2loy-validation-full.cif

data_2LOY-validation-full
# 
_entity.id                         1 
_entity.formula_weight             21642.564 
_entity.pdbx_description           
'Translationally-controlled tumor protein homolog' 
_entity.pdbx_number_of_molecules   1 
_entity.src_method                 man 
_entity.type                       polymer 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        TCTP 
# 
_entity_poly.entity_id                      1 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MLIYKDIFTDDELSSDSFPMKLVDDLVYEFKGKHVVRKEGEIVLAGSNPSAEEGAEDDGSDEHVERGIDIVLNHKLVEMN
CYEDASMFKAYIKKFMKNVIDHMEKNNRDKADVDAFKKKIQGWVVSLLAKDRFKNLAFFIGERAAEGAENGQVAIIEYRD
VDGTEVPTLMLVKEAIIEEKCLEHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MLIYKDIFTDDELSSDSFPMKLVDDLVYEFKGKHVVRKEGEIVLAGSNPSAEEGAEDDGSDEHVERGIDIVLNHKLVEMN
CYEDASMFKAYIKKFMKNVIDHMEKNNRDKADVDAFKKKIQGWVVSLLAKDRFKNLAFFIGERAAEGAENGQVAIIEYRD
VDGTEVPTLMLVKEAIIEEKCLEHHHHHH
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         NESG-WR73 
_entity_poly.type                           'polypeptide(L)' 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.mon_id 
_entity_poly_seq.num 
_entity_poly_seq.hetero 
1 MET 1   n 
1 LEU 2   n 
1 ILE 3   n 
1 TYR 4   n 
1 LYS 5   n 
1 ASP 6   n 
1 ILE 7   n 
1 PHE 8   n 
1 THR 9   n 
1 ASP 10  n 
1 ASP 11  n 
1 GLU 12  n 
1 LEU 13  n 
1 SER 14  n 
1 SER 15  n 
1 ASP 16  n 
1 SER 17  n 
1 PHE 18  n 
1 PRO 19  n 
1 MET 20  n 
1 LYS 21  n 
1 LEU 22  n 
1 VAL 23  n 
1 ASP 24  n 
1 ASP 25  n 
1 LEU 26  n 
1 VAL 27  n 
1 TYR 28  n 
1 GLU 29  n 
1 PHE 30  n 
1 LYS 31  n 
1 GLY 32  n 
1 LYS 33  n 
1 HIS 34  n 
1 VAL 35  n 
1 VAL 36  n 
1 ARG 37  n 
1 LYS 38  n 
1 GLU 39  n 
1 GLY 40  n 
1 GLU 41  n 
1 ILE 42  n 
1 VAL 43  n 
1 LEU 44  n 
1 ALA 45  n 
1 GLY 46  n 
1 SER 47  n 
1 ASN 48  n 
1 PRO 49  n 
1 SER 50  n 
1 ALA 51  n 
1 GLU 52  n 
1 GLU 53  n 
1 GLY 54  n 
1 ALA 55  n 
1 GLU 56  n 
1 ASP 57  n 
1 ASP 58  n 
1 GLY 59  n 
1 SER 60  n 
1 ASP 61  n 
1 GLU 62  n 
1 HIS 63  n 
1 VAL 64  n 
1 GLU 65  n 
1 ARG 66  n 
1 GLY 67  n 
1 ILE 68  n 
1 ASP 69  n 
1 ILE 70  n 
1 VAL 71  n 
1 LEU 72  n 
1 ASN 73  n 
1 HIS 74  n 
1 LYS 75  n 
1 LEU 76  n 
1 VAL 77  n 
1 GLU 78  n 
1 MET 79  n 
1 ASN 80  n 
1 CYS 81  n 
1 TYR 82  n 
1 GLU 83  n 
1 ASP 84  n 
1 ALA 85  n 
1 SER 86  n 
1 MET 87  n 
1 PHE 88  n 
1 LYS 89  n 
1 ALA 90  n 
1 TYR 91  n 
1 ILE 92  n 
1 LYS 93  n 
1 LYS 94  n 
1 PHE 95  n 
1 MET 96  n 
1 LYS 97  n 
1 ASN 98  n 
1 VAL 99  n 
1 ILE 100 n 
1 ASP 101 n 
1 HIS 102 n 
1 MET 103 n 
1 GLU 104 n 
1 LYS 105 n 
1 ASN 106 n 
1 ASN 107 n 
1 ARG 108 n 
1 ASP 109 n 
1 LYS 110 n 
1 ALA 111 n 
1 ASP 112 n 
1 VAL 113 n 
1 ASP 114 n 
1 ALA 115 n 
1 PHE 116 n 
1 LYS 117 n 
1 LYS 118 n 
1 LYS 119 n 
1 ILE 120 n 
1 GLN 121 n 
1 GLY 122 n 
1 TRP 123 n 
1 VAL 124 n 
1 VAL 125 n 
1 SER 126 n 
1 LEU 127 n 
1 LEU 128 n 
1 ALA 129 n 
1 LYS 130 n 
1 ASP 131 n 
1 ARG 132 n 
1 PHE 133 n 
1 LYS 134 n 
1 ASN 135 n 
1 LEU 136 n 
1 ALA 137 n 
1 PHE 138 n 
1 PHE 139 n 
1 ILE 140 n 
1 GLY 141 n 
1 GLU 142 n 
1 ARG 143 n 
1 ALA 144 n 
1 ALA 145 n 
1 GLU 146 n 
1 GLY 147 n 
1 ALA 148 n 
1 GLU 149 n 
1 ASN 150 n 
1 GLY 151 n 
1 GLN 152 n 
1 VAL 153 n 
1 ALA 154 n 
1 ILE 155 n 
1 ILE 156 n 
1 GLU 157 n 
1 TYR 158 n 
1 ARG 159 n 
1 ASP 160 n 
1 VAL 161 n 
1 ASP 162 n 
1 GLY 163 n 
1 THR 164 n 
1 GLU 165 n 
1 VAL 166 n 
1 PRO 167 n 
1 THR 168 n 
1 LEU 169 n 
1 MET 170 n 
1 LEU 171 n 
1 VAL 172 n 
1 LYS 173 n 
1 GLU 174 n 
1 ALA 175 n 
1 ILE 176 n 
1 ILE 177 n 
1 GLU 178 n 
1 GLU 179 n 
1 LYS 180 n 
1 CYS 181 n 
1 LEU 182 n 
1 GLU 183 n 
1 HIS 184 n 
1 HIS 185 n 
1 HIS 186 n 
1 HIS 187 n 
1 HIS 188 n 
1 HIS 189 n 
# 
_entry.id   2LOY 
# 
_exptl.entry_id   2LOY 
_exptl.method     'SOLUTION NMR' 
_exptl.details    
'Refinement of minimal constraint structure with residual dipolar couplings' 
# 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
# 
loop_
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.group 
'Structure model' 1 2 'Database references' 
'Structure model' 2 3 'Database references' 
# 
loop_
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
'Structure model' 1 1 0 2012-02-15 
'Structure model' 2 1 1 2012-06-27 
'Structure model' 3 1 2 2012-07-25 
# 
loop_
_pdbx_database_related.content_type 
_pdbx_database_related.db_id 
_pdbx_database_related.db_name 
_pdbx_database_related.details 
unspecified 2KWB      PDB         'Original minimal constraint structure' 
unspecified 16833     BMRB        ?                                       
unspecified NESG-WR73 TargetTrack ?                                       
# 
_pdbx_database_status.entry_id                        2LOY 
_pdbx_database_status.SG_entry                        Y 
_pdbx_database_status.deposit_site                    BMRB 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.recvd_initial_deposition_date   2012-01-27 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_cs                  REL 
_pdbx_database_status.status_code_mr                  REL 
_pdbx_database_status.validation_created_date         2021-01-26 
# 
_pdbx_nmr_constraints.entry_id                2LOY 
_pdbx_nmr_constraints.NOE_constraints_total   970 
# 
_pdbx_nmr_details.entry_id   2LOY 
_pdbx_nmr_details.text       
;THE PROTEIN IS MONOMERIC AT 298 K BY 15N T1/T2 RELAXATION AND STATIC LIGHT SCATTERING. THE STRUCTURE IS A MINIMAL CONSTRAINT STRUCTURE DETERMINED USING TRIPLE RESONANCE NMR SPECTROSCOPY. ALL NOESY DATA WERE ACQUIRED AT 800 MHZ USING A 5-MM CRYOPROBE. BACKBONE ASSIGNMENTS WERE MADE USING PINE, AND THE SIDE CHAIN METHYL ASSIGNMENTS WERE COMPLETED MANUALLY. AUTOMATIC NOESY ASSIGNMENTS WERE DETERMINED USING CYANA 3.0. BACKBONE (PHI/PSI) DIHEDRAL ANGLE CONSTRAINTS WERE OBTAINED FROM TALOSplus. FINAL STRUCTURE QUALITY FACTORS (FOR RESIDUE NUMBERS 1 TO 183, PSVS 1.4), WHERE ORDERED RESIDUES [S(PHI) + S(PSI) > 1.8] COMPRISE: 2-12,18-38,66-106,111-146,152-162,164-181: (A) RMSD (ORDERED RESIDUES): BB, 1.0, HEAVY ATOM, 1.6. (B) MOLPROBITY RAMACHANDRAN STATISTICS FOR ORDERED RESIDUES: MOST FAVORED, 96.8%, ALLOWED, 2.9%, DISALLOWED, 0.2%. (C) PROCHECK SCORES FOR ORDERED RESIDUES (RAW/Z-): PHI-PSI, -0.28/-0.79, ALL, -0.26/-1.54. (D) MOLPROBITY CLASH SCORE (RAW/Z-): 15.30/-1.10 (E) NUMBER OF CLOSE CONTACTS PER 20 MODELS: 40. (F) AGREEMENT WITH N-H RESIDUAL DIPOLAR COUPLINGS: CORRELATION COEFFICIENT (R): 0.985; Qrms: 0.171. THE C-TERMINAL HIS TAG RESIDUES OF THE PROTEIN (HHHHHH) WERE NOT INCLUDED IN THE STRUCTURE CALCULATIONS AND HAVE BEEN OMITTED FROM THIS DEPOSITION. COORDINATES FOR THE FOLLOWING RESIDUES ARE NOT WELL DETERMINED [S(PHI) + S(PSI) < 1.8]: 1,13-17,39-65,107-110,147-151,163,182-183.
;
# 
_pdbx_nmr_ensemble.entry_id                             2LOY 
_pdbx_nmr_ensemble.conformer_selection_criteria         
'structures with the lowest energy' 
_pdbx_nmr_ensemble.conformers_calculated_total_number   100 
_pdbx_nmr_ensemble.conformers_submitted_total_number    20 
_pdbx_nmr_ensemble.atom_consistency_flag                Y 
# 
loop_
_pdbx_nmr_exptl.conditions_id 
_pdbx_nmr_exptl.experiment_id 
_pdbx_nmr_exptl.solution_id 
_pdbx_nmr_exptl.type 
1 1  1 '2D 1H-15N HSQC'                 
1 2  1 '2D 1H-15N TROSY-HSQC'           
1 3  1 '2D 1H-13C HSQC aliphatic'       
1 4  1 '3D HNCO'                        
1 5  1 '3D HN(CA)CO'                    
1 6  1 '3D TROSY-HNCACB'                
1 7  1 '3D TROSY-HN(CO)CACB'            
1 8  1 '3D 1H-15N NOESY'                
1 9  1 '3D 1H-13C NOESY aliphatic'      
1 10 1 '3D 15N-15N-1H NOESY'            
1 11 1 '3D 13C-13C-1H NOESY'            
1 12 1 '3D 15N-13C-1H NOESY'            
1 13 1 '3D 13C-15N-1H NOESY'            
1 14 1 '3D C(CO)NH TOCSY'               
1 15 2 '2D 1H-13C HSQC high resolution' 
1 16 3 'NH J-MODULATION (RDC)'          
# 
loop_
_pdbx_nmr_exptl_sample.component 
_pdbx_nmr_exptl_sample.solution_id 
_pdbx_nmr_exptl_sample.concentration 
_pdbx_nmr_exptl_sample.concentration_units 
_pdbx_nmr_exptl_sample.isotopic_labeling 
WR73.009-1                 1 0.822 mM 
'[U-100% 13C; U-100% 15N; U-100% 2H; ILVFY-1H]' 
NaN3-2                     1 0.02  %  ? 
DTT-3                      1 10    mM ? 
CaCL2-4                    1 5     mM ? 
NaCL-5                     1 100   mM ? 
'Proteinase Inhibitors-6'  1 1     %  ? 
'MES pH 6.5-7'             1 20    mM ? 
D2O-8                      1 10    %  ? 
DSS-9                      1 50    uM ? 
WR73.004-10                2 0.85  mM '[U-5% 13C; U-100% 15N]' 
NaN3-11                    2 0.02  %  ? 
DTT-12                     2 10    mM ? 
CaCL2-13                   2 5     mM ? 
NaCL-14                    2 100   mM ? 
'Proteinase Inhibitors-15' 2 1     %  ? 
'MES pH 6.5-16'            2 20    mM ? 
D2O-17                     2 10    %  ? 
DSS-18                     2 50    uM ? 
# 
_pdbx_nmr_exptl_sample_conditions.conditions_id       1 
_pdbx_nmr_exptl_sample_conditions.pH                  6.5 
_pdbx_nmr_exptl_sample_conditions.pressure            ambient 
_pdbx_nmr_exptl_sample_conditions.temperature         298 
_pdbx_nmr_exptl_sample_conditions.temperature_units   K 
# 
_pdbx_nmr_refine.entry_id           2LOY 
_pdbx_nmr_refine.software_ordinal   1 
_pdbx_nmr_refine.details            
;THE FINAL RDC-REFINED MINIMAL CONSTRAINT STRUCTURES ARE BASED ON A TOTAL OF 970 CONFORMATIONALLY-RESTRICTING DISTANCE CONSTRAINTS, 293 DIHEDRAL ANGLE CONSTRAINTS, 126 HYDROGEN BOND CONSTRAINTS, and 99 N-H RESIDUAL DIPOLAR COUPLINGS FROM A SINGLE ALIGNMENT IN PHAGE. (7.7 CONSTRAINTS PER RESIDUE, 2.3 LONG RANGE CONSTRAINTS PER RESIDUE, COMPUTED FOR RESIDUES 1 TO 183 BY PSVS 1.4). STRUCTURE DETERMINATION WAS PERFORMED ITERATIVELY USING CYANA 3.0. THE 20 FINAL STRUCTURES OUT OF 100 WITH THE LOWEST TARGET FUNCTION WERE FURTHER REFINED BY RESTRAINED MOLECULAR DYNAMICS/ENERGY MINIMIZATION IN EXPLICIT WATER (CNS) WITH PARAM19.
;
_pdbx_nmr_refine.method             'simulated annealing' 
# 
_pdbx_nmr_representative.entry_id             2LOY 
_pdbx_nmr_representative.conformer_id         1 
_pdbx_nmr_representative.selection_criteria   'lowest energy' 
# 
loop_
_pdbx_nmr_software.ordinal 
_pdbx_nmr_software.authors 
_pdbx_nmr_software.classification 
_pdbx_nmr_software.name 
_pdbx_nmr_software.version 
1  'Brunger, Adams, Clore, Gros, Nilges and Read'      refinement CNS        
1.3  
2  'Brunger, Adams, Clore, Gros, Nilges and Read'      'structure solution' 
CNS        1.3  
3  'Brunger, Adams, Clore, Gros, Nilges and Read'      'geometry optimization' 
CNS        1.3  
4  'Guntert, Mumenthaler and Wuthrich'                 'structure solution' 
CYANA      3.0  
5  'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' processing NMRPipe    
2.3  
6  'Bruker Biospin'                                    'data collection' 
TOPSPIN    2.1  
7  Varian                                              'data collection' VNMRJ 
?    
8  'Bahrami, Markley, Assadi, and Eghbalnia'           
'chemical shift assignment'  PINE       1.0  
9  Goddard                                             'data analysis' SPARKY 
3    
10 Goddard                                             'peak picking' SPARKY 3 
11 'Shen, Cornilescu, Delaglio and Bax'                
'dihedral angle constraints' TALOS+     ?    
12 'PALES (Zweckstetter, Bax)'                         'rdc analysis' PALES ? 
13 'Bhattacharya, Montelione'                          'structure validation' 
PSVS       1.4  
14 'Bhattacharya, Montelione'                          'quality assessment' 
PSVS       1.4  
15 'Tejero, Montelione'                                'data analysis' PdbStat 
5.5  
16 Richardson                                          'structure validation' 
MolProbity 3.19 
17 Richardson                                          'quality assessment' 
MolProbity 3.19 
# 
loop_
_pdbx_nmr_spectrometer.spectrometer_id 
_pdbx_nmr_spectrometer.field_strength 
_pdbx_nmr_spectrometer.manufacturer 
_pdbx_nmr_spectrometer.model 
_pdbx_nmr_spectrometer.type 
1 800 Bruker Avance 'Bruker Avance' 
2 600 Varian INOVA  'Varian INOVA'  
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.hetero 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.pdb_strand_id 
A 1 MET 1   MET 1   n 1   ? MET 1   A 
A 1 LEU 2   LEU 2   n 2   ? LEU 2   A 
A 1 ILE 3   ILE 3   n 3   ? ILE 3   A 
A 1 TYR 4   TYR 4   n 4   ? TYR 4   A 
A 1 LYS 5   LYS 5   n 5   ? LYS 5   A 
A 1 ASP 6   ASP 6   n 6   ? ASP 6   A 
A 1 ILE 7   ILE 7   n 7   ? ILE 7   A 
A 1 PHE 8   PHE 8   n 8   ? PHE 8   A 
A 1 THR 9   THR 9   n 9   ? THR 9   A 
A 1 ASP 10  ASP 10  n 10  ? ASP 10  A 
A 1 ASP 11  ASP 11  n 11  ? ASP 11  A 
A 1 GLU 12  GLU 12  n 12  ? GLU 12  A 
A 1 LEU 13  LEU 13  n 13  ? LEU 13  A 
A 1 SER 14  SER 14  n 14  ? SER 14  A 
A 1 SER 15  SER 15  n 15  ? SER 15  A 
A 1 ASP 16  ASP 16  n 16  ? ASP 16  A 
A 1 SER 17  SER 17  n 17  ? SER 17  A 
A 1 PHE 18  PHE 18  n 18  ? PHE 18  A 
A 1 PRO 19  PRO 19  n 19  ? PRO 19  A 
A 1 MET 20  MET 20  n 20  ? MET 20  A 
A 1 LYS 21  LYS 21  n 21  ? LYS 21  A 
A 1 LEU 22  LEU 22  n 22  ? LEU 22  A 
A 1 VAL 23  VAL 23  n 23  ? VAL 23  A 
A 1 ASP 24  ASP 24  n 24  ? ASP 24  A 
A 1 ASP 25  ASP 25  n 25  ? ASP 25  A 
A 1 LEU 26  LEU 26  n 26  ? LEU 26  A 
A 1 VAL 27  VAL 27  n 27  ? VAL 27  A 
A 1 TYR 28  TYR 28  n 28  ? TYR 28  A 
A 1 GLU 29  GLU 29  n 29  ? GLU 29  A 
A 1 PHE 30  PHE 30  n 30  ? PHE 30  A 
A 1 LYS 31  LYS 31  n 31  ? LYS 31  A 
A 1 GLY 32  GLY 32  n 32  ? GLY 32  A 
A 1 LYS 33  LYS 33  n 33  ? LYS 33  A 
A 1 HIS 34  HIS 34  n 34  ? HIS 34  A 
A 1 VAL 35  VAL 35  n 35  ? VAL 35  A 
A 1 VAL 36  VAL 36  n 36  ? VAL 36  A 
A 1 ARG 37  ARG 37  n 37  ? ARG 37  A 
A 1 LYS 38  LYS 38  n 38  ? LYS 38  A 
A 1 GLU 39  GLU 39  n 39  ? GLU 39  A 
A 1 GLY 40  GLY 40  n 40  ? GLY 40  A 
A 1 GLU 41  GLU 41  n 41  ? GLU 41  A 
A 1 ILE 42  ILE 42  n 42  ? ILE 42  A 
A 1 VAL 43  VAL 43  n 43  ? VAL 43  A 
A 1 LEU 44  LEU 44  n 44  ? LEU 44  A 
A 1 ALA 45  ALA 45  n 45  ? ALA 45  A 
A 1 GLY 46  GLY 46  n 46  ? GLY 46  A 
A 1 SER 47  SER 47  n 47  ? SER 47  A 
A 1 ASN 48  ASN 48  n 48  ? ASN 48  A 
A 1 PRO 49  PRO 49  n 49  ? PRO 49  A 
A 1 SER 50  SER 50  n 50  ? SER 50  A 
A 1 ALA 51  ALA 51  n 51  ? ALA 51  A 
A 1 GLU 52  GLU 52  n 52  ? GLU 52  A 
A 1 GLU 53  GLU 53  n 53  ? GLU 53  A 
A 1 GLY 54  GLY 54  n 54  ? GLY 54  A 
A 1 ALA 55  ALA 55  n 55  ? ALA 55  A 
A 1 GLU 56  GLU 56  n 56  ? GLU 56  A 
A 1 ASP 57  ASP 57  n 57  ? ASP 57  A 
A 1 ASP 58  ASP 58  n 58  ? ASP 58  A 
A 1 GLY 59  GLY 59  n 59  ? GLY 59  A 
A 1 SER 60  SER 60  n 60  ? SER 60  A 
A 1 ASP 61  ASP 61  n 61  ? ASP 61  A 
A 1 GLU 62  GLU 62  n 62  ? GLU 62  A 
A 1 HIS 63  HIS 63  n 63  ? HIS 63  A 
A 1 VAL 64  VAL 64  n 64  ? VAL 64  A 
A 1 GLU 65  GLU 65  n 65  ? GLU 65  A 
A 1 ARG 66  ARG 66  n 66  ? ARG 66  A 
A 1 GLY 67  GLY 67  n 67  ? GLY 67  A 
A 1 ILE 68  ILE 68  n 68  ? ILE 68  A 
A 1 ASP 69  ASP 69  n 69  ? ASP 69  A 
A 1 ILE 70  ILE 70  n 70  ? ILE 70  A 
A 1 VAL 71  VAL 71  n 71  ? VAL 71  A 
A 1 LEU 72  LEU 72  n 72  ? LEU 72  A 
A 1 ASN 73  ASN 73  n 73  ? ASN 73  A 
A 1 HIS 74  HIS 74  n 74  ? HIS 74  A 
A 1 LYS 75  LYS 75  n 75  ? LYS 75  A 
A 1 LEU 76  LEU 76  n 76  ? LEU 76  A 
A 1 VAL 77  VAL 77  n 77  ? VAL 77  A 
A 1 GLU 78  GLU 78  n 78  ? GLU 78  A 
A 1 MET 79  MET 79  n 79  ? MET 79  A 
A 1 ASN 80  ASN 80  n 80  ? ASN 80  A 
A 1 CYS 81  CYS 81  n 81  ? CYS 81  A 
A 1 TYR 82  TYR 82  n 82  ? TYR 82  A 
A 1 GLU 83  GLU 83  n 83  ? GLU 83  A 
A 1 ASP 84  ASP 84  n 84  ? ASP 84  A 
A 1 ALA 85  ALA 85  n 85  ? ALA 85  A 
A 1 SER 86  SER 86  n 86  ? SER 86  A 
A 1 MET 87  MET 87  n 87  ? MET 87  A 
A 1 PHE 88  PHE 88  n 88  ? PHE 88  A 
A 1 LYS 89  LYS 89  n 89  ? LYS 89  A 
A 1 ALA 90  ALA 90  n 90  ? ALA 90  A 
A 1 TYR 91  TYR 91  n 91  ? TYR 91  A 
A 1 ILE 92  ILE 92  n 92  ? ILE 92  A 
A 1 LYS 93  LYS 93  n 93  ? LYS 93  A 
A 1 LYS 94  LYS 94  n 94  ? LYS 94  A 
A 1 PHE 95  PHE 95  n 95  ? PHE 95  A 
A 1 MET 96  MET 96  n 96  ? MET 96  A 
A 1 LYS 97  LYS 97  n 97  ? LYS 97  A 
A 1 ASN 98  ASN 98  n 98  ? ASN 98  A 
A 1 VAL 99  VAL 99  n 99  ? VAL 99  A 
A 1 ILE 100 ILE 100 n 100 ? ILE 100 A 
A 1 ASP 101 ASP 101 n 101 ? ASP 101 A 
A 1 HIS 102 HIS 102 n 102 ? HIS 102 A 
A 1 MET 103 MET 103 n 103 ? MET 103 A 
A 1 GLU 104 GLU 104 n 104 ? GLU 104 A 
A 1 LYS 105 LYS 105 n 105 ? LYS 105 A 
A 1 ASN 106 ASN 106 n 106 ? ASN 106 A 
A 1 ASN 107 ASN 107 n 107 ? ASN 107 A 
A 1 ARG 108 ARG 108 n 108 ? ARG 108 A 
A 1 ASP 109 ASP 109 n 109 ? ASP 109 A 
A 1 LYS 110 LYS 110 n 110 ? LYS 110 A 
A 1 ALA 111 ALA 111 n 111 ? ALA 111 A 
A 1 ASP 112 ASP 112 n 112 ? ASP 112 A 
A 1 VAL 113 VAL 113 n 113 ? VAL 113 A 
A 1 ASP 114 ASP 114 n 114 ? ASP 114 A 
A 1 ALA 115 ALA 115 n 115 ? ALA 115 A 
A 1 PHE 116 PHE 116 n 116 ? PHE 116 A 
A 1 LYS 117 LYS 117 n 117 ? LYS 117 A 
A 1 LYS 118 LYS 118 n 118 ? LYS 118 A 
A 1 LYS 119 LYS 119 n 119 ? LYS 119 A 
A 1 ILE 120 ILE 120 n 120 ? ILE 120 A 
A 1 GLN 121 GLN 121 n 121 ? GLN 121 A 
A 1 GLY 122 GLY 122 n 122 ? GLY 122 A 
A 1 TRP 123 TRP 123 n 123 ? TRP 123 A 
A 1 VAL 124 VAL 124 n 124 ? VAL 124 A 
A 1 VAL 125 VAL 125 n 125 ? VAL 125 A 
A 1 SER 126 SER 126 n 126 ? SER 126 A 
A 1 LEU 127 LEU 127 n 127 ? LEU 127 A 
A 1 LEU 128 LEU 128 n 128 ? LEU 128 A 
A 1 ALA 129 ALA 129 n 129 ? ALA 129 A 
A 1 LYS 130 LYS 130 n 130 ? LYS 130 A 
A 1 ASP 131 ASP 131 n 131 ? ASP 131 A 
A 1 ARG 132 ARG 132 n 132 ? ARG 132 A 
A 1 PHE 133 PHE 133 n 133 ? PHE 133 A 
A 1 LYS 134 LYS 134 n 134 ? LYS 134 A 
A 1 ASN 135 ASN 135 n 135 ? ASN 135 A 
A 1 LEU 136 LEU 136 n 136 ? LEU 136 A 
A 1 ALA 137 ALA 137 n 137 ? ALA 137 A 
A 1 PHE 138 PHE 138 n 138 ? PHE 138 A 
A 1 PHE 139 PHE 139 n 139 ? PHE 139 A 
A 1 ILE 140 ILE 140 n 140 ? ILE 140 A 
A 1 GLY 141 GLY 141 n 141 ? GLY 141 A 
A 1 GLU 142 GLU 142 n 142 ? GLU 142 A 
A 1 ARG 143 ARG 143 n 143 ? ARG 143 A 
A 1 ALA 144 ALA 144 n 144 ? ALA 144 A 
A 1 ALA 145 ALA 145 n 145 ? ALA 145 A 
A 1 GLU 146 GLU 146 n 146 ? GLU 146 A 
A 1 GLY 147 GLY 147 n 147 ? GLY 147 A 
A 1 ALA 148 ALA 148 n 148 ? ALA 148 A 
A 1 GLU 149 GLU 149 n 149 ? GLU 149 A 
A 1 ASN 150 ASN 150 n 150 ? ASN 150 A 
A 1 GLY 151 GLY 151 n 151 ? GLY 151 A 
A 1 GLN 152 GLN 152 n 152 ? GLN 152 A 
A 1 VAL 153 VAL 153 n 153 ? VAL 153 A 
A 1 ALA 154 ALA 154 n 154 ? ALA 154 A 
A 1 ILE 155 ILE 155 n 155 ? ILE 155 A 
A 1 ILE 156 ILE 156 n 156 ? ILE 156 A 
A 1 GLU 157 GLU 157 n 157 ? GLU 157 A 
A 1 TYR 158 TYR 158 n 158 ? TYR 158 A 
A 1 ARG 159 ARG 159 n 159 ? ARG 159 A 
A 1 ASP 160 ASP 160 n 160 ? ASP 160 A 
A 1 VAL 161 VAL 161 n 161 ? VAL 161 A 
A 1 ASP 162 ASP 162 n 162 ? ASP 162 A 
A 1 GLY 163 GLY 163 n 163 ? GLY 163 A 
A 1 THR 164 THR 164 n 164 ? THR 164 A 
A 1 GLU 165 GLU 165 n 165 ? GLU 165 A 
A 1 VAL 166 VAL 166 n 166 ? VAL 166 A 
A 1 PRO 167 PRO 167 n 167 ? PRO 167 A 
A 1 THR 168 THR 168 n 168 ? THR 168 A 
A 1 LEU 169 LEU 169 n 169 ? LEU 169 A 
A 1 MET 170 MET 170 n 170 ? MET 170 A 
A 1 LEU 171 LEU 171 n 171 ? LEU 171 A 
A 1 VAL 172 VAL 172 n 172 ? VAL 172 A 
A 1 LYS 173 LYS 173 n 173 ? LYS 173 A 
A 1 GLU 174 GLU 174 n 174 ? GLU 174 A 
A 1 ALA 175 ALA 175 n 175 ? ALA 175 A 
A 1 ILE 176 ILE 176 n 176 ? ILE 176 A 
A 1 ILE 177 ILE 177 n 177 ? ILE 177 A 
A 1 GLU 178 GLU 178 n 178 ? GLU 178 A 
A 1 GLU 179 GLU 179 n 179 ? GLU 179 A 
A 1 LYS 180 LYS 180 n 180 ? LYS 180 A 
A 1 CYS 181 CYS 181 n 181 ? CYS 181 A 
A 1 LEU 182 LEU 182 n 182 ? LEU 182 A 
A 1 GLU 183 GLU 183 n 183 ? GLU 183 A 
A 1 HIS 184 ?   ?   n 184 ? ?   184 A 
A 1 HIS 185 ?   ?   n 185 ? ?   185 A 
A 1 HIS 186 ?   ?   n 186 ? ?   186 A 
A 1 HIS 187 ?   ?   n 187 ? ?   187 A 
A 1 HIS 188 ?   ?   n 188 ? ?   188 A 
A 1 HIS 189 ?   ?   n 189 ? ?   189 A 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.oligomeric_count     1 
_pdbx_struct_assembly.oligomeric_details   monomeric 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.asym_id_list      A 
_pdbx_struct_assembly_gen.oper_expression   1 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
1 2 A A O ASP 16  A O ASP 16  A N LEU 2   A N LEU 2   
2 3 A A N ILE 3   A N ILE 3   A O GLU 179 A O GLU 179 
1 2 B A N VAL 23  A N VAL 23  A O VAL 27  A O VAL 27  
2 3 B A N PHE 30  A N PHE 30  A O LEU 169 A O LEU 169 
3 4 B A O VAL 166 A O VAL 166 A N ARG 159 A N ARG 159 
4 5 B A O ALA 154 A O ALA 154 A N PHE 139 A N PHE 139 
5 6 B A O PHE 138 A O PHE 138 A N MET 79  A N MET 79  
1 2 C A N ARG 37  A N ARG 37  A O GLU 65  A O GLU 65  
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
1   1  A HIS 184 A HIS 184 1 Y 
2   1  A HIS 185 A HIS 185 1 Y 
3   1  A HIS 186 A HIS 186 1 Y 
4   1  A HIS 187 A HIS 187 1 Y 
5   1  A HIS 188 A HIS 188 1 Y 
6   1  A HIS 189 A HIS 189 1 Y 
7   2  A HIS 184 A HIS 184 1 Y 
8   2  A HIS 185 A HIS 185 1 Y 
9   2  A HIS 186 A HIS 186 1 Y 
10  2  A HIS 187 A HIS 187 1 Y 
11  2  A HIS 188 A HIS 188 1 Y 
12  2  A HIS 189 A HIS 189 1 Y 
13  3  A HIS 184 A HIS 184 1 Y 
14  3  A HIS 185 A HIS 185 1 Y 
15  3  A HIS 186 A HIS 186 1 Y 
16  3  A HIS 187 A HIS 187 1 Y 
17  3  A HIS 188 A HIS 188 1 Y 
18  3  A HIS 189 A HIS 189 1 Y 
19  4  A HIS 184 A HIS 184 1 Y 
20  4  A HIS 185 A HIS 185 1 Y 
21  4  A HIS 186 A HIS 186 1 Y 
22  4  A HIS 187 A HIS 187 1 Y 
23  4  A HIS 188 A HIS 188 1 Y 
24  4  A HIS 189 A HIS 189 1 Y 
25  5  A HIS 184 A HIS 184 1 Y 
26  5  A HIS 185 A HIS 185 1 Y 
27  5  A HIS 186 A HIS 186 1 Y 
28  5  A HIS 187 A HIS 187 1 Y 
29  5  A HIS 188 A HIS 188 1 Y 
30  5  A HIS 189 A HIS 189 1 Y 
31  6  A HIS 184 A HIS 184 1 Y 
32  6  A HIS 185 A HIS 185 1 Y 
33  6  A HIS 186 A HIS 186 1 Y 
34  6  A HIS 187 A HIS 187 1 Y 
35  6  A HIS 188 A HIS 188 1 Y 
36  6  A HIS 189 A HIS 189 1 Y 
37  7  A HIS 184 A HIS 184 1 Y 
38  7  A HIS 185 A HIS 185 1 Y 
39  7  A HIS 186 A HIS 186 1 Y 
40  7  A HIS 187 A HIS 187 1 Y 
41  7  A HIS 188 A HIS 188 1 Y 
42  7  A HIS 189 A HIS 189 1 Y 
43  8  A HIS 184 A HIS 184 1 Y 
44  8  A HIS 185 A HIS 185 1 Y 
45  8  A HIS 186 A HIS 186 1 Y 
46  8  A HIS 187 A HIS 187 1 Y 
47  8  A HIS 188 A HIS 188 1 Y 
48  8  A HIS 189 A HIS 189 1 Y 
49  9  A HIS 184 A HIS 184 1 Y 
50  9  A HIS 185 A HIS 185 1 Y 
51  9  A HIS 186 A HIS 186 1 Y 
52  9  A HIS 187 A HIS 187 1 Y 
53  9  A HIS 188 A HIS 188 1 Y 
54  9  A HIS 189 A HIS 189 1 Y 
55  10 A HIS 184 A HIS 184 1 Y 
56  10 A HIS 185 A HIS 185 1 Y 
57  10 A HIS 186 A HIS 186 1 Y 
58  10 A HIS 187 A HIS 187 1 Y 
59  10 A HIS 188 A HIS 188 1 Y 
60  10 A HIS 189 A HIS 189 1 Y 
61  11 A HIS 184 A HIS 184 1 Y 
62  11 A HIS 185 A HIS 185 1 Y 
63  11 A HIS 186 A HIS 186 1 Y 
64  11 A HIS 187 A HIS 187 1 Y 
65  11 A HIS 188 A HIS 188 1 Y 
66  11 A HIS 189 A HIS 189 1 Y 
67  12 A HIS 184 A HIS 184 1 Y 
68  12 A HIS 185 A HIS 185 1 Y 
69  12 A HIS 186 A HIS 186 1 Y 
70  12 A HIS 187 A HIS 187 1 Y 
71  12 A HIS 188 A HIS 188 1 Y 
72  12 A HIS 189 A HIS 189 1 Y 
73  13 A HIS 184 A HIS 184 1 Y 
74  13 A HIS 185 A HIS 185 1 Y 
75  13 A HIS 186 A HIS 186 1 Y 
76  13 A HIS 187 A HIS 187 1 Y 
77  13 A HIS 188 A HIS 188 1 Y 
78  13 A HIS 189 A HIS 189 1 Y 
79  14 A HIS 184 A HIS 184 1 Y 
80  14 A HIS 185 A HIS 185 1 Y 
81  14 A HIS 186 A HIS 186 1 Y 
82  14 A HIS 187 A HIS 187 1 Y 
83  14 A HIS 188 A HIS 188 1 Y 
84  14 A HIS 189 A HIS 189 1 Y 
85  15 A HIS 184 A HIS 184 1 Y 
86  15 A HIS 185 A HIS 185 1 Y 
87  15 A HIS 186 A HIS 186 1 Y 
88  15 A HIS 187 A HIS 187 1 Y 
89  15 A HIS 188 A HIS 188 1 Y 
90  15 A HIS 189 A HIS 189 1 Y 
91  16 A HIS 184 A HIS 184 1 Y 
92  16 A HIS 185 A HIS 185 1 Y 
93  16 A HIS 186 A HIS 186 1 Y 
94  16 A HIS 187 A HIS 187 1 Y 
95  16 A HIS 188 A HIS 188 1 Y 
96  16 A HIS 189 A HIS 189 1 Y 
97  17 A HIS 184 A HIS 184 1 Y 
98  17 A HIS 185 A HIS 185 1 Y 
99  17 A HIS 186 A HIS 186 1 Y 
100 17 A HIS 187 A HIS 187 1 Y 
101 17 A HIS 188 A HIS 188 1 Y 
102 17 A HIS 189 A HIS 189 1 Y 
103 18 A HIS 184 A HIS 184 1 Y 
104 18 A HIS 185 A HIS 185 1 Y 
105 18 A HIS 186 A HIS 186 1 Y 
106 18 A HIS 187 A HIS 187 1 Y 
107 18 A HIS 188 A HIS 188 1 Y 
108 18 A HIS 189 A HIS 189 1 Y 
109 19 A HIS 184 A HIS 184 1 Y 
110 19 A HIS 185 A HIS 185 1 Y 
111 19 A HIS 186 A HIS 186 1 Y 
112 19 A HIS 187 A HIS 187 1 Y 
113 19 A HIS 188 A HIS 188 1 Y 
114 19 A HIS 189 A HIS 189 1 Y 
115 20 A HIS 184 A HIS 184 1 Y 
116 20 A HIS 185 A HIS 185 1 Y 
117 20 A HIS 186 A HIS 186 1 Y 
118 20 A HIS 187 A HIS 187 1 Y 
119 20 A HIS 188 A HIS 188 1 Y 
120 20 A HIS 189 A HIS 189 1 Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1   1  A SER 15  172.88  89.96   
2   1  A SER 17  -68.88  65.11   
3   1  A LEU 26  -134.74 -50.21  
4   1  A GLU 41  -174.90 105.00  
5   1  A PRO 49  -67.57  92.49   
6   1  A GLU 52  -99.20  -70.32  
7   1  A ALA 55  -90.89  39.18   
8   1  A GLU 62  -106.27 54.10   
9   1  A GLU 65  -69.62  74.52   
10  1  A LYS 75  66.71   70.14   
11  1  A ARG 108 74.86   -30.49  
12  1  A LYS 110 79.99   -2.55   
13  1  A LYS 134 -50.56  -9.48   
14  2  A SER 15  172.30  81.87   
15  2  A SER 17  -67.80  88.35   
16  2  A ASP 25  59.47   11.68   
17  2  A GLU 39  50.73   -76.11  
18  2  A LEU 44  -56.54  86.30   
19  2  A ASN 48  -155.07 -50.77  
20  2  A SER 50  -66.50  97.37   
21  2  A ALA 55  77.19   -52.90  
22  2  A SER 60  -117.40 51.94   
23  2  A HIS 63  60.59   83.98   
24  2  A VAL 64  -74.14  -96.89  
25  2  A GLU 65  65.15   -36.08  
26  2  A LYS 75  60.07   69.97   
27  2  A ASN 107 -129.11 -83.43  
28  2  A LYS 110 86.53   -35.22  
29  2  A LYS 134 -47.64  -10.85  
30  3  A LEU 13  -59.43  -73.58  
31  3  A ASP 16  51.88   -90.07  
32  3  A SER 17  -60.71  5.85    
33  3  A ASP 25  68.15   -9.29   
34  3  A ILE 42  -163.56 87.39   
35  3  A LEU 44  58.03   75.51   
36  3  A ASN 48  -161.35 111.54  
37  3  A ALA 51  -69.27  92.68   
38  3  A GLU 52  -169.07 -167.94 
39  3  A SER 60  71.41   -23.36  
40  3  A GLU 62  -175.07 -52.79  
41  3  A LYS 75  63.11   66.97   
42  3  A ASP 162 67.83   -67.64  
43  4  A ASP 11  -50.81  -2.29   
44  4  A LEU 13  36.51   -88.67  
45  4  A ASP 16  -166.52 -90.64  
46  4  A SER 17  -170.20 78.72   
47  4  A ASP 24  59.92   14.65   
48  4  A ASP 25  58.23   10.36   
49  4  A ILE 42  -161.25 104.01  
50  4  A ALA 45  -67.29  94.18   
51  4  A GLU 62  68.54   -72.02  
52  4  A HIS 63  -161.99 36.89   
53  4  A LYS 75  64.37   61.12   
54  4  A ARG 108 77.82   -17.17  
55  5  A LEU 13  -57.42  -83.21  
56  5  A ASP 16  -172.67 -176.35 
57  5  A ASP 25  55.59   11.17   
58  5  A ILE 42  -140.32 35.84   
59  5  A PRO 49  -62.72  94.78   
60  5  A ALA 55  -47.61  98.78   
61  5  A GLU 56  -60.54  94.21   
62  5  A SER 60  -144.88 -40.52  
63  5  A ASP 61  -162.58 74.14   
64  5  A LYS 75  65.67   71.13   
65  5  A LYS 134 -45.95  -14.60  
66  6  A LEU 13  -78.23  -135.00 
67  6  A ASP 16  -160.64 -100.89 
68  6  A ASP 24  59.39   8.23    
69  6  A LEU 26  -134.99 -51.74  
70  6  A GLU 39  -62.80  89.02   
71  6  A PRO 49  -82.61  42.89   
72  6  A ALA 51  68.34   81.93   
73  6  A GLU 52  -151.46 -40.95  
74  6  A GLU 53  -172.65 -70.31  
75  6  A LYS 75  68.42   66.32   
76  6  A ARG 108 57.37   8.37    
77  6  A GLU 149 -172.95 -173.01 
78  6  A ASN 150 79.21   -20.82  
79  7  A THR 9   -131.33 -33.82  
80  7  A LEU 13  -45.28  -76.06  
81  7  A ASP 24  58.44   10.46   
82  7  A ILE 42  -155.04 -43.61  
83  7  A LEU 44  -103.18 -162.89 
84  7  A ASN 48  63.37   74.13   
85  7  A GLU 53  69.34   77.42   
86  7  A ASP 61  -136.79 -63.53  
87  7  A GLU 65  -67.36  80.86   
88  7  A TYR 82  -94.13  -60.24  
89  7  A ARG 108 81.38   -21.45  
90  7  A ALA 129 -59.67  108.38  
91  7  A LYS 134 -52.57  2.53    
92  7  A ALA 148 -90.95  -67.48  
93  8  A PHE 8   -107.76 -60.21  
94  8  A LEU 13  -62.99  -92.30  
95  8  A ASP 24  72.78   -85.53  
96  8  A ASP 25  172.14  28.48   
97  8  A LEU 26  -135.15 -52.16  
98  8  A GLU 39  39.95   -77.75  
99  8  A PRO 49  -54.15  104.88  
100 8  A GLU 56  -164.26 56.66   
101 8  A SER 60  -86.12  45.14   
102 8  A ASP 61  -152.85 66.85   
103 8  A ASN 107 47.02   77.29   
104 8  A ASP 109 152.06  147.44  
105 9  A THR 9   -132.30 -34.73  
106 9  A LEU 13  -44.93  -93.95  
107 9  A SER 17  -68.33  92.82   
108 9  A LEU 26  -130.74 -52.83  
109 9  A LEU 44  60.67   88.36   
110 9  A PRO 49  -63.60  84.90   
111 9  A GLU 53  -152.01 22.91   
112 9  A SER 60  -145.53 -57.12  
113 9  A LYS 75  62.21   69.88   
114 9  A ARG 108 73.29   -13.30  
115 9  A ALA 129 -58.97  99.75   
116 9  A ALA 148 -169.96 98.53   
117 9  A TYR 158 -69.86  88.54   
118 9  A ASP 162 71.68   -66.91  
119 10 A LEU 13  -84.96  -154.45 
120 10 A ASP 16  -166.03 -105.73 
121 10 A SER 17  -177.91 84.67   
122 10 A ASP 25  59.56   18.35   
123 10 A LEU 26  -129.54 -50.03  
124 10 A GLU 39  60.02   -66.36  
125 10 A ASN 48  64.16   65.74   
126 10 A GLU 53  -89.59  -136.90 
127 10 A ALA 55  -158.98 70.51   
128 10 A GLU 56  -90.48  34.56   
129 10 A LYS 75  54.63   70.32   
130 10 A ASN 107 -129.85 -50.30  
131 10 A ARG 108 49.28   21.67   
132 10 A LYS 134 -46.25  -7.44   
133 10 A GLU 149 -68.01  1.56    
134 10 A LEU 182 -139.28 -35.35  
135 11 A LEU 13  -77.19  -81.88  
136 11 A SER 15  177.30  -177.22 
137 11 A ASP 16  85.91   -109.86 
138 11 A SER 17  -144.04 42.39   
139 11 A ASP 25  53.11   16.02   
140 11 A PRO 49  -58.88  97.32   
141 11 A SER 50  -58.64  93.47   
142 11 A GLU 65  73.53   -57.71  
143 11 A ALA 154 -66.43  97.16   
144 11 A LYS 180 -69.84  98.04   
145 12 A LEU 13  -66.91  -95.90  
146 12 A SER 15  163.32  104.43  
147 12 A SER 17  -68.87  83.77   
148 12 A LEU 26  -135.10 -51.17  
149 12 A ALA 45  -159.12 -43.01  
150 12 A LYS 75  69.28   70.36   
151 12 A ASN 107 -140.05 -59.64  
152 12 A ALA 154 -63.79  97.51   
153 13 A PHE 8   -106.70 -64.02  
154 13 A LEU 13  28.55   -87.89  
155 13 A SER 15  -113.70 67.46   
156 13 A ASP 25  59.81   12.38   
157 13 A GLU 39  -64.45  84.39   
158 13 A ALA 51  -164.05 78.71   
159 13 A GLU 53  -59.98  78.34   
160 13 A GLU 56  -166.17 100.24  
161 13 A ASP 57  77.72   -30.28  
162 13 A HIS 63  76.41   -57.34  
163 13 A VAL 64  72.26   -78.09  
164 13 A GLU 65  51.39   -70.56  
165 13 A LYS 75  62.82   61.66   
166 13 A ASN 107 -92.69  -78.66  
167 13 A ARG 108 -153.47 13.43   
168 13 A ASP 109 68.94   -74.13  
169 13 A LYS 110 -99.04  -66.42  
170 13 A ALA 129 -62.12  88.31   
171 13 A GLU 149 49.29   89.66   
172 14 A LEU 13  -64.63  -79.68  
173 14 A ASP 16  -61.94  95.65   
174 14 A ASP 24  58.82   16.23   
175 14 A ASP 25  47.25   26.56   
176 14 A LEU 44  51.38   81.44   
177 14 A ALA 55  179.32  -76.23  
178 14 A GLU 56  59.44   -82.66  
179 14 A ASP 57  -168.94 -90.72  
180 14 A ASN 107 -130.42 -53.43  
181 14 A ASP 109 -120.48 -89.00  
182 14 A LYS 110 173.13  -42.21  
183 14 A LEU 182 -170.08 0.24    
184 15 A PHE 8   -94.15  -64.68  
185 15 A THR 9   -132.08 -37.68  
186 15 A LEU 13  -54.63  -73.69  
187 15 A ASP 24  56.09   18.98   
188 15 A ASP 25  55.62   14.71   
189 15 A GLU 39  -59.43  88.34   
190 15 A PRO 49  -81.01  -155.89 
191 15 A ASP 57  -59.04  105.36  
192 15 A ASN 107 -120.02 -74.11  
193 15 A ARG 108 50.08   18.78   
194 15 A LYS 110 84.15   -38.76  
195 15 A ALA 154 -64.81  97.09   
196 16 A LEU 13  42.90   -80.02  
197 16 A SER 15  -163.16 96.35   
198 16 A PHE 18  43.07   108.29  
199 16 A LEU 26  -125.81 -52.47  
200 16 A GLU 39  47.70   -81.18  
201 16 A SER 50  58.22   85.18   
202 16 A GLU 53  -136.25 -82.88  
203 16 A ASP 58  62.78   90.83   
204 16 A SER 60  -150.15 25.88   
205 16 A LYS 75  66.38   69.62   
206 16 A ASN 107 -148.70 41.99   
207 16 A ARG 108 -60.73  10.68   
208 16 A LYS 110 89.72   -58.01  
209 16 A ALA 129 -67.31  91.58   
210 16 A LYS 130 -59.12  -8.28   
211 16 A LEU 182 -122.86 -61.18  
212 17 A PHE 8   -96.72  -67.85  
213 17 A ASP 11  -48.26  -15.29  
214 17 A LEU 13  21.18   -89.21  
215 17 A ASP 24  59.51   16.47   
216 17 A LEU 26  -132.23 -50.97  
217 17 A LEU 44  -66.26  96.45   
218 17 A PRO 49  -55.29  103.82  
219 17 A ALA 51  64.27   76.38   
220 17 A ALA 55  74.07   -71.37  
221 17 A SER 60  -94.36  -158.25 
222 17 A GLU 65  68.70   -45.85  
223 17 A ASN 107 -101.83 -64.67  
224 17 A ARG 108 74.35   -26.99  
225 18 A LEU 13  -105.27 -164.54 
226 18 A ASP 16  -157.37 -84.11  
227 18 A SER 17  177.69  86.77   
228 18 A LEU 26  -134.45 -51.32  
229 18 A GLU 39  49.20   -77.33  
230 18 A PRO 49  -52.88  101.47  
231 18 A ASP 57  -173.51 -163.91 
232 18 A ASP 61  -137.17 -159.79 
233 19 A LEU 13  5.54    -87.93  
234 19 A ASP 25  53.37   12.11   
235 19 A VAL 43  -162.68 92.29   
236 19 A GLU 53  69.41   -63.92  
237 19 A ALA 55  -64.20  96.69   
238 19 A ASP 61  -79.72  20.83   
239 19 A ASN 107 -131.35 -68.97  
240 19 A ARG 108 50.88   11.88   
241 19 A LYS 110 80.01   -45.21  
242 19 A ALA 129 -68.55  85.84   
243 19 A ALA 148 176.63  93.23   
244 20 A LEU 13  -98.96  -148.34 
245 20 A SER 15  -124.38 -160.77 
246 20 A ASP 16  74.11   -162.86 
247 20 A SER 17  -96.98  58.01   
248 20 A LEU 26  -132.93 -44.03  
249 20 A ASN 48  64.21   99.03   
250 20 A GLU 52  -113.41 79.17   
251 20 A ALA 55  -68.30  87.78   
252 20 A VAL 64  -99.34  -88.37  
253 20 A GLU 65  77.00   -51.00  
254 20 A ASN 107 -146.46 35.12   
255 20 A ARG 108 -69.83  7.55    
256 20 A LYS 110 83.26   -8.84   
257 20 A ALA 148 -155.19 -92.44  
258 20 A ASP 162 70.36   -62.13  
259 20 A LEU 182 -104.33 54.43   
# 
_struct.entry_id             2LOY 
_struct.pdbx_descriptor      'Translationally-controlled tumor protein homolog' 
_struct.pdbx_model_details   'lowest energy, model 1' 
_struct.title                
;Refined Miminal Constraint Solution NMR Structure of Translationally-controlled tumor protein (TCTP) from Caenorhabditis elegans, Northeast Structural Genomics Consortium Target WR73
;
# 
_struct_asym.id                            A 
_struct_asym.entity_id                     1 
_struct_asym.pdbx_blank_PDB_chainid_flag   N 
_struct_asym.pdbx_modified                 N 
# 
_struct_biol.id   1 
# 
loop_
_struct_conf.id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_seq_id 
_struct_conf.conf_type_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_seq_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.pdbx_PDB_helix_length 
HELX_P1 A ASP 69  A ASP 69  HELX_P A LYS 75  A LYS 75  1 1 7  
HELX_P2 A ASP 84  A ASP 84  HELX_P A ASN 107 A ASN 107 1 2 24 
HELX_P3 A ALA 111 A ALA 111 HELX_P A LEU 128 A LEU 128 1 3 18 
HELX_P4 A ALA 129 A ALA 129 HELX_P A LYS 134 A LYS 134 1 4 6  
# 
_struct_conf_type.id   HELX_P 
# 
_struct_ref.id                         1 
_struct_ref.db_code                    TCTP_CAEEL 
_struct_ref.db_name                    UNP 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_align_begin           1 
_struct_ref.pdbx_db_accession          Q93573 
_struct_ref.pdbx_seq_one_letter_code   
;MLIYKDIFTDDELSSDSFPMKLVDDLVYEFKGKHVVRKEGEIVLAGSNPSAEEGAEDDGSDEHVERGIDIVLNHKLVEMN
CYEDASMFKAYIKKFMKNVIDHMEKNNRDKADVDAFKKKIQGWVVSLLAKDRFKNLAFFIGERAAEGAENGQVAIIEYRD
VDGTEVPTLMLVKEAIIEEKC
;
# 
_struct_ref_seq.align_id                  1 
_struct_ref_seq.db_align_beg              1 
_struct_ref_seq.db_align_end              181 
_struct_ref_seq.pdbx_PDB_id_code          2LOY 
_struct_ref_seq.pdbx_auth_seq_align_beg   1 
_struct_ref_seq.pdbx_auth_seq_align_end   181 
_struct_ref_seq.pdbx_db_accession         Q93573 
_struct_ref_seq.pdbx_strand_id            A 
_struct_ref_seq.ref_id                    1 
_struct_ref_seq.seq_align_beg             1 
_struct_ref_seq.seq_align_end             181 
# 
loop_
_struct_ref_seq_dif.pdbx_ordinal 
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.seq_num 
1 1 'EXPRESSION TAG' LEU 182 2LOY A Q93573 UNP 182 
2 1 'EXPRESSION TAG' GLU 183 2LOY A Q93573 UNP 183 
3 1 'EXPRESSION TAG' HIS 184 2LOY A Q93573 UNP 184 
4 1 'EXPRESSION TAG' HIS 185 2LOY A Q93573 UNP 185 
5 1 'EXPRESSION TAG' HIS 186 2LOY A Q93573 UNP 186 
6 1 'EXPRESSION TAG' HIS 187 2LOY A Q93573 UNP 187 
7 1 'EXPRESSION TAG' HIS 188 2LOY A Q93573 UNP 188 
8 1 'EXPRESSION TAG' HIS 189 2LOY A Q93573 UNP 189 
# 
loop_
_struct_sheet.id 
_struct_sheet.number_strands 
A 3 
B 6 
C 2 
# 
loop_
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.sheet_id 
_struct_sheet_order.sense 
1 2 A anti-parallel 
2 3 A anti-parallel 
1 2 B anti-parallel 
2 3 B anti-parallel 
3 4 B anti-parallel 
4 5 B anti-parallel 
5 6 B anti-parallel 
1 2 C anti-parallel 
# 
loop_
_struct_sheet_range.id 
_struct_sheet_range.sheet_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_seq_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_seq_id 
1 A A SER 14  A SER 14  A ASP 16  A ASP 16  
2 A A LEU 2   A LEU 2   A ASP 6   A ASP 6   
3 A A ILE 176 A ILE 176 A LYS 180 A LYS 180 
1 B A MET 20  A MET 20  A VAL 23  A VAL 23  
2 B A VAL 27  A VAL 27  A LYS 31  A LYS 31  
3 B A THR 164 A THR 164 A VAL 172 A VAL 172 
4 B A ALA 154 A ALA 154 A VAL 161 A VAL 161 
5 B A LEU 136 A LEU 136 A ILE 140 A ILE 140 
6 B A VAL 77  A VAL 77  A MET 79  A MET 79  
1 C A HIS 34  A HIS 34  A LYS 38  A LYS 38  
2 C A VAL 64  A VAL 64  A ILE 68  A ILE 68  
# 
_pdbx_sifts_unp_segments.entity_id      1 
_pdbx_sifts_unp_segments.asym_id        A 
_pdbx_sifts_unp_segments.unp_acc        Q93573 
_pdbx_sifts_unp_segments.segment_id     1 
_pdbx_sifts_unp_segments.instance_id    1 
_pdbx_sifts_unp_segments.unp_start      1 
_pdbx_sifts_unp_segments.unp_end        181 
_pdbx_sifts_unp_segments.seq_id_start   1 
_pdbx_sifts_unp_segments.seq_id_end     181 
_pdbx_sifts_unp_segments.best_mapping   Y 
_pdbx_sifts_unp_segments.identity       1.000 
# 
loop_
_pdbx_sifts_xref_db_segments.entity_id 
_pdbx_sifts_xref_db_segments.asym_id 
_pdbx_sifts_xref_db_segments.xref_db 
_pdbx_sifts_xref_db_segments.xref_db_acc 
_pdbx_sifts_xref_db_segments.segment_id 
_pdbx_sifts_xref_db_segments.instance_id 
_pdbx_sifts_xref_db_segments.seq_id_start 
_pdbx_sifts_xref_db_segments.seq_id_end 
1 A GO       GO:0005509   1 1  1   181 
1 A GO       GO:0005737   1 2  1   181 
1 A GO       GO:0005737   1 3  1   181 
1 A GO       GO:0005737   1 4  1   181 
1 A GO       GO:0005783   1 5  1   181 
1 A InterPro IPR018105    1 6  1   181 
1 A InterPro IPR018105    1 7  1   181 
1 A InterPro IPR018105    1 8  1   181 
1 A InterPro IPR011323    1 9  1   181 
1 A InterPro IPR018105    1 10 1   21  
1 A InterPro IPR018105    1 11 60  79  
1 A InterPro IPR018105    1 12 46  57  
1 A InterPro IPR018103    1 13 133 158 
1 A InterPro IPR018103    1 14 45  55  
1 A InterPro IPR034737    1 15 1   181 
1 A InterPro IPR034737    1 16 1   181 
1 A InterPro IPR034737    1 17 1   181 
1 A InterPro IPR018105    1 18 1   176 
1 A InterPro IPR011057    1 19 1   181 
1 A InterPro IPR011057    1 20 1   181 
1 A InterPro IPR011057    1 21 1   181 
1 A CATH     2.170.150.10 1 22 1   181 
1 A SCOP2B   8077409      1 23 1   181 
1 A Pfam     PF00838      1 24 1   177 
1 A GO       GO:0005509   2 1  182 189 
1 A GO       GO:0005737   2 2  182 189 
1 A GO       GO:0005737   2 3  182 189 
1 A GO       GO:0005737   2 4  182 189 
1 A GO       GO:0005783   2 5  182 189 
1 A InterPro IPR011323    2 6  182 189 
1 A CATH     2.170.150.10 2 7  182 183 
# 
_pdbx_nmr_assigned_chem_shift_list.id                            1 
_pdbx_nmr_assigned_chem_shift_list.data_file_name                
D_800385_nmr-data-str_P1.cif.V12 
_pdbx_nmr_assigned_chem_shift_list.label                         
nef_chemical_shift_list_bmr16833.str 
_pdbx_nmr_assigned_chem_shift_list.nmr_star_consistency_flag     Y 
_pdbx_nmr_assigned_chem_shift_list.number_chem_shifts            1275 
_pdbx_nmr_assigned_chem_shift_list.number_map_errors             0 
_pdbx_nmr_assigned_chem_shift_list.number_map_warnings           0 
_pdbx_nmr_assigned_chem_shift_list.number_mapped_chem_shifts     1275 
_pdbx_nmr_assigned_chem_shift_list.number_parsed_chem_shifts     1275 
_pdbx_nmr_assigned_chem_shift_list.number_unparsed_chem_shifts   0 
# 
loop_
_pdbx_nmr_chem_shift_annotation.list_id 
_pdbx_nmr_chem_shift_annotation.id 
_pdbx_nmr_chem_shift_annotation.auth_asym_id 
_pdbx_nmr_chem_shift_annotation.auth_comp_id 
_pdbx_nmr_chem_shift_annotation.auth_seq_id 
_pdbx_nmr_chem_shift_annotation.random_coil_index 
1 1   A MET 1   0.041 
1 2   A ASP 10  0.018 
1 3   A ILE 100 0.010 
1 4   A ASP 101 0.009 
1 5   A HIS 102 0.010 
1 6   A MET 103 0.012 
1 7   A GLU 104 0.016 
1 8   A LYS 105 0.023 
1 9   A ASN 106 0.026 
1 10  A ASN 107 0.024 
1 11  A ARG 108 0.018 
1 12  A ASP 109 0.015 
1 13  A ASP 11  0.023 
1 14  A LYS 110 0.014 
1 15  A ALA 111 0.014 
1 16  A ASP 112 0.012 
1 17  A VAL 113 0.012 
1 18  A ASP 114 0.012 
1 19  A ALA 115 0.013 
1 20  A PHE 116 0.014 
1 21  A LYS 117 0.015 
1 22  A LYS 118 0.017 
1 23  A LYS 119 0.019 
1 24  A GLU 12  0.027 
1 25  A ILE 120 0.020 
1 26  A GLN 121 0.017 
1 27  A GLY 122 0.015 
1 28  A TRP 123 0.012 
1 29  A VAL 124 0.012 
1 30  A VAL 125 0.013 
1 31  A SER 126 0.018 
1 32  A LEU 127 0.028 
1 33  A LEU 128 0.035 
1 34  A ALA 129 0.033 
1 35  A LEU 13  0.027 
1 36  A LYS 130 0.024 
1 37  A ASP 131 0.018 
1 38  A ARG 132 0.017 
1 39  A PHE 133 0.020 
1 40  A LYS 134 0.026 
1 41  A ASN 135 0.032 
1 42  A LEU 136 0.033 
1 43  A ALA 137 0.028 
1 44  A PHE 138 0.022 
1 45  A PHE 139 0.017 
1 46  A SER 14  0.021 
1 47  A ILE 140 0.015 
1 48  A GLY 141 0.015 
1 49  A GLU 142 0.015 
1 50  A ARG 143 0.017 
1 51  A ALA 144 0.025 
1 52  A ALA 145 0.041 
1 53  A GLU 146 0.078 
1 54  A GLY 147 0.087 
1 55  A ALA 148 0.074 
1 56  A GLU 149 0.039 
1 57  A SER 15  0.022 
1 58  A ASN 150 0.027 
1 59  A GLY 151 0.040 
1 60  A GLN 152 0.053 
1 61  A VAL 153 0.056 
1 62  A ALA 154 0.045 
1 63  A ILE 155 0.030 
1 64  A ILE 156 0.023 
1 65  A GLU 157 0.022 
1 66  A TYR 158 0.026 
1 67  A ARG 159 0.031 
1 68  A ASP 16  0.026 
1 69  A ASP 160 0.029 
1 70  A VAL 161 0.028 
1 71  A ASP 162 0.029 
1 72  A GLY 163 0.045 
1 73  A THR 164 0.047 
1 74  A GLU 165 0.044 
1 75  A VAL 166 0.029 
1 76  A PRO 167 0.026 
1 77  A THR 168 0.026 
1 78  A LEU 169 0.024 
1 79  A SER 17  0.038 
1 80  A MET 170 0.022 
1 81  A LEU 171 0.016 
1 82  A VAL 172 0.016 
1 83  A LYS 173 0.014 
1 84  A GLU 174 0.015 
1 85  A ALA 175 0.013 
1 86  A ILE 176 0.014 
1 87  A ILE 177 0.018 
1 88  A GLU 178 0.025 
1 89  A GLU 179 0.032 
1 90  A PHE 18  0.045 
1 91  A LYS 180 0.054 
1 92  A CYS 181 0.092 
1 93  A LEU 182 0.168 
1 94  A GLU 183 0.208 
1 95  A PRO 19  0.050 
1 96  A LEU 2   0.040 
1 97  A MET 20  0.045 
1 98  A LYS 21  0.044 
1 99  A LEU 22  0.037 
1 100 A VAL 23  0.030 
1 101 A ASP 24  0.020 
1 102 A ASP 25  0.015 
1 103 A LEU 26  0.015 
1 104 A VAL 27  0.018 
1 105 A TYR 28  0.022 
1 106 A GLU 29  0.027 
1 107 A ILE 3   0.035 
1 108 A PHE 30  0.029 
1 109 A LYS 31  0.032 
1 110 A GLY 32  0.029 
1 111 A LYS 33  0.026 
1 112 A HIS 34  0.021 
1 113 A VAL 35  0.022 
1 114 A VAL 36  0.033 
1 115 A ARG 37  0.046 
1 116 A LYS 38  0.068 
1 117 A GLU 39  0.084 
1 118 A TYR 4   0.030 
1 119 A GLY 40  0.122 
1 120 A GLU 41  0.126 
1 121 A ILE 42  0.134 
1 122 A VAL 43  0.130 
1 123 A LEU 44  0.198 
1 124 A ALA 45  0.287 
1 125 A GLY 46  0.378 
1 126 A SER 47  0.422 
1 127 A ASN 48  0.422 
1 128 A PRO 49  0.382 
1 129 A LYS 5   0.022 
1 130 A SER 50  0.336 
1 131 A ALA 51  0.267 
1 132 A GLU 52  0.219 
1 133 A GLU 53  0.193 
1 134 A GLY 54  0.225 
1 135 A ALA 55  0.195 
1 136 A GLU 56  0.131 
1 137 A ASP 57  0.051 
1 138 A ASP 58  0.047 
1 139 A GLY 59  0.056 
1 140 A ASP 6   0.017 
1 141 A SER 60  0.066 
1 142 A ASP 61  0.063 
1 143 A GLU 62  0.069 
1 144 A HIS 63  0.072 
1 145 A VAL 64  0.070 
1 146 A GLU 65  0.066 
1 147 A ARG 66  0.058 
1 148 A GLY 67  0.048 
1 149 A ILE 68  0.030 
1 150 A ASP 69  0.016 
1 151 A ILE 7   0.019 
1 152 A ILE 70  0.014 
1 153 A VAL 71  0.016 
1 154 A LEU 72  0.019 
1 155 A ASN 73  0.020 
1 156 A HIS 74  0.022 
1 157 A LYS 75  0.024 
1 158 A LEU 76  0.029 
1 159 A VAL 77  0.029 
1 160 A GLU 78  0.028 
1 161 A MET 79  0.024 
1 162 A PHE 8   0.021 
1 163 A ASN 80  0.025 
1 164 A CYS 81  0.026 
1 165 A TYR 82  0.025 
1 166 A GLU 83  0.022 
1 167 A ASP 84  0.021 
1 168 A ALA 85  0.019 
1 169 A SER 86  0.016 
1 170 A MET 87  0.014 
1 171 A PHE 88  0.013 
1 172 A LYS 89  0.013 
1 173 A THR 9   0.021 
1 174 A ALA 90  0.017 
1 175 A TYR 91  0.021 
1 176 A ILE 92  0.022 
1 177 A LYS 93  0.019 
1 178 A LYS 94  0.017 
1 179 A PHE 95  0.015 
1 180 A MET 96  0.014 
1 181 A LYS 97  0.013 
1 182 A ASN 98  0.012 
1 183 A VAL 99  0.011 
# 
loop_
_pdbx_nmr_chem_shift_completeness.list_id 
_pdbx_nmr_chem_shift_completeness.atom_group 
_pdbx_nmr_chem_shift_completeness.atom_type 
_pdbx_nmr_chem_shift_completeness.number_assigned_chem_shifts_well_formed 
_pdbx_nmr_chem_shift_completeness.number_target_shifts_well_formed 
_pdbx_nmr_chem_shift_completeness.number_unassigned_chem_shifts_well_formed 
_pdbx_nmr_chem_shift_completeness.number_assigned_chem_shifts 
_pdbx_nmr_chem_shift_completeness.number_target_shifts 
_pdbx_nmr_chem_shift_completeness.number_unassigned_chem_shifts 
1 sidechain    H            111  640  529  115  691  576  
1 backbone     H            158  322  164  178  363  185  
1 overall      H            322  1045 723  346  1141 795  
1 aromatic     H            53   83   30   53   87   34   
1 sidechain    C            220  415  195  240  452  212  
1 backbone     C            321  324  3    362  366  4    
1 overall      C            541  806  265  602  887  285  
1 aromatic     C            0    67   67   0    69   69   
1 sidechain    Total        340  1101 761  365  1190 825  
1 backbone     Total        637  806  169  718  909  191  
1 overall      Total        1031 2064 1033 1137 2264 1127 
1 aromatic     Total        54   157  103  54   165  111  
1 stereomethyl stereomethyl 26   27   1    27   29   2    
1 sidechain    N            9    46   37   10   47   37   
1 backbone     N            158  160  2    178  180  2    
1 overall      N            168  213  45   189  236  47   
1 aromatic     N            1    7    6    1    9    8    
# 
loop_
_pdbx_nmr_chem_shift_re_offset.list_id 
_pdbx_nmr_chem_shift_re_offset.atom_type 
_pdbx_nmr_chem_shift_re_offset.correction_val 
_pdbx_nmr_chem_shift_re_offset.correction_val_err 
_pdbx_nmr_chem_shift_re_offset.correction_val_esd 
_pdbx_nmr_chem_shift_re_offset.number_chem_shifts 
1 CB 0.52  0.50 0.09 171 
1 C  -0.48 0.50 0.10 180 
1 CA -0.62 0.50 0.12 182 
1 N  -0.15 0.50 0.35 178 
# 
_pdbx_validate_nmr_chem_shift.list_id        1 
_pdbx_validate_nmr_chem_shift.id             1 
_pdbx_validate_nmr_chem_shift.auth_asym_id   A 
_pdbx_validate_nmr_chem_shift.auth_comp_id   ARG 
_pdbx_validate_nmr_chem_shift.auth_seq_id    143 
_pdbx_validate_nmr_chem_shift.auth_atom_id   H 
_pdbx_validate_nmr_chem_shift.val            11.733 
_pdbx_validate_nmr_chem_shift.target_val     8.240 
_pdbx_validate_nmr_chem_shift.Zscore         5.726 
_pdbx_validate_nmr_chem_shift.method         shiftchecker 
# 
_pdbx_percentile_list.entry_id   2LOY 
_pdbx_percentile_list.name       all,nmr 
# 
loop_
_pdbx_percentile_view.entry_id 
_pdbx_percentile_view.conditions_id 
_pdbx_percentile_view.type 
_pdbx_percentile_view.conditions_label 
_pdbx_percentile_view.rank 
2LOY 1 all_atom_clashscore          absolute 77.6 
2LOY 2 all_atom_clashscore          relative 73.9 
2LOY 3 Ramachandran_outlier_percent absolute 9.9  
2LOY 4 Ramachandran_outlier_percent relative 49.1 
2LOY 5 rotamer_outliers_percent     absolute 32.5 
2LOY 6 rotamer_outliers_percent     relative 81.3 
# 
loop_
_pdbx_percentile_conditions.id 
_pdbx_percentile_conditions.number_entries_total 
1 158937 
2 12864  
3 154571 
4 11451  
5 154315 
6 11428  
# 
loop_
_pdbx_percentile_entity_view.conditions_id 
_pdbx_percentile_entity_view.type 
_pdbx_percentile_entity_view.label_asym_id 
_pdbx_percentile_entity_view.PDB_model_num 
_pdbx_percentile_entity_view.entity_id 
_pdbx_percentile_entity_view.auth_asym_id 
_pdbx_percentile_entity_view.conditions_label 
_pdbx_percentile_entity_view.rank 
3 Ramachandran_outlier_percent A 1  1 A absolute 14.01 
4 Ramachandran_outlier_percent A 1  1 A relative 14.01 
5 rotamer_outliers_percent     A 1  1 A absolute 32.77 
6 rotamer_outliers_percent     A 1  1 A relative 32.77 
3 Ramachandran_outlier_percent A 2  1 A absolute 2.83  
4 Ramachandran_outlier_percent A 2  1 A relative 2.83  
5 rotamer_outliers_percent     A 2  1 A absolute 28.08 
6 rotamer_outliers_percent     A 2  1 A relative 28.08 
3 Ramachandran_outlier_percent A 3  1 A absolute 4.59  
4 Ramachandran_outlier_percent A 3  1 A relative 4.59  
5 rotamer_outliers_percent     A 3  1 A absolute 23.53 
6 rotamer_outliers_percent     A 3  1 A relative 23.53 
3 Ramachandran_outlier_percent A 4  1 A absolute 2.83  
4 Ramachandran_outlier_percent A 4  1 A relative 2.83  
5 rotamer_outliers_percent     A 4  1 A absolute 32.77 
6 rotamer_outliers_percent     A 4  1 A relative 32.77 
3 Ramachandran_outlier_percent A 5  1 A absolute 4.59  
4 Ramachandran_outlier_percent A 5  1 A relative 4.59  
5 rotamer_outliers_percent     A 5  1 A absolute 38.61 
6 rotamer_outliers_percent     A 5  1 A relative 38.61 
3 Ramachandran_outlier_percent A 6  1 A absolute 4.59  
4 Ramachandran_outlier_percent A 6  1 A relative 4.59  
5 rotamer_outliers_percent     A 6  1 A absolute 28.08 
6 rotamer_outliers_percent     A 6  1 A relative 28.08 
3 Ramachandran_outlier_percent A 7  1 A absolute 8.76  
4 Ramachandran_outlier_percent A 7  1 A relative 8.76  
5 rotamer_outliers_percent     A 7  1 A absolute 23.53 
6 rotamer_outliers_percent     A 7  1 A relative 23.53 
3 Ramachandran_outlier_percent A 8  1 A absolute 4.59  
4 Ramachandran_outlier_percent A 8  1 A relative 4.59  
5 rotamer_outliers_percent     A 8  1 A absolute 38.61 
6 rotamer_outliers_percent     A 8  1 A relative 38.61 
3 Ramachandran_outlier_percent A 9  1 A absolute 14.01 
4 Ramachandran_outlier_percent A 9  1 A relative 14.01 
5 rotamer_outliers_percent     A 9  1 A absolute 32.77 
6 rotamer_outliers_percent     A 9  1 A relative 32.77 
3 Ramachandran_outlier_percent A 10 1 A absolute 4.59  
4 Ramachandran_outlier_percent A 10 1 A relative 4.59  
5 rotamer_outliers_percent     A 10 1 A absolute 20.31 
6 rotamer_outliers_percent     A 10 1 A relative 20.31 
3 Ramachandran_outlier_percent A 11 1 A absolute 4.59  
4 Ramachandran_outlier_percent A 11 1 A relative 4.59  
5 rotamer_outliers_percent     A 11 1 A absolute 28.08 
6 rotamer_outliers_percent     A 11 1 A relative 28.08 
3 Ramachandran_outlier_percent A 12 1 A absolute 8.76  
4 Ramachandran_outlier_percent A 12 1 A relative 8.76  
5 rotamer_outliers_percent     A 12 1 A absolute 68.64 
6 rotamer_outliers_percent     A 12 1 A relative 68.64 
3 Ramachandran_outlier_percent A 13 1 A absolute 2.83  
4 Ramachandran_outlier_percent A 13 1 A relative 2.83  
5 rotamer_outliers_percent     A 13 1 A absolute 38.61 
6 rotamer_outliers_percent     A 13 1 A relative 38.61 
3 Ramachandran_outlier_percent A 14 1 A absolute 2.83  
4 Ramachandran_outlier_percent A 14 1 A relative 2.83  
5 rotamer_outliers_percent     A 14 1 A absolute 23.53 
6 rotamer_outliers_percent     A 14 1 A relative 23.53 
3 Ramachandran_outlier_percent A 15 1 A absolute 4.59  
4 Ramachandran_outlier_percent A 15 1 A relative 4.59  
5 rotamer_outliers_percent     A 15 1 A absolute 56.63 
6 rotamer_outliers_percent     A 15 1 A relative 56.63 
3 Ramachandran_outlier_percent A 16 1 A absolute 4.59  
4 Ramachandran_outlier_percent A 16 1 A relative 4.59  
5 rotamer_outliers_percent     A 16 1 A absolute 32.77 
6 rotamer_outliers_percent     A 16 1 A relative 32.77 
3 Ramachandran_outlier_percent A 17 1 A absolute 8.76  
4 Ramachandran_outlier_percent A 17 1 A relative 8.76  
5 rotamer_outliers_percent     A 17 1 A absolute 20.31 
6 rotamer_outliers_percent     A 17 1 A relative 20.31 
3 Ramachandran_outlier_percent A 18 1 A absolute 4.59  
4 Ramachandran_outlier_percent A 18 1 A relative 4.59  
5 rotamer_outliers_percent     A 18 1 A absolute 32.77 
6 rotamer_outliers_percent     A 18 1 A relative 32.77 
3 Ramachandran_outlier_percent A 19 1 A absolute 8.76  
4 Ramachandran_outlier_percent A 19 1 A relative 8.76  
5 rotamer_outliers_percent     A 19 1 A absolute 9.46  
6 rotamer_outliers_percent     A 19 1 A relative 9.46  
3 Ramachandran_outlier_percent A 20 1 A absolute 8.76  
4 Ramachandran_outlier_percent A 20 1 A relative 8.76  
5 rotamer_outliers_percent     A 20 1 A absolute 23.53 
6 rotamer_outliers_percent     A 20 1 A relative 23.53 
# 
_pdbx_dcc_geometry.entry_id                                       2LOY 
_pdbx_dcc_geometry.Ramachandran_outlier_percent                   2.54 
_pdbx_dcc_geometry.Ramachandran_outlier_percent_nmr_well_formed   2.22 
_pdbx_dcc_geometry.all_atom_clashscore                            2.74 
_pdbx_dcc_geometry.all_atom_clashscore_nmr_well_formed            2.92 
_pdbx_dcc_geometry.angle_overall_rmsz                             0.65 
_pdbx_dcc_geometry.bond_overall_rmsz                              0.83 
_pdbx_dcc_geometry.number_angles                                  39680 
_pdbx_dcc_geometry.number_bonds                                   29580 
_pdbx_dcc_geometry.rotamer_outliers_percent                       4.27 
_pdbx_dcc_geometry.rotamer_outliers_percent_nmr_well_formed       4.27 
# 
loop_
_pdbx_dcc_entity_geometry.label_asym_id 
_pdbx_dcc_entity_geometry.PDB_model_num 
_pdbx_dcc_entity_geometry.entity_id 
_pdbx_dcc_entity_geometry.auth_asym_id 
_pdbx_dcc_entity_geometry.angle_overall_rmsz 
_pdbx_dcc_entity_geometry.bond_overall_rmsz 
_pdbx_dcc_entity_geometry.number_angles 
_pdbx_dcc_entity_geometry.number_bonds 
A 1  1 A 0.65 0.82 1984 1479 
A 2  1 A 0.66 0.83 1984 1479 
A 3  1 A 0.66 0.80 1984 1479 
A 4  1 A 0.64 0.85 1984 1479 
A 5  1 A 0.62 0.83 1984 1479 
A 6  1 A 0.64 0.81 1984 1479 
A 7  1 A 0.62 0.80 1984 1479 
A 8  1 A 0.65 0.84 1984 1479 
A 9  1 A 0.63 0.83 1984 1479 
A 10 1 A 0.65 0.83 1984 1479 
A 11 1 A 0.64 0.85 1984 1479 
A 12 1 A 0.63 0.81 1984 1479 
A 13 1 A 0.66 0.83 1984 1479 
A 14 1 A 0.66 0.86 1984 1479 
A 15 1 A 0.65 0.85 1984 1479 
A 16 1 A 0.65 0.85 1984 1479 
A 17 1 A 0.65 0.84 1984 1479 
A 18 1 A 0.64 0.82 1984 1479 
A 19 1 A 0.66 0.84 1984 1479 
A 20 1 A 0.66 0.82 1984 1479 
# 
loop_
_struct_mon_prot.pdbx_id 
_struct_mon_prot.PDB_model_num 
_struct_mon_prot.auth_asym_id 
_struct_mon_prot.auth_comp_id 
_struct_mon_prot.auth_seq_id 
_struct_mon_prot.pdbx_rotamer 
_struct_mon_prot.phi 
_struct_mon_prot.psi 
_struct_mon_prot.pdbx_Ramachandran_region 
1    1  A MET 1   tpt     ?      ?      ?       
2    1  A LEU 2   mt      -132.5 134.1  Favored 
3    1  A ILE 3   mt      -103.0 120.9  Favored 
4    1  A TYR 4   m-85    -105.1 135.9  Favored 
5    1  A LYS 5   OUTLIER -137.5 146.2  Favored 
6    1  A ASP 6   t70     -106.3 172.4  Favored 
7    1  A ILE 7   mt      -64.8  -35.8  Favored 
8    1  A PHE 8   m-85    -110.8 -43.2  Favored 
9    1  A THR 9   p       -98.3  20.2   Favored 
10   1  A ASP 10  t70     -45.5  -43.0  Favored 
11   1  A ASP 11  t70     -49.5  -61.7  Allowed 
12   1  A GLU 12  tt0     -125.3 21.8   Favored 
13   1  A LEU 13  tp      -49.1  -65.4  Allowed 
14   1  A SER 14  t       -158.2 173.5  Favored 
15   1  A SER 15  p       172.9  90.0   OUTLIER 
16   1  A ASP 16  t70     -174.0 167.9  Favored 
17   1  A SER 17  m       -68.9  65.1   Allowed 
18   1  A PHE 18  m-85    -87.9  134.1  Favored 
19   1  A PRO 19  Cg_endo -67.3  121.1  Favored 
20   1  A MET 20  ptm     -132.7 147.0  Favored 
21   1  A LYS 21  mtpp    -131.7 158.7  Favored 
22   1  A LEU 22  tp      -117.6 110.9  Favored 
23   1  A VAL 23  p       -98.2  139.1  Favored 
24   1  A ASP 24  t70     62.7   10.4   Favored 
25   1  A ASP 25  t70     51.3   38.7   Favored 
26   1  A LEU 26  tp      -134.7 -50.2  Allowed 
27   1  A VAL 27  t       -125.1 138.3  Favored 
28   1  A TYR 28  m-85    -86.1  120.0  Favored 
29   1  A GLU 29  mm-40   -88.6  103.5  Favored 
30   1  A PHE 30  t80     -109.7 103.9  Favored 
31   1  A LYS 31  tttm    -85.0  145.0  Favored 
32   1  A GLY 32  ?       -133.8 -163.4 Favored 
33   1  A LYS 33  ptmt    -144.2 143.2  Favored 
34   1  A HIS 34  p80     -74.2  121.5  Favored 
35   1  A VAL 35  m       -146.4 166.7  Favored 
36   1  A VAL 36  m       -128.8 139.7  Favored 
37   1  A ARG 37  tpt180  -100.1 108.4  Favored 
38   1  A LYS 38  tmtm?   -124.7 106.4  Favored 
39   1  A GLU 39  tt0     -72.7  79.6   Allowed 
40   1  A GLY 40  ?       162.7  -35.8  Allowed 
41   1  A GLU 41  tt0     -174.9 105.0  Allowed 
42   1  A ILE 42  tt      -73.4  98.8   Allowed 
43   1  A VAL 43  t       -128.4 116.7  Favored 
44   1  A LEU 44  mp      -64.7  -40.0  Favored 
45   1  A ALA 45  ?       -79.9  -11.0  Favored 
46   1  A GLY 46  ?       -91.0  66.2   Favored 
47   1  A SER 47  m       -136.8 158.4  Favored 
48   1  A ASN 48  t-20    -68.0  113.3  Favored 
49   1  A PRO 49  Cg_exo  -67.6  92.5   Allowed 
50   1  A SER 50  t       -73.4  94.9   Favored 
51   1  A ALA 51  ?       -67.1  -59.5  Favored 
52   1  A GLU 52  mm-40   -99.2  -70.3  Allowed 
53   1  A GLU 53  mm-40   -127.3 -47.2  Allowed 
54   1  A GLY 54  ?       72.4   28.0   Favored 
55   1  A ALA 55  ?       -90.9  39.2   Allowed 
56   1  A GLU 56  mm-40   -61.6  106.6  Allowed 
57   1  A ASP 57  p-10    -53.4  -44.0  Favored 
58   1  A ASP 58  t70     -97.7  91.5   Favored 
59   1  A GLY 59  ?       74.0   86.0   Allowed 
60   1  A SER 60  m       -56.0  -35.0  Favored 
61   1  A ASP 61  p30     -140.6 -169.0 Favored 
62   1  A GLU 62  mt-10   -106.3 54.1   Allowed 
63   1  A HIS 63  t-80    60.7   33.0   Favored 
64   1  A VAL 64  t       -100.8 92.3   Favored 
65   1  A GLU 65  mp0     -69.6  74.5   Allowed 
66   1  A ARG 66  ttp85   -76.0  134.4  Favored 
67   1  A GLY 67  ?       168.0  -141.4 Favored 
68   1  A ILE 68  pt      -111.2 158.7  Favored 
69   1  A ASP 69  t70     -62.9  -30.5  Favored 
70   1  A ILE 70  mt      -59.8  -52.6  Favored 
71   1  A VAL 71  t       -68.2  -48.0  Favored 
72   1  A LEU 72  mt      -67.5  -23.2  Favored 
73   1  A ASN 73  t-20    -53.6  -53.8  Favored 
74   1  A HIS 74  t-160   -114.7 -1.6   Favored 
75   1  A LYS 75  mtmm    66.7   70.1   Allowed 
76   1  A LEU 76  mt      -87.7  133.7  Favored 
77   1  A VAL 77  p       -84.7  129.6  Favored 
78   1  A GLU 78  pt-20   -72.4  147.0  Favored 
79   1  A MET 79  mtp     -148.0 144.0  Favored 
80   1  A ASN 80  m-80    -127.0 124.0  Favored 
81   1  A CYS 81  p       -59.0  -15.3  Favored 
82   1  A TYR 82  m-85    -57.3  -48.7  Favored 
83   1  A GLU 83  mt-10   -104.8 -39.2  Favored 
84   1  A ASP 84  m-20    -82.8  20.1   Allowed 
85   1  A ALA 85  ?       -49.7  -46.0  Favored 
86   1  A SER 86  m       -68.3  -50.7  Favored 
87   1  A MET 87  mmm     -60.3  -47.5  Favored 
88   1  A PHE 88  t80     -64.0  -36.2  Favored 
89   1  A LYS 89  tppt?   -63.7  -37.4  Favored 
90   1  A ALA 90  ?       -61.5  -49.0  Favored 
91   1  A TYR 91  m-85    -65.2  -32.2  Favored 
92   1  A ILE 92  mm      -66.2  -41.2  Favored 
93   1  A LYS 93  tppp?   -67.0  -36.4  Favored 
94   1  A LYS 94  mttt    -64.4  -47.0  Favored 
95   1  A PHE 95  t80     -53.8  -62.4  Allowed 
96   1  A MET 96  ptm     -62.3  -38.1  Favored 
97   1  A LYS 97  tptt    -66.2  -42.3  Favored 
98   1  A ASN 98  t30     -65.6  -54.1  Favored 
99   1  A VAL 99  m       -67.4  -40.2  Favored 
100  1  A ILE 100 mt      -69.4  -45.7  Favored 
101  1  A ASP 101 t70     -64.8  -35.2  Favored 
102  1  A HIS 102 t-80    -59.4  -47.4  Favored 
103  1  A MET 103 tpt     -71.4  -28.3  Favored 
104  1  A GLU 104 mm-40   -67.4  -23.5  Favored 
105  1  A LYS 105 ttpt    -86.0  -30.6  Favored 
106  1  A ASN 106 m-20    -76.3  -36.6  Favored 
107  1  A ASN 107 t-20    -118.5 -66.7  Allowed 
108  1  A ARG 108 OUTLIER 74.9   -30.5  Allowed 
109  1  A ASP 109 t70     -68.9  -16.9  Favored 
110  1  A LYS 110 mmtm    80.0   -2.5   Favored 
111  1  A ALA 111 ?       -66.0  -60.4  Favored 
112  1  A ASP 112 m-20    -91.1  -34.3  Favored 
113  1  A VAL 113 m       -69.0  -44.8  Favored 
114  1  A ASP 114 t70     -72.5  -32.9  Favored 
115  1  A ALA 115 ?       -65.5  -53.1  Favored 
116  1  A PHE 116 t80     -56.8  -37.6  Favored 
117  1  A LYS 117 tttt    -64.1  -44.3  Favored 
118  1  A LYS 118 mmtm    -63.4  -38.5  Favored 
119  1  A LYS 119 mmmm    -71.7  -49.5  Favored 
120  1  A ILE 120 tp      -74.0  -37.6  Favored 
121  1  A GLN 121 OUTLIER -68.3  -45.5  Favored 
122  1  A GLY 122 ?       -62.7  -39.0  Favored 
123  1  A TRP 123 t-105   -64.2  -50.7  Favored 
124  1  A VAL 124 m       -67.6  -38.2  Favored 
125  1  A VAL 125 t       -61.0  -39.9  Favored 
126  1  A SER 126 t       -70.6  -45.4  Favored 
127  1  A LEU 127 tp      -65.7  -32.0  Favored 
128  1  A LEU 128 mt      -88.5  3.1    Favored 
129  1  A ALA 129 ?       -82.2  92.5   Favored 
130  1  A LYS 130 mtmt    -60.4  -9.2   Favored 
131  1  A ASP 131 m-20    -53.6  -47.6  Favored 
132  1  A ARG 132 OUTLIER -111.9 -34.4  Favored 
133  1  A PHE 133 m-85    -73.3  -0.3   Favored 
134  1  A LYS 134 ptmt    -50.6  -9.5   OUTLIER 
135  1  A ASN 135 p-10    -81.9  6.8    Favored 
136  1  A LEU 136 mt      -89.4  141.0  Favored 
137  1  A ALA 137 ?       -127.6 113.3  Favored 
138  1  A PHE 138 m-85    -87.6  136.5  Favored 
139  1  A PHE 139 m-85    -135.4 153.3  Favored 
140  1  A ILE 140 tt      -139.0 145.3  Favored 
141  1  A GLY 141 ?       -56.7  131.3  Favored 
142  1  A GLU 142 pt-20   -46.0  -33.7  Favored 
143  1  A ARG 143 mmt85   -73.5  -49.3  Favored 
144  1  A ALA 144 ?       -65.8  -34.7  Favored 
145  1  A ALA 145 ?       -80.7  -8.9   Favored 
146  1  A GLU 146 tt0     -89.0  -41.8  Favored 
147  1  A GLY 147 ?       -100.7 5.1    Favored 
148  1  A ALA 148 ?       60.5   34.7   Favored 
149  1  A GLU 149 mm-40   -63.2  178.4  Allowed 
150  1  A ASN 150 t30     -88.1  8.2    Favored 
151  1  A GLY 151 ?       -61.2  144.7  Favored 
152  1  A GLN 152 pt20    -85.0  162.7  Favored 
153  1  A VAL 153 t       -87.2  125.4  Favored 
154  1  A ALA 154 ?       -70.2  108.0  Favored 
155  1  A ILE 155 mt      -90.9  103.0  Favored 
156  1  A ILE 156 mm      -93.2  148.0  Favored 
157  1  A GLU 157 OUTLIER -139.2 147.4  Favored 
158  1  A TYR 158 p90     -98.2  134.4  Favored 
159  1  A ARG 159 ttm180  -124.8 153.1  Favored 
160  1  A ASP 160 m-20    -118.8 94.0   Favored 
161  1  A VAL 161 p       -119.4 123.8  Favored 
162  1  A ASP 162 m-20    55.8   32.6   Favored 
163  1  A GLY 163 ?       77.5   23.0   Favored 
164  1  A THR 164 m       -128.1 125.8  Favored 
165  1  A GLU 165 pt-20   -73.5  112.9  Favored 
166  1  A VAL 166 m       -116.9 106.9  Favored 
167  1  A PRO 167 Cg_exo  -76.2  117.0  Favored 
168  1  A THR 168 m       -116.1 124.2  Favored 
169  1  A LEU 169 tp      -77.0  137.7  Favored 
170  1  A MET 170 mtp     -117.6 122.7  Favored 
171  1  A LEU 171 mt      -136.3 147.8  Favored 
172  1  A VAL 172 p       -75.5  144.7  Favored 
173  1  A LYS 173 ptmm?   -57.0  -32.8  Favored 
174  1  A GLU 174 tp10    -85.8  1.1    Favored 
175  1  A ALA 175 ?       -126.5 -1.0   Favored 
176  1  A ILE 176 mm      -121.2 141.2  Favored 
177  1  A ILE 177 mm      -126.9 114.0  Favored 
178  1  A GLU 178 pt-20   -84.5  127.0  Favored 
179  1  A GLU 179 tt0     -116.3 101.8  Favored 
180  1  A LYS 180 ttpt    -68.5  137.8  Favored 
181  1  A CYS 181 t       -131.9 88.3   Favored 
182  1  A LEU 182 mt      -131.2 100.8  Favored 
183  1  A GLU 183 OUTLIER ?      ?      ?       
184  2  A MET 1   mtp     ?      ?      ?       
185  2  A LEU 2   mt      -94.5  115.4  Favored 
186  2  A ILE 3   mt      -99.0  132.5  Favored 
187  2  A TYR 4   m-85    -121.8 132.4  Favored 
188  2  A LYS 5   mppt?   -120.7 120.2  Favored 
189  2  A ASP 6   t70     -69.0  177.9  Favored 
190  2  A ILE 7   pt      -81.9  -29.6  Favored 
191  2  A PHE 8   m-85    -114.0 -38.7  Favored 
192  2  A THR 9   m       -96.3  15.8   Favored 
193  2  A ASP 10  p-10    -54.6  -33.9  Favored 
194  2  A ASP 11  t70     -50.6  -57.4  Favored 
195  2  A GLU 12  pt-20   -123.8 24.3   Favored 
196  2  A LEU 13  tm?     -60.3  -61.1  Favored 
197  2  A SER 14  t       -155.2 161.3  Favored 
198  2  A SER 15  t       172.3  81.9   OUTLIER 
199  2  A ASP 16  t70     -177.8 165.2  Favored 
200  2  A SER 17  p       -67.8  88.3   Allowed 
201  2  A PHE 18  m-85    -109.8 151.7  Favored 
202  2  A PRO 19  Cg_endo -71.7  120.7  Favored 
203  2  A MET 20  OUTLIER -83.9  136.0  Favored 
204  2  A LYS 21  mmmm    -141.8 107.3  Favored 
205  2  A LEU 22  tp      -109.3 133.7  Favored 
206  2  A VAL 23  p       -124.9 137.1  Favored 
207  2  A ASP 24  t70     66.4   4.3    Favored 
208  2  A ASP 25  t70     59.5   11.7   Favored 
209  2  A LEU 26  tp      -113.0 -41.5  Favored 
210  2  A VAL 27  t       -119.5 130.9  Favored 
211  2  A TYR 28  t80     -93.6  117.8  Favored 
212  2  A GLU 29  pt-20   -97.4  119.6  Favored 
213  2  A PHE 30  t80     -110.8 106.2  Favored 
214  2  A LYS 31  tttt    -66.0  113.5  Favored 
215  2  A GLY 32  ?       -97.1  165.4  Favored 
216  2  A LYS 33  ptpt    -94.4  125.4  Favored 
217  2  A HIS 34  OUTLIER -73.6  106.8  Favored 
218  2  A VAL 35  m       -139.2 162.2  Favored 
219  2  A VAL 36  m       -109.6 124.0  Favored 
220  2  A ARG 37  tpt180  -132.7 108.1  Favored 
221  2  A LYS 38  ptmm?   -129.7 160.5  Favored 
222  2  A GLU 39  pt-20   50.7   -76.1  OUTLIER 
223  2  A GLY 40  ?       -173.3 32.4   Allowed 
224  2  A GLU 41  tp10    -147.4 146.7  Favored 
225  2  A ILE 42  tp      -106.2 104.1  Favored 
226  2  A VAL 43  p       -146.1 103.4  Allowed 
227  2  A LEU 44  mm?     -56.5  86.3   OUTLIER 
228  2  A ALA 45  ?       -65.7  -44.3  Favored 
229  2  A GLY 46  ?       59.6   -145.7 Favored 
230  2  A SER 47  m       -88.4  86.0   Favored 
231  2  A ASN 48  t30     -155.1 -50.8  OUTLIER 
232  2  A PRO 49  Cg_endo -88.8  -171.1 Allowed 
233  2  A SER 50  p       -66.5  97.4   Allowed 
234  2  A ALA 51  ?       -66.4  -30.8  Favored 
235  2  A GLU 52  mm-40   -91.5  22.6   Favored 
236  2  A GLU 53  tm-20   -135.0 149.8  Favored 
237  2  A GLY 54  ?       -87.7  0.2    Favored 
238  2  A ALA 55  ?       77.2   -52.9  Allowed 
239  2  A GLU 56  tp10    -149.2 130.8  Favored 
240  2  A ASP 57  t70     -87.7  -34.8  Favored 
241  2  A ASP 58  t70     -73.2  91.5   Allowed 
242  2  A GLY 59  ?       125.7  -25.6  Favored 
243  2  A SER 60  t       -117.4 51.9   Allowed 
244  2  A ASP 61  m-20    -71.5  -51.0  Favored 
245  2  A GLU 62  mp0     -69.6  -23.9  Favored 
246  2  A HIS 63  m-70    60.6   84.0   Allowed 
247  2  A VAL 64  t       -74.1  -96.9  OUTLIER 
248  2  A GLU 65  pt-20   65.2   -36.1  Allowed 
249  2  A ARG 66  mmt180  -132.7 110.9  Favored 
250  2  A GLY 67  ?       -163.0 168.6  Favored 
251  2  A ILE 68  pt      -109.6 160.1  Favored 
252  2  A ASP 69  t70     -39.1  -40.5  Allowed 
253  2  A ILE 70  mm      -56.5  -42.4  Favored 
254  2  A VAL 71  t       -85.3  -49.5  Favored 
255  2  A LEU 72  mt      -72.1  -49.0  Favored 
256  2  A ASN 73  t30     -69.8  -26.0  Favored 
257  2  A HIS 74  m80     -103.4 -14.9  Favored 
258  2  A LYS 75  mtpm?   60.1   70.0   Allowed 
259  2  A LEU 76  mt      -96.6  142.1  Favored 
260  2  A VAL 77  p       -96.0  124.2  Favored 
261  2  A GLU 78  OUTLIER -53.4  151.1  Favored 
262  2  A MET 79  tpt     -147.0 103.6  Favored 
263  2  A ASN 80  m-20    -94.2  94.0   Favored 
264  2  A CYS 81  p       -68.9  -31.0  Favored 
265  2  A TYR 82  m-85    -72.1  -21.2  Favored 
266  2  A GLU 83  mp0     -105.2 -16.7  Favored 
267  2  A ASP 84  t70     -127.4 23.5   Favored 
268  2  A ALA 85  ?       -48.2  -28.9  Favored 
269  2  A SER 86  m       -62.2  -59.2  Favored 
270  2  A MET 87  mmm     -64.7  -39.2  Favored 
271  2  A PHE 88  t80     -61.1  -46.2  Favored 
272  2  A LYS 89  tptt    -61.3  -35.3  Favored 
273  2  A ALA 90  ?       -68.1  -40.6  Favored 
274  2  A TYR 91  m-85    -67.4  -43.7  Favored 
275  2  A ILE 92  mm      -64.1  -33.5  Favored 
276  2  A LYS 93  tmtm?   -61.9  -47.1  Favored 
277  2  A LYS 94  mtmt    -72.8  -40.5  Favored 
278  2  A PHE 95  t80     -55.1  -54.9  Favored 
279  2  A MET 96  ttt     -59.7  -46.1  Favored 
280  2  A LYS 97  tmtm?   -58.2  -44.9  Favored 
281  2  A ASN 98  t-20    -62.6  -50.4  Favored 
282  2  A VAL 99  m       -67.9  -39.2  Favored 
283  2  A ILE 100 mt      -73.4  -38.5  Favored 
284  2  A ASP 101 t70     -67.3  -27.2  Favored 
285  2  A HIS 102 t60     -63.5  -57.9  Favored 
286  2  A MET 103 ptm     -73.9  -19.7  Favored 
287  2  A GLU 104 tt0     -53.8  -55.8  Favored 
288  2  A LYS 105 OUTLIER -61.1  -24.3  Favored 
289  2  A ASN 106 m-20    -94.3  -16.4  Favored 
290  2  A ASN 107 t-20    -129.1 -83.4  Allowed 
291  2  A ARG 108 mtt180  53.6   20.9   Favored 
292  2  A ASP 109 t70     -74.2  -22.0  Favored 
293  2  A LYS 110 mtmp?   86.5   -35.2  OUTLIER 
294  2  A ALA 111 ?       -64.5  -44.4  Favored 
295  2  A ASP 112 m-20    -77.9  -41.5  Favored 
296  2  A VAL 113 m       -70.7  -28.6  Favored 
297  2  A ASP 114 t70     -68.1  -47.8  Favored 
298  2  A ALA 115 ?       -64.1  -38.3  Favored 
299  2  A PHE 116 t80     -65.4  -49.6  Favored 
300  2  A LYS 117 pttp    -67.5  -25.8  Favored 
301  2  A LYS 118 mmmt    -61.9  -51.2  Favored 
302  2  A LYS 119 mmmm    -75.8  -36.5  Favored 
303  2  A ILE 120 tp      -73.2  -37.2  Favored 
304  2  A GLN 121 OUTLIER -67.0  -48.1  Favored 
305  2  A GLY 122 ?       -62.3  -37.3  Favored 
306  2  A TRP 123 t90     -64.4  -55.3  Favored 
307  2  A VAL 124 m       -66.0  -41.7  Favored 
308  2  A VAL 125 m       -62.8  -40.0  Favored 
309  2  A SER 126 t       -73.2  -32.8  Favored 
310  2  A LEU 127 tp      -77.3  -31.2  Favored 
311  2  A LEU 128 mt      -84.0  3.6    Favored 
312  2  A ALA 129 ?       -72.0  84.0   Allowed 
313  2  A LYS 130 ptpt    -66.1  -14.8  Favored 
314  2  A ASP 131 m-20    -67.6  -36.4  Favored 
315  2  A ARG 132 mtp-105 -105.8 -39.1  Favored 
316  2  A PHE 133 m-85    -81.7  -1.4   Favored 
317  2  A LYS 134 pttm    -47.6  -10.8  OUTLIER 
318  2  A ASN 135 m120    -82.0  6.2    Favored 
319  2  A LEU 136 mt      -91.7  154.3  Favored 
320  2  A ALA 137 ?       -140.6 125.7  Favored 
321  2  A PHE 138 m-85    -98.7  153.1  Favored 
322  2  A PHE 139 m-85    -143.6 171.2  Favored 
323  2  A ILE 140 tt      -151.0 149.1  Favored 
324  2  A GLY 141 ?       -53.8  132.8  Favored 
325  2  A GLU 142 tt0     -61.5  -42.6  Favored 
326  2  A ARG 143 OUTLIER -65.7  -33.7  Favored 
327  2  A ALA 144 ?       -68.5  -44.2  Favored 
328  2  A ALA 145 ?       -72.0  -43.1  Favored 
329  2  A GLU 146 tt0     -57.4  -36.6  Favored 
330  2  A GLY 147 ?       -68.6  -52.9  Favored 
331  2  A ALA 148 ?       -167.7 154.8  Favored 
332  2  A GLU 149 OUTLIER -83.1  10.1   Favored 
333  2  A ASN 150 m-20    -88.9  -3.9   Favored 
334  2  A GLY 151 ?       -56.7  151.5  Favored 
335  2  A GLN 152 tt0     -79.5  135.5  Favored 
336  2  A VAL 153 t       -83.4  112.1  Favored 
337  2  A ALA 154 ?       -74.9  115.5  Favored 
338  2  A ILE 155 mt      -92.8  115.2  Favored 
339  2  A ILE 156 mm      -98.8  116.2  Favored 
340  2  A GLU 157 tt0     -97.2  101.5  Favored 
341  2  A TYR 158 m-85    -75.6  89.7   Favored 
342  2  A ARG 159 ttt85   -99.5  149.7  Favored 
343  2  A ASP 160 p-10    -122.5 130.6  Favored 
344  2  A VAL 161 p       -125.1 109.4  Favored 
345  2  A ASP 162 m-20    60.1   28.8   Favored 
346  2  A GLY 163 ?       96.5   -17.1  Favored 
347  2  A THR 164 m       -81.3  112.2  Favored 
348  2  A GLU 165 tt0     -71.8  103.3  Favored 
349  2  A VAL 166 m       -111.0 92.7   Favored 
350  2  A PRO 167 Cg_endo -75.3  116.5  Favored 
351  2  A THR 168 p       -117.2 135.6  Favored 
352  2  A LEU 169 tp      -77.2  114.0  Favored 
353  2  A MET 170 mmm     -102.7 121.5  Favored 
354  2  A LEU 171 mt      -136.0 147.1  Favored 
355  2  A VAL 172 p       -73.0  131.2  Favored 
356  2  A LYS 173 ttpt    -53.6  -34.8  Favored 
357  2  A GLU 174 tp10    -65.2  -18.4  Favored 
358  2  A ALA 175 ?       -127.4 15.9   Favored 
359  2  A ILE 176 tp      -131.5 119.0  Favored 
360  2  A ILE 177 mm      -107.4 113.7  Favored 
361  2  A GLU 178 pt-20   -70.6  154.5  Favored 
362  2  A GLU 179 tp10    -147.5 101.6  Favored 
363  2  A LYS 180 mttp    -83.5  94.5   Favored 
364  2  A CYS 181 t       -96.5  89.7   Favored 
365  2  A LEU 182 pp      -153.9 172.8  Favored 
366  2  A GLU 183 mm-40   ?      ?      ?       
367  3  A MET 1   ptt?    ?      ?      ?       
368  3  A LEU 2   mt      -136.0 161.5  Favored 
369  3  A ILE 3   mt      -96.7  120.4  Favored 
370  3  A TYR 4   m-85    -112.5 97.0   Favored 
371  3  A LYS 5   ptmm?   -107.4 127.2  Favored 
372  3  A ASP 6   t70     -74.2  178.2  Favored 
373  3  A ILE 7   mt      -76.2  -38.7  Favored 
374  3  A PHE 8   m-85    -111.7 -50.8  Favored 
375  3  A THR 9   p       -90.2  17.6   Favored 
376  3  A ASP 10  p-10    -55.2  -26.6  Favored 
377  3  A ASP 11  m-20    -49.5  -62.2  Allowed 
378  3  A GLU 12  mt-10   -123.6 24.1   Favored 
379  3  A LEU 13  tm?     -59.4  -73.6  Allowed 
380  3  A SER 14  m       -149.7 151.9  Favored 
381  3  A SER 15  m       -155.8 111.9  Favored 
382  3  A ASP 16  p-10    51.9   -90.1  OUTLIER 
383  3  A SER 17  p       -60.7  5.8    OUTLIER 
384  3  A PHE 18  m-85    -100.4 146.9  Favored 
385  3  A PRO 19  Cg_endo -91.4  173.1  Favored 
386  3  A MET 20  ptt?    -114.1 151.7  Favored 
387  3  A LYS 21  tttt    -149.4 97.5   Favored 
388  3  A LEU 22  tp      -91.7  122.0  Favored 
389  3  A VAL 23  p       -111.0 134.3  Favored 
390  3  A ASP 24  t70     58.3   21.7   Favored 
391  3  A ASP 25  t70     68.2   -9.3   Allowed 
392  3  A LEU 26  tp      -102.8 -52.6  Favored 
393  3  A VAL 27  t       -103.7 129.1  Favored 
394  3  A TYR 28  t80     -83.3  112.8  Favored 
395  3  A GLU 29  tt0     -96.8  121.6  Favored 
396  3  A PHE 30  t80     -113.1 136.6  Favored 
397  3  A LYS 31  OUTLIER -61.8  136.2  Favored 
398  3  A GLY 32  ?       -154.6 146.2  Favored 
399  3  A LYS 33  ptmt    -143.8 151.8  Favored 
400  3  A HIS 34  t-80    -75.0  124.3  Favored 
401  3  A VAL 35  m       -143.5 160.6  Favored 
402  3  A VAL 36  m       -120.1 103.5  Favored 
403  3  A ARG 37  mtp180  -101.1 155.7  Favored 
404  3  A LYS 38  ttpp    -135.5 161.8  Favored 
405  3  A GLU 39  pt-20   -43.4  -32.4  Allowed 
406  3  A GLY 40  ?       -146.8 54.8   Allowed 
407  3  A GLU 41  tt0     -164.0 150.7  Favored 
408  3  A ILE 42  tp      -163.6 87.4   OUTLIER 
409  3  A VAL 43  m       -122.1 -7.8   Favored 
410  3  A LEU 44  mm?     58.0   75.5   Allowed 
411  3  A ALA 45  ?       -101.6 -13.5  Favored 
412  3  A GLY 46  ?       79.4   87.8   Allowed 
413  3  A SER 47  t       -76.9  84.5   Favored 
414  3  A ASN 48  t-20    -161.3 111.5  Allowed 
415  3  A PRO 49  Cg_endo -70.8  -37.0  Favored 
416  3  A SER 50  p       -167.1 -179.8 Favored 
417  3  A ALA 51  ?       -69.3  92.7   Allowed 
418  3  A GLU 52  pt-20   -169.1 -167.9 Allowed 
419  3  A GLU 53  mt-10   -66.7  -39.3  Favored 
420  3  A GLY 54  ?       83.2   18.1   Favored 
421  3  A ALA 55  ?       -82.7  87.0   Favored 
422  3  A GLU 56  tp10    -58.8  115.8  Favored 
423  3  A ASP 57  t70     62.6   45.8   Favored 
424  3  A ASP 58  m-20    66.1   14.4   Favored 
425  3  A GLY 59  ?       -171.7 -130.4 Allowed 
426  3  A SER 60  p       71.4   -23.4  Allowed 
427  3  A ASP 61  t70     -74.0  80.7   Allowed 
428  3  A GLU 62  tm-20   -175.1 -52.8  OUTLIER 
429  3  A HIS 63  m-70    -76.5  -47.3  Favored 
430  3  A VAL 64  t       -79.2  97.8   Favored 
431  3  A GLU 65  mt-10   -85.6  70.5   Favored 
432  3  A ARG 66  ttp180  -96.5  139.2  Favored 
433  3  A GLY 67  ?       140.7  -132.0 Favored 
434  3  A ILE 68  OUTLIER -99.9  134.0  Favored 
435  3  A ASP 69  t70     -36.8  -48.3  Allowed 
436  3  A ILE 70  mm      -50.3  -53.3  Favored 
437  3  A VAL 71  t       -80.8  -23.2  Favored 
438  3  A LEU 72  mt      -77.5  -38.1  Favored 
439  3  A ASN 73  t-20    -79.5  -49.4  Favored 
440  3  A HIS 74  OUTLIER -82.9  -21.4  Favored 
441  3  A LYS 75  mtmm    63.1   67.0   Allowed 
442  3  A LEU 76  mt      -93.2  162.7  Favored 
443  3  A VAL 77  p       -113.1 135.7  Favored 
444  3  A GLU 78  pt-20   -68.1  152.8  Favored 
445  3  A MET 79  mtm     -146.1 104.9  Favored 
446  3  A ASN 80  m-80    -71.7  124.6  Favored 
447  3  A CYS 81  m       -56.3  -30.9  Favored 
448  3  A TYR 82  m-85    -69.5  -45.5  Favored 
449  3  A GLU 83  mm-40   -97.7  -28.2  Favored 
450  3  A ASP 84  m-20    -102.0 19.5   Favored 
451  3  A ALA 85  ?       -52.5  -27.8  Favored 
452  3  A SER 86  t       -72.8  -55.5  Favored 
453  3  A MET 87  mtt     -64.1  -37.2  Favored 
454  3  A PHE 88  t80     -54.0  -49.1  Favored 
455  3  A LYS 89  OUTLIER -64.6  -34.9  Favored 
456  3  A ALA 90  ?       -63.7  -47.5  Favored 
457  3  A TYR 91  m-85    -67.7  -32.7  Favored 
458  3  A ILE 92  mm      -67.3  -44.7  Favored 
459  3  A LYS 93  tmmt?   -60.6  -40.6  Favored 
460  3  A LYS 94  tptt    -63.3  -50.2  Favored 
461  3  A PHE 95  t80     -56.5  -51.0  Favored 
462  3  A MET 96  ptp     -67.5  -40.3  Favored 
463  3  A LYS 97  tptm    -68.4  -38.7  Favored 
464  3  A ASN 98  t30     -58.5  -55.7  Favored 
465  3  A VAL 99  m       -71.4  -40.0  Favored 
466  3  A ILE 100 mt      -73.2  -45.8  Favored 
467  3  A ASP 101 t70     -56.0  -38.5  Favored 
468  3  A HIS 102 t-80    -56.3  -58.1  Favored 
469  3  A MET 103 mmm     -70.3  -26.7  Favored 
470  3  A GLU 104 tt0     -64.3  -45.9  Favored 
471  3  A LYS 105 pttt    -89.3  -9.6   Favored 
472  3  A ASN 106 OUTLIER -90.2  -22.9  Favored 
473  3  A ASN 107 m-80    -124.9 -44.0  Allowed 
474  3  A ARG 108 OUTLIER 60.0   25.6   Favored 
475  3  A ASP 109 t70     -119.1 126.6  Favored 
476  3  A LYS 110 pttm    -62.2  -36.0  Favored 
477  3  A ALA 111 ?       -73.3  -23.3  Favored 
478  3  A ASP 112 t70     -81.1  -60.6  Favored 
479  3  A VAL 113 m       -67.5  -35.5  Favored 
480  3  A ASP 114 t70     -80.5  -33.9  Favored 
481  3  A ALA 115 ?       -73.7  -33.3  Favored 
482  3  A PHE 116 t80     -71.5  -40.6  Favored 
483  3  A LYS 117 tttt    -62.3  -38.6  Favored 
484  3  A LYS 118 tmtp?   -66.8  -40.4  Favored 
485  3  A LYS 119 tppt?   -71.7  -37.2  Favored 
486  3  A ILE 120 mm      -65.0  -47.8  Favored 
487  3  A GLN 121 tt0     -60.1  -37.8  Favored 
488  3  A GLY 122 ?       -59.5  -51.5  Favored 
489  3  A TRP 123 t-105   -65.8  -51.2  Favored 
490  3  A VAL 124 m       -70.9  -41.7  Favored 
491  3  A VAL 125 t       -66.6  -32.3  Favored 
492  3  A SER 126 t       -70.6  -32.6  Favored 
493  3  A LEU 127 tp      -76.0  -40.4  Favored 
494  3  A LEU 128 mt      -77.7  1.7    Favored 
495  3  A ALA 129 ?       -73.2  130.0  Favored 
496  3  A LYS 130 mtmt    -68.1  -6.5   Favored 
497  3  A ASP 131 t70     -68.5  -30.3  Favored 
498  3  A ARG 132 mtt180  -81.3  -33.2  Favored 
499  3  A PHE 133 m-85    -67.0  -20.2  Favored 
500  3  A LYS 134 pttm    -62.0  -30.9  Favored 
501  3  A ASN 135 p-10    -127.6 25.5   Favored 
502  3  A LEU 136 mt      -100.3 144.3  Favored 
503  3  A ALA 137 ?       -139.4 121.1  Favored 
504  3  A PHE 138 m-85    -93.6  134.3  Favored 
505  3  A PHE 139 m-85    -130.1 141.0  Favored 
506  3  A ILE 140 tt      -120.9 159.2  Favored 
507  3  A GLY 141 ?       -57.2  129.7  Favored 
508  3  A GLU 142 tt0     -57.3  -41.5  Favored 
509  3  A ARG 143 mtt180  -69.5  -38.5  Favored 
510  3  A ALA 144 ?       -65.3  -31.4  Favored 
511  3  A ALA 145 ?       -79.2  5.4    Favored 
512  3  A GLU 146 mt-10   -89.8  -10.3  Favored 
513  3  A GLY 147 ?       -153.6 -55.5  OUTLIER 
514  3  A ALA 148 ?       -74.8  83.3   Favored 
515  3  A GLU 149 pt-20   -81.9  -2.2   Favored 
516  3  A ASN 150 m-80    -132.1 78.8   Allowed 
517  3  A GLY 151 ?       -123.9 -166.6 Favored 
518  3  A GLN 152 tt0     -101.6 142.1  Favored 
519  3  A VAL 153 t       -109.4 131.9  Favored 
520  3  A ALA 154 ?       -69.7  109.5  Favored 
521  3  A ILE 155 mt      -85.6  105.5  Favored 
522  3  A ILE 156 mm      -103.6 119.6  Favored 
523  3  A GLU 157 pt-20   -124.9 127.8  Favored 
524  3  A TYR 158 m-85    -76.0  110.6  Favored 
525  3  A ARG 159 mmt85   -101.9 172.8  Favored 
526  3  A ASP 160 m-20    -122.6 119.1  Favored 
527  3  A VAL 161 p       -122.7 118.5  Favored 
528  3  A ASP 162 m-20    67.8   -67.6  Allowed 
529  3  A GLY 163 ?       -174.8 35.7   Allowed 
530  3  A THR 164 t       -141.9 158.2  Favored 
531  3  A GLU 165 mm-40   -78.8  114.5  Favored 
532  3  A VAL 166 p       -117.7 89.1   Favored 
533  3  A PRO 167 Cg_endo -82.6  122.5  Favored 
534  3  A THR 168 p       -105.4 140.0  Favored 
535  3  A LEU 169 tp      -82.4  123.3  Favored 
536  3  A MET 170 OUTLIER -114.0 123.1  Favored 
537  3  A LEU 171 mt      -141.0 145.5  Favored 
538  3  A VAL 172 p       -76.8  134.9  Favored 
539  3  A LYS 173 ttpm?   -56.8  -36.8  Favored 
540  3  A GLU 174 mp0     -68.5  -25.9  Favored 
541  3  A ALA 175 ?       -97.6  -1.9   Favored 
542  3  A ILE 176 mm      -102.5 132.1  Favored 
543  3  A ILE 177 mm      -93.2  111.8  Favored 
544  3  A GLU 178 tm-20   -76.3  104.3  Favored 
545  3  A GLU 179 tp10    -104.0 111.1  Favored 
546  3  A LYS 180 OUTLIER -79.4  129.7  Favored 
547  3  A CYS 181 t       -100.8 104.3  Favored 
548  3  A LEU 182 mm?     -125.3 161.7  Favored 
549  3  A GLU 183 tt0     ?      ?      ?       
550  4  A MET 1   mmm     ?      ?      ?       
551  4  A LEU 2   mt      -84.3  123.8  Favored 
552  4  A ILE 3   pt      -99.4  128.6  Favored 
553  4  A TYR 4   m-85    -123.0 124.2  Favored 
554  4  A LYS 5   pttm    -145.8 147.1  Favored 
555  4  A ASP 6   t70     -101.2 124.1  Favored 
556  4  A ILE 7   pt      -66.6  -26.9  Favored 
557  4  A PHE 8   m-85    -80.6  -61.0  Favored 
558  4  A THR 9   m       -125.5 -46.5  Allowed 
559  4  A ASP 10  t0      -101.4 24.1   Favored 
560  4  A ASP 11  p-10    -50.8  -2.3   OUTLIER 
561  4  A GLU 12  mt-10   -99.6  -41.5  Favored 
562  4  A LEU 13  tp      36.5   -88.7  OUTLIER 
563  4  A SER 14  m       -157.3 134.5  Favored 
564  4  A SER 15  m       -130.7 97.9   Favored 
565  4  A ASP 16  t70     -166.5 -90.6  OUTLIER 
566  4  A SER 17  m       -170.2 78.7   Allowed 
567  4  A PHE 18  m-85    -112.4 139.1  Favored 
568  4  A PRO 19  Cg_exo  -53.8  117.6  Favored 
569  4  A MET 20  OUTLIER -114.9 134.3  Favored 
570  4  A LYS 21  ttmt    -137.2 140.2  Favored 
571  4  A LEU 22  tp      -131.8 108.1  Favored 
572  4  A VAL 23  p       -100.3 133.6  Favored 
573  4  A ASP 24  t70     59.9   14.7   Favored 
574  4  A ASP 25  t70     58.2   10.4   Allowed 
575  4  A LEU 26  tp      -103.9 -47.1  Favored 
576  4  A VAL 27  t       -126.9 131.5  Favored 
577  4  A TYR 28  t80     -85.2  135.1  Favored 
578  4  A GLU 29  tt0     -118.0 145.0  Favored 
579  4  A PHE 30  t80     -132.0 138.4  Favored 
580  4  A LYS 31  OUTLIER -74.3  153.9  Favored 
581  4  A GLY 32  ?       -159.1 159.7  Favored 
582  4  A LYS 33  mttt    -134.8 138.9  Favored 
583  4  A HIS 34  p80     -70.6  120.5  Favored 
584  4  A VAL 35  m       -148.8 -178.6 Allowed 
585  4  A VAL 36  m       -131.9 156.1  Favored 
586  4  A ARG 37  ttm180  -140.1 132.6  Favored 
587  4  A LYS 38  mttp    -133.4 156.2  Favored 
588  4  A GLU 39  mt-10   -60.1  -38.6  Favored 
589  4  A GLY 40  ?       -104.8 -44.0  Allowed 
590  4  A GLU 41  mm-40   -95.9  163.3  Favored 
591  4  A ILE 42  tp      -161.2 104.0  OUTLIER 
592  4  A VAL 43  p       -157.1 101.2  OUTLIER 
593  4  A LEU 44  pp      -93.7  -3.4   Favored 
594  4  A ALA 45  ?       -67.3  94.2   Allowed 
595  4  A GLY 46  ?       -152.4 -86.2  OUTLIER 
596  4  A SER 47  m       -145.8 147.3  Favored 
597  4  A ASN 48  m-20    -62.6  -46.3  Favored 
598  4  A PRO 49  Cg_endo -74.1  94.4   Allowed 
599  4  A SER 50  m       -77.0  1.3    Favored 
600  4  A ALA 51  ?       65.8   14.4   Favored 
601  4  A GLU 52  tt0     -71.5  -11.1  Favored 
602  4  A GLU 53  tt0     -94.3  106.7  Favored 
603  4  A GLY 54  ?       81.3   -61.6  Favored 
604  4  A ALA 55  ?       -68.1  -29.0  Favored 
605  4  A GLU 56  mm-40   -85.8  114.3  Favored 
606  4  A ASP 57  t70     -58.9  137.6  Favored 
607  4  A ASP 58  t70     -63.2  101.2  Allowed 
608  4  A GLY 59  ?       99.0   6.7    Favored 
609  4  A SER 60  t       -101.2 92.3   Favored 
610  4  A ASP 61  p-10    -134.2 -3.8   Favored 
611  4  A GLU 62  mm-40   68.5   -72.0  Allowed 
612  4  A HIS 63  t60     -162.0 36.9   Allowed 
613  4  A VAL 64  t       -100.3 114.5  Favored 
614  4  A GLU 65  mp0     -75.3  73.9   Favored 
615  4  A ARG 66  ptm180  -92.2  135.5  Favored 
616  4  A GLY 67  ?       152.4  -154.4 Favored 
617  4  A ILE 68  pt      -94.6  153.3  Favored 
618  4  A ASP 69  t70     -42.9  -46.7  Favored 
619  4  A ILE 70  mt      -60.4  -48.0  Favored 
620  4  A VAL 71  t       -72.8  -42.6  Favored 
621  4  A LEU 72  mt      -67.5  -36.3  Favored 
622  4  A ASN 73  t-20    -59.6  -62.0  Favored 
623  4  A HIS 74  t-80    -81.6  -17.7  Favored 
624  4  A LYS 75  ttmm    64.4   61.1   Allowed 
625  4  A LEU 76  mt      -82.1  133.5  Favored 
626  4  A VAL 77  p       -91.9  138.4  Favored 
627  4  A GLU 78  tt0     -67.3  147.4  Favored 
628  4  A MET 79  tmm?    -132.6 103.1  Favored 
629  4  A ASN 80  t-20    -69.1  116.5  Favored 
630  4  A CYS 81  p       -64.0  -28.8  Favored 
631  4  A TYR 82  m-85    -73.3  -58.9  Favored 
632  4  A GLU 83  pt-20   -103.5 -6.7   Favored 
633  4  A ASP 84  m-20    -121.2 22.7   Favored 
634  4  A ALA 85  ?       -51.6  -35.2  Favored 
635  4  A SER 86  m       -64.1  -38.3  Favored 
636  4  A MET 87  mtt     -60.2  -45.8  Favored 
637  4  A PHE 88  t80     -63.1  -35.4  Favored 
638  4  A LYS 89  mttt    -75.9  -25.3  Favored 
639  4  A ALA 90  ?       -67.3  -45.9  Favored 
640  4  A TYR 91  m-85    -54.1  -54.5  Favored 
641  4  A ILE 92  mm      -58.0  -42.5  Favored 
642  4  A LYS 93  ttmm    -59.8  -55.6  Favored 
643  4  A LYS 94  OUTLIER -69.7  -37.8  Favored 
644  4  A PHE 95  t80     -56.0  -57.0  Favored 
645  4  A MET 96  ttm     -67.9  -40.1  Favored 
646  4  A LYS 97  mmtt    -61.7  -44.7  Favored 
647  4  A ASN 98  t-20    -70.6  -45.2  Favored 
648  4  A VAL 99  m       -67.6  -40.6  Favored 
649  4  A ILE 100 mt      -73.4  -39.5  Favored 
650  4  A ASP 101 t70     -67.2  -38.7  Favored 
651  4  A HIS 102 t-160   -73.9  -44.8  Favored 
652  4  A MET 103 OUTLIER -58.6  -40.4  Favored 
653  4  A GLU 104 tt0     -65.7  -29.7  Favored 
654  4  A LYS 105 tttt    -75.1  -40.1  Favored 
655  4  A ASN 106 m-20    -73.2  -34.5  Favored 
656  4  A ASN 107 t30     -100.6 -46.0  Favored 
657  4  A ARG 108 ttt180  77.8   -17.2  Allowed 
658  4  A ASP 109 t70     -96.6  126.3  Favored 
659  4  A LYS 110 mmtp    -77.7  -27.1  Favored 
660  4  A ALA 111 ?       -65.7  -38.6  Favored 
661  4  A ASP 112 t70     -85.6  -33.5  Favored 
662  4  A VAL 113 m       -79.0  -28.1  Favored 
663  4  A ASP 114 t70     -67.0  -42.1  Favored 
664  4  A ALA 115 ?       -66.4  -45.9  Favored 
665  4  A PHE 116 t80     -56.3  -45.8  Favored 
666  4  A LYS 117 tmtp?   -57.4  -47.9  Favored 
667  4  A LYS 118 mtpt    -69.0  -26.5  Favored 
668  4  A LYS 119 mmtp    -78.1  -35.5  Favored 
669  4  A ILE 120 mm      -69.7  -44.2  Favored 
670  4  A GLN 121 tm0?    -58.4  -46.5  Favored 
671  4  A GLY 122 ?       -62.0  -43.4  Favored 
672  4  A TRP 123 t-105   -64.6  -51.5  Favored 
673  4  A VAL 124 m       -71.0  -41.2  Favored 
674  4  A VAL 125 p       -62.4  -33.0  Favored 
675  4  A SER 126 t       -72.3  -42.1  Favored 
676  4  A LEU 127 tp      -79.1  -20.1  Favored 
677  4  A LEU 128 mt      -83.4  4.1    Favored 
678  4  A ALA 129 ?       -69.3  156.3  Favored 
679  4  A LYS 130 ttpm?   -62.3  -45.0  Favored 
680  4  A ASP 131 m-20    -68.5  -24.5  Favored 
681  4  A ARG 132 mmt180  -68.7  -54.5  Favored 
682  4  A PHE 133 m-85    -59.9  -22.5  Favored 
683  4  A LYS 134 tptt    -66.6  -27.8  Favored 
684  4  A ASN 135 m-20    -115.8 0.1    Favored 
685  4  A LEU 136 mt      -89.4  132.4  Favored 
686  4  A ALA 137 ?       -129.5 117.0  Favored 
687  4  A PHE 138 m-85    -90.4  143.4  Favored 
688  4  A PHE 139 m-85    -140.7 152.9  Favored 
689  4  A ILE 140 pt      -144.9 173.0  Favored 
690  4  A GLY 141 ?       -59.9  134.2  Favored 
691  4  A GLU 142 tt0     -40.6  -48.1  Favored 
692  4  A ARG 143 ptt180  -64.0  -28.6  Favored 
693  4  A ALA 144 ?       -70.5  -14.5  Favored 
694  4  A ALA 145 ?       -75.4  -2.9   Favored 
695  4  A GLU 146 tt0     -81.5  -33.1  Favored 
696  4  A GLY 147 ?       -172.1 -2.1   OUTLIER 
697  4  A ALA 148 ?       -87.1  75.1   Favored 
698  4  A GLU 149 pt-20   -88.6  -0.5   Favored 
699  4  A ASN 150 m-80    -130.6 79.4   Allowed 
700  4  A GLY 151 ?       -147.7 -148.6 Favored 
701  4  A GLN 152 OUTLIER -105.0 152.9  Favored 
702  4  A VAL 153 t       -113.2 132.2  Favored 
703  4  A ALA 154 ?       -73.7  101.4  Favored 
704  4  A ILE 155 mt      -89.5  120.3  Favored 
705  4  A ILE 156 mm      -105.6 119.4  Favored 
706  4  A GLU 157 tp10    -103.9 111.7  Favored 
707  4  A TYR 158 m-85    -75.6  89.8   Favored 
708  4  A ARG 159 ttt180  -89.6  164.7  Favored 
709  4  A ASP 160 m-20    -122.5 115.2  Favored 
710  4  A VAL 161 p       -120.4 97.9   Favored 
711  4  A ASP 162 m-20    65.6   11.6   Favored 
712  4  A GLY 163 ?       118.8  -14.3  Favored 
713  4  A THR 164 m       -88.7  111.5  Favored 
714  4  A GLU 165 OUTLIER -71.7  114.4  Favored 
715  4  A VAL 166 m       -123.5 98.2   Favored 
716  4  A PRO 167 Cg_endo -65.6  112.8  Favored 
717  4  A THR 168 p       -114.0 134.2  Favored 
718  4  A LEU 169 tp      -77.3  140.9  Favored 
719  4  A MET 170 ptp     -131.8 129.4  Favored 
720  4  A LEU 171 mt      -131.0 137.4  Favored 
721  4  A VAL 172 p       -72.1  143.1  Favored 
722  4  A LYS 173 tttp    -32.6  -50.4  Allowed 
723  4  A GLU 174 tm-20   -68.8  -38.9  Favored 
724  4  A ALA 175 ?       -98.1  -6.5   Favored 
725  4  A ILE 176 tp      -108.4 136.6  Favored 
726  4  A ILE 177 mm      -125.8 118.4  Favored 
727  4  A GLU 178 tt0     -120.7 123.5  Favored 
728  4  A GLU 179 mt-10   -141.2 149.5  Favored 
729  4  A LYS 180 tttt    -98.7  96.8   Favored 
730  4  A CYS 181 t       -112.6 93.9   Favored 
731  4  A LEU 182 mm?     -76.3  117.2  Favored 
732  4  A GLU 183 mm-40   ?      ?      ?       
733  5  A MET 1   mmt     ?      ?      ?       
734  5  A LEU 2   mt      -110.1 135.1  Favored 
735  5  A ILE 3   tt      -95.1  120.2  Favored 
736  5  A TYR 4   m-85    -105.9 126.0  Favored 
737  5  A LYS 5   pttt    -151.2 159.5  Favored 
738  5  A ASP 6   t70     -87.2  144.9  Favored 
739  5  A ILE 7   pt      -66.6  -11.6  Favored 
740  5  A PHE 8   m-85    -108.2 -59.5  Allowed 
741  5  A THR 9   p       -126.0 -32.5  Favored 
742  5  A ASP 10  m-20    -81.8  21.9   Allowed 
743  5  A ASP 11  m-20    -48.5  -21.0  Allowed 
744  5  A GLU 12  tp10    -113.8 28.1   Favored 
745  5  A LEU 13  tp      -57.4  -83.2  OUTLIER 
746  5  A SER 14  m       -155.6 126.7  Favored 
747  5  A SER 15  p       -133.8 102.0  Favored 
748  5  A ASP 16  t70     -172.7 -176.3 Allowed 
749  5  A SER 17  m       -79.7  84.9   Favored 
750  5  A PHE 18  m-85    -102.2 129.7  Favored 
751  5  A PRO 19  Cg_endo -56.2  122.1  Favored 
752  5  A MET 20  mtm     -83.8  144.1  Favored 
753  5  A LYS 21  tttp    -143.1 101.7  Favored 
754  5  A LEU 22  tp      -103.7 126.4  Favored 
755  5  A VAL 23  p       -116.7 129.2  Favored 
756  5  A ASP 24  m-20    64.5   12.0   Favored 
757  5  A ASP 25  m-20    55.6   11.2   Allowed 
758  5  A LEU 26  tp      -105.7 -44.2  Favored 
759  5  A VAL 27  t       -124.6 130.0  Favored 
760  5  A TYR 28  t80     -90.2  117.6  Favored 
761  5  A GLU 29  mt-10   -92.8  126.3  Favored 
762  5  A PHE 30  t80     -107.5 127.9  Favored 
763  5  A LYS 31  mmtt    -68.2  145.2  Favored 
764  5  A GLY 32  ?       -164.3 162.2  Favored 
765  5  A LYS 33  tppp?   -129.4 143.0  Favored 
766  5  A HIS 34  p80     -67.9  117.5  Favored 
767  5  A VAL 35  m       -140.4 162.9  Favored 
768  5  A VAL 36  m       -123.6 131.9  Favored 
769  5  A ARG 37  mtp180  -105.3 108.1  Favored 
770  5  A LYS 38  mmtt    -134.3 148.4  Favored 
771  5  A GLU 39  mt-10   -71.1  -7.1   Favored 
772  5  A GLY 40  ?       -162.5 33.4   Allowed 
773  5  A GLU 41  tt0     -156.5 141.5  Favored 
774  5  A ILE 42  tp      -140.3 35.8   Allowed 
775  5  A VAL 43  p       -72.4  74.3   Allowed 
776  5  A LEU 44  pp      -106.6 -4.8   Favored 
777  5  A ALA 45  ?       -80.3  -19.6  Favored 
778  5  A GLY 46  ?       93.9   75.8   Allowed 
779  5  A SER 47  m       -76.3  -29.1  Favored 
780  5  A ASN 48  p30     -154.4 155.1  Favored 
781  5  A PRO 49  Cg_exo  -62.7  94.8   Allowed 
782  5  A SER 50  m       -87.5  81.2   Favored 
783  5  A ALA 51  ?       -146.6 144.3  Favored 
784  5  A GLU 52  OUTLIER -137.6 143.7  Favored 
785  5  A GLU 53  mp0     -88.0  77.5   Favored 
786  5  A GLY 54  ?       64.8   69.4   Allowed 
787  5  A ALA 55  ?       -47.6  98.8   OUTLIER 
788  5  A GLU 56  tt0     -60.5  94.2   OUTLIER 
789  5  A ASP 57  m-20    -143.8 -161.0 Allowed 
790  5  A ASP 58  m-20    -66.8  -37.6  Favored 
791  5  A GLY 59  ?       65.8   41.8   Favored 
792  5  A SER 60  m       -144.9 -40.5  Allowed 
793  5  A ASP 61  t70     -162.6 74.1   Allowed 
794  5  A GLU 62  mp0     -97.5  -16.8  Favored 
795  5  A HIS 63  m-70    64.6   17.2   Favored 
796  5  A VAL 64  t       -106.8 84.2   Allowed 
797  5  A GLU 65  mm-40   -98.7  66.8   Allowed 
798  5  A ARG 66  mtm180  -89.2  143.4  Favored 
799  5  A GLY 67  ?       153.1  -133.0 Favored 
800  5  A ILE 68  pt      -111.3 154.1  Favored 
801  5  A ASP 69  t70     -56.6  -39.2  Favored 
802  5  A ILE 70  mt      -61.0  -48.9  Favored 
803  5  A VAL 71  t       -67.8  -43.5  Favored 
804  5  A LEU 72  mt      -72.8  -22.0  Favored 
805  5  A ASN 73  t-20    -70.7  -53.6  Favored 
806  5  A HIS 74  t-80    -86.5  -21.1  Favored 
807  5  A LYS 75  mtpm?   65.7   71.1   Allowed 
808  5  A LEU 76  mt      -91.4  145.7  Favored 
809  5  A VAL 77  p       -98.1  129.2  Favored 
810  5  A GLU 78  tt0     -62.8  153.6  Favored 
811  5  A MET 79  ttm     -150.2 112.1  Favored 
812  5  A ASN 80  p30     -112.7 152.3  Favored 
813  5  A CYS 81  m       -66.0  -16.6  Favored 
814  5  A TYR 82  m-85    -71.3  -55.2  Favored 
815  5  A GLU 83  mt-10   -105.4 -40.6  Favored 
816  5  A ASP 84  m-20    -87.8  20.6   Favored 
817  5  A ALA 85  ?       -57.6  -43.8  Favored 
818  5  A SER 86  m       -77.3  -31.3  Favored 
819  5  A MET 87  mmt     -64.4  -50.9  Favored 
820  5  A PHE 88  t80     -70.9  -23.4  Favored 
821  5  A LYS 89  tptp    -69.0  -37.6  Favored 
822  5  A ALA 90  ?       -65.7  -36.4  Favored 
823  5  A TYR 91  m-85    -69.4  -32.9  Favored 
824  5  A ILE 92  mm      -65.9  -33.6  Favored 
825  5  A LYS 93  tptm    -63.1  -45.6  Favored 
826  5  A LYS 94  mmtm    -61.6  -54.5  Favored 
827  5  A PHE 95  t80     -44.4  -68.5  Allowed 
828  5  A MET 96  ttp     -57.4  -50.4  Favored 
829  5  A LYS 97  tptt    -56.8  -50.0  Favored 
830  5  A ASN 98  m120    -71.9  -48.0  Favored 
831  5  A VAL 99  m       -66.2  -38.9  Favored 
832  5  A ILE 100 mt      -77.9  -42.1  Favored 
833  5  A ASP 101 t70     -65.0  -45.4  Favored 
834  5  A HIS 102 t60     -67.1  -40.3  Favored 
835  5  A MET 103 ttt     -59.4  -51.5  Favored 
836  5  A GLU 104 tt0     -65.8  -23.7  Favored 
837  5  A LYS 105 ttmt    -75.1  -24.5  Favored 
838  5  A ASN 106 m-80    -114.5 -13.4  Favored 
839  5  A ASN 107 t-20    -100.7 -46.1  Favored 
840  5  A ARG 108 mmt180  66.3   18.3   Favored 
841  5  A ASP 109 t70     -116.2 111.1  Favored 
842  5  A LYS 110 ttmm    -69.5  -29.7  Favored 
843  5  A ALA 111 ?       -72.3  -32.1  Favored 
844  5  A ASP 112 t70     -71.2  -47.5  Favored 
845  5  A VAL 113 m       -79.3  -17.8  Favored 
846  5  A ASP 114 t70     -70.1  -35.4  Favored 
847  5  A ALA 115 ?       -70.8  -39.3  Favored 
848  5  A PHE 116 t80     -62.2  -41.6  Favored 
849  5  A LYS 117 ttpt    -62.2  -34.9  Favored 
850  5  A LYS 118 tptt    -66.4  -43.2  Favored 
851  5  A LYS 119 OUTLIER -67.6  -46.8  Favored 
852  5  A ILE 120 tp      -79.0  -33.3  Favored 
853  5  A GLN 121 OUTLIER -64.9  -41.1  Favored 
854  5  A GLY 122 ?       -59.8  -41.0  Favored 
855  5  A TRP 123 t90     -67.9  -48.0  Favored 
856  5  A VAL 124 m       -70.5  -38.4  Favored 
857  5  A VAL 125 p       -66.4  -32.9  Favored 
858  5  A SER 126 t       -69.4  -42.0  Favored 
859  5  A LEU 127 tp      -74.8  -30.9  Favored 
860  5  A LEU 128 mt      -86.1  1.9    Favored 
861  5  A ALA 129 ?       -83.0  67.0   Favored 
862  5  A LYS 130 pttp    -69.7  -6.2   Favored 
863  5  A ASP 131 t70     -61.7  -33.8  Favored 
864  5  A ARG 132 mtp180  -105.4 -39.2  Favored 
865  5  A PHE 133 m-85    -80.3  0.7    Favored 
866  5  A LYS 134 OUTLIER -46.0  -14.6  OUTLIER 
867  5  A ASN 135 p-10    -79.4  13.6   Allowed 
868  5  A LEU 136 mt      -90.3  146.5  Favored 
869  5  A ALA 137 ?       -139.1 112.5  Favored 
870  5  A PHE 138 m-85    -85.8  145.2  Favored 
871  5  A PHE 139 m-85    -139.4 143.8  Favored 
872  5  A ILE 140 pt      -131.5 177.0  Favored 
873  5  A GLY 141 ?       -62.6  120.9  Favored 
874  5  A GLU 142 tt0     -53.4  -36.2  Favored 
875  5  A ARG 143 mmm180  -68.5  -45.9  Favored 
876  5  A ALA 144 ?       -65.6  -25.7  Favored 
877  5  A ALA 145 ?       -77.2  -7.7   Favored 
878  5  A GLU 146 tt0     -85.3  -40.4  Favored 
879  5  A GLY 147 ?       175.1  52.0   OUTLIER 
880  5  A ALA 148 ?       -145.3 -179.5 Favored 
881  5  A GLU 149 tp10    -120.0 121.6  Favored 
882  5  A ASN 150 p-10    -91.3  -26.7  Favored 
883  5  A GLY 151 ?       75.7   -68.2  Favored 
884  5  A GLN 152 OUTLIER -100.5 133.2  Favored 
885  5  A VAL 153 t       -94.0  141.6  Favored 
886  5  A ALA 154 ?       -72.3  97.2   Allowed 
887  5  A ILE 155 mt      -89.8  104.7  Favored 
888  5  A ILE 156 mm      -93.6  125.6  Favored 
889  5  A GLU 157 tt0     -129.2 112.1  Favored 
890  5  A TYR 158 p90     -81.2  99.3   Favored 
891  5  A ARG 159 ttm-85  -83.5  143.2  Favored 
892  5  A ASP 160 p-10    -75.8  120.8  Favored 
893  5  A VAL 161 p       -128.1 95.4   Favored 
894  5  A ASP 162 m-20    65.6   17.7   Favored 
895  5  A GLY 163 ?       102.3  6.9    Favored 
896  5  A THR 164 m       -111.9 156.4  Favored 
897  5  A GLU 165 pt-20   -84.5  138.5  Favored 
898  5  A VAL 166 p       -130.5 99.4   Favored 
899  5  A PRO 167 Cg_exo  -59.0  114.1  Allowed 
900  5  A THR 168 p       -115.8 121.2  Favored 
901  5  A LEU 169 tp      -76.8  107.4  Favored 
902  5  A MET 170 mtp     -95.0  122.7  Favored 
903  5  A LEU 171 mt      -134.7 145.0  Favored 
904  5  A VAL 172 p       -73.6  141.7  Favored 
905  5  A LYS 173 tttp    -57.9  -30.0  Favored 
906  5  A GLU 174 mp0     -84.7  2.2    Favored 
907  5  A ALA 175 ?       -129.0 -9.0   Favored 
908  5  A ILE 176 tp      -97.8  133.8  Favored 
909  5  A ILE 177 mm      -104.6 110.5  Favored 
910  5  A GLU 178 pt-20   -101.9 90.3   Favored 
911  5  A GLU 179 tp10    -106.1 144.0  Favored 
912  5  A LYS 180 ptmt    -100.3 123.9  Favored 
913  5  A CYS 181 m       -89.3  87.4   Favored 
914  5  A LEU 182 mt      -90.3  87.9   Favored 
915  5  A GLU 183 tm-20   ?      ?      ?       
916  6  A MET 1   mmm     ?      ?      ?       
917  6  A LEU 2   mt      -120.5 155.7  Favored 
918  6  A ILE 3   mt      -96.8  120.2  Favored 
919  6  A TYR 4   t80     -110.3 99.4   Favored 
920  6  A LYS 5   pttt    -129.5 165.3  Favored 
921  6  A ASP 6   m-20    -85.9  -177.9 Favored 
922  6  A ILE 7   mt      -84.2  -24.4  Favored 
923  6  A PHE 8   m-85    -107.1 -59.8  Allowed 
924  6  A THR 9   m       -96.8  17.6   Favored 
925  6  A ASP 10  p-10    -52.4  -29.2  Favored 
926  6  A ASP 11  m-20    -54.9  -48.6  Favored 
927  6  A GLU 12  mm-40   -120.3 17.9   Favored 
928  6  A LEU 13  tp      -78.2  -135.0 OUTLIER 
929  6  A SER 14  m       -143.8 122.8  Favored 
930  6  A SER 15  p       -116.1 104.9  Favored 
931  6  A ASP 16  t70     -160.6 -100.9 OUTLIER 
932  6  A SER 17  p       -127.7 71.5   Allowed 
933  6  A PHE 18  m-85    -120.7 93.9   Favored 
934  6  A PRO 19  Cg_endo -59.5  135.7  Favored 
935  6  A MET 20  ptt?    -83.5  139.0  Favored 
936  6  A LYS 21  tptt    -152.4 122.7  Favored 
937  6  A LEU 22  tp      -130.6 122.9  Favored 
938  6  A VAL 23  p       -103.1 142.9  Favored 
939  6  A ASP 24  t70     59.4   8.2    Allowed 
940  6  A ASP 25  t70     51.7   39.3   Favored 
941  6  A LEU 26  tp      -135.0 -51.7  Allowed 
942  6  A VAL 27  t       -115.3 125.9  Favored 
943  6  A TYR 28  t80     -83.6  120.0  Favored 
944  6  A GLU 29  pt-20   -111.5 141.7  Favored 
945  6  A PHE 30  t80     -136.8 140.3  Favored 
946  6  A LYS 31  ttpt    -83.8  97.0   Favored 
947  6  A GLY 32  ?       -75.0  130.6  Favored 
948  6  A LYS 33  ttmt    -97.6  124.0  Favored 
949  6  A HIS 34  p80     -64.7  114.3  Favored 
950  6  A VAL 35  m       -148.5 161.9  Favored 
951  6  A VAL 36  m       -128.4 143.8  Favored 
952  6  A ARG 37  OUTLIER -91.7  116.1  Favored 
953  6  A LYS 38  tptp    -119.5 145.5  Favored 
954  6  A GLU 39  mm-40   -62.8  89.0   OUTLIER 
955  6  A GLY 40  ?       101.5  5.3    Favored 
956  6  A GLU 41  pt-20   -159.8 -174.6 Favored 
957  6  A ILE 42  tt      -148.4 130.2  Favored 
958  6  A VAL 43  t       -129.2 79.9   Allowed 
959  6  A LEU 44  pp      -70.0  -23.2  Favored 
960  6  A ALA 45  ?       -82.6  160.9  Favored 
961  6  A GLY 46  ?       -76.7  68.3   Favored 
962  6  A SER 47  m       -129.3 1.8    Favored 
963  6  A ASN 48  m-80    -76.1  108.3  Favored 
964  6  A PRO 49  Cg_endo -82.6  42.9   Allowed 
965  6  A SER 50  t       -158.2 177.8  Favored 
966  6  A ALA 51  ?       68.3   81.9   Allowed 
967  6  A GLU 52  OUTLIER -151.5 -41.0  Allowed 
968  6  A GLU 53  tt0     -172.7 -70.3  OUTLIER 
969  6  A GLY 54  ?       -71.8  -29.6  Favored 
970  6  A ALA 55  ?       -104.2 105.9  Favored 
971  6  A GLU 56  tp10    -118.0 -48.3  Favored 
972  6  A ASP 57  p-10    -71.5  -17.1  Favored 
973  6  A ASP 58  t70     -109.5 130.7  Favored 
974  6  A GLY 59  ?       85.5   26.8   Favored 
975  6  A SER 60  m       -74.2  122.2  Favored 
976  6  A ASP 61  p-10    -67.8  -1.3   Favored 
977  6  A GLU 62  tt0     -59.1  -57.2  Favored 
978  6  A HIS 63  m80     -98.5  -25.4  Favored 
979  6  A VAL 64  t       -77.6  77.4   Allowed 
980  6  A GLU 65  mt-10   -75.3  77.2   Favored 
981  6  A ARG 66  ptp180  -76.6  135.6  Favored 
982  6  A GLY 67  ?       162.4  -136.8 Favored 
983  6  A ILE 68  pt      -110.2 155.4  Favored 
984  6  A ASP 69  t70     -55.8  -39.3  Favored 
985  6  A ILE 70  mt      -55.3  -44.9  Favored 
986  6  A VAL 71  t       -66.7  -55.1  Favored 
987  6  A LEU 72  mt      -67.9  -30.4  Favored 
988  6  A ASN 73  t-20    -67.7  -52.4  Favored 
989  6  A HIS 74  t-80    -89.4  -13.6  Favored 
990  6  A LYS 75  mtmt    68.4   66.3   Allowed 
991  6  A LEU 76  mt      -86.6  131.4  Favored 
992  6  A VAL 77  p       -86.4  129.9  Favored 
993  6  A GLU 78  pt-20   -62.6  151.7  Favored 
994  6  A MET 79  tpp     -149.5 140.3  Favored 
995  6  A ASN 80  m-80    -130.1 123.2  Favored 
996  6  A CYS 81  p       -67.7  -16.3  Favored 
997  6  A TYR 82  m-85    -45.9  -60.8  Favored 
998  6  A GLU 83  mm-40   -105.2 -33.3  Favored 
999  6  A ASP 84  t70     -93.0  20.0   Favored 
1000 6  A ALA 85  ?       -51.4  -33.0  Favored 
1001 6  A SER 86  m       -78.0  -50.7  Favored 
1002 6  A MET 87  mpp?    -72.9  -33.5  Favored 
1003 6  A PHE 88  t80     -64.9  -42.9  Favored 
1004 6  A LYS 89  ttmp?   -63.5  -27.6  Favored 
1005 6  A ALA 90  ?       -70.2  -36.7  Favored 
1006 6  A TYR 91  m-85    -63.8  -35.9  Favored 
1007 6  A ILE 92  mm      -65.6  -36.5  Favored 
1008 6  A LYS 93  tptm    -61.4  -44.8  Favored 
1009 6  A LYS 94  mmtp    -68.1  -42.8  Favored 
1010 6  A PHE 95  t80     -48.9  -66.6  Allowed 
1011 6  A MET 96  ptm     -60.5  -40.6  Favored 
1012 6  A LYS 97  tptm    -62.9  -45.6  Favored 
1013 6  A ASN 98  m-20    -72.9  -48.7  Favored 
1014 6  A VAL 99  m       -66.4  -38.1  Favored 
1015 6  A ILE 100 mt      -77.9  -40.2  Favored 
1016 6  A ASP 101 t70     -62.5  -42.7  Favored 
1017 6  A HIS 102 t60     -67.0  -45.0  Favored 
1018 6  A MET 103 ttt     -62.6  -40.5  Favored 
1019 6  A GLU 104 tt0     -57.2  -41.3  Favored 
1020 6  A LYS 105 mttp    -71.6  -19.2  Favored 
1021 6  A ASN 106 p30     -114.4 0.9    Favored 
1022 6  A ASN 107 OUTLIER -114.6 -48.1  Favored 
1023 6  A ARG 108 ptt180  57.4   8.4    Allowed 
1024 6  A ASP 109 t70     -113.9 115.1  Favored 
1025 6  A LYS 110 mtpt    -64.6  -32.9  Favored 
1026 6  A ALA 111 ?       -70.9  -31.6  Favored 
1027 6  A ASP 112 t70     -77.2  -54.6  Favored 
1028 6  A VAL 113 m       -64.9  -22.2  Favored 
1029 6  A ASP 114 t70     -64.0  -41.7  Favored 
1030 6  A ALA 115 ?       -67.7  -38.8  Favored 
1031 6  A PHE 116 t80     -57.6  -61.1  Favored 
1032 6  A LYS 117 ptmt    -73.2  -15.4  Favored 
1033 6  A LYS 118 tppt?   -68.1  -51.5  Favored 
1034 6  A LYS 119 mttt    -69.1  -32.9  Favored 
1035 6  A ILE 120 mm      -68.0  -47.6  Favored 
1036 6  A GLN 121 OUTLIER -57.4  -49.5  Favored 
1037 6  A GLY 122 ?       -62.7  -43.6  Favored 
1038 6  A TRP 123 t-105   -62.5  -50.5  Favored 
1039 6  A VAL 124 m       -70.8  -42.1  Favored 
1040 6  A VAL 125 m       -64.5  -32.2  Favored 
1041 6  A SER 126 t       -74.0  -39.0  Favored 
1042 6  A LEU 127 tp      -73.9  -26.9  Favored 
1043 6  A LEU 128 mt      -88.4  2.2    Favored 
1044 6  A ALA 129 ?       -81.5  93.9   Favored 
1045 6  A LYS 130 mtpt    -67.1  -5.4   Favored 
1046 6  A ASP 131 m-20    -57.7  -47.1  Favored 
1047 6  A ARG 132 mmm180  -109.1 -37.6  Favored 
1048 6  A PHE 133 m-85    -79.4  -1.8   Favored 
1049 6  A LYS 134 ttpt    -55.3  -15.5  Favored 
1050 6  A ASN 135 m120    -83.7  6.7    Favored 
1051 6  A LEU 136 mt      -86.6  129.2  Favored 
1052 6  A ALA 137 ?       -100.8 120.2  Favored 
1053 6  A PHE 138 m-85    -102.7 141.9  Favored 
1054 6  A PHE 139 m-85    -139.7 149.8  Favored 
1055 6  A ILE 140 pt      -133.7 168.9  Favored 
1056 6  A GLY 141 ?       -62.6  143.9  Favored 
1057 6  A GLU 142 tt0     -44.9  -39.3  Favored 
1058 6  A ARG 143 ttp180  -62.8  -38.5  Favored 
1059 6  A ALA 144 ?       -68.6  -29.7  Favored 
1060 6  A ALA 145 ?       -84.5  -25.3  Favored 
1061 6  A GLU 146 tp10    -65.8  -29.9  Favored 
1062 6  A GLY 147 ?       149.9  59.5   OUTLIER 
1063 6  A ALA 148 ?       -159.4 -170.7 Favored 
1064 6  A GLU 149 OUTLIER -172.9 -173.0 Allowed 
1065 6  A ASN 150 m-80    79.2   -20.8  Allowed 
1066 6  A GLY 151 ?       -61.1  146.7  Favored 
1067 6  A GLN 152 tp60    -67.6  134.2  Favored 
1068 6  A VAL 153 t       -83.4  118.0  Favored 
1069 6  A ALA 154 ?       -67.0  101.5  Allowed 
1070 6  A ILE 155 mt      -90.8  105.9  Favored 
1071 6  A ILE 156 mm      -94.8  96.3   Favored 
1072 6  A GLU 157 tt0     -81.5  157.2  Favored 
1073 6  A TYR 158 p90     -120.5 139.2  Favored 
1074 6  A ARG 159 mmt180  -119.0 161.3  Favored 
1075 6  A ASP 160 t70     -115.8 119.8  Favored 
1076 6  A VAL 161 p       -117.9 98.0   Favored 
1077 6  A ASP 162 m-20    61.9   18.1   Favored 
1078 6  A GLY 163 ?       114.8  1.4    Favored 
1079 6  A THR 164 m       -110.1 134.4  Favored 
1080 6  A GLU 165 mp0     -78.9  120.7  Favored 
1081 6  A VAL 166 m       -117.8 89.3   Favored 
1082 6  A PRO 167 Cg_exo  -54.2  126.2  Favored 
1083 6  A THR 168 p       -103.6 107.2  Favored 
1084 6  A LEU 169 tp      -75.2  112.4  Favored 
1085 6  A MET 170 ptp     -105.8 136.1  Favored 
1086 6  A LEU 171 mt      -141.8 158.3  Favored 
1087 6  A VAL 172 p       -86.7  140.7  Favored 
1088 6  A LYS 173 pttt    -57.8  -27.3  Favored 
1089 6  A GLU 174 mm-40   -90.1  13.6   Favored 
1090 6  A ALA 175 ?       -125.9 -1.1   Favored 
1091 6  A ILE 176 mm      -132.0 137.0  Favored 
1092 6  A ILE 177 mm      -114.9 109.8  Favored 
1093 6  A GLU 178 OUTLIER -99.0  106.2  Favored 
1094 6  A GLU 179 mt-10   -92.8  98.1   Favored 
1095 6  A LYS 180 OUTLIER -73.0  96.4   Favored 
1096 6  A CYS 181 m       -75.9  87.8   Favored 
1097 6  A LEU 182 mt      -83.3  110.6  Favored 
1098 6  A GLU 183 tm-20   ?      ?      ?       
1099 7  A MET 1   mpt?    ?      ?      ?       
1100 7  A LEU 2   mt      -95.3  127.7  Favored 
1101 7  A ILE 3   mt      -97.4  127.9  Favored 
1102 7  A TYR 4   m-85    -121.7 114.4  Favored 
1103 7  A LYS 5   mtmt    -123.1 150.7  Favored 
1104 7  A ASP 6   t70     -91.2  134.2  Favored 
1105 7  A ILE 7   pt      -68.7  -27.7  Favored 
1106 7  A PHE 8   m-85    -85.6  -63.3  Allowed 
1107 7  A THR 9   m       -131.3 -33.8  Allowed 
1108 7  A ASP 10  OUTLIER -95.8  24.0   Favored 
1109 7  A ASP 11  m-20    -46.2  -29.1  Allowed 
1110 7  A GLU 12  mt-10   -84.4  24.7   Allowed 
1111 7  A LEU 13  mt      -45.3  -76.1  OUTLIER 
1112 7  A SER 14  p       -160.8 134.9  Favored 
1113 7  A SER 15  p       -141.5 99.9   Favored 
1114 7  A ASP 16  t70     -163.8 169.7  Favored 
1115 7  A SER 17  m       -81.0  9.5    Favored 
1116 7  A PHE 18  p90     -54.5  141.8  Favored 
1117 7  A PRO 19  Cg_endo -60.4  119.8  Favored 
1118 7  A MET 20  ptt?    -101.9 151.8  Favored 
1119 7  A LYS 21  mtmt    -135.9 146.0  Favored 
1120 7  A LEU 22  tp      -134.3 118.5  Favored 
1121 7  A VAL 23  p       -108.5 133.9  Favored 
1122 7  A ASP 24  m-20    58.4   10.5   Allowed 
1123 7  A ASP 25  m-20    50.7   25.1   Allowed 
1124 7  A LEU 26  tp      -109.2 -46.1  Favored 
1125 7  A VAL 27  t       -124.4 124.4  Favored 
1126 7  A TYR 28  t80     -84.6  114.4  Favored 
1127 7  A GLU 29  mt-10   -107.0 135.0  Favored 
1128 7  A PHE 30  t80     -127.1 133.6  Favored 
1129 7  A LYS 31  OUTLIER -87.7  139.6  Favored 
1130 7  A GLY 32  ?       -140.4 -172.6 Favored 
1131 7  A LYS 33  tttp    -144.8 144.6  Favored 
1132 7  A HIS 34  t-160   -65.0  117.4  Favored 
1133 7  A VAL 35  m       -142.7 163.6  Favored 
1134 7  A VAL 36  m       -119.5 104.9  Favored 
1135 7  A ARG 37  tpt180  -80.7  106.6  Favored 
1136 7  A LYS 38  tttt    -135.0 154.1  Favored 
1137 7  A GLU 39  tp10    -51.6  -26.8  Favored 
1138 7  A GLY 40  ?       -148.9 27.8   Allowed 
1139 7  A GLU 41  mm-40   -146.1 152.4  Favored 
1140 7  A ILE 42  tp      -155.0 -43.6  OUTLIER 
1141 7  A VAL 43  t       -76.3  107.0  Favored 
1142 7  A LEU 44  OUTLIER -103.2 -162.9 Allowed 
1143 7  A ALA 45  ?       -132.8 -172.8 Favored 
1144 7  A GLY 46  ?       -78.3  65.2   Favored 
1145 7  A SER 47  m       -150.0 157.7  Favored 
1146 7  A ASN 48  m120    63.4   74.1   Allowed 
1147 7  A PRO 49  Cg_endo -81.7  177.9  Favored 
1148 7  A SER 50  p       -72.0  102.2  Favored 
1149 7  A ALA 51  ?       -65.5  155.8  Favored 
1150 7  A GLU 52  mm-40   -59.2  120.8  Favored 
1151 7  A GLU 53  tp10    69.3   77.4   Allowed 
1152 7  A GLY 54  ?       -95.5  43.7   Favored 
1153 7  A ALA 55  ?       -79.1  -65.6  Allowed 
1154 7  A GLU 56  mm-40   52.0   49.6   Favored 
1155 7  A ASP 57  p-10    -65.3  -24.0  Favored 
1156 7  A ASP 58  p-10    -62.1  -37.3  Favored 
1157 7  A GLY 59  ?       -120.0 42.6   Allowed 
1158 7  A SER 60  p       -73.5  93.7   Favored 
1159 7  A ASP 61  t70     -136.8 -63.5  Allowed 
1160 7  A GLU 62  mp0     64.1   33.8   Favored 
1161 7  A HIS 63  p80     -62.8  -25.1  Favored 
1162 7  A VAL 64  t       -92.9  90.4   Favored 
1163 7  A GLU 65  mt-10   -67.4  80.9   Allowed 
1164 7  A ARG 66  ptm180  -75.5  132.4  Favored 
1165 7  A GLY 67  ?       158.1  -141.4 Favored 
1166 7  A ILE 68  pt      -111.5 147.4  Favored 
1167 7  A ASP 69  t70     -60.7  -24.3  Favored 
1168 7  A ILE 70  mt      -60.2  -40.4  Favored 
1169 7  A VAL 71  t       -77.2  -51.7  Favored 
1170 7  A LEU 72  mt      -64.9  -45.6  Favored 
1171 7  A ASN 73  t30     -80.6  -18.0  Favored 
1172 7  A HIS 74  m-70    -107.8 -1.4   Favored 
1173 7  A LYS 75  mptp?   56.0   56.7   Favored 
1174 7  A LEU 76  mt      -95.1  138.3  Favored 
1175 7  A VAL 77  p       -102.4 134.5  Favored 
1176 7  A GLU 78  tt0     -67.3  141.4  Favored 
1177 7  A MET 79  ptm     -140.8 110.0  Favored 
1178 7  A ASN 80  p30     -101.5 153.0  Favored 
1179 7  A CYS 81  m       -67.3  -3.6   Favored 
1180 7  A TYR 82  m-85    -94.1  -60.2  Allowed 
1181 7  A GLU 83  tp10    -78.4  -43.6  Favored 
1182 7  A ASP 84  m-20    -95.1  20.6   Favored 
1183 7  A ALA 85  ?       -49.8  -53.8  Favored 
1184 7  A SER 86  m       -68.3  -40.6  Favored 
1185 7  A MET 87  tpt     -68.6  -29.1  Favored 
1186 7  A PHE 88  t80     -66.5  -42.1  Favored 
1187 7  A LYS 89  tptt    -57.8  -41.6  Favored 
1188 7  A ALA 90  ?       -64.9  -45.4  Favored 
1189 7  A TYR 91  m-85    -55.2  -48.2  Favored 
1190 7  A ILE 92  mm      -69.1  -41.3  Favored 
1191 7  A LYS 93  mmmm    -52.6  -47.8  Favored 
1192 7  A LYS 94  mmmm    -70.2  -45.4  Favored 
1193 7  A PHE 95  t80     -49.8  -51.4  Favored 
1194 7  A MET 96  ttt     -58.1  -54.6  Favored 
1195 7  A LYS 97  ptmt    -70.3  -24.2  Favored 
1196 7  A ASN 98  m-20    -88.1  -40.6  Favored 
1197 7  A VAL 99  m       -66.8  -37.0  Favored 
1198 7  A ILE 100 mt      -75.1  -31.2  Favored 
1199 7  A ASP 101 t70     -55.2  -52.9  Favored 
1200 7  A HIS 102 t-80    -66.3  -38.3  Favored 
1201 7  A MET 103 OUTLIER -67.3  -58.1  Favored 
1202 7  A GLU 104 tt0     -68.1  -42.2  Favored 
1203 7  A LYS 105 ttpt    -68.7  -22.1  Favored 
1204 7  A ASN 106 OUTLIER -101.1 -17.9  Favored 
1205 7  A ASN 107 t-20    -105.3 -52.2  Favored 
1206 7  A ARG 108 ttm180  81.4   -21.4  Allowed 
1207 7  A ASP 109 t70     -79.5  127.3  Favored 
1208 7  A LYS 110 OUTLIER -56.9  -43.4  Favored 
1209 7  A ALA 111 ?       -80.0  -30.6  Favored 
1210 7  A ASP 112 t70     -84.1  -36.6  Favored 
1211 7  A VAL 113 m       -69.9  -29.6  Favored 
1212 7  A ASP 114 t70     -70.8  -31.8  Favored 
1213 7  A ALA 115 ?       -67.2  -53.8  Favored 
1214 7  A PHE 116 t80     -55.8  -43.3  Favored 
1215 7  A LYS 117 tttm    -56.4  -43.9  Favored 
1216 7  A LYS 118 tmtt?   -62.8  -46.6  Favored 
1217 7  A LYS 119 mptm?   -66.9  -45.2  Favored 
1218 7  A ILE 120 tp      -73.0  -39.1  Favored 
1219 7  A GLN 121 tp60    -67.1  -44.8  Favored 
1220 7  A GLY 122 ?       -62.4  -41.2  Favored 
1221 7  A TRP 123 t90     -63.1  -51.0  Favored 
1222 7  A VAL 124 m       -68.6  -47.6  Favored 
1223 7  A VAL 125 m       -62.1  -31.2  Favored 
1224 7  A SER 126 m       -76.4  -43.7  Favored 
1225 7  A LEU 127 tp      -77.1  -33.9  Favored 
1226 7  A LEU 128 mt      -80.5  4.0    Favored 
1227 7  A ALA 129 ?       -59.7  108.4  Allowed 
1228 7  A LYS 130 OUTLIER -73.6  -5.5   Favored 
1229 7  A ASP 131 t70     -97.5  -45.2  Favored 
1230 7  A ARG 132 tpt180  -100.4 -47.9  Favored 
1231 7  A PHE 133 m-85    -86.2  -2.7   Favored 
1232 7  A LYS 134 pttm    -52.6  2.5    OUTLIER 
1233 7  A ASN 135 m120    -83.3  17.3   Favored 
1234 7  A LEU 136 mt      -89.8  151.0  Favored 
1235 7  A ALA 137 ?       -135.3 119.4  Favored 
1236 7  A PHE 138 m-85    -93.6  149.3  Favored 
1237 7  A PHE 139 m-85    -138.8 161.6  Favored 
1238 7  A ILE 140 tt      -136.4 143.3  Favored 
1239 7  A GLY 141 ?       -63.7  150.5  Favored 
1240 7  A GLU 142 tp10    -49.9  -47.8  Favored 
1241 7  A ARG 143 OUTLIER -69.9  -42.2  Favored 
1242 7  A ALA 144 ?       -74.3  -27.0  Favored 
1243 7  A ALA 145 ?       -74.5  -5.4   Favored 
1244 7  A GLU 146 mt-10   -80.8  -5.0   Favored 
1245 7  A GLY 147 ?       108.7  42.9   Allowed 
1246 7  A ALA 148 ?       -91.0  -67.5  Allowed 
1247 7  A GLU 149 mt-10   -159.2 173.4  Favored 
1248 7  A ASN 150 p-10    -55.0  -27.6  Favored 
1249 7  A GLY 151 ?       61.9   -153.5 Favored 
1250 7  A GLN 152 tp60    -87.3  120.2  Favored 
1251 7  A VAL 153 t       -76.8  116.2  Favored 
1252 7  A ALA 154 ?       -76.7  100.0  Favored 
1253 7  A ILE 155 mt      -91.5  108.6  Favored 
1254 7  A ILE 156 mm      -99.0  109.6  Favored 
1255 7  A GLU 157 tt0     -86.9  107.4  Favored 
1256 7  A TYR 158 m-85    -75.0  87.9   Favored 
1257 7  A ARG 159 tpt180  -85.9  119.8  Favored 
1258 7  A ASP 160 t70     -86.7  97.6   Favored 
1259 7  A VAL 161 p       -96.4  97.6   Favored 
1260 7  A ASP 162 m-20    64.7   17.4   Favored 
1261 7  A GLY 163 ?       115.5  -10.1  Favored 
1262 7  A THR 164 m       -97.4  128.6  Favored 
1263 7  A GLU 165 pt-20   -76.5  120.8  Favored 
1264 7  A VAL 166 m       -115.9 95.7   Favored 
1265 7  A PRO 167 Cg_exo  -56.8  123.9  Favored 
1266 7  A THR 168 m       -117.9 110.5  Favored 
1267 7  A LEU 169 tp      -76.2  117.4  Favored 
1268 7  A MET 170 mtt     -112.3 120.9  Favored 
1269 7  A LEU 171 mt      -131.7 145.5  Favored 
1270 7  A VAL 172 p       -82.7  137.9  Favored 
1271 7  A LYS 173 tttp    -57.2  -22.2  Favored 
1272 7  A GLU 174 tp10    -78.5  -36.9  Favored 
1273 7  A ALA 175 ?       -97.6  -0.8   Favored 
1274 7  A ILE 176 mm      -122.0 133.6  Favored 
1275 7  A ILE 177 mm      -99.0  109.7  Favored 
1276 7  A GLU 178 pt-20   -95.7  123.5  Favored 
1277 7  A GLU 179 pt-20   -147.0 125.0  Favored 
1278 7  A LYS 180 mtpt    -81.5  95.8   Favored 
1279 7  A CYS 181 t       -83.4  88.8   Favored 
1280 7  A LEU 182 mt      -71.5  143.1  Favored 
1281 7  A GLU 183 mt-10   ?      ?      ?       
1282 8  A MET 1   mtp     ?      ?      ?       
1283 8  A LEU 2   mt      -119.3 161.6  Favored 
1284 8  A ILE 3   tt      -133.7 118.6  Favored 
1285 8  A TYR 4   p90     -122.6 124.1  Favored 
1286 8  A LYS 5   pttp    -153.3 171.2  Favored 
1287 8  A ASP 6   t70     -105.1 142.8  Favored 
1288 8  A ILE 7   pt      -79.7  -9.1   Favored 
1289 8  A PHE 8   m-85    -107.8 -60.2  Allowed 
1290 8  A THR 9   p       -125.3 -49.5  Allowed 
1291 8  A ASP 10  OUTLIER -87.3  21.8   Favored 
1292 8  A ASP 11  t70     -48.2  -21.7  Allowed 
1293 8  A GLU 12  mm-40   -90.0  25.3   Favored 
1294 8  A LEU 13  mt      -63.0  -92.3  OUTLIER 
1295 8  A SER 14  m       -154.7 130.0  Favored 
1296 8  A SER 15  t       -109.7 81.9   Allowed 
1297 8  A ASP 16  t70     -162.2 166.9  Favored 
1298 8  A SER 17  t       -71.3  80.9   Allowed 
1299 8  A PHE 18  m-85    -114.2 139.7  Favored 
1300 8  A PRO 19  Cg_exo  -68.5  119.9  Favored 
1301 8  A MET 20  OUTLIER -86.1  144.1  Favored 
1302 8  A LYS 21  mptp?   -136.2 146.7  Favored 
1303 8  A LEU 22  tp      -125.7 138.7  Favored 
1304 8  A VAL 23  p       -108.3 128.4  Favored 
1305 8  A ASP 24  t70     72.8   -85.5  OUTLIER 
1306 8  A ASP 25  t70     172.1  28.5   OUTLIER 
1307 8  A LEU 26  tp      -135.2 -52.2  Allowed 
1308 8  A VAL 27  t       -118.2 131.3  Favored 
1309 8  A TYR 28  t80     -83.6  135.5  Favored 
1310 8  A GLU 29  pt-20   -131.9 155.8  Favored 
1311 8  A PHE 30  t80     -140.0 147.9  Favored 
1312 8  A LYS 31  OUTLIER -73.6  154.0  Favored 
1313 8  A GLY 32  ?       -164.7 156.5  Favored 
1314 8  A LYS 33  tttt    -154.4 159.2  Favored 
1315 8  A HIS 34  p-80    -70.2  120.4  Favored 
1316 8  A VAL 35  m       -139.8 168.1  Favored 
1317 8  A VAL 36  m       -115.0 145.3  Favored 
1318 8  A ARG 37  mmt180  -134.3 109.2  Favored 
1319 8  A LYS 38  tttt    -133.1 97.3   Favored 
1320 8  A GLU 39  mt-10   40.0   -77.8  OUTLIER 
1321 8  A GLY 40  ?       -138.8 49.8   Allowed 
1322 8  A GLU 41  tt0     -170.8 152.6  Favored 
1323 8  A ILE 42  tt      -156.7 105.7  Allowed 
1324 8  A VAL 43  p       -138.6 110.5  Favored 
1325 8  A LEU 44  pp      -114.2 7.0    Favored 
1326 8  A ALA 45  ?       -71.1  87.1   Allowed 
1327 8  A GLY 46  ?       130.4  5.6    Favored 
1328 8  A SER 47  p       -71.4  90.2   Allowed 
1329 8  A ASN 48  t30     -55.7  125.4  Favored 
1330 8  A PRO 49  Cg_exo  -54.1  104.9  Allowed 
1331 8  A SER 50  m       -81.4  28.0   Allowed 
1332 8  A ALA 51  ?       -54.3  -44.9  Favored 
1333 8  A GLU 52  tp10    -137.4 92.5   Favored 
1334 8  A GLU 53  tp10    -104.0 -19.4  Favored 
1335 8  A GLY 54  ?       118.5  141.1  Favored 
1336 8  A ALA 55  ?       -78.5  72.6   Favored 
1337 8  A GLU 56  tt0     -164.3 56.7   Allowed 
1338 8  A ASP 57  t70     -71.0  139.6  Favored 
1339 8  A ASP 58  t70     -146.5 93.7   Favored 
1340 8  A GLY 59  ?       -89.3  50.2   Favored 
1341 8  A SER 60  t       -86.1  45.1   Allowed 
1342 8  A ASP 61  p-10    -152.8 66.8   Allowed 
1343 8  A GLU 62  mp0     -69.7  -24.0  Favored 
1344 8  A HIS 63  m80     -88.7  5.9    Favored 
1345 8  A VAL 64  t       -123.4 93.9   Favored 
1346 8  A GLU 65  mp0     -72.6  80.0   Allowed 
1347 8  A ARG 66  ptt180  -95.4  146.5  Favored 
1348 8  A GLY 67  ?       129.7  -143.9 Favored 
1349 8  A ILE 68  OUTLIER -83.7  122.0  Favored 
1350 8  A ASP 69  t70     -44.4  -47.5  Favored 
1351 8  A ILE 70  mt      -51.8  -48.5  Favored 
1352 8  A VAL 71  t       -70.6  -41.5  Favored 
1353 8  A LEU 72  mt      -64.1  -39.8  Favored 
1354 8  A ASN 73  t-20    -74.2  -38.1  Favored 
1355 8  A HIS 74  m170    -92.1  -12.0  Favored 
1356 8  A LYS 75  mtpp    62.4   46.7   Favored 
1357 8  A LEU 76  mt      -80.4  130.8  Favored 
1358 8  A VAL 77  p       -84.8  135.4  Favored 
1359 8  A GLU 78  pt-20   -57.5  148.0  Favored 
1360 8  A MET 79  tpt     -146.6 103.5  Favored 
1361 8  A ASN 80  m-80    -92.6  118.1  Favored 
1362 8  A CYS 81  p       -63.6  -27.9  Favored 
1363 8  A TYR 82  m-85    -68.0  -41.6  Favored 
1364 8  A GLU 83  mt-10   -104.2 -22.9  Favored 
1365 8  A ASP 84  m-20    -116.7 21.0   Favored 
1366 8  A ALA 85  ?       -47.4  -39.0  Favored 
1367 8  A SER 86  m       -61.5  -56.7  Favored 
1368 8  A MET 87  mtp     -59.9  -36.7  Favored 
1369 8  A PHE 88  t80     -65.4  -39.3  Favored 
1370 8  A LYS 89  ttpt    -62.1  -38.5  Favored 
1371 8  A ALA 90  ?       -61.8  -45.4  Favored 
1372 8  A TYR 91  m-85    -59.3  -50.4  Favored 
1373 8  A ILE 92  mm      -55.6  -44.2  Favored 
1374 8  A LYS 93  tmtt?   -64.4  -56.2  Favored 
1375 8  A LYS 94  mmmm    -65.1  -55.9  Favored 
1376 8  A PHE 95  t80     -45.3  -61.1  Allowed 
1377 8  A MET 96  ttt     -64.2  -41.3  Favored 
1378 8  A LYS 97  mmtt    -62.7  -41.4  Favored 
1379 8  A ASN 98  m-20    -64.4  -48.6  Favored 
1380 8  A VAL 99  m       -62.2  -48.8  Favored 
1381 8  A ILE 100 mt      -69.7  -43.0  Favored 
1382 8  A ASP 101 t70     -60.1  -37.8  Favored 
1383 8  A HIS 102 m80     -70.8  -41.2  Favored 
1384 8  A MET 103 mmm     -64.8  -36.5  Favored 
1385 8  A GLU 104 tm-20   -71.5  -37.5  Favored 
1386 8  A LYS 105 OUTLIER -76.1  -12.8  Favored 
1387 8  A ASN 106 m-80    -104.4 -6.0   Favored 
1388 8  A ASN 107 t-20    47.0   77.3   Allowed 
1389 8  A ARG 108 mmm180  -61.1  -36.2  Favored 
1390 8  A ASP 109 t70     152.1  147.4  OUTLIER 
1391 8  A LYS 110 ttpm?   -58.0  -51.9  Favored 
1392 8  A ALA 111 ?       -71.3  -22.4  Favored 
1393 8  A ASP 112 t70     -80.3  -42.5  Favored 
1394 8  A VAL 113 m       -74.2  -27.7  Favored 
1395 8  A ASP 114 t70     -74.3  -36.1  Favored 
1396 8  A ALA 115 ?       -69.4  -40.9  Favored 
1397 8  A PHE 116 t80     -64.6  -40.0  Favored 
1398 8  A LYS 117 ttpp    -63.6  -33.2  Favored 
1399 8  A LYS 118 tptt    -74.9  -39.2  Favored 
1400 8  A LYS 119 mmtm    -66.8  -46.9  Favored 
1401 8  A ILE 120 tp      -74.0  -32.5  Favored 
1402 8  A GLN 121 tp60    -62.4  -48.1  Favored 
1403 8  A GLY 122 ?       -60.2  -42.7  Favored 
1404 8  A TRP 123 t-105   -65.4  -49.0  Favored 
1405 8  A VAL 124 m       -70.2  -41.8  Favored 
1406 8  A VAL 125 m       -71.9  -21.5  Favored 
1407 8  A SER 126 t       -73.7  -43.2  Favored 
1408 8  A LEU 127 tp      -73.0  -36.0  Favored 
1409 8  A LEU 128 mt      -79.8  4.0    Favored 
1410 8  A ALA 129 ?       -72.1  141.6  Favored 
1411 8  A LYS 130 mttt    -67.8  -23.2  Favored 
1412 8  A ASP 131 m-20    -70.3  -16.4  Favored 
1413 8  A ARG 132 tpt180  -96.9  -41.6  Favored 
1414 8  A PHE 133 m-85    -62.8  -12.8  Favored 
1415 8  A LYS 134 ptmt    -50.2  -30.3  Favored 
1416 8  A ASN 135 p30     -131.4 17.9   Favored 
1417 8  A LEU 136 mt      -96.1  128.9  Favored 
1418 8  A ALA 137 ?       -124.8 139.1  Favored 
1419 8  A PHE 138 m-85    -116.0 148.0  Favored 
1420 8  A PHE 139 m-85    -146.6 136.4  Favored 
1421 8  A ILE 140 tt      -127.6 148.9  Favored 
1422 8  A GLY 141 ?       -51.9  145.5  Favored 
1423 8  A GLU 142 tp10    -52.0  -55.0  Favored 
1424 8  A ARG 143 mtp180  -72.2  -15.3  Favored 
1425 8  A ALA 144 ?       -79.0  -34.9  Favored 
1426 8  A ALA 145 ?       -76.5  7.6    Favored 
1427 8  A GLU 146 tt0     -73.5  -20.3  Favored 
1428 8  A GLY 147 ?       127.0  30.3   Allowed 
1429 8  A ALA 148 ?       -79.8  90.3   Favored 
1430 8  A GLU 149 mm-40   -69.3  163.3  Favored 
1431 8  A ASN 150 m-20    80.0   7.3    Allowed 
1432 8  A GLY 151 ?       -95.6  -177.6 Favored 
1433 8  A GLN 152 tp60    -112.0 152.3  Favored 
1434 8  A VAL 153 t       -108.2 136.0  Favored 
1435 8  A ALA 154 ?       -64.6  114.4  Favored 
1436 8  A ILE 155 mt      -87.0  107.7  Favored 
1437 8  A ILE 156 mm      -96.5  121.6  Favored 
1438 8  A GLU 157 tp10    -110.6 98.2   Favored 
1439 8  A TYR 158 m-85    -82.9  118.7  Favored 
1440 8  A ARG 159 mmt-85  -125.3 -179.3 Favored 
1441 8  A ASP 160 p-10    -123.9 110.8  Favored 
1442 8  A VAL 161 p       -89.0  102.1  Favored 
1443 8  A ASP 162 m-20    61.0   31.6   Favored 
1444 8  A GLY 163 ?       96.2   -13.6  Favored 
1445 8  A THR 164 m       -90.4  131.4  Favored 
1446 8  A GLU 165 tt0     -71.1  123.1  Favored 
1447 8  A VAL 166 p       -125.0 102.5  Favored 
1448 8  A PRO 167 Cg_endo -85.8  118.3  Allowed 
1449 8  A THR 168 m       -103.8 141.9  Favored 
1450 8  A LEU 169 tp      -77.2  130.3  Favored 
1451 8  A MET 170 tpp     -131.4 122.5  Favored 
1452 8  A LEU 171 mt      -159.8 145.7  Favored 
1453 8  A VAL 172 p       -80.2  134.4  Favored 
1454 8  A LYS 173 ttpp    -55.3  -30.4  Favored 
1455 8  A GLU 174 mp0     -71.1  -26.0  Favored 
1456 8  A ALA 175 ?       -98.0  -1.5   Favored 
1457 8  A ILE 176 mm      -112.5 139.0  Favored 
1458 8  A ILE 177 mm      -96.6  109.5  Favored 
1459 8  A GLU 178 tm-20   -120.6 99.3   Favored 
1460 8  A GLU 179 tp10    -126.8 155.7  Favored 
1461 8  A LYS 180 ptpt    -106.6 113.7  Favored 
1462 8  A CYS 181 m       -95.9  91.2   Favored 
1463 8  A LEU 182 mm?     -79.6  168.8  Favored 
1464 8  A GLU 183 tt0     ?      ?      ?       
1465 9  A MET 1   OUTLIER ?      ?      ?       
1466 9  A LEU 2   mt      -122.7 130.6  Favored 
1467 9  A ILE 3   tt      -99.2  118.9  Favored 
1468 9  A TYR 4   t80     -125.1 115.1  Favored 
1469 9  A LYS 5   mptp?   -121.3 153.1  Favored 
1470 9  A ASP 6   t70     -91.3  148.6  Favored 
1471 9  A ILE 7   pt      -83.3  -24.6  Favored 
1472 9  A PHE 8   m-85    -87.0  -64.0  Allowed 
1473 9  A THR 9   m       -132.3 -34.7  Allowed 
1474 9  A ASP 10  OUTLIER -92.5  21.8   Favored 
1475 9  A ASP 11  m-20    -46.8  -28.3  Allowed 
1476 9  A GLU 12  pt-20   -89.9  26.3   Allowed 
1477 9  A LEU 13  mt      -44.9  -94.0  OUTLIER 
1478 9  A SER 14  m       -156.3 152.3  Favored 
1479 9  A SER 15  m       -140.1 98.8   Favored 
1480 9  A ASP 16  t70     -161.5 -176.2 Favored 
1481 9  A SER 17  m       -68.3  92.8   Allowed 
1482 9  A PHE 18  m-85    -109.3 139.5  Favored 
1483 9  A PRO 19  Cg_endo -65.4  119.1  Favored 
1484 9  A MET 20  ttp     -126.4 123.2  Favored 
1485 9  A LYS 21  tttt    -142.6 131.0  Favored 
1486 9  A LEU 22  tp      -101.8 124.1  Favored 
1487 9  A VAL 23  p       -115.4 140.1  Favored 
1488 9  A ASP 24  t70     64.3   13.0   Favored 
1489 9  A ASP 25  m-20    58.4   21.8   Favored 
1490 9  A LEU 26  tp      -130.7 -52.8  Allowed 
1491 9  A VAL 27  t       -117.6 141.6  Favored 
1492 9  A TYR 28  m-85    -88.7  118.2  Favored 
1493 9  A GLU 29  tt0     -85.7  104.4  Favored 
1494 9  A PHE 30  t80     -100.6 106.8  Favored 
1495 9  A LYS 31  ptpt    -80.8  154.4  Favored 
1496 9  A GLY 32  ?       -157.0 -172.2 Favored 
1497 9  A LYS 33  mtpp    -135.2 137.3  Favored 
1498 9  A HIS 34  t-160   -74.2  118.7  Favored 
1499 9  A VAL 35  m       -141.6 168.7  Favored 
1500 9  A VAL 36  m       -128.0 114.0  Favored 
1501 9  A ARG 37  ttm180  -92.7  111.0  Favored 
1502 9  A LYS 38  mtpp    -120.8 149.3  Favored 
1503 9  A GLU 39  tp10    -72.5  81.8   Allowed 
1504 9  A GLY 40  ?       169.8  -62.2  Allowed 
1505 9  A GLU 41  tp10    -172.2 157.9  Favored 
1506 9  A ILE 42  tp      -75.3  84.8   Allowed 
1507 9  A VAL 43  p       -87.6  -25.5  Favored 
1508 9  A LEU 44  mm?     60.7   88.4   Allowed 
1509 9  A ALA 45  ?       -119.5 4.2    Favored 
1510 9  A GLY 46  ?       64.7   -107.6 Allowed 
1511 9  A SER 47  m       -133.2 96.9   Favored 
1512 9  A ASN 48  m-20    -67.8  157.6  Favored 
1513 9  A PRO 49  Cg_endo -63.6  84.9   Allowed 
1514 9  A SER 50  m       -151.6 107.9  Favored 
1515 9  A ALA 51  ?       -140.0 -174.2 Favored 
1516 9  A GLU 52  mm-40   -77.2  85.2   Favored 
1517 9  A GLU 53  pt-20   -152.0 22.9   Allowed 
1518 9  A GLY 54  ?       174.8  153.8  Favored 
1519 9  A ALA 55  ?       -97.5  -1.1   Favored 
1520 9  A GLU 56  pt-20   -92.1  103.5  Favored 
1521 9  A ASP 57  t70     -91.1  133.8  Favored 
1522 9  A ASP 58  m-20    -111.5 22.3   Favored 
1523 9  A GLY 59  ?       82.1   36.2   Favored 
1524 9  A SER 60  p       -145.5 -57.1  Allowed 
1525 9  A ASP 61  m-20    -62.3  -33.4  Favored 
1526 9  A GLU 62  mm-40   -130.0 7.4    Favored 
1527 9  A HIS 63  m80     -128.7 -2.6   Favored 
1528 9  A VAL 64  t       -77.0  100.4  Favored 
1529 9  A GLU 65  mm-40   -75.7  69.4   Favored 
1530 9  A ARG 66  ttp180  -82.3  122.3  Favored 
1531 9  A GLY 67  ?       165.8  -164.8 Favored 
1532 9  A ILE 68  pt      -96.7  148.8  Favored 
1533 9  A ASP 69  t70     -56.7  -30.9  Favored 
1534 9  A ILE 70  mt      -56.5  -51.2  Favored 
1535 9  A VAL 71  t       -78.7  -44.1  Favored 
1536 9  A LEU 72  mt      -65.6  -18.2  Favored 
1537 9  A ASN 73  t-20    -48.5  -58.5  Favored 
1538 9  A HIS 74  OUTLIER -107.0 -7.7   Favored 
1539 9  A LYS 75  tttp    62.2   69.9   Allowed 
1540 9  A LEU 76  mt      -75.2  157.0  Favored 
1541 9  A VAL 77  p       -96.5  127.8  Favored 
1542 9  A GLU 78  pt-20   -58.9  152.1  Favored 
1543 9  A MET 79  mmm     -143.8 137.2  Favored 
1544 9  A ASN 80  OUTLIER -140.3 140.4  Favored 
1545 9  A CYS 81  p       -59.0  -14.8  Favored 
1546 9  A TYR 82  m-85    -66.3  -59.1  Favored 
1547 9  A GLU 83  mp0     -98.2  -38.2  Favored 
1548 9  A ASP 84  m-20    -92.5  21.6   Favored 
1549 9  A ALA 85  ?       -50.2  -53.2  Favored 
1550 9  A SER 86  m       -72.8  -37.7  Favored 
1551 9  A MET 87  mpt?    -66.5  -45.9  Favored 
1552 9  A PHE 88  t80     -63.4  -47.2  Favored 
1553 9  A LYS 89  ttmt    -65.4  -28.8  Favored 
1554 9  A ALA 90  ?       -63.6  -44.5  Favored 
1555 9  A TYR 91  m-85    -61.1  -40.0  Favored 
1556 9  A ILE 92  mm      -65.2  -32.5  Favored 
1557 9  A LYS 93  mttt    -61.5  -47.5  Favored 
1558 9  A LYS 94  mptt    -66.9  -42.3  Favored 
1559 9  A PHE 95  t80     -51.9  -60.8  Favored 
1560 9  A MET 96  ttp     -61.0  -40.9  Favored 
1561 9  A LYS 97  tptm    -56.0  -55.7  Favored 
1562 9  A ASN 98  m-80    -72.3  -36.7  Favored 
1563 9  A VAL 99  m       -67.8  -38.8  Favored 
1564 9  A ILE 100 mt      -77.0  -35.9  Favored 
1565 9  A ASP 101 t70     -60.8  -47.8  Favored 
1566 9  A HIS 102 t60     -66.6  -44.3  Favored 
1567 9  A MET 103 tpt     -55.5  -53.4  Favored 
1568 9  A GLU 104 tt0     -65.2  -27.1  Favored 
1569 9  A LYS 105 tttt    -67.6  -45.3  Favored 
1570 9  A ASN 106 m-20    -83.8  -29.5  Favored 
1571 9  A ASN 107 t-20    -99.6  -50.7  Favored 
1572 9  A ARG 108 mtt180  73.3   -13.3  Allowed 
1573 9  A ASP 109 t70     -91.2  122.6  Favored 
1574 9  A LYS 110 mmtt    -66.1  -37.5  Favored 
1575 9  A ALA 111 ?       -70.8  -30.3  Favored 
1576 9  A ASP 112 t70     -85.1  -30.9  Favored 
1577 9  A VAL 113 m       -80.7  -25.7  Favored 
1578 9  A ASP 114 t70     -63.2  -39.3  Favored 
1579 9  A ALA 115 ?       -72.3  -40.9  Favored 
1580 9  A PHE 116 t80     -63.4  -45.0  Favored 
1581 9  A LYS 117 pttp    -65.6  -35.8  Favored 
1582 9  A LYS 118 tttp    -63.3  -36.9  Favored 
1583 9  A LYS 119 mmtt    -69.4  -52.8  Favored 
1584 9  A ILE 120 tp      -73.9  -40.7  Favored 
1585 9  A GLN 121 pp0?    -68.2  -35.3  Favored 
1586 9  A GLY 122 ?       -66.3  -40.2  Favored 
1587 9  A TRP 123 t-105   -66.3  -47.9  Favored 
1588 9  A VAL 124 m       -74.5  -30.5  Favored 
1589 9  A VAL 125 p       -71.5  -26.0  Favored 
1590 9  A SER 126 m       -81.8  -42.2  Favored 
1591 9  A LEU 127 tp      -79.3  -23.9  Favored 
1592 9  A LEU 128 mt      -93.4  4.4    Favored 
1593 9  A ALA 129 ?       -59.0  99.8   Allowed 
1594 9  A LYS 130 ptmm?   -51.7  -39.8  Favored 
1595 9  A ASP 131 m-20    -70.3  -29.5  Favored 
1596 9  A ARG 132 ptt180  -111.5 -29.8  Favored 
1597 9  A PHE 133 m-85    -87.5  -2.2   Favored 
1598 9  A LYS 134 ttpp    -51.1  -24.6  Favored 
1599 9  A ASN 135 m120    -95.2  25.9   Favored 
1600 9  A LEU 136 mt      -87.1  142.1  Favored 
1601 9  A ALA 137 ?       -100.3 110.5  Favored 
1602 9  A PHE 138 m-85    -95.4  143.1  Favored 
1603 9  A PHE 139 m-85    -137.5 137.4  Favored 
1604 9  A ILE 140 tt      -109.9 148.2  Favored 
1605 9  A GLY 141 ?       -48.4  130.5  Favored 
1606 9  A GLU 142 tp10    -57.0  -38.3  Favored 
1607 9  A ARG 143 mtp85   -71.5  -35.2  Favored 
1608 9  A ALA 144 ?       -65.1  -42.8  Favored 
1609 9  A ALA 145 ?       -66.2  -19.5  Favored 
1610 9  A GLU 146 mt-10   -79.8  -23.1  Favored 
1611 9  A GLY 147 ?       179.9  49.1   OUTLIER 
1612 9  A ALA 148 ?       -170.0 98.5   Allowed 
1613 9  A GLU 149 OUTLIER -84.6  14.4   Favored 
1614 9  A ASN 150 p-10    -100.6 -3.8   Favored 
1615 9  A GLY 151 ?       -64.7  163.8  Favored 
1616 9  A GLN 152 tp60    -78.8  141.6  Favored 
1617 9  A VAL 153 t       -98.0  111.0  Favored 
1618 9  A ALA 154 ?       -69.5  111.4  Favored 
1619 9  A ILE 155 mt      -92.8  124.1  Favored 
1620 9  A ILE 156 mm      -109.4 111.3  Favored 
1621 9  A GLU 157 tt0     -88.3  116.2  Favored 
1622 9  A TYR 158 p90     -69.9  88.5   Allowed 
1623 9  A ARG 159 ttm180  -94.7  134.1  Favored 
1624 9  A ASP 160 m-20    -88.4  102.7  Favored 
1625 9  A VAL 161 p       -90.2  92.3   Favored 
1626 9  A ASP 162 t70     71.7   -66.9  Allowed 
1627 9  A GLY 163 ?       -163.9 29.1   Allowed 
1628 9  A THR 164 m       -135.7 148.1  Favored 
1629 9  A GLU 165 pt-20   -79.5  136.4  Favored 
1630 9  A VAL 166 p       -129.3 112.8  Favored 
1631 9  A PRO 167 Cg_endo -67.1  115.4  Favored 
1632 9  A THR 168 p       -111.3 108.7  Favored 
1633 9  A LEU 169 tp      -76.0  120.4  Favored 
1634 9  A MET 170 mtt     -100.1 122.2  Favored 
1635 9  A LEU 171 mt      -141.1 140.2  Favored 
1636 9  A VAL 172 p       -81.8  147.6  Favored 
1637 9  A LYS 173 tttp    -51.1  -44.9  Favored 
1638 9  A GLU 174 mm-40   -82.3  3.6    Favored 
1639 9  A ALA 175 ?       -105.9 -5.0   Favored 
1640 9  A ILE 176 mm      -122.8 144.0  Favored 
1641 9  A ILE 177 mm      -98.6  109.7  Favored 
1642 9  A GLU 178 OUTLIER -130.2 116.7  Favored 
1643 9  A GLU 179 mt-10   -141.3 132.4  Favored 
1644 9  A LYS 180 ptpt    -76.9  102.8  Favored 
1645 9  A CYS 181 t       -77.7  87.7   Favored 
1646 9  A LEU 182 mt      -87.3  92.7   Favored 
1647 9  A GLU 183 tt0     ?      ?      ?       
1648 10 A MET 1   ttm     ?      ?      ?       
1649 10 A LEU 2   mt      -91.9  139.8  Favored 
1650 10 A ILE 3   tt      -110.1 117.9  Favored 
1651 10 A TYR 4   OUTLIER -103.1 123.0  Favored 
1652 10 A LYS 5   mtmm    -124.1 151.9  Favored 
1653 10 A ASP 6   t70     -99.5  174.7  Favored 
1654 10 A ILE 7   tt      -73.0  -34.7  Favored 
1655 10 A PHE 8   m-85    -113.4 -48.5  Favored 
1656 10 A THR 9   m       -88.3  16.4   Favored 
1657 10 A ASP 10  p-10    -52.7  -39.0  Favored 
1658 10 A ASP 11  m-20    -66.2  -25.9  Favored 
1659 10 A GLU 12  mp0     -105.8 -1.6   Favored 
1660 10 A LEU 13  mt      -85.0  -154.4 Allowed 
1661 10 A SER 14  m       -115.5 124.5  Favored 
1662 10 A SER 15  p       -116.5 85.2   Favored 
1663 10 A ASP 16  t70     -166.0 -105.7 OUTLIER 
1664 10 A SER 17  p       -177.9 84.7   OUTLIER 
1665 10 A PHE 18  m-85    -115.8 129.5  Favored 
1666 10 A PRO 19  Cg_exo  -50.9  135.8  Favored 
1667 10 A MET 20  OUTLIER -146.3 162.8  Favored 
1668 10 A LYS 21  ttmp?   -144.9 159.6  Favored 
1669 10 A LEU 22  tp      -123.2 128.6  Favored 
1670 10 A VAL 23  p       -120.5 146.2  Favored 
1671 10 A ASP 24  t70     67.5   5.7    Favored 
1672 10 A ASP 25  t70     59.6   18.4   Favored 
1673 10 A LEU 26  tp      -129.5 -50.0  Allowed 
1674 10 A VAL 27  t       -110.8 124.1  Favored 
1675 10 A TYR 28  t80     -85.3  115.8  Favored 
1676 10 A GLU 29  mt-10   -89.3  149.3  Favored 
1677 10 A PHE 30  t80     -139.8 142.5  Favored 
1678 10 A LYS 31  OUTLIER -67.0  120.7  Favored 
1679 10 A GLY 32  ?       -111.8 157.7  Favored 
1680 10 A LYS 33  mtpt    -144.9 147.3  Favored 
1681 10 A HIS 34  t60     -87.6  109.2  Favored 
1682 10 A VAL 35  m       -145.2 174.3  Favored 
1683 10 A VAL 36  m       -131.5 139.4  Favored 
1684 10 A ARG 37  mmm180  -120.0 107.6  Favored 
1685 10 A LYS 38  tttp    -134.8 96.2   Favored 
1686 10 A GLU 39  mp0     60.0   -66.4  OUTLIER 
1687 10 A GLY 40  ?       -171.0 43.9   Allowed 
1688 10 A GLU 41  mt-10   -113.9 100.2  Favored 
1689 10 A ILE 42  tp      -92.2  77.2   Allowed 
1690 10 A VAL 43  m       -120.1 85.8   Allowed 
1691 10 A LEU 44  pp      -103.9 156.8  Favored 
1692 10 A ALA 45  ?       -113.5 176.1  Favored 
1693 10 A GLY 46  ?       -90.6  -141.5 Favored 
1694 10 A SER 47  m       -62.0  135.5  Favored 
1695 10 A ASN 48  t-20    64.2   65.7   Allowed 
1696 10 A PRO 49  Cg_endo -94.8  14.1   Allowed 
1697 10 A SER 50  t       58.5   59.9   Favored 
1698 10 A ALA 51  ?       -113.3 21.2   Favored 
1699 10 A GLU 52  mp0     -67.0  103.3  Allowed 
1700 10 A GLU 53  tt0     -89.6  -136.9 Allowed 
1701 10 A GLY 54  ?       77.2   38.8   Favored 
1702 10 A ALA 55  ?       -159.0 70.5   Allowed 
1703 10 A GLU 56  mp0     -90.5  34.6   Allowed 
1704 10 A ASP 57  p-10    -91.0  153.0  Favored 
1705 10 A ASP 58  p-10    -69.2  -22.1  Favored 
1706 10 A GLY 59  ?       -66.0  -34.7  Favored 
1707 10 A SER 60  m       -89.4  -1.4   Favored 
1708 10 A ASP 61  t70     -101.5 115.2  Favored 
1709 10 A GLU 62  OUTLIER -133.9 27.5   Favored 
1710 10 A HIS 63  m80     66.0   22.7   Favored 
1711 10 A VAL 64  t       -78.8  80.4   Allowed 
1712 10 A GLU 65  mm-40   -88.0  70.8   Favored 
1713 10 A ARG 66  ptp180  -85.1  139.1  Favored 
1714 10 A GLY 67  ?       144.4  -126.7 Favored 
1715 10 A ILE 68  pt      -113.8 142.4  Favored 
1716 10 A ASP 69  t70     -40.6  -46.6  Favored 
1717 10 A ILE 70  mm      -54.3  -43.2  Favored 
1718 10 A VAL 71  t       -83.2  -40.4  Favored 
1719 10 A LEU 72  mt      -74.2  -32.3  Favored 
1720 10 A ASN 73  t30     -78.2  -24.4  Favored 
1721 10 A HIS 74  m-70    -122.5 -6.7   Favored 
1722 10 A LYS 75  tptt    54.6   70.3   Allowed 
1723 10 A LEU 76  mt      -96.0  139.3  Favored 
1724 10 A VAL 77  p       -89.8  133.6  Favored 
1725 10 A GLU 78  pt-20   -56.5  152.5  Favored 
1726 10 A MET 79  tpt     -148.4 144.6  Favored 
1727 10 A ASN 80  p30     -137.5 151.5  Favored 
1728 10 A CYS 81  p       -88.9  -2.2   Favored 
1729 10 A TYR 82  m-85    -75.5  -61.8  Allowed 
1730 10 A GLU 83  tt0     -104.0 -35.0  Favored 
1731 10 A ASP 84  m-20    -86.3  20.6   Favored 
1732 10 A ALA 85  ?       -55.0  -35.4  Favored 
1733 10 A SER 86  m       -70.0  -44.7  Favored 
1734 10 A MET 87  OUTLIER -70.4  -42.1  Favored 
1735 10 A PHE 88  t80     -68.5  -32.4  Favored 
1736 10 A LYS 89  ttmp?   -64.1  -34.9  Favored 
1737 10 A ALA 90  ?       -66.6  -39.4  Favored 
1738 10 A TYR 91  m-85    -69.1  -33.5  Favored 
1739 10 A ILE 92  mm      -62.9  -41.2  Favored 
1740 10 A LYS 93  tptt    -59.2  -44.7  Favored 
1741 10 A LYS 94  OUTLIER -61.4  -60.2  Favored 
1742 10 A PHE 95  t80     -49.2  -62.5  Allowed 
1743 10 A MET 96  ptm     -64.5  -44.6  Favored 
1744 10 A LYS 97  tptt    -66.8  -36.1  Favored 
1745 10 A ASN 98  t30     -61.3  -53.2  Favored 
1746 10 A VAL 99  m       -78.7  -29.7  Favored 
1747 10 A ILE 100 mt      -67.5  -40.7  Favored 
1748 10 A ASP 101 t70     -68.3  -36.9  Favored 
1749 10 A HIS 102 t-80    -66.1  -42.6  Favored 
1750 10 A MET 103 ttt     -66.3  -37.1  Favored 
1751 10 A GLU 104 tt0     -60.7  -25.1  Favored 
1752 10 A LYS 105 ttpt    -84.2  -37.6  Favored 
1753 10 A ASN 106 p30     -96.8  5.2    Favored 
1754 10 A ASN 107 m-80    -129.8 -50.3  Allowed 
1755 10 A ARG 108 ptt180  49.3   21.7   Allowed 
1756 10 A ASP 109 t70     -104.2 131.5  Favored 
1757 10 A LYS 110 mttt    -63.6  -45.1  Favored 
1758 10 A ALA 111 ?       -68.4  -34.5  Favored 
1759 10 A ASP 112 m-20    -73.8  -45.4  Favored 
1760 10 A VAL 113 m       -71.7  -31.0  Favored 
1761 10 A ASP 114 t70     -69.1  -41.8  Favored 
1762 10 A ALA 115 ?       -66.8  -42.5  Favored 
1763 10 A PHE 116 t80     -67.0  -42.1  Favored 
1764 10 A LYS 117 tttp    -53.9  -47.1  Favored 
1765 10 A LYS 118 tmtp?   -65.9  -39.5  Favored 
1766 10 A LYS 119 tptp    -69.2  -49.2  Favored 
1767 10 A ILE 120 tp      -74.6  -42.0  Favored 
1768 10 A GLN 121 pt20    -66.1  -39.5  Favored 
1769 10 A GLY 122 ?       -63.4  -40.7  Favored 
1770 10 A TRP 123 t-105   -67.8  -51.0  Favored 
1771 10 A VAL 124 m       -68.3  -43.3  Favored 
1772 10 A VAL 125 t       -66.2  -25.6  Favored 
1773 10 A SER 126 t       -77.7  -40.5  Favored 
1774 10 A LEU 127 tp      -73.7  -28.4  Favored 
1775 10 A LEU 128 mt      -84.4  1.6    Favored 
1776 10 A ALA 129 ?       -74.8  85.4   Favored 
1777 10 A LYS 130 pttp    -55.7  -29.5  Favored 
1778 10 A ASP 131 m-20    -72.3  -22.8  Favored 
1779 10 A ARG 132 tpp180  -103.2 -51.3  Favored 
1780 10 A PHE 133 m-85    -77.0  0.2    Favored 
1781 10 A LYS 134 pttt    -46.2  -7.4   OUTLIER 
1782 10 A ASN 135 m120    -82.2  9.8    Favored 
1783 10 A LEU 136 mt      -90.0  148.1  Favored 
1784 10 A ALA 137 ?       -138.9 116.1  Favored 
1785 10 A PHE 138 m-85    -89.2  147.6  Favored 
1786 10 A PHE 139 m-85    -141.3 143.2  Favored 
1787 10 A ILE 140 OUTLIER -123.6 138.0  Favored 
1788 10 A GLY 141 ?       -55.9  126.3  Favored 
1789 10 A GLU 142 tm-20   -56.8  -38.6  Favored 
1790 10 A ARG 143 mmm180  -57.3  -47.1  Favored 
1791 10 A ALA 144 ?       -67.6  -40.4  Favored 
1792 10 A ALA 145 ?       -70.0  -3.6   Favored 
1793 10 A GLU 146 tp10    -104.9 -18.0  Favored 
1794 10 A GLY 147 ?       -148.7 -74.3  OUTLIER 
1795 10 A ALA 148 ?       -83.2  80.2   Favored 
1796 10 A GLU 149 pt-20   -68.0  1.6    Favored 
1797 10 A ASN 150 p-10    -97.9  9.1    Favored 
1798 10 A GLY 151 ?       -63.0  154.6  Favored 
1799 10 A GLN 152 tt0     -85.6  143.9  Favored 
1800 10 A VAL 153 t       -82.1  116.3  Favored 
1801 10 A ALA 154 ?       -69.3  114.0  Favored 
1802 10 A ILE 155 mt      -91.6  109.9  Favored 
1803 10 A ILE 156 mm      -96.7  144.7  Favored 
1804 10 A GLU 157 tt0     -133.0 109.7  Favored 
1805 10 A TYR 158 p90     -83.4  92.0   Favored 
1806 10 A ARG 159 tpt180  -74.4  91.6   Favored 
1807 10 A ASP 160 t70     -68.3  112.4  Favored 
1808 10 A VAL 161 p       -106.5 92.1   Allowed 
1809 10 A ASP 162 t70     46.4   61.9   Favored 
1810 10 A GLY 163 ?       93.9   -12.8  Favored 
1811 10 A THR 164 m       -107.2 107.0  Favored 
1812 10 A GLU 165 pt-20   -73.3  141.1  Favored 
1813 10 A VAL 166 p       -127.3 91.3   Favored 
1814 10 A PRO 167 Cg_exo  -56.2  143.5  Favored 
1815 10 A THR 168 m       -145.9 126.5  Favored 
1816 10 A LEU 169 tp      -77.3  130.3  Favored 
1817 10 A MET 170 mtt     -128.8 123.8  Favored 
1818 10 A LEU 171 mt      -141.3 170.9  Favored 
1819 10 A VAL 172 p       -83.4  147.2  Favored 
1820 10 A LYS 173 OUTLIER -54.9  -27.6  Favored 
1821 10 A GLU 174 tp10    -85.6  -2.4   Favored 
1822 10 A ALA 175 ?       -106.0 -12.0  Favored 
1823 10 A ILE 176 mm      -108.8 140.9  Favored 
1824 10 A ILE 177 mm      -124.1 109.2  Favored 
1825 10 A GLU 178 mt-10   -89.7  121.0  Favored 
1826 10 A GLU 179 tt0     -121.9 116.0  Favored 
1827 10 A LYS 180 OUTLIER -100.0 109.8  Favored 
1828 10 A CYS 181 t       -100.9 95.4   Favored 
1829 10 A LEU 182 pt?     -139.3 -35.4  Allowed 
1830 10 A GLU 183 mm-40   ?      ?      ?       
1831 11 A MET 1   ttm     ?      ?      ?       
1832 11 A LEU 2   mt      -123.2 133.9  Favored 
1833 11 A ILE 3   mt      -106.5 117.1  Favored 
1834 11 A TYR 4   m-85    -89.7  122.2  Favored 
1835 11 A LYS 5   mttt    -123.2 131.4  Favored 
1836 11 A ASP 6   t70     -90.3  174.4  Favored 
1837 11 A ILE 7   mt      -53.7  -59.0  Favored 
1838 11 A PHE 8   m-85    -112.7 -23.1  Favored 
1839 11 A THR 9   m       -98.2  14.1   Favored 
1840 11 A ASP 10  p-10    -48.3  -33.1  Favored 
1841 11 A ASP 11  t70     -72.6  -42.9  Favored 
1842 11 A GLU 12  tp10    -121.2 24.7   Favored 
1843 11 A LEU 13  tm?     -77.2  -81.9  Allowed 
1844 11 A SER 14  m       -157.4 -178.3 Favored 
1845 11 A SER 15  p       177.3  -177.2 Allowed 
1846 11 A ASP 16  t70     85.9   -109.9 OUTLIER 
1847 11 A SER 17  m       -144.0 42.4   Allowed 
1848 11 A PHE 18  m-85    -108.3 98.9   Favored 
1849 11 A PRO 19  Cg_exo  -44.4  134.8  Favored 
1850 11 A MET 20  OUTLIER -116.2 146.6  Favored 
1851 11 A LYS 21  mttm    -110.7 157.4  Favored 
1852 11 A LEU 22  tp      -130.7 108.1  Favored 
1853 11 A VAL 23  p       -98.5  127.5  Favored 
1854 11 A ASP 24  t70     56.2   25.4   Favored 
1855 11 A ASP 25  m-20    53.1   16.0   Allowed 
1856 11 A LEU 26  tp      -105.1 -51.5  Favored 
1857 11 A VAL 27  t       -123.5 133.7  Favored 
1858 11 A TYR 28  m-85    -84.8  120.1  Favored 
1859 11 A GLU 29  tt0     -99.1  103.2  Favored 
1860 11 A PHE 30  t80     -94.2  141.2  Favored 
1861 11 A LYS 31  ttpp    -71.5  139.9  Favored 
1862 11 A GLY 32  ?       -164.3 149.7  Favored 
1863 11 A LYS 33  ptpt    -126.9 161.4  Favored 
1864 11 A HIS 34  t-80    -75.2  120.7  Favored 
1865 11 A VAL 35  m       -145.1 164.6  Favored 
1866 11 A VAL 36  m       -94.9  160.6  Favored 
1867 11 A ARG 37  ttt180  -142.7 112.4  Favored 
1868 11 A LYS 38  tttp    -125.3 140.2  Favored 
1869 11 A GLU 39  OUTLIER -59.7  -26.4  Favored 
1870 11 A GLY 40  ?       -69.0  -61.7  Favored 
1871 11 A GLU 41  OUTLIER -176.8 152.1  Allowed 
1872 11 A ILE 42  tt      -72.5  102.8  Allowed 
1873 11 A VAL 43  t       -109.3 81.2   Allowed 
1874 11 A LEU 44  pp      -85.3  -18.9  Favored 
1875 11 A ALA 45  ?       -111.2 127.1  Favored 
1876 11 A GLY 46  ?       89.7   68.2   Allowed 
1877 11 A SER 47  p       -84.9  123.2  Favored 
1878 11 A ASN 48  p-10    -67.0  151.7  Favored 
1879 11 A PRO 49  Cg_exo  -58.9  97.3   OUTLIER 
1880 11 A SER 50  t       -58.6  93.5   OUTLIER 
1881 11 A ALA 51  ?       -97.1  94.2   Favored 
1882 11 A GLU 52  tt0     -77.4  88.1   Favored 
1883 11 A GLU 53  pt-20   -134.3 91.3   Favored 
1884 11 A GLY 54  ?       158.1  122.8  Allowed 
1885 11 A ALA 55  ?       -65.1  -44.2  Favored 
1886 11 A GLU 56  tp10    -73.4  100.7  Favored 
1887 11 A ASP 57  t70     -76.8  145.7  Favored 
1888 11 A ASP 58  p-10    -114.2 -4.0   Favored 
1889 11 A GLY 59  ?       -64.0  84.0   OUTLIER 
1890 11 A SER 60  p       -100.3 167.8  Favored 
1891 11 A ASP 61  m-20    -73.5  -12.2  Favored 
1892 11 A GLU 62  tt0     -53.1  -44.2  Favored 
1893 11 A HIS 63  p-80    -129.8 84.8   Favored 
1894 11 A VAL 64  t       -57.6  -31.4  Favored 
1895 11 A GLU 65  mm-40   73.5   -57.7  Allowed 
1896 11 A ARG 66  ttt-85  -116.1 129.3  Favored 
1897 11 A GLY 67  ?       -173.1 -165.0 Favored 
1898 11 A ILE 68  pt      -104.1 146.9  Favored 
1899 11 A ASP 69  t70     -48.2  -47.2  Favored 
1900 11 A ILE 70  mt      -52.7  -45.6  Favored 
1901 11 A VAL 71  t       -94.0  -28.6  Favored 
1902 11 A LEU 72  mt      -75.7  -18.7  Favored 
1903 11 A ASN 73  t-20    -95.4  -55.8  Favored 
1904 11 A HIS 74  m-70    -86.8  3.3    Favored 
1905 11 A LYS 75  ttpt    58.0   35.4   Favored 
1906 11 A LEU 76  mt      -74.5  141.6  Favored 
1907 11 A VAL 77  p       -85.6  129.2  Favored 
1908 11 A GLU 78  pt-20   -75.3  145.3  Favored 
1909 11 A MET 79  mtp     -141.9 134.5  Favored 
1910 11 A ASN 80  m-80    -93.8  138.2  Favored 
1911 11 A CYS 81  p       -67.1  -21.7  Favored 
1912 11 A TYR 82  m-85    -58.2  -52.8  Favored 
1913 11 A GLU 83  mt-10   -105.3 -36.9  Favored 
1914 11 A ASP 84  m-20    -91.9  18.9   Favored 
1915 11 A ALA 85  ?       -63.4  -42.1  Favored 
1916 11 A SER 86  p       -65.6  -45.2  Favored 
1917 11 A MET 87  mmt     -63.1  -38.8  Favored 
1918 11 A PHE 88  t80     -76.0  -28.9  Favored 
1919 11 A LYS 89  tttp    -68.6  -38.4  Favored 
1920 11 A ALA 90  ?       -63.0  -43.4  Favored 
1921 11 A TYR 91  m-85    -59.1  -45.6  Favored 
1922 11 A ILE 92  mm      -60.5  -40.4  Favored 
1923 11 A LYS 93  OUTLIER -63.3  -45.4  Favored 
1924 11 A LYS 94  mtpm?   -73.1  -47.1  Favored 
1925 11 A PHE 95  t80     -53.5  -44.8  Favored 
1926 11 A MET 96  ttm     -59.0  -53.6  Favored 
1927 11 A LYS 97  tptp    -59.0  -38.4  Favored 
1928 11 A ASN 98  t-20    -72.8  -47.5  Favored 
1929 11 A VAL 99  m       -69.5  -34.1  Favored 
1930 11 A ILE 100 mt      -76.5  -35.1  Favored 
1931 11 A ASP 101 t70     -58.9  -46.2  Favored 
1932 11 A HIS 102 t-80    -62.5  -48.9  Favored 
1933 11 A MET 103 tpt     -61.9  -38.8  Favored 
1934 11 A GLU 104 tt0     -71.9  -38.9  Favored 
1935 11 A LYS 105 mtpt    -80.5  -27.4  Favored 
1936 11 A ASN 106 OUTLIER -82.3  -36.3  Favored 
1937 11 A ASN 107 t-20    -101.1 -49.3  Favored 
1938 11 A ARG 108 mtm-85  70.2   4.2    Favored 
1939 11 A ASP 109 t70     -99.4  117.9  Favored 
1940 11 A LYS 110 ttmm    -50.8  -45.2  Favored 
1941 11 A ALA 111 ?       -72.0  -31.4  Favored 
1942 11 A ASP 112 t70     -80.0  -45.3  Favored 
1943 11 A VAL 113 m       -71.7  -23.5  Favored 
1944 11 A ASP 114 t70     -59.0  -43.9  Favored 
1945 11 A ALA 115 ?       -66.4  -46.3  Favored 
1946 11 A PHE 116 t80     -57.6  -48.1  Favored 
1947 11 A LYS 117 pptp?   -70.7  -30.6  Favored 
1948 11 A LYS 118 tmtp?   -61.2  -45.1  Favored 
1949 11 A LYS 119 mptm?   -65.5  -46.5  Favored 
1950 11 A ILE 120 mm      -66.8  -42.1  Favored 
1951 11 A GLN 121 tm0?    -54.8  -57.3  Favored 
1952 11 A GLY 122 ?       -61.7  -38.4  Favored 
1953 11 A TRP 123 t90     -64.7  -53.3  Favored 
1954 11 A VAL 124 m       -70.6  -30.5  Favored 
1955 11 A VAL 125 t       -66.5  -41.5  Favored 
1956 11 A SER 126 t       -65.8  -43.5  Favored 
1957 11 A LEU 127 tp      -73.1  -30.1  Favored 
1958 11 A LEU 128 mt      -86.5  3.1    Favored 
1959 11 A ALA 129 ?       -67.6  151.0  Favored 
1960 11 A LYS 130 ptpt    -93.5  -28.7  Favored 
1961 11 A ASP 131 m-20    -66.1  -48.2  Favored 
1962 11 A ARG 132 mtt180  -110.8 -32.9  Favored 
1963 11 A PHE 133 m-85    -78.2  -1.2   Favored 
1964 11 A LYS 134 pttp    -55.6  -21.0  Favored 
1965 11 A ASN 135 m120    -82.5  17.3   Allowed 
1966 11 A LEU 136 mt      -89.8  148.1  Favored 
1967 11 A ALA 137 ?       -138.8 126.5  Favored 
1968 11 A PHE 138 m-85    -91.4  134.1  Favored 
1969 11 A PHE 139 m-85    -136.3 151.9  Favored 
1970 11 A ILE 140 pt      -137.2 170.7  Favored 
1971 11 A GLY 141 ?       -76.4  154.6  Favored 
1972 11 A GLU 142 mm-40   -53.2  -43.1  Favored 
1973 11 A ARG 143 mmt180  -65.7  -37.4  Favored 
1974 11 A ALA 144 ?       -59.9  -58.6  Favored 
1975 11 A ALA 145 ?       -63.9  -18.0  Favored 
1976 11 A GLU 146 tp10    -77.5  -41.0  Favored 
1977 11 A GLY 147 ?       -176.7 -26.4  OUTLIER 
1978 11 A ALA 148 ?       -72.9  177.1  Favored 
1979 11 A GLU 149 OUTLIER -99.1  -172.6 Favored 
1980 11 A ASN 150 t-20    -78.3  -50.0  Favored 
1981 11 A GLY 151 ?       61.1   -98.6  Allowed 
1982 11 A GLN 152 tt0     -121.9 144.1  Favored 
1983 11 A VAL 153 t       -76.0  133.1  Favored 
1984 11 A ALA 154 ?       -66.4  97.2   Allowed 
1985 11 A ILE 155 mt      -85.9  101.6  Favored 
1986 11 A ILE 156 mm      -91.8  140.2  Favored 
1987 11 A GLU 157 tt0     -130.4 105.5  Favored 
1988 11 A TYR 158 p90     -73.5  88.8   Allowed 
1989 11 A ARG 159 ttt180  -92.7  174.1  Favored 
1990 11 A ASP 160 t70     -122.8 138.7  Favored 
1991 11 A VAL 161 p       -131.3 102.6  Favored 
1992 11 A ASP 162 t70     62.5   25.0   Favored 
1993 11 A GLY 163 ?       109.1  -14.0  Favored 
1994 11 A THR 164 m       -94.8  122.2  Favored 
1995 11 A GLU 165 tt0     -72.9  116.2  Favored 
1996 11 A VAL 166 m       -124.2 93.7   Favored 
1997 11 A PRO 167 Cg_endo -52.5  121.5  Favored 
1998 11 A THR 168 p       -108.0 117.1  Favored 
1999 11 A LEU 169 tp      -80.2  117.6  Favored 
2000 11 A MET 170 tpp     -101.0 120.8  Favored 
2001 11 A LEU 171 mt      -143.8 143.9  Favored 
2002 11 A VAL 172 p       -91.1  138.3  Favored 
2003 11 A LYS 173 tttp    -65.5  -26.4  Favored 
2004 11 A GLU 174 mp0     -86.1  -1.0   Favored 
2005 11 A ALA 175 ?       -120.0 -18.8  Favored 
2006 11 A ILE 176 mt      -136.6 139.6  Favored 
2007 11 A ILE 177 mm      -142.2 139.6  Favored 
2008 11 A GLU 178 OUTLIER -80.0  143.0  Favored 
2009 11 A GLU 179 tp10    -101.3 109.4  Favored 
2010 11 A LYS 180 mttt    -69.8  98.0   Allowed 
2011 11 A CYS 181 t       -108.2 91.6   Favored 
2012 11 A LEU 182 pt?     -151.4 173.8  Favored 
2013 11 A GLU 183 tt0     ?      ?      ?       
2014 12 A MET 1   ptt?    ?      ?      ?       
2015 12 A LEU 2   mt      -118.7 159.8  Favored 
2016 12 A ILE 3   mt      -126.8 118.1  Favored 
2017 12 A TYR 4   t80     -101.4 113.9  Favored 
2018 12 A LYS 5   mtpp    -125.6 117.1  Favored 
2019 12 A ASP 6   t70     -105.9 134.8  Favored 
2020 12 A ILE 7   pt      -66.4  -5.5   Favored 
2021 12 A PHE 8   m-85    -107.9 -46.7  Favored 
2022 12 A THR 9   p       -111.8 18.7   Favored 
2023 12 A ASP 10  t70     -46.9  -42.2  Favored 
2024 12 A ASP 11  m-20    -56.0  -39.1  Favored 
2025 12 A GLU 12  mm-40   -120.6 11.3   Favored 
2026 12 A LEU 13  OUTLIER -66.9  -95.9  OUTLIER 
2027 12 A SER 14  t       -158.2 178.4  Favored 
2028 12 A SER 15  p       163.3  104.4  OUTLIER 
2029 12 A ASP 16  t70     -171.6 161.1  Favored 
2030 12 A SER 17  m       -68.9  83.8   Allowed 
2031 12 A PHE 18  p90     -127.2 159.1  Favored 
2032 12 A PRO 19  Cg_endo -83.0  120.9  Favored 
2033 12 A MET 20  ptm     -87.7  157.9  Favored 
2034 12 A LYS 21  tttp    -152.0 145.6  Favored 
2035 12 A LEU 22  tp      -109.5 125.8  Favored 
2036 12 A VAL 23  p       -110.2 129.8  Favored 
2037 12 A ASP 24  m-20    55.9   23.7   Favored 
2038 12 A ASP 25  t70     54.8   26.8   Favored 
2039 12 A LEU 26  tp      -135.1 -51.2  Allowed 
2040 12 A VAL 27  t       -120.4 148.7  Favored 
2041 12 A TYR 28  t80     -86.2  139.4  Favored 
2042 12 A GLU 29  tt0     -123.6 129.4  Favored 
2043 12 A PHE 30  t80     -114.3 124.7  Favored 
2044 12 A LYS 31  mmtt    -83.5  95.7   Favored 
2045 12 A GLY 32  ?       -87.3  176.6  Favored 
2046 12 A LYS 33  ptpp?   -125.1 158.1  Favored 
2047 12 A HIS 34  p-80    -90.6  117.6  Favored 
2048 12 A VAL 35  m       -143.5 153.6  Favored 
2049 12 A VAL 36  m       -128.6 127.5  Favored 
2050 12 A ARG 37  tpt180  -105.3 108.5  Favored 
2051 12 A LYS 38  ttmm    -106.3 96.6   Favored 
2052 12 A GLU 39  tp10    46.6   58.5   Favored 
2053 12 A GLY 40  ?       87.0   -33.1  Favored 
2054 12 A GLU 41  tt0     -93.2  116.2  Favored 
2055 12 A ILE 42  tt      -80.8  115.9  Favored 
2056 12 A VAL 43  m       -142.0 90.5   Allowed 
2057 12 A LEU 44  pp      -101.9 173.1  Favored 
2058 12 A ALA 45  ?       -159.1 -43.0  Allowed 
2059 12 A GLY 46  ?       154.2  135.1  Favored 
2060 12 A SER 47  m       -81.9  82.7   Favored 
2061 12 A ASN 48  t30     -55.7  -48.6  Favored 
2062 12 A PRO 49  Cg_endo -73.1  149.0  Favored 
2063 12 A SER 50  m       -77.0  171.3  Favored 
2064 12 A ALA 51  ?       -71.7  86.0   Allowed 
2065 12 A GLU 52  tt0     -78.0  86.2   Favored 
2066 12 A GLU 53  mm-40   -94.5  70.7   Favored 
2067 12 A GLY 54  ?       -129.6 11.1   Favored 
2068 12 A ALA 55  ?       -86.9  94.0   Favored 
2069 12 A GLU 56  pt-20   -79.3  -36.9  Favored 
2070 12 A ASP 57  t70     -79.6  -23.4  Favored 
2071 12 A ASP 58  t70     -137.1 126.7  Favored 
2072 12 A GLY 59  ?       -152.8 37.8   Allowed 
2073 12 A SER 60  p       -80.0  138.2  Favored 
2074 12 A ASP 61  m-20    -94.7  96.6   Favored 
2075 12 A GLU 62  mp0     -76.2  -178.8 Favored 
2076 12 A HIS 63  m80     -79.8  16.0   Allowed 
2077 12 A VAL 64  t       -78.6  80.3   Allowed 
2078 12 A GLU 65  mt-10   -94.2  62.1   Favored 
2079 12 A ARG 66  ttt180  -74.9  127.7  Favored 
2080 12 A GLY 67  ?       161.3  -134.7 Favored 
2081 12 A ILE 68  pt      -111.9 151.8  Favored 
2082 12 A ASP 69  t70     -60.1  -35.1  Favored 
2083 12 A ILE 70  mt      -53.9  -46.5  Favored 
2084 12 A VAL 71  t       -76.0  -44.3  Favored 
2085 12 A LEU 72  mt      -66.2  -32.0  Favored 
2086 12 A ASN 73  t30     -58.9  -52.4  Favored 
2087 12 A HIS 74  t60     -89.4  -22.9  Favored 
2088 12 A LYS 75  mmmp?   69.3   70.4   Allowed 
2089 12 A LEU 76  mt      -85.7  151.7  Favored 
2090 12 A VAL 77  p       -90.5  138.4  Favored 
2091 12 A GLU 78  tp10    -60.4  138.8  Favored 
2092 12 A MET 79  tpp     -132.4 103.0  Favored 
2093 12 A ASN 80  t-20    -63.9  113.6  Favored 
2094 12 A CYS 81  t       -59.0  -33.5  Favored 
2095 12 A TYR 82  m-85    -68.1  -29.6  Favored 
2096 12 A GLU 83  tp10    -104.9 -33.1  Favored 
2097 12 A ASP 84  t70     -115.3 19.5   Favored 
2098 12 A ALA 85  ?       -58.5  -35.6  Favored 
2099 12 A SER 86  m       -72.5  -43.9  Favored 
2100 12 A MET 87  mmt     -70.8  -29.7  Favored 
2101 12 A PHE 88  t80     -67.5  -32.7  Favored 
2102 12 A LYS 89  ttmt    -64.6  -36.9  Favored 
2103 12 A ALA 90  ?       -65.8  -36.1  Favored 
2104 12 A TYR 91  m-85    -69.8  -34.6  Favored 
2105 12 A ILE 92  mm      -66.1  -36.2  Favored 
2106 12 A LYS 93  tttt    -57.5  -46.8  Favored 
2107 12 A LYS 94  mmtt    -68.6  -45.0  Favored 
2108 12 A PHE 95  t80     -47.8  -65.6  Allowed 
2109 12 A MET 96  mtp     -63.1  -44.1  Favored 
2110 12 A LYS 97  ttmm    -57.9  -49.9  Favored 
2111 12 A ASN 98  t-20    -70.1  -43.8  Favored 
2112 12 A VAL 99  m       -69.2  -38.9  Favored 
2113 12 A ILE 100 mt      -71.5  -43.2  Favored 
2114 12 A ASP 101 t70     -56.8  -41.1  Favored 
2115 12 A HIS 102 t60     -58.9  -48.1  Favored 
2116 12 A MET 103 mmm     -62.4  -36.2  Favored 
2117 12 A GLU 104 mt-10   -71.1  -24.8  Favored 
2118 12 A LYS 105 mtpp    -81.4  -49.9  Favored 
2119 12 A ASN 106 m-80    -84.2  -14.0  Favored 
2120 12 A ASN 107 t30     -140.1 -59.6  Allowed 
2121 12 A ARG 108 ttm180  69.3   15.6   Favored 
2122 12 A ASP 109 t70     -80.2  114.6  Favored 
2123 12 A LYS 110 mtmt    -57.2  -42.7  Favored 
2124 12 A ALA 111 ?       -66.7  -39.2  Favored 
2125 12 A ASP 112 t70     -75.9  -42.4  Favored 
2126 12 A VAL 113 m       -72.8  -28.6  Favored 
2127 12 A ASP 114 t70     -68.0  -43.9  Favored 
2128 12 A ALA 115 ?       -65.1  -42.5  Favored 
2129 12 A PHE 116 t80     -61.2  -44.1  Favored 
2130 12 A LYS 117 OUTLIER -60.2  -39.0  Favored 
2131 12 A LYS 118 mtpt    -71.9  -36.9  Favored 
2132 12 A LYS 119 mtpt    -64.3  -44.5  Favored 
2133 12 A ILE 120 mm      -65.0  -44.6  Favored 
2134 12 A GLN 121 tp-100  -56.4  -51.1  Favored 
2135 12 A GLY 122 ?       -64.0  -42.6  Favored 
2136 12 A TRP 123 t-105   -62.9  -49.9  Favored 
2137 12 A VAL 124 m       -67.2  -49.0  Favored 
2138 12 A VAL 125 m       -64.2  -31.2  Favored 
2139 12 A SER 126 m       -72.1  -37.5  Favored 
2140 12 A LEU 127 tp      -77.3  -26.1  Favored 
2141 12 A LEU 128 mt      -85.5  2.5    Favored 
2142 12 A ALA 129 ?       -74.9  147.8  Favored 
2143 12 A LYS 130 ttmt    -69.3  -13.4  Favored 
2144 12 A ASP 131 m-20    -58.2  -45.6  Favored 
2145 12 A ARG 132 mpt_?   -78.4  -47.5  Favored 
2146 12 A PHE 133 m-85    -57.8  -26.0  Favored 
2147 12 A LYS 134 ttpt    -61.1  -36.1  Favored 
2148 12 A ASN 135 t-20    -104.6 -8.0   Favored 
2149 12 A LEU 136 mt      -88.5  139.6  Favored 
2150 12 A ALA 137 ?       -129.7 124.8  Favored 
2151 12 A PHE 138 m-85    -95.9  140.5  Favored 
2152 12 A PHE 139 m-85    -138.3 138.4  Favored 
2153 12 A ILE 140 pp      -138.2 175.7  Favored 
2154 12 A GLY 141 ?       -62.1  120.0  Favored 
2155 12 A GLU 142 pt-20   -57.4  -18.3  Favored 
2156 12 A ARG 143 mpt_?   -68.7  -40.4  Favored 
2157 12 A ALA 144 ?       -80.4  -6.0   Favored 
2158 12 A ALA 145 ?       -70.2  2.2    Favored 
2159 12 A GLU 146 pt-20   -71.9  -24.6  Favored 
2160 12 A GLY 147 ?       -160.0 -64.3  OUTLIER 
2161 12 A ALA 148 ?       -163.3 146.0  Favored 
2162 12 A GLU 149 tp10    -71.2  -41.3  Favored 
2163 12 A ASN 150 m-20    60.0   44.1   Favored 
2164 12 A GLY 151 ?       -156.3 -150.9 Favored 
2165 12 A GLN 152 pt20    -96.6  140.4  Favored 
2166 12 A VAL 153 t       -87.2  142.8  Favored 
2167 12 A ALA 154 ?       -63.8  97.5   Allowed 
2168 12 A ILE 155 mt      -85.3  101.6  Favored 
2169 12 A ILE 156 mm      -101.6 114.2  Favored 
2170 12 A GLU 157 tt0     -112.2 103.8  Favored 
2171 12 A TYR 158 p90     -81.7  94.5   Favored 
2172 12 A ARG 159 ttt-85  -90.3  155.1  Favored 
2173 12 A ASP 160 t70     -104.0 123.8  Favored 
2174 12 A VAL 161 p       -128.7 116.2  Favored 
2175 12 A ASP 162 t70     62.2   15.2   Favored 
2176 12 A GLY 163 ?       94.8   25.3   Favored 
2177 12 A THR 164 m       -121.7 130.6  Favored 
2178 12 A GLU 165 mp0     -80.8  98.6   Favored 
2179 12 A VAL 166 p       -109.5 95.6   Favored 
2180 12 A PRO 167 Cg_endo -68.2  129.5  Favored 
2181 12 A THR 168 p       -109.8 110.2  Favored 
2182 12 A LEU 169 tp      -79.1  112.5  Favored 
2183 12 A MET 170 mtt     -100.8 122.3  Favored 
2184 12 A LEU 171 mt      -141.6 130.9  Favored 
2185 12 A VAL 172 p       -69.1  137.8  Favored 
2186 12 A LYS 173 tmpt?   -60.3  -35.5  Favored 
2187 12 A GLU 174 mp0     -70.3  -6.0   Favored 
2188 12 A ALA 175 ?       -126.1 -6.4   Favored 
2189 12 A ILE 176 tp      -125.0 143.1  Favored 
2190 12 A ILE 177 mm      -130.9 110.3  Favored 
2191 12 A GLU 178 tp10    -96.9  127.5  Favored 
2192 12 A GLU 179 mm-40   -115.0 114.8  Favored 
2193 12 A LYS 180 mtmm    -83.4  96.7   Favored 
2194 12 A CYS 181 p       -108.8 89.0   Favored 
2195 12 A LEU 182 mm?     -87.2  -68.2  Allowed 
2196 12 A GLU 183 mm-40   ?      ?      ?       
2197 13 A MET 1   mtt     ?      ?      ?       
2198 13 A LEU 2   mt      -115.4 146.9  Favored 
2199 13 A ILE 3   mt      -95.8  119.6  Favored 
2200 13 A TYR 4   m-85    -118.9 129.1  Favored 
2201 13 A LYS 5   OUTLIER -144.4 155.1  Favored 
2202 13 A ASP 6   t70     -101.1 144.6  Favored 
2203 13 A ILE 7   pt      -81.3  -6.4   Favored 
2204 13 A PHE 8   m-85    -106.7 -64.0  Allowed 
2205 13 A THR 9   m       -130.1 -25.3  Favored 
2206 13 A ASP 10  t0      -99.9  25.9   Favored 
2207 13 A ASP 11  t70     -48.6  -20.3  Allowed 
2208 13 A GLU 12  pm0     -85.8  -37.6  Favored 
2209 13 A LEU 13  tp      28.6   -87.9  OUTLIER 
2210 13 A SER 14  m       -157.9 121.9  Favored 
2211 13 A SER 15  p       -113.7 67.5   Allowed 
2212 13 A ASP 16  t70     -159.5 177.3  Favored 
2213 13 A SER 17  m       -84.5  76.3   Favored 
2214 13 A PHE 18  m-85    -100.6 139.2  Favored 
2215 13 A PRO 19  Cg_endo -64.9  118.7  Favored 
2216 13 A MET 20  ppp?    -129.2 162.7  Favored 
2217 13 A LYS 21  tppt?   -151.2 115.3  Favored 
2218 13 A LEU 22  tp      -88.8  113.3  Favored 
2219 13 A VAL 23  p       -103.9 132.1  Favored 
2220 13 A ASP 24  t0      55.0   23.0   Favored 
2221 13 A ASP 25  t70     59.8   12.4   Favored 
2222 13 A LEU 26  tp      -109.5 -51.9  Favored 
2223 13 A VAL 27  t       -108.6 126.0  Favored 
2224 13 A TYR 28  t80     -83.3  114.9  Favored 
2225 13 A GLU 29  tt0     -112.7 119.5  Favored 
2226 13 A PHE 30  t80     -105.4 107.1  Favored 
2227 13 A LYS 31  mtmt    -77.1  153.1  Favored 
2228 13 A GLY 32  ?       -153.2 -163.9 Favored 
2229 13 A LYS 33  mtmt    -140.0 136.7  Favored 
2230 13 A HIS 34  t60     -69.1  128.5  Favored 
2231 13 A VAL 35  m       -147.3 178.6  Allowed 
2232 13 A VAL 36  m       -125.4 141.4  Favored 
2233 13 A ARG 37  mpt_?   -105.2 105.5  Favored 
2234 13 A LYS 38  tttp    -127.5 125.2  Favored 
2235 13 A GLU 39  tt0     -64.5  84.4   OUTLIER 
2236 13 A GLY 40  ?       149.1  -49.0  Allowed 
2237 13 A GLU 41  pt-20   -166.5 129.2  Allowed 
2238 13 A ILE 42  tt      -72.2  106.5  Favored 
2239 13 A VAL 43  m       -127.6 88.3   Allowed 
2240 13 A LEU 44  pp      -73.7  -19.4  Favored 
2241 13 A ALA 45  ?       -87.4  -20.9  Favored 
2242 13 A GLY 46  ?       -79.5  70.1   Favored 
2243 13 A SER 47  m       -87.9  90.4   Favored 
2244 13 A ASN 48  m120    -61.9  -53.1  Favored 
2245 13 A PRO 49  Cg_endo -80.2  -2.2   Favored 
2246 13 A SER 50  m       60.0   21.1   Favored 
2247 13 A ALA 51  ?       -164.1 78.7   Allowed 
2248 13 A GLU 52  tt0     -69.0  -29.3  Favored 
2249 13 A GLU 53  mt-10   -60.0  78.3   OUTLIER 
2250 13 A GLY 54  ?       -93.1  -60.3  Allowed 
2251 13 A ALA 55  ?       57.5   32.0   Favored 
2252 13 A GLU 56  tt0     -166.2 100.2  Allowed 
2253 13 A ASP 57  t70     77.7   -30.3  Allowed 
2254 13 A ASP 58  p-10    -78.9  -13.0  Favored 
2255 13 A GLY 59  ?       -90.0  24.5   Favored 
2256 13 A SER 60  t       -66.4  153.3  Favored 
2257 13 A ASP 61  t70     -65.5  -21.5  Favored 
2258 13 A GLU 62  OUTLIER -74.2  111.3  Favored 
2259 13 A HIS 63  m80     76.4   -57.3  Allowed 
2260 13 A VAL 64  t       72.3   -78.1  OUTLIER 
2261 13 A GLU 65  pt-20   51.4   -70.6  OUTLIER 
2262 13 A ARG 66  ttp85   -74.2  111.6  Favored 
2263 13 A GLY 67  ?       177.2  -172.3 Favored 
2264 13 A ILE 68  pt      -96.1  150.7  Favored 
2265 13 A ASP 69  t70     -56.1  -34.1  Favored 
2266 13 A ILE 70  mt      -55.1  -51.4  Favored 
2267 13 A VAL 71  t       -75.0  -46.3  Favored 
2268 13 A LEU 72  mt      -63.2  -37.2  Favored 
2269 13 A ASN 73  t-20    -68.2  -47.0  Favored 
2270 13 A HIS 74  t-80    -80.5  -17.7  Favored 
2271 13 A LYS 75  mtmm    62.8   61.7   Allowed 
2272 13 A LEU 76  mt      -101.3 140.2  Favored 
2273 13 A VAL 77  p       -93.6  137.4  Favored 
2274 13 A GLU 78  pt-20   -63.5  157.1  Favored 
2275 13 A MET 79  ttm     -147.3 104.2  Favored 
2276 13 A ASN 80  m-20    -101.9 124.9  Favored 
2277 13 A CYS 81  p       -61.4  -11.1  Favored 
2278 13 A TYR 82  m-85    -53.5  -48.9  Favored 
2279 13 A GLU 83  mt-10   -104.0 -39.2  Favored 
2280 13 A ASP 84  m-20    -88.2  20.4   Favored 
2281 13 A ALA 85  ?       -58.5  -51.5  Favored 
2282 13 A SER 86  t       -65.9  -38.7  Favored 
2283 13 A MET 87  mpt?    -69.2  -40.6  Favored 
2284 13 A PHE 88  t80     -70.6  -31.9  Favored 
2285 13 A LYS 89  mmmt    -67.4  -35.2  Favored 
2286 13 A ALA 90  ?       -64.6  -40.3  Favored 
2287 13 A TYR 91  m-85    -69.6  -34.4  Favored 
2288 13 A ILE 92  mm      -67.8  -34.0  Favored 
2289 13 A LYS 93  tttp    -63.0  -47.6  Favored 
2290 13 A LYS 94  mtpp    -65.6  -46.7  Favored 
2291 13 A PHE 95  t80     -48.3  -64.8  Allowed 
2292 13 A MET 96  ttt     -58.1  -48.6  Favored 
2293 13 A LYS 97  mmtp    -58.4  -51.4  Favored 
2294 13 A ASN 98  m120    -73.7  -39.3  Favored 
2295 13 A VAL 99  m       -67.2  -37.8  Favored 
2296 13 A ILE 100 mt      -71.6  -54.2  Favored 
2297 13 A ASP 101 t70     -58.9  -33.2  Favored 
2298 13 A HIS 102 t60     -81.6  -52.6  Favored 
2299 13 A MET 103 tpt     -72.2  -31.5  Favored 
2300 13 A GLU 104 pt-20   -52.4  -55.5  Favored 
2301 13 A LYS 105 tttp    -82.3  -0.0   Favored 
2302 13 A ASN 106 m120    -101.6 -36.4  Favored 
2303 13 A ASN 107 t30     -92.7  -78.7  Allowed 
2304 13 A ARG 108 ttt180  -153.5 13.4   Allowed 
2305 13 A ASP 109 t70     68.9   -74.1  Allowed 
2306 13 A LYS 110 mtpp    -99.0  -66.4  Allowed 
2307 13 A ALA 111 ?       -58.1  -43.9  Favored 
2308 13 A ASP 112 OUTLIER -73.5  -46.4  Favored 
2309 13 A VAL 113 m       -76.2  -22.7  Favored 
2310 13 A ASP 114 t70     -61.6  -55.1  Favored 
2311 13 A ALA 115 ?       -59.0  -42.0  Favored 
2312 13 A PHE 116 t80     -62.0  -41.9  Favored 
2313 13 A LYS 117 ttpt    -64.6  -41.5  Favored 
2314 13 A LYS 118 tttp    -64.5  -42.8  Favored 
2315 13 A LYS 119 tppt?   -72.9  -40.2  Favored 
2316 13 A ILE 120 tp      -76.5  -34.5  Favored 
2317 13 A GLN 121 tm0?    -61.4  -44.5  Favored 
2318 13 A GLY 122 ?       -63.3  -41.4  Favored 
2319 13 A TRP 123 t90     -63.6  -53.0  Favored 
2320 13 A VAL 124 m       -63.6  -44.8  Favored 
2321 13 A VAL 125 m       -62.6  -38.0  Favored 
2322 13 A SER 126 m       -71.8  -31.1  Favored 
2323 13 A LEU 127 tp      -83.0  -19.0  Favored 
2324 13 A LEU 128 mt      -92.0  3.2    Favored 
2325 13 A ALA 129 ?       -62.1  88.3   OUTLIER 
2326 13 A LYS 130 ptmm?   -58.2  -19.8  Favored 
2327 13 A ASP 131 m-20    -61.5  -40.8  Favored 
2328 13 A ARG 132 mtp180  -108.2 -37.2  Favored 
2329 13 A PHE 133 m-85    -81.1  -2.4   Favored 
2330 13 A LYS 134 ptmt    -59.3  -15.8  Favored 
2331 13 A ASN 135 m120    -103.3 26.7   Favored 
2332 13 A LEU 136 mt      -86.6  133.2  Favored 
2333 13 A ALA 137 ?       -101.7 109.3  Favored 
2334 13 A PHE 138 m-85    -92.2  145.9  Favored 
2335 13 A PHE 139 m-85    -140.5 146.4  Favored 
2336 13 A ILE 140 pp      -147.0 163.2  Favored 
2337 13 A GLY 141 ?       -64.7  147.3  Favored 
2338 13 A GLU 142 tt0     -56.4  -25.3  Favored 
2339 13 A ARG 143 OUTLIER -61.6  -36.4  Favored 
2340 13 A ALA 144 ?       -68.1  -42.7  Favored 
2341 13 A ALA 145 ?       -82.6  -0.7   Favored 
2342 13 A GLU 146 tt0     -90.9  -19.0  Favored 
2343 13 A GLY 147 ?       106.7  45.9   Allowed 
2344 13 A ALA 148 ?       -156.7 108.4  Favored 
2345 13 A GLU 149 mm-40   49.3   89.7   OUTLIER 
2346 13 A ASN 150 m120    -61.2  -43.0  Favored 
2347 13 A GLY 151 ?       58.5   -148.8 Favored 
2348 13 A GLN 152 OUTLIER -92.9  138.6  Favored 
2349 13 A VAL 153 t       -82.7  123.9  Favored 
2350 13 A ALA 154 ?       -75.7  105.3  Favored 
2351 13 A ILE 155 mt      -91.8  121.3  Favored 
2352 13 A ILE 156 mm      -109.1 114.8  Favored 
2353 13 A GLU 157 tt0     -100.9 118.3  Favored 
2354 13 A TYR 158 p90     -80.0  112.5  Favored 
2355 13 A ARG 159 ttm180  -103.0 128.5  Favored 
2356 13 A ASP 160 t70     -78.2  120.2  Favored 
2357 13 A VAL 161 p       -128.2 107.2  Favored 
2358 13 A ASP 162 m-20    61.9   23.6   Favored 
2359 13 A GLY 163 ?       95.3   -2.2   Favored 
2360 13 A THR 164 m       -110.9 137.5  Favored 
2361 13 A GLU 165 pt-20   -73.0  145.6  Favored 
2362 13 A VAL 166 p       -128.4 101.2  Favored 
2363 13 A PRO 167 Cg_endo -65.8  128.5  Favored 
2364 13 A THR 168 p       -121.0 118.4  Favored 
2365 13 A LEU 169 tp      -77.2  111.7  Favored 
2366 13 A MET 170 mtt     -101.6 122.5  Favored 
2367 13 A LEU 171 mt      -136.7 143.4  Favored 
2368 13 A VAL 172 p       -78.9  138.6  Favored 
2369 13 A LYS 173 ttpm?   -58.4  -29.2  Favored 
2370 13 A GLU 174 mp0     -70.1  -26.3  Favored 
2371 13 A ALA 175 ?       -96.5  0.4    Favored 
2372 13 A ILE 176 mm      -121.2 125.0  Favored 
2373 13 A ILE 177 mm      -99.2  108.4  Favored 
2374 13 A GLU 178 mt-10   -88.8  116.2  Favored 
2375 13 A GLU 179 tt0     -126.3 106.1  Favored 
2376 13 A LYS 180 pttt    -88.3  119.8  Favored 
2377 13 A CYS 181 t       -78.2  89.8   Favored 
2378 13 A LEU 182 mt      -71.2  129.8  Favored 
2379 13 A GLU 183 tt0     ?      ?      ?       
2380 14 A MET 1   mtm     ?      ?      ?       
2381 14 A LEU 2   mt      -115.6 161.8  Favored 
2382 14 A ILE 3   tt      -105.8 130.2  Favored 
2383 14 A TYR 4   m-30    -97.8  136.7  Favored 
2384 14 A LYS 5   ptmt    -138.5 136.4  Favored 
2385 14 A ASP 6   t70     -109.2 177.2  Favored 
2386 14 A ILE 7   pt      -65.7  -43.1  Favored 
2387 14 A PHE 8   m-85    -111.4 -51.7  Favored 
2388 14 A THR 9   m       -84.2  19.1   Allowed 
2389 14 A ASP 10  t70     -44.4  -42.8  Favored 
2390 14 A ASP 11  m-20    -64.2  -47.3  Favored 
2391 14 A GLU 12  tt0     -124.4 27.4   Favored 
2392 14 A LEU 13  tm?     -64.6  -79.7  OUTLIER 
2393 14 A SER 14  m       -153.3 -176.2 Favored 
2394 14 A SER 15  t       -151.3 95.1   Favored 
2395 14 A ASP 16  t70     -61.9  95.7   Allowed 
2396 14 A SER 17  p       -120.5 25.1   Favored 
2397 14 A PHE 18  p90     -135.5 155.3  Favored 
2398 14 A PRO 19  Cg_endo -65.1  120.1  Favored 
2399 14 A MET 20  OUTLIER -94.8  149.9  Favored 
2400 14 A LYS 21  mttm    -136.2 145.0  Favored 
2401 14 A LEU 22  tp      -130.7 145.1  Favored 
2402 14 A VAL 23  p       -138.0 133.9  Favored 
2403 14 A ASP 24  m-20    58.8   16.2   Favored 
2404 14 A ASP 25  m-20    47.2   26.6   Allowed 
2405 14 A LEU 26  tp      -119.9 -46.7  Favored 
2406 14 A VAL 27  t       -119.8 126.5  Favored 
2407 14 A TYR 28  t80     -85.2  122.7  Favored 
2408 14 A GLU 29  pt-20   -112.7 147.0  Favored 
2409 14 A PHE 30  t80     -131.5 105.1  Favored 
2410 14 A LYS 31  ptmt    -82.0  103.6  Favored 
2411 14 A GLY 32  ?       -81.8  -157.4 Favored 
2412 14 A LYS 33  pttt    -124.1 161.3  Favored 
2413 14 A HIS 34  p-80    -93.1  118.1  Favored 
2414 14 A VAL 35  m       -147.0 159.8  Favored 
2415 14 A VAL 36  m       -133.9 132.6  Favored 
2416 14 A ARG 37  OUTLIER -122.6 149.7  Favored 
2417 14 A LYS 38  tttm    -133.9 132.1  Favored 
2418 14 A GLU 39  mm-40   65.2   12.5   Favored 
2419 14 A GLY 40  ?       94.8   21.2   Favored 
2420 14 A GLU 41  tt0     -127.4 127.3  Favored 
2421 14 A ILE 42  tp      -72.0  118.9  Favored 
2422 14 A VAL 43  m       -114.0 -46.5  Favored 
2423 14 A LEU 44  mm?     51.4   81.4   Allowed 
2424 14 A ALA 45  ?       -129.6 20.2   Favored 
2425 14 A GLY 46  ?       69.0   -135.7 Favored 
2426 14 A SER 47  m       61.1   29.5   Favored 
2427 14 A ASN 48  p-10    -128.7 52.4   Favored 
2428 14 A PRO 49  Cg_endo -64.1  -35.0  Favored 
2429 14 A SER 50  m       -131.7 152.5  Favored 
2430 14 A ALA 51  ?       -109.2 82.1   Allowed 
2431 14 A GLU 52  tp10    -82.5  -29.9  Favored 
2432 14 A GLU 53  mp0     -80.9  75.0   Favored 
2433 14 A GLY 54  ?       -73.6  -63.1  Favored 
2434 14 A ALA 55  ?       179.3  -76.2  OUTLIER 
2435 14 A GLU 56  mt-10   59.4   -82.7  OUTLIER 
2436 14 A ASP 57  t70     -168.9 -90.7  OUTLIER 
2437 14 A ASP 58  m-20    -139.6 21.4   Favored 
2438 14 A GLY 59  ?       -67.8  -43.1  Favored 
2439 14 A SER 60  m       -138.9 63.4   Allowed 
2440 14 A ASP 61  t70     -76.2  87.7   Favored 
2441 14 A GLU 62  tt0     -157.6 151.2  Favored 
2442 14 A HIS 63  m80     -80.4  23.6   Allowed 
2443 14 A VAL 64  t       -77.3  83.1   Allowed 
2444 14 A GLU 65  mt-10   -76.4  73.3   Favored 
2445 14 A ARG 66  ptp180  -92.0  137.3  Favored 
2446 14 A GLY 67  ?       136.2  -122.7 Favored 
2447 14 A ILE 68  pt      -112.5 138.8  Favored 
2448 14 A ASP 69  t70     -47.8  -46.9  Favored 
2449 14 A ILE 70  mt      -50.4  -46.1  Favored 
2450 14 A VAL 71  t       -75.2  -47.1  Favored 
2451 14 A LEU 72  mt      -64.2  -36.1  Favored 
2452 14 A ASN 73  t-20    -61.0  -37.1  Favored 
2453 14 A HIS 74  m170    -106.9 -13.3  Favored 
2454 14 A LYS 75  mmtp    55.0   57.5   Favored 
2455 14 A LEU 76  mt      -84.6  146.1  Favored 
2456 14 A VAL 77  p       -92.8  123.7  Favored 
2457 14 A GLU 78  tt0     -70.6  147.4  Favored 
2458 14 A MET 79  mtp     -143.7 122.3  Favored 
2459 14 A ASN 80  p30     -101.0 152.9  Favored 
2460 14 A CYS 81  p       -66.9  -24.0  Favored 
2461 14 A TYR 82  m-85    -72.1  -43.7  Favored 
2462 14 A GLU 83  mt-10   -105.7 -48.2  Favored 
2463 14 A ASP 84  m-20    -88.4  21.0   Favored 
2464 14 A ALA 85  ?       -57.1  -39.4  Favored 
2465 14 A SER 86  t       -74.0  -41.2  Favored 
2466 14 A MET 87  mmt     -61.5  -44.0  Favored 
2467 14 A PHE 88  t80     -58.8  -42.9  Favored 
2468 14 A LYS 89  ttpt    -58.9  -41.5  Favored 
2469 14 A ALA 90  ?       -65.8  -38.4  Favored 
2470 14 A TYR 91  m-85    -59.6  -45.2  Favored 
2471 14 A ILE 92  mm      -59.4  -38.3  Favored 
2472 14 A LYS 93  mptp?   -58.2  -47.7  Favored 
2473 14 A LYS 94  mttp    -65.7  -51.0  Favored 
2474 14 A PHE 95  t80     -50.0  -62.3  Allowed 
2475 14 A MET 96  mtm     -64.6  -34.0  Favored 
2476 14 A LYS 97  tppp?   -60.6  -47.0  Favored 
2477 14 A ASN 98  OUTLIER -77.3  -48.9  Favored 
2478 14 A VAL 99  m       -67.5  -40.9  Favored 
2479 14 A ILE 100 mt      -71.2  -45.7  Favored 
2480 14 A ASP 101 t70     -53.6  -47.7  Favored 
2481 14 A HIS 102 t-80    -65.4  -43.2  Favored 
2482 14 A MET 103 tpt     -68.8  -26.1  Favored 
2483 14 A GLU 104 tm-20   -76.4  -38.0  Favored 
2484 14 A LYS 105 mttm    -67.2  -25.9  Favored 
2485 14 A ASN 106 OUTLIER -86.2  0.7    Favored 
2486 14 A ASN 107 t-20    -130.4 -53.4  Allowed 
2487 14 A ARG 108 ptm180  56.8   23.1   Favored 
2488 14 A ASP 109 t70     -120.5 -89.0  Allowed 
2489 14 A LYS 110 tttp    173.1  -42.2  OUTLIER 
2490 14 A ALA 111 ?       -65.7  -40.1  Favored 
2491 14 A ASP 112 t70     -77.3  -48.5  Favored 
2492 14 A VAL 113 m       -70.4  -24.1  Favored 
2493 14 A ASP 114 t70     -65.4  -37.5  Favored 
2494 14 A ALA 115 ?       -72.6  -49.5  Favored 
2495 14 A PHE 116 t80     -55.2  -47.9  Favored 
2496 14 A LYS 117 tptt    -60.7  -46.6  Favored 
2497 14 A LYS 118 OUTLIER -61.2  -43.9  Favored 
2498 14 A LYS 119 mptp?   -79.3  -36.9  Favored 
2499 14 A ILE 120 tp      -74.0  -38.2  Favored 
2500 14 A GLN 121 tm0?    -72.3  -39.3  Favored 
2501 14 A GLY 122 ?       -61.6  -39.2  Favored 
2502 14 A TRP 123 t90     -65.1  -51.4  Favored 
2503 14 A VAL 124 m       -68.8  -42.1  Favored 
2504 14 A VAL 125 p       -65.1  -29.8  Favored 
2505 14 A SER 126 t       -77.8  -39.2  Favored 
2506 14 A LEU 127 tp      -72.5  -29.4  Favored 
2507 14 A LEU 128 mt      -86.8  0.3    Favored 
2508 14 A ALA 129 ?       -78.3  81.0   Favored 
2509 14 A LYS 130 pttt    -61.6  -6.1   Favored 
2510 14 A ASP 131 t70     -54.4  -42.7  Favored 
2511 14 A ARG 132 tpp180  -109.2 -38.0  Favored 
2512 14 A PHE 133 m-85    -79.3  -1.5   Favored 
2513 14 A LYS 134 ttmt    -50.6  -12.7  Allowed 
2514 14 A ASN 135 m-20    -82.3  22.1   Allowed 
2515 14 A LEU 136 mt      -89.2  136.9  Favored 
2516 14 A ALA 137 ?       -132.5 123.0  Favored 
2517 14 A PHE 138 m-85    -99.4  129.4  Favored 
2518 14 A PHE 139 m-85    -130.3 146.1  Favored 
2519 14 A ILE 140 pt      -132.4 170.3  Favored 
2520 14 A GLY 141 ?       -77.5  138.8  Favored 
2521 14 A GLU 142 mm-40   -59.9  -47.5  Favored 
2522 14 A ARG 143 OUTLIER -55.2  -38.4  Favored 
2523 14 A ALA 144 ?       -69.0  -46.3  Favored 
2524 14 A ALA 145 ?       -81.0  -3.2   Favored 
2525 14 A GLU 146 tt0     -85.9  -41.7  Favored 
2526 14 A GLY 147 ?       -177.6 46.4   OUTLIER 
2527 14 A ALA 148 ?       -157.9 -165.2 Allowed 
2528 14 A GLU 149 mp0     -55.1  122.6  Favored 
2529 14 A ASN 150 t30     -50.4  -31.0  Favored 
2530 14 A GLY 151 ?       123.9  -174.4 Favored 
2531 14 A GLN 152 OUTLIER -121.4 164.8  Favored 
2532 14 A VAL 153 t       -79.2  116.9  Favored 
2533 14 A ALA 154 ?       -74.3  106.2  Favored 
2534 14 A ILE 155 mt      -90.4  106.6  Favored 
2535 14 A ILE 156 mm      -96.0  116.0  Favored 
2536 14 A GLU 157 tt0     -100.5 121.4  Favored 
2537 14 A TYR 158 m-85    -83.4  98.3   Favored 
2538 14 A ARG 159 mtt180  -90.7  131.9  Favored 
2539 14 A ASP 160 t70     -92.8  108.4  Favored 
2540 14 A VAL 161 p       -113.0 111.5  Favored 
2541 14 A ASP 162 m-20    60.3   21.5   Favored 
2542 14 A GLY 163 ?       88.2   31.2   Favored 
2543 14 A THR 164 m       -133.7 121.7  Favored 
2544 14 A GLU 165 OUTLIER -72.9  126.7  Favored 
2545 14 A VAL 166 m       -121.0 107.2  Favored 
2546 14 A PRO 167 Cg_endo -68.2  127.6  Favored 
2547 14 A THR 168 m       -118.1 104.8  Favored 
2548 14 A LEU 169 tp      -78.0  106.2  Favored 
2549 14 A MET 170 mtt     -103.3 122.8  Favored 
2550 14 A LEU 171 mt      -134.0 148.8  Favored 
2551 14 A VAL 172 p       -83.1  143.7  Favored 
2552 14 A LYS 173 tttm    -48.6  -37.6  Favored 
2553 14 A GLU 174 tp10    -83.7  -0.5   Favored 
2554 14 A ALA 175 ?       -104.7 -33.3  Favored 
2555 14 A ILE 176 tp      -97.7  133.5  Favored 
2556 14 A ILE 177 mm      -127.9 131.9  Favored 
2557 14 A GLU 178 pt-20   -95.1  124.8  Favored 
2558 14 A GLU 179 tp10    -108.4 125.5  Favored 
2559 14 A LYS 180 mptt    -71.3  154.2  Favored 
2560 14 A CYS 181 m       -133.3 86.4   Favored 
2561 14 A LEU 182 pt?     -170.1 0.2    OUTLIER 
2562 14 A GLU 183 mm-40   ?      ?      ?       
2563 15 A MET 1   ptp     ?      ?      ?       
2564 15 A LEU 2   mt      -116.2 123.3  Favored 
2565 15 A ILE 3   tt      -96.8  120.0  Favored 
2566 15 A TYR 4   m-85    -102.7 110.8  Favored 
2567 15 A LYS 5   pttt    -131.2 134.9  Favored 
2568 15 A ASP 6   t70     -81.7  131.2  Favored 
2569 15 A ILE 7   pt      -77.9  -11.6  Favored 
2570 15 A PHE 8   m-85    -94.2  -64.7  Allowed 
2571 15 A THR 9   p       -132.1 -37.7  Allowed 
2572 15 A ASP 10  m-20    -98.3  23.6   Favored 
2573 15 A ASP 11  t70     -46.4  -26.3  Allowed 
2574 15 A GLU 12  mp0     -85.9  27.6   Allowed 
2575 15 A LEU 13  tp      -54.6  -73.7  OUTLIER 
2576 15 A SER 14  m       -152.2 131.9  Favored 
2577 15 A SER 15  p       -131.3 91.8   Favored 
2578 15 A ASP 16  t70     -168.3 177.6  Favored 
2579 15 A SER 17  p       -83.4  81.5   Favored 
2580 15 A PHE 18  m-85    -103.2 152.8  Favored 
2581 15 A PRO 19  Cg_exo  -47.0  119.1  Favored 
2582 15 A MET 20  tpt     -112.3 120.9  Favored 
2583 15 A LYS 21  tppt?   -142.4 116.6  Favored 
2584 15 A LEU 22  tp      -123.6 113.9  Favored 
2585 15 A VAL 23  p       -103.2 137.0  Favored 
2586 15 A ASP 24  m-20    56.1   19.0   Favored 
2587 15 A ASP 25  t70     55.6   14.7   Allowed 
2588 15 A LEU 26  tp      -112.7 -51.3  Favored 
2589 15 A VAL 27  t       -116.2 122.1  Favored 
2590 15 A TYR 28  t80     -85.6  113.1  Favored 
2591 15 A GLU 29  pt-20   -104.0 107.6  Favored 
2592 15 A PHE 30  t80     -90.2  112.6  Favored 
2593 15 A LYS 31  tttm    -69.2  143.5  Favored 
2594 15 A GLY 32  ?       -163.2 -174.5 Favored 
2595 15 A LYS 33  ptmt    -134.4 151.6  Favored 
2596 15 A HIS 34  p80     -75.4  125.2  Favored 
2597 15 A VAL 35  m       -150.8 156.0  Favored 
2598 15 A VAL 36  m       -133.3 161.8  Favored 
2599 15 A ARG 37  tpp180  -138.1 110.2  Favored 
2600 15 A LYS 38  mtmp?   -117.3 147.4  Favored 
2601 15 A GLU 39  tp10    -59.4  88.3   OUTLIER 
2602 15 A GLY 40  ?       142.2  -52.4  Allowed 
2603 15 A GLU 41  OUTLIER -151.6 -165.3 Favored 
2604 15 A ILE 42  tt      -142.9 119.2  Favored 
2605 15 A VAL 43  t       -118.4 87.7   Allowed 
2606 15 A LEU 44  pp      -83.7  -21.2  Favored 
2607 15 A ALA 45  ?       -146.3 149.8  Favored 
2608 15 A GLY 46  ?       178.3  40.6   OUTLIER 
2609 15 A SER 47  t       59.0   49.4   Favored 
2610 15 A ASN 48  p-10    -133.8 137.4  Favored 
2611 15 A PRO 49  Cg_endo -81.0  -155.9 OUTLIER 
2612 15 A SER 50  t       -78.5  67.7   Favored 
2613 15 A ALA 51  ?       -81.6  91.8   Favored 
2614 15 A GLU 52  mt-10   -71.1  -57.1  Favored 
2615 15 A GLU 53  mt-10   60.2   23.0   Favored 
2616 15 A GLY 54  ?       -131.1 50.4   Allowed 
2617 15 A ALA 55  ?       -69.7  -22.6  Favored 
2618 15 A GLU 56  mt-10   -128.6 48.9   Favored 
2619 15 A ASP 57  t70     -59.0  105.4  Allowed 
2620 15 A ASP 58  p-10    -114.2 7.6    Favored 
2621 15 A GLY 59  ?       -63.8  114.1  Favored 
2622 15 A SER 60  p       -74.6  83.1   Favored 
2623 15 A ASP 61  m-20    -130.6 131.3  Favored 
2624 15 A GLU 62  mm-40   -96.7  -16.0  Favored 
2625 15 A HIS 63  m80     -139.1 75.6   Allowed 
2626 15 A VAL 64  t       -127.2 85.3   Allowed 
2627 15 A GLU 65  tt0     -93.3  75.5   Favored 
2628 15 A ARG 66  ptt180  -89.0  144.8  Favored 
2629 15 A GLY 67  ?       152.0  -130.5 Favored 
2630 15 A ILE 68  pt      -112.7 150.1  Favored 
2631 15 A ASP 69  t70     -41.2  -41.3  Allowed 
2632 15 A ILE 70  mt      -57.6  -55.3  Favored 
2633 15 A VAL 71  t       -60.6  -44.9  Favored 
2634 15 A LEU 72  mt      -72.3  -35.8  Favored 
2635 15 A ASN 73  t-20    -72.0  -33.9  Favored 
2636 15 A HIS 74  m80     -97.7  -5.7   Favored 
2637 15 A LYS 75  ttmt    55.5   63.1   Favored 
2638 15 A LEU 76  mt      -100.5 135.3  Favored 
2639 15 A VAL 77  p       -88.8  130.3  Favored 
2640 15 A GLU 78  pt-20   -74.0  134.3  Favored 
2641 15 A MET 79  mtp     -145.6 103.8  Favored 
2642 15 A ASN 80  m-20    -86.0  150.0  Favored 
2643 15 A CYS 81  t       -60.7  -20.4  Favored 
2644 15 A TYR 82  m-85    -58.3  -57.7  Favored 
2645 15 A GLU 83  pt-20   -74.2  -35.1  Favored 
2646 15 A ASP 84  t70     -121.4 19.4   Favored 
2647 15 A ALA 85  ?       -45.4  -39.6  Favored 
2648 15 A SER 86  m       -66.0  -60.2  Favored 
2649 15 A MET 87  mtt     -76.8  -14.5  Favored 
2650 15 A PHE 88  t80     -70.1  -38.5  Favored 
2651 15 A LYS 89  tppp?   -70.1  -26.1  Favored 
2652 15 A ALA 90  ?       -70.8  -36.3  Favored 
2653 15 A TYR 91  m-85    -58.5  -44.9  Favored 
2654 15 A ILE 92  mm      -64.2  -38.8  Favored 
2655 15 A LYS 93  tttm    -60.0  -46.9  Favored 
2656 15 A LYS 94  mmmm    -66.5  -44.9  Favored 
2657 15 A PHE 95  t80     -50.4  -59.3  Favored 
2658 15 A MET 96  mtt     -57.3  -57.5  Favored 
2659 15 A LYS 97  tttt    -62.2  -30.7  Favored 
2660 15 A ASN 98  t30     -78.3  -45.1  Favored 
2661 15 A VAL 99  m       -68.3  -28.8  Favored 
2662 15 A ILE 100 mt      -75.0  -45.4  Favored 
2663 15 A ASP 101 t70     -60.6  -31.9  Favored 
2664 15 A HIS 102 t60     -69.8  -61.4  Allowed 
2665 15 A MET 103 ptt?    -64.5  -50.3  Favored 
2666 15 A GLU 104 tt0     -65.8  -20.9  Favored 
2667 15 A LYS 105 ttmt    -72.6  -25.7  Favored 
2668 15 A ASN 106 p-10    -116.6 0.1    Favored 
2669 15 A ASN 107 m120    -120.0 -74.1  Allowed 
2670 15 A ARG 108 ptp180  50.1   18.8   Allowed 
2671 15 A ASP 109 t70     -77.9  -22.6  Favored 
2672 15 A LYS 110 tttt    84.2   -38.8  Allowed 
2673 15 A ALA 111 ?       -71.1  -25.9  Favored 
2674 15 A ASP 112 p30     -86.2  -44.5  Favored 
2675 15 A VAL 113 m       -78.0  -34.1  Favored 
2676 15 A ASP 114 t70     -75.7  -25.3  Favored 
2677 15 A ALA 115 ?       -70.7  -48.0  Favored 
2678 15 A PHE 116 t80     -61.9  -47.7  Favored 
2679 15 A LYS 117 OUTLIER -61.6  -36.2  Favored 
2680 15 A LYS 118 ttpt    -64.7  -46.2  Favored 
2681 15 A LYS 119 mmtp    -66.5  -37.8  Favored 
2682 15 A ILE 120 mm      -73.2  -36.8  Favored 
2683 15 A GLN 121 tm0?    -61.3  -52.5  Favored 
2684 15 A GLY 122 ?       -64.7  -37.4  Favored 
2685 15 A TRP 123 t90     -62.5  -55.3  Favored 
2686 15 A VAL 124 m       -67.2  -41.1  Favored 
2687 15 A VAL 125 t       -60.3  -42.5  Favored 
2688 15 A SER 126 m       -70.2  -31.4  Favored 
2689 15 A LEU 127 tp      -84.0  -21.6  Favored 
2690 15 A LEU 128 mt      -92.9  -0.4   Favored 
2691 15 A ALA 129 ?       -61.8  101.3  Allowed 
2692 15 A LYS 130 ptmm?   -61.8  -12.4  Favored 
2693 15 A ASP 131 t70     -64.7  -46.5  Favored 
2694 15 A ARG 132 tmt_?   -110.1 -40.4  Favored 
2695 15 A PHE 133 m-85    -81.6  -3.5   Favored 
2696 15 A LYS 134 tttm    -46.1  -31.0  Favored 
2697 15 A ASN 135 m-80    -97.6  26.7   Favored 
2698 15 A LEU 136 mt      -88.7  140.6  Favored 
2699 15 A ALA 137 ?       -107.5 112.3  Favored 
2700 15 A PHE 138 m-85    -99.7  140.3  Favored 
2701 15 A PHE 139 m-85    -131.8 150.0  Favored 
2702 15 A ILE 140 tt      -124.1 141.1  Favored 
2703 15 A GLY 141 ?       -57.3  138.6  Favored 
2704 15 A GLU 142 tt0     -43.3  -54.2  Favored 
2705 15 A ARG 143 mtt180  -64.2  -38.4  Favored 
2706 15 A ALA 144 ?       -62.0  -44.2  Favored 
2707 15 A ALA 145 ?       -79.2  -16.3  Favored 
2708 15 A GLU 146 mt-10   -64.3  -31.4  Favored 
2709 15 A GLY 147 ?       146.2  51.9   OUTLIER 
2710 15 A ALA 148 ?       -140.7 -170.2 Favored 
2711 15 A GLU 149 tp10    -51.2  142.8  Favored 
2712 15 A ASN 150 m120    -51.0  -26.5  Favored 
2713 15 A GLY 151 ?       70.7   176.5  Favored 
2714 15 A GLN 152 OUTLIER -83.1  127.2  Favored 
2715 15 A VAL 153 t       -74.6  113.7  Favored 
2716 15 A ALA 154 ?       -64.8  97.1   Allowed 
2717 15 A ILE 155 mt      -88.2  102.7  Favored 
2718 15 A ILE 156 mm      -95.6  114.3  Favored 
2719 15 A GLU 157 tp10    -119.7 130.2  Favored 
2720 15 A TYR 158 p90     -83.1  124.4  Favored 
2721 15 A ARG 159 tmt_?   -116.1 135.7  Favored 
2722 15 A ASP 160 m-20    -98.1  115.4  Favored 
2723 15 A VAL 161 p       -116.6 107.6  Favored 
2724 15 A ASP 162 m-20    64.0   30.6   Favored 
2725 15 A GLY 163 ?       71.9   25.0   Favored 
2726 15 A THR 164 m       -108.3 134.8  Favored 
2727 15 A GLU 165 mt-10   -73.1  111.4  Favored 
2728 15 A VAL 166 m       -128.6 88.1   Favored 
2729 15 A PRO 167 Cg_exo  -55.4  121.4  Favored 
2730 15 A THR 168 t       -115.3 140.1  Favored 
2731 15 A LEU 169 tp      -91.8  114.5  Favored 
2732 15 A MET 170 mtp     -93.8  123.0  Favored 
2733 15 A LEU 171 mt      -132.8 141.3  Favored 
2734 15 A VAL 172 p       -80.9  133.7  Favored 
2735 15 A LYS 173 ttpt    -66.3  -19.6  Favored 
2736 15 A GLU 174 tp10    -78.4  -30.4  Favored 
2737 15 A ALA 175 ?       -104.2 -10.2  Favored 
2738 15 A ILE 176 mm      -126.2 108.3  Favored 
2739 15 A ILE 177 mm      -95.0  113.2  Favored 
2740 15 A GLU 178 pt-20   -73.4  135.8  Favored 
2741 15 A GLU 179 tt0     -149.2 134.7  Favored 
2742 15 A LYS 180 tttp    -81.1  112.4  Favored 
2743 15 A CYS 181 t       -132.8 92.4   Favored 
2744 15 A LEU 182 mt      -98.7  153.0  Favored 
2745 15 A GLU 183 mm-40   ?      ?      ?       
2746 16 A MET 1   ptt?    ?      ?      ?       
2747 16 A LEU 2   mt      -133.2 153.1  Favored 
2748 16 A ILE 3   tt      -114.5 116.7  Favored 
2749 16 A TYR 4   m-85    -101.0 130.9  Favored 
2750 16 A LYS 5   mttm    -119.0 161.7  Favored 
2751 16 A ASP 6   t70     -116.0 178.1  Favored 
2752 16 A ILE 7   mt      -69.0  -39.3  Favored 
2753 16 A PHE 8   m-85    -110.9 -55.2  Favored 
2754 16 A THR 9   m       -90.1  15.7   Favored 
2755 16 A ASP 10  p-10    -63.2  -7.1   Favored 
2756 16 A ASP 11  p30     -48.8  -51.0  Favored 
2757 16 A GLU 12  mm-40   -123.3 -40.5  Favored 
2758 16 A LEU 13  tm?     42.9   -80.0  OUTLIER 
2759 16 A SER 14  p       -155.3 154.5  Favored 
2760 16 A SER 15  m       -163.2 96.3   Allowed 
2761 16 A ASP 16  t70     -179.2 172.8  Allowed 
2762 16 A SER 17  m       -38.8  -55.1  Allowed 
2763 16 A PHE 18  m-30    43.1   108.3  OUTLIER 
2764 16 A PRO 19  Cg_endo -58.9  121.0  Favored 
2765 16 A MET 20  mtm     -101.3 150.4  Favored 
2766 16 A LYS 21  tttp    -156.8 134.3  Favored 
2767 16 A LEU 22  tp      -113.7 122.5  Favored 
2768 16 A VAL 23  p       -112.5 135.2  Favored 
2769 16 A ASP 24  t70     60.5   14.2   Favored 
2770 16 A ASP 25  m-20    48.6   33.8   Favored 
2771 16 A LEU 26  tp      -125.8 -52.5  Allowed 
2772 16 A VAL 27  t       -114.1 128.9  Favored 
2773 16 A TYR 28  t80     -85.9  112.8  Favored 
2774 16 A GLU 29  pt-20   -104.4 145.1  Favored 
2775 16 A PHE 30  t80     -142.9 105.5  Favored 
2776 16 A LYS 31  mttp    -83.7  149.2  Favored 
2777 16 A GLY 32  ?       -135.0 -161.8 Favored 
2778 16 A LYS 33  OUTLIER -129.9 139.8  Favored 
2779 16 A HIS 34  p-80    -73.8  115.8  Favored 
2780 16 A VAL 35  m       -147.4 -175.6 Allowed 
2781 16 A VAL 36  m       -113.2 161.1  Favored 
2782 16 A ARG 37  ttt180  -136.3 112.2  Favored 
2783 16 A LYS 38  tttm    -135.7 96.7   Favored 
2784 16 A GLU 39  tt0     47.7   -81.2  OUTLIER 
2785 16 A GLY 40  ?       -160.2 26.1   Allowed 
2786 16 A GLU 41  tt0     -134.3 98.1   Favored 
2787 16 A ILE 42  pt      -131.4 136.9  Favored 
2788 16 A VAL 43  m       -117.8 49.4   Allowed 
2789 16 A LEU 44  pp      -57.0  143.1  Favored 
2790 16 A ALA 45  ?       -86.0  -10.4  Favored 
2791 16 A GLY 46  ?       55.6   -105.4 Allowed 
2792 16 A SER 47  t       -80.3  95.6   Favored 
2793 16 A ASN 48  t-20    -65.3  112.1  Favored 
2794 16 A PRO 49  Cg_endo -77.3  117.5  Favored 
2795 16 A SER 50  t       58.2   85.2   Allowed 
2796 16 A ALA 51  ?       -82.1  98.3   Favored 
2797 16 A GLU 52  OUTLIER -74.9  -14.2  Favored 
2798 16 A GLU 53  tp10    -136.2 -82.9  Allowed 
2799 16 A GLY 54  ?       64.0   23.3   Favored 
2800 16 A ALA 55  ?       -138.1 37.3   Favored 
2801 16 A GLU 56  OUTLIER -73.9  -19.6  Favored 
2802 16 A ASP 57  m-20    63.7   24.9   Favored 
2803 16 A ASP 58  t70     62.8   90.8   Allowed 
2804 16 A GLY 59  ?       -147.4 14.6   Allowed 
2805 16 A SER 60  m       -150.2 25.9   Allowed 
2806 16 A ASP 61  m-20    -122.5 39.4   Favored 
2807 16 A GLU 62  mt-10   -50.5  -46.5  Favored 
2808 16 A HIS 63  m80     -133.5 23.5   Favored 
2809 16 A VAL 64  t       -106.7 97.9   Favored 
2810 16 A GLU 65  mp0     -78.3  82.1   Favored 
2811 16 A ARG 66  tmm_?   -76.1  146.4  Favored 
2812 16 A GLY 67  ?       152.3  -136.7 Favored 
2813 16 A ILE 68  tt      -104.3 126.2  Favored 
2814 16 A ASP 69  p-10    -53.3  -29.5  Favored 
2815 16 A ILE 70  mt      -61.5  -44.9  Favored 
2816 16 A VAL 71  t       -74.7  -41.8  Favored 
2817 16 A LEU 72  mt      -67.2  -24.1  Favored 
2818 16 A ASN 73  t-20    -62.4  -61.1  Favored 
2819 16 A HIS 74  t-160   -87.0  -20.2  Favored 
2820 16 A LYS 75  ttmt    66.4   69.6   Allowed 
2821 16 A LEU 76  mt      -80.4  136.3  Favored 
2822 16 A VAL 77  p       -84.9  130.3  Favored 
2823 16 A GLU 78  pt-20   -60.5  148.5  Favored 
2824 16 A MET 79  ttp     -148.7 134.4  Favored 
2825 16 A ASN 80  m-80    -119.1 142.7  Favored 
2826 16 A CYS 81  p       -65.6  -11.9  Favored 
2827 16 A TYR 82  m-85    -80.2  -34.6  Favored 
2828 16 A GLU 83  mm-40   -103.1 -37.2  Favored 
2829 16 A ASP 84  m-20    -112.4 20.4   Favored 
2830 16 A ALA 85  ?       -44.8  -43.5  Favored 
2831 16 A SER 86  t       -65.6  -52.0  Favored 
2832 16 A MET 87  mpt?    -68.6  -42.3  Favored 
2833 16 A PHE 88  t80     -63.0  -41.9  Favored 
2834 16 A LYS 89  ttmt    -65.3  -36.6  Favored 
2835 16 A ALA 90  ?       -66.7  -38.8  Favored 
2836 16 A TYR 91  m-85    -65.0  -45.6  Favored 
2837 16 A ILE 92  mm      -58.2  -43.1  Favored 
2838 16 A LYS 93  ttpt    -60.8  -49.1  Favored 
2839 16 A LYS 94  mtpt    -79.5  -38.2  Favored 
2840 16 A PHE 95  t80     -51.0  -53.8  Favored 
2841 16 A MET 96  ttp     -53.8  -55.9  Favored 
2842 16 A LYS 97  tttp    -55.4  -36.7  Favored 
2843 16 A ASN 98  t-20    -83.1  -41.5  Favored 
2844 16 A VAL 99  m       -76.9  -27.7  Favored 
2845 16 A ILE 100 mt      -73.0  -36.7  Favored 
2846 16 A ASP 101 t70     -62.6  -44.9  Favored 
2847 16 A HIS 102 t-80    -63.2  -44.4  Favored 
2848 16 A MET 103 ttt     -66.8  -40.0  Favored 
2849 16 A GLU 104 tp10    -55.3  -40.7  Favored 
2850 16 A LYS 105 OUTLIER -58.4  -37.3  Favored 
2851 16 A ASN 106 m-80    -115.1 0.7    Favored 
2852 16 A ASN 107 m120    -148.7 42.0   Allowed 
2853 16 A ARG 108 OUTLIER -60.7  10.7   OUTLIER 
2854 16 A ASP 109 m-20    -54.7  -24.4  Favored 
2855 16 A LYS 110 tppt?   89.7   -58.0  OUTLIER 
2856 16 A ALA 111 ?       -70.1  -20.9  Favored 
2857 16 A ASP 112 t0      -77.0  -45.9  Favored 
2858 16 A VAL 113 m       -76.0  -26.9  Favored 
2859 16 A ASP 114 t70     -70.4  -36.4  Favored 
2860 16 A ALA 115 ?       -68.0  -41.9  Favored 
2861 16 A PHE 116 t80     -63.1  -42.0  Favored 
2862 16 A LYS 117 ttpt    -63.9  -38.3  Favored 
2863 16 A LYS 118 tptm    -67.2  -41.5  Favored 
2864 16 A LYS 119 mttt    -67.2  -39.8  Favored 
2865 16 A ILE 120 mm      -67.7  -47.0  Favored 
2866 16 A GLN 121 tp60    -51.9  -51.8  Favored 
2867 16 A GLY 122 ?       -67.8  -38.1  Favored 
2868 16 A TRP 123 t90     -65.4  -54.8  Favored 
2869 16 A VAL 124 m       -66.5  -42.0  Favored 
2870 16 A VAL 125 p       -63.5  -36.0  Favored 
2871 16 A SER 126 t       -74.3  -38.0  Favored 
2872 16 A LEU 127 tp      -82.4  -19.0  Favored 
2873 16 A LEU 128 mt      -93.7  2.2    Favored 
2874 16 A ALA 129 ?       -67.3  91.6   Allowed 
2875 16 A LYS 130 pttt    -59.1  -8.3   Allowed 
2876 16 A ASP 131 m-20    -54.3  -46.6  Favored 
2877 16 A ARG 132 ttm180  -109.3 -39.1  Favored 
2878 16 A PHE 133 m-85    -79.2  -1.9   Favored 
2879 16 A LYS 134 ptmm?   -51.9  -24.8  Favored 
2880 16 A ASN 135 m-20    -93.9  29.6   Favored 
2881 16 A LEU 136 mt      -94.0  153.4  Favored 
2882 16 A ALA 137 ?       -121.6 117.4  Favored 
2883 16 A PHE 138 m-85    -94.1  140.8  Favored 
2884 16 A PHE 139 m-85    -136.5 153.8  Favored 
2885 16 A ILE 140 tt      -143.7 149.6  Favored 
2886 16 A GLY 141 ?       -57.1  123.9  Favored 
2887 16 A GLU 142 OUTLIER -55.2  -34.0  Favored 
2888 16 A ARG 143 ttp85   -66.4  -43.1  Favored 
2889 16 A ALA 144 ?       -63.2  -35.6  Favored 
2890 16 A ALA 145 ?       -82.5  -12.4  Favored 
2891 16 A GLU 146 tp10    -95.6  -40.7  Favored 
2892 16 A GLY 147 ?       -165.2 49.6   Allowed 
2893 16 A ALA 148 ?       -158.2 -179.8 Favored 
2894 16 A GLU 149 mt-10   -132.7 155.3  Favored 
2895 16 A ASN 150 m-80    67.6   20.4   Favored 
2896 16 A GLY 151 ?       -55.7  144.7  Favored 
2897 16 A GLN 152 tp60    -69.9  139.6  Favored 
2898 16 A VAL 153 t       -88.5  94.2   Favored 
2899 16 A ALA 154 ?       -67.2  104.2  Allowed 
2900 16 A ILE 155 pt      -95.1  113.7  Favored 
2901 16 A ILE 156 mm      -107.1 133.5  Favored 
2902 16 A GLU 157 mt-10   -94.4  142.3  Favored 
2903 16 A TYR 158 p90     -119.9 87.2   Favored 
2904 16 A ARG 159 ttt180  -95.3  170.2  Favored 
2905 16 A ASP 160 p-10    -98.1  125.0  Favored 
2906 16 A VAL 161 p       -129.9 105.8  Favored 
2907 16 A ASP 162 t70     63.7   5.5    Favored 
2908 16 A GLY 163 ?       121.3  -18.2  Favored 
2909 16 A THR 164 t       -101.1 167.3  Favored 
2910 16 A GLU 165 pm0     -94.7  126.8  Favored 
2911 16 A VAL 166 t       -78.8  107.5  Favored 
2912 16 A PRO 167 Cg_endo -88.0  112.5  Allowed 
2913 16 A THR 168 m       -126.3 118.2  Favored 
2914 16 A LEU 169 tp      -78.9  134.3  Favored 
2915 16 A MET 170 mtt     -124.4 138.4  Favored 
2916 16 A LEU 171 mt      -152.2 150.8  Favored 
2917 16 A VAL 172 p       -78.8  149.1  Favored 
2918 16 A LYS 173 tmtp?   -63.6  -31.6  Favored 
2919 16 A GLU 174 mm-40   -77.0  -3.4   Favored 
2920 16 A ALA 175 ?       -98.7  -25.1  Favored 
2921 16 A ILE 176 mm      -106.5 125.3  Favored 
2922 16 A ILE 177 mm      -110.2 109.4  Favored 
2923 16 A GLU 178 mt-10   -83.6  111.5  Favored 
2924 16 A GLU 179 tp10    -95.1  130.4  Favored 
2925 16 A LYS 180 mttp    -71.9  108.6  Favored 
2926 16 A CYS 181 t       -94.3  89.8   Favored 
2927 16 A LEU 182 mm?     -122.9 -61.2  Allowed 
2928 16 A GLU 183 mt-10   ?      ?      ?       
2929 17 A MET 1   tpp     ?      ?      ?       
2930 17 A LEU 2   mt      -118.5 153.0  Favored 
2931 17 A ILE 3   pt      -132.0 121.1  Favored 
2932 17 A TYR 4   p90     -122.2 135.6  Favored 
2933 17 A LYS 5   mtpt    -137.7 135.1  Favored 
2934 17 A ASP 6   t70     -77.9  144.3  Favored 
2935 17 A ILE 7   pt      -69.2  -26.4  Favored 
2936 17 A PHE 8   m-85    -96.7  -67.8  Allowed 
2937 17 A THR 9   p       -130.4 -22.4  Favored 
2938 17 A ASP 10  m-20    -103.6 23.1   Favored 
2939 17 A ASP 11  t70     -48.3  -15.3  Allowed 
2940 17 A GLU 12  tt0     -76.2  -40.5  Favored 
2941 17 A LEU 13  mt      21.2   -89.2  OUTLIER 
2942 17 A SER 14  m       -152.1 123.0  Favored 
2943 17 A SER 15  m       -113.0 94.7   Favored 
2944 17 A ASP 16  t70     -169.0 166.2  Favored 
2945 17 A SER 17  m       -70.3  78.4   Allowed 
2946 17 A PHE 18  m-85    -104.2 146.7  Favored 
2947 17 A PRO 19  Cg_exo  -71.4  118.9  Favored 
2948 17 A MET 20  ptm     -113.4 145.7  Favored 
2949 17 A LYS 21  OUTLIER -151.5 137.6  Favored 
2950 17 A LEU 22  tp      -99.5  148.5  Favored 
2951 17 A VAL 23  p       -137.1 134.2  Favored 
2952 17 A ASP 24  t70     59.5   16.5   Favored 
2953 17 A ASP 25  m-20    54.6   32.7   Favored 
2954 17 A LEU 26  tp      -132.2 -51.0  Allowed 
2955 17 A VAL 27  t       -119.4 141.9  Favored 
2956 17 A TYR 28  m-85    -89.7  113.2  Favored 
2957 17 A GLU 29  pt-20   -82.9  104.1  Favored 
2958 17 A PHE 30  t80     -88.9  112.7  Favored 
2959 17 A LYS 31  mmmp?   -67.2  148.9  Favored 
2960 17 A GLY 32  ?       -152.9 157.8  Favored 
2961 17 A LYS 33  tppt?   -121.3 140.2  Favored 
2962 17 A HIS 34  t-80    -74.3  116.8  Favored 
2963 17 A VAL 35  m       -131.1 -166.3 Allowed 
2964 17 A VAL 36  m       -125.9 153.9  Favored 
2965 17 A ARG 37  ttp180  -141.5 110.3  Favored 
2966 17 A LYS 38  tptt    -133.9 138.0  Favored 
2967 17 A GLU 39  OUTLIER -63.5  -9.9   Favored 
2968 17 A GLY 40  ?       -106.8 -38.6  Favored 
2969 17 A GLU 41  mm-40   -121.3 138.3  Favored 
2970 17 A ILE 42  tp      -125.2 3.6    Favored 
2971 17 A VAL 43  p       -63.2  114.1  Allowed 
2972 17 A LEU 44  mm?     -66.3  96.5   Allowed 
2973 17 A ALA 45  ?       -54.6  -48.2  Favored 
2974 17 A GLY 46  ?       60.2   35.8   Favored 
2975 17 A SER 47  t       -111.0 169.7  Favored 
2976 17 A ASN 48  m-20    -62.4  148.7  Favored 
2977 17 A PRO 49  Cg_exo  -55.3  103.8  Allowed 
2978 17 A SER 50  p       -79.2  12.8   Favored 
2979 17 A ALA 51  ?       64.3   76.4   Allowed 
2980 17 A GLU 52  OUTLIER -137.3 23.4   Favored 
2981 17 A GLU 53  OUTLIER -85.6  28.4   Allowed 
2982 17 A GLY 54  ?       -70.5  -12.2  Favored 
2983 17 A ALA 55  ?       74.1   -71.4  Allowed 
2984 17 A GLU 56  tt0     -77.7  84.5   Favored 
2985 17 A ASP 57  t0      -155.9 131.5  Favored 
2986 17 A ASP 58  m-20    60.9   28.7   Favored 
2987 17 A GLY 59  ?       77.7   -92.8  Allowed 
2988 17 A SER 60  t       -94.4  -158.2 Allowed 
2989 17 A ASP 61  m-20    -74.4  17.8   Allowed 
2990 17 A GLU 62  tt0     -55.5  -29.5  Favored 
2991 17 A HIS 63  t-80    -82.8  70.8   Favored 
2992 17 A VAL 64  t       -80.8  -67.9  Allowed 
2993 17 A GLU 65  pt-20   68.7   -45.9  Allowed 
2994 17 A ARG 66  mtp180  -134.2 146.3  Favored 
2995 17 A GLY 67  ?       174.2  -171.6 Favored 
2996 17 A ILE 68  tt      -94.8  130.1  Favored 
2997 17 A ASP 69  t70     -48.0  -40.7  Favored 
2998 17 A ILE 70  mt      -55.4  -47.9  Favored 
2999 17 A VAL 71  t       -73.1  -48.6  Favored 
3000 17 A LEU 72  mt      -60.8  -33.9  Favored 
3001 17 A ASN 73  t-20    -79.3  -48.6  Favored 
3002 17 A HIS 74  m-70    -87.2  1.8    Favored 
3003 17 A LYS 75  mmtt    64.4   34.9   Favored 
3004 17 A LEU 76  mt      -75.5  132.7  Favored 
3005 17 A VAL 77  p       -84.6  133.5  Favored 
3006 17 A GLU 78  pt-20   -73.8  140.3  Favored 
3007 17 A MET 79  tpt     -148.1 131.6  Favored 
3008 17 A ASN 80  m-80    -88.0  137.6  Favored 
3009 17 A CYS 81  p       -57.7  -30.8  Favored 
3010 17 A TYR 82  m-85    -59.5  -34.6  Favored 
3011 17 A GLU 83  mt-10   -104.5 -18.6  Favored 
3012 17 A ASP 84  t70     -112.7 15.0   Favored 
3013 17 A ALA 85  ?       -60.9  -54.0  Favored 
3014 17 A SER 86  t       -70.5  -36.5  Favored 
3015 17 A MET 87  mmm     -62.4  -38.4  Favored 
3016 17 A PHE 88  t80     -79.0  -25.4  Favored 
3017 17 A LYS 89  ttpt    -62.9  -41.8  Favored 
3018 17 A ALA 90  ?       -69.8  -41.4  Favored 
3019 17 A TYR 91  m-85    -61.4  -38.0  Favored 
3020 17 A ILE 92  mm      -66.5  -41.7  Favored 
3021 17 A LYS 93  ttmm    -61.9  -38.4  Favored 
3022 17 A LYS 94  tttt    -69.8  -45.2  Favored 
3023 17 A PHE 95  t80     -55.8  -57.3  Favored 
3024 17 A MET 96  ptm     -64.0  -31.6  Favored 
3025 17 A LYS 97  ttmt    -61.5  -58.5  Favored 
3026 17 A ASN 98  m-20    -72.5  -27.4  Favored 
3027 17 A VAL 99  m       -75.2  -38.5  Favored 
3028 17 A ILE 100 mt      -69.3  -38.0  Favored 
3029 17 A ASP 101 m-20    -62.4  -46.4  Favored 
3030 17 A HIS 102 t-80    -53.2  -56.0  Favored 
3031 17 A MET 103 ptt?    -64.6  -45.5  Favored 
3032 17 A GLU 104 tt0     -62.1  -40.0  Favored 
3033 17 A LYS 105 mtpp    -62.8  -27.1  Favored 
3034 17 A ASN 106 p30     -116.3 -6.9   Favored 
3035 17 A ASN 107 OUTLIER -101.8 -64.7  Allowed 
3036 17 A ARG 108 ttt180  74.3   -27.0  Allowed 
3037 17 A ASP 109 m-20    -76.7  125.8  Favored 
3038 17 A LYS 110 mttm    -65.9  -23.3  Favored 
3039 17 A ALA 111 ?       -63.3  -32.2  Favored 
3040 17 A ASP 112 m-20    -94.5  -48.7  Favored 
3041 17 A VAL 113 m       -75.9  -34.1  Favored 
3042 17 A ASP 114 t70     -66.2  -39.0  Favored 
3043 17 A ALA 115 ?       -68.0  -45.5  Favored 
3044 17 A PHE 116 t80     -64.4  -42.0  Favored 
3045 17 A LYS 117 ttpt    -57.8  -38.6  Favored 
3046 17 A LYS 118 ttmm    -68.4  -43.1  Favored 
3047 17 A LYS 119 mmtt    -60.1  -55.9  Favored 
3048 17 A ILE 120 tp      -67.0  -31.2  Favored 
3049 17 A GLN 121 tt0     -55.6  -62.8  Allowed 
3050 17 A GLY 122 ?       -60.8  -27.4  Favored 
3051 17 A TRP 123 t90     -73.9  -45.2  Favored 
3052 17 A VAL 124 m       -77.7  -25.3  Favored 
3053 17 A VAL 125 t       -73.1  -27.6  Favored 
3054 17 A SER 126 t       -76.7  -51.0  Favored 
3055 17 A LEU 127 tp      -75.2  -33.0  Favored 
3056 17 A LEU 128 mt      -79.1  2.9    Favored 
3057 17 A ALA 129 ?       -72.5  143.1  Favored 
3058 17 A LYS 130 pttm    -57.8  -27.4  Favored 
3059 17 A ASP 131 m-20    -58.5  -46.1  Favored 
3060 17 A ARG 132 mpp_?   -67.8  -44.3  Favored 
3061 17 A PHE 133 m-85    -61.5  -25.8  Favored 
3062 17 A LYS 134 mtpp    -64.9  -20.4  Favored 
3063 17 A ASN 135 p-10    -132.6 17.1   Favored 
3064 17 A LEU 136 mt      -93.1  139.4  Favored 
3065 17 A ALA 137 ?       -122.2 123.4  Favored 
3066 17 A PHE 138 m-85    -95.4  128.8  Favored 
3067 17 A PHE 139 m-85    -130.7 151.9  Favored 
3068 17 A ILE 140 pt      -134.0 167.9  Favored 
3069 17 A GLY 141 ?       -60.8  144.7  Favored 
3070 17 A GLU 142 tt0     -52.9  -42.7  Favored 
3071 17 A ARG 143 OUTLIER -60.8  -42.6  Favored 
3072 17 A ALA 144 ?       -56.1  -51.7  Favored 
3073 17 A ALA 145 ?       -73.9  -29.2  Favored 
3074 17 A GLU 146 tp10    -74.3  -41.7  Favored 
3075 17 A GLY 147 ?       -179.2 62.6   OUTLIER 
3076 17 A ALA 148 ?       -157.6 175.6  Favored 
3077 17 A GLU 149 mp0     -71.8  170.6  Favored 
3078 17 A ASN 150 p-10    -86.1  67.2   Favored 
3079 17 A GLY 151 ?       -58.1  -112.0 OUTLIER 
3080 17 A GLN 152 OUTLIER -102.4 156.0  Favored 
3081 17 A VAL 153 t       -103.0 126.5  Favored 
3082 17 A ALA 154 ?       -69.1  103.8  Allowed 
3083 17 A ILE 155 mt      -90.7  110.6  Favored 
3084 17 A ILE 156 mm      -96.9  99.0   Favored 
3085 17 A GLU 157 tp10    -78.4  96.5   Favored 
3086 17 A TYR 158 p90     -107.0 129.1  Favored 
3087 17 A ARG 159 ptm180  -154.2 -177.4 Favored 
3088 17 A ASP 160 p-10    -122.2 137.5  Favored 
3089 17 A VAL 161 p       -111.0 112.0  Favored 
3090 17 A ASP 162 m-20    63.5   17.4   Favored 
3091 17 A GLY 163 ?       109.2  -19.0  Favored 
3092 17 A THR 164 m       -82.3  106.9  Favored 
3093 17 A GLU 165 pt-20   -72.0  101.6  Favored 
3094 17 A VAL 166 m       -105.6 101.2  Favored 
3095 17 A PRO 167 Cg_endo -92.2  118.4  Allowed 
3096 17 A THR 168 m       -114.4 135.5  Favored 
3097 17 A LEU 169 tp      -79.6  146.2  Favored 
3098 17 A MET 170 ptp     -141.1 132.5  Favored 
3099 17 A LEU 171 mt      -139.1 149.8  Favored 
3100 17 A VAL 172 p       -83.1  146.5  Favored 
3101 17 A LYS 173 OUTLIER -52.1  -25.4  Favored 
3102 17 A GLU 174 tp10    -89.2  -27.1  Favored 
3103 17 A ALA 175 ?       -96.4  -6.5   Favored 
3104 17 A ILE 176 tp      -118.1 151.4  Favored 
3105 17 A ILE 177 mm      -124.5 108.0  Favored 
3106 17 A GLU 178 OUTLIER -112.0 140.6  Favored 
3107 17 A GLU 179 mt-10   -144.9 124.8  Favored 
3108 17 A LYS 180 ttpt    -80.7  104.0  Favored 
3109 17 A CYS 181 t       -89.3  90.0   Favored 
3110 17 A LEU 182 pt?     -118.9 175.1  Favored 
3111 17 A GLU 183 mt-10   ?      ?      ?       
3112 18 A MET 1   mtt     ?      ?      ?       
3113 18 A LEU 2   mt      -104.4 137.8  Favored 
3114 18 A ILE 3   pt      -121.4 122.2  Favored 
3115 18 A TYR 4   p90     -124.3 114.9  Favored 
3116 18 A LYS 5   OUTLIER -128.0 169.1  Favored 
3117 18 A ASP 6   t70     -114.7 175.3  Favored 
3118 18 A ILE 7   pp      -89.3  -28.3  Favored 
3119 18 A PHE 8   m-85    -110.6 -59.9  Allowed 
3120 18 A THR 9   t       -84.4  19.8   Allowed 
3121 18 A ASP 10  t70     -45.4  -35.9  Favored 
3122 18 A ASP 11  m-20    -67.1  -9.8   Favored 
3123 18 A GLU 12  tp10    -121.2 16.5   Favored 
3124 18 A LEU 13  mm?     -105.3 -164.5 Allowed 
3125 18 A SER 14  t       -151.6 152.3  Favored 
3126 18 A SER 15  p       -137.2 101.4  Favored 
3127 18 A ASP 16  t70     -157.4 -84.1  Allowed 
3128 18 A SER 17  m       177.7  86.8   OUTLIER 
3129 18 A PHE 18  m-85    -127.1 148.2  Favored 
3130 18 A PRO 19  Cg_exo  -67.9  118.5  Favored 
3131 18 A MET 20  mtm     -114.3 144.7  Favored 
3132 18 A LYS 21  mttm    -131.3 156.6  Favored 
3133 18 A LEU 22  tp      -128.0 139.6  Favored 
3134 18 A VAL 23  p       -134.8 145.6  Favored 
3135 18 A ASP 24  t70     67.7   2.5    Favored 
3136 18 A ASP 25  t70     55.5   29.1   Favored 
3137 18 A LEU 26  tp      -134.4 -51.3  Allowed 
3138 18 A VAL 27  t       -107.2 127.2  Favored 
3139 18 A TYR 28  t80     -83.0  134.1  Favored 
3140 18 A GLU 29  tt0     -130.2 104.7  Favored 
3141 18 A PHE 30  t80     -90.6  124.4  Favored 
3142 18 A LYS 31  ttpt    -80.2  138.6  Favored 
3143 18 A GLY 32  ?       -133.0 151.5  Favored 
3144 18 A LYS 33  mttm    -93.6  150.2  Favored 
3145 18 A HIS 34  t60     -83.2  106.0  Favored 
3146 18 A VAL 35  m       -141.8 162.9  Favored 
3147 18 A VAL 36  m       -127.0 151.3  Favored 
3148 18 A ARG 37  mmt180  -114.6 107.6  Favored 
3149 18 A LYS 38  tmtp?   -123.6 95.0   Favored 
3150 18 A GLU 39  tp10    49.2   -77.3  OUTLIER 
3151 18 A GLY 40  ?       -147.8 45.7   Allowed 
3152 18 A GLU 41  tt0     -152.7 137.2  Favored 
3153 18 A ILE 42  tp      -115.6 91.1   Allowed 
3154 18 A VAL 43  t       -112.6 90.4   Allowed 
3155 18 A LEU 44  mp      -50.6  -39.3  Favored 
3156 18 A ALA 45  ?       58.0   66.5   Allowed 
3157 18 A GLY 46  ?       -71.2  69.0   Allowed 
3158 18 A SER 47  p       -148.4 156.7  Favored 
3159 18 A ASN 48  m-20    -60.1  -52.5  Favored 
3160 18 A PRO 49  Cg_exo  -52.9  101.5  OUTLIER 
3161 18 A SER 50  m       -113.4 104.6  Favored 
3162 18 A ALA 51  ?       -146.5 177.7  Favored 
3163 18 A GLU 52  mt-10   63.2   15.4   Favored 
3164 18 A GLU 53  OUTLIER -84.7  80.2   Favored 
3165 18 A GLY 54  ?       -166.9 84.1   OUTLIER 
3166 18 A ALA 55  ?       -61.7  -58.8  Favored 
3167 18 A GLU 56  OUTLIER -138.1 116.2  Favored 
3168 18 A ASP 57  t70     -173.5 -163.9 Allowed 
3169 18 A ASP 58  t70     -75.7  98.0   Favored 
3170 18 A GLY 59  ?       106.2  50.2   Allowed 
3171 18 A SER 60  m       -67.2  152.9  Favored 
3172 18 A ASP 61  m-20    -137.2 -159.8 Allowed 
3173 18 A GLU 62  mt-10   -62.4  169.5  Favored 
3174 18 A HIS 63  m80     -75.9  61.7   Allowed 
3175 18 A VAL 64  t       -97.4  69.6   Allowed 
3176 18 A GLU 65  mt-10   -86.5  67.9   Favored 
3177 18 A ARG 66  ptm180  -91.9  157.0  Favored 
3178 18 A GLY 67  ?       147.3  -124.5 Allowed 
3179 18 A ILE 68  pt      -112.5 154.7  Favored 
3180 18 A ASP 69  t70     -53.8  -42.0  Favored 
3181 18 A ILE 70  mt      -58.3  -46.0  Favored 
3182 18 A VAL 71  t       -72.6  -49.0  Favored 
3183 18 A LEU 72  mt      -67.9  -33.2  Favored 
3184 18 A ASN 73  m-20    -63.6  -29.6  Favored 
3185 18 A HIS 74  m-70    -115.5 -19.7  Favored 
3186 18 A LYS 75  mtmp?   68.6   59.9   Allowed 
3187 18 A LEU 76  mt      -77.4  125.5  Favored 
3188 18 A VAL 77  p       -81.3  124.8  Favored 
3189 18 A GLU 78  pt-20   -69.1  158.9  Favored 
3190 18 A MET 79  tpt     -147.4 112.2  Favored 
3191 18 A ASN 80  m120    -100.4 128.3  Favored 
3192 18 A CYS 81  t       -61.0  -12.8  Favored 
3193 18 A TYR 82  m-85    -73.9  -38.1  Favored 
3194 18 A GLU 83  tt0     -106.0 -38.1  Favored 
3195 18 A ASP 84  p30     -67.0  -3.1   Favored 
3196 18 A ALA 85  ?       -30.1  -63.8  Allowed 
3197 18 A SER 86  m       -64.3  -42.8  Favored 
3198 18 A MET 87  mmm     -71.7  -50.9  Favored 
3199 18 A PHE 88  t80     -65.7  -40.0  Favored 
3200 18 A LYS 89  mtpp    -64.3  -35.1  Favored 
3201 18 A ALA 90  ?       -64.3  -42.7  Favored 
3202 18 A TYR 91  m-85    -67.9  -34.0  Favored 
3203 18 A ILE 92  mm      -65.2  -38.9  Favored 
3204 18 A LYS 93  OUTLIER -63.5  -41.3  Favored 
3205 18 A LYS 94  mmtt    -62.0  -60.8  Favored 
3206 18 A PHE 95  t80     -43.6  -60.9  Allowed 
3207 18 A MET 96  ttp     -56.5  -60.6  Favored 
3208 18 A LYS 97  tptm    -60.1  -41.6  Favored 
3209 18 A ASN 98  m-20    -72.5  -39.8  Favored 
3210 18 A VAL 99  m       -70.7  -37.3  Favored 
3211 18 A ILE 100 mt      -68.9  -43.2  Favored 
3212 18 A ASP 101 t70     -69.0  -30.2  Favored 
3213 18 A HIS 102 t-80    -62.5  -48.8  Favored 
3214 18 A MET 103 mmt     -78.3  -21.0  Favored 
3215 18 A GLU 104 tt0     -74.3  -30.3  Favored 
3216 18 A LYS 105 ttmm    -75.0  -31.6  Favored 
3217 18 A ASN 106 m-80    -99.1  -29.7  Favored 
3218 18 A ASN 107 m-20    -103.2 -43.7  Favored 
3219 18 A ARG 108 mtt-85  64.7   19.8   Favored 
3220 18 A ASP 109 m-20    -94.8  103.7  Favored 
3221 18 A LYS 110 mmtt    -60.2  -37.9  Favored 
3222 18 A ALA 111 ?       -67.7  -33.3  Favored 
3223 18 A ASP 112 t70     -75.4  -49.8  Favored 
3224 18 A VAL 113 m       -77.9  -23.1  Favored 
3225 18 A ASP 114 t70     -75.2  -35.5  Favored 
3226 18 A ALA 115 ?       -69.6  -39.4  Favored 
3227 18 A PHE 116 t80     -65.6  -38.5  Favored 
3228 18 A LYS 117 tttm    -60.4  -33.9  Favored 
3229 18 A LYS 118 tppt?   -64.9  -49.0  Favored 
3230 18 A LYS 119 mptt    -63.9  -40.1  Favored 
3231 18 A ILE 120 mm      -70.3  -48.3  Favored 
3232 18 A GLN 121 tm0?    -57.2  -46.1  Favored 
3233 18 A GLY 122 ?       -62.3  -46.1  Favored 
3234 18 A TRP 123 t-105   -65.3  -52.1  Favored 
3235 18 A VAL 124 m       -70.8  -37.3  Favored 
3236 18 A VAL 125 p       -63.9  -32.8  Favored 
3237 18 A SER 126 m       -75.0  -41.0  Favored 
3238 18 A LEU 127 tp      -78.9  -19.4  Favored 
3239 18 A LEU 128 mt      -93.6  2.6    Favored 
3240 18 A ALA 129 ?       -74.3  91.2   Favored 
3241 18 A LYS 130 mtmt    -63.2  -6.7   Favored 
3242 18 A ASP 131 m-20    -56.3  -41.7  Favored 
3243 18 A ARG 132 tpt180  -108.7 -48.4  Favored 
3244 18 A PHE 133 m-85    -81.4  -1.1   Favored 
3245 18 A LYS 134 ttmt    -57.2  -16.9  Favored 
3246 18 A ASN 135 m120    -90.0  15.3   Favored 
3247 18 A LEU 136 mt      -88.6  148.7  Favored 
3248 18 A ALA 137 ?       -113.5 111.7  Favored 
3249 18 A PHE 138 m-85    -90.2  142.1  Favored 
3250 18 A PHE 139 m-85    -137.8 155.8  Favored 
3251 18 A ILE 140 OUTLIER -147.4 143.2  Favored 
3252 18 A GLY 141 ?       -60.5  134.9  Favored 
3253 18 A GLU 142 tt0     -55.2  -38.3  Favored 
3254 18 A ARG 143 mmt180  -65.6  -44.4  Favored 
3255 18 A ALA 144 ?       -77.9  -21.4  Favored 
3256 18 A ALA 145 ?       -84.9  0.2    Favored 
3257 18 A GLU 146 tt0     -93.0  -24.0  Favored 
3258 18 A GLY 147 ?       176.5  47.8   OUTLIER 
3259 18 A ALA 148 ?       -148.8 78.3   Allowed 
3260 18 A GLU 149 pt-20   -75.1  -3.4   Favored 
3261 18 A ASN 150 p30     -78.2  -18.6  Favored 
3262 18 A GLY 151 ?       -63.9  150.4  Favored 
3263 18 A GLN 152 pt20    -96.2  155.5  Favored 
3264 18 A VAL 153 t       -88.1  129.3  Favored 
3265 18 A ALA 154 ?       -75.2  111.5  Favored 
3266 18 A ILE 155 mt      -93.8  113.0  Favored 
3267 18 A ILE 156 mm      -98.7  123.7  Favored 
3268 18 A GLU 157 tt0     -124.3 128.9  Favored 
3269 18 A TYR 158 p90     -81.2  114.5  Favored 
3270 18 A ARG 159 tpp85   -88.7  141.2  Favored 
3271 18 A ASP 160 p-10    -100.7 124.4  Favored 
3272 18 A VAL 161 p       -125.8 90.7   Allowed 
3273 18 A ASP 162 m-20    62.2   17.5   Favored 
3274 18 A GLY 163 ?       121.2  -14.7  Favored 
3275 18 A THR 164 m       -88.2  138.7  Favored 
3276 18 A GLU 165 OUTLIER -98.2  112.2  Favored 
3277 18 A VAL 166 p       -119.8 104.0  Favored 
3278 18 A PRO 167 Cg_exo  -57.3  130.4  Favored 
3279 18 A THR 168 p       -137.0 131.1  Favored 
3280 18 A LEU 169 tp      -76.4  138.0  Favored 
3281 18 A MET 170 ttm     -124.0 122.2  Favored 
3282 18 A LEU 171 mt      -151.8 167.9  Favored 
3283 18 A VAL 172 p       -88.3  139.9  Favored 
3284 18 A LYS 173 pttt    -69.2  -24.1  Favored 
3285 18 A GLU 174 mp0     -64.9  -23.9  Favored 
3286 18 A ALA 175 ?       -96.8  -10.4  Favored 
3287 18 A ILE 176 mm      -107.0 147.5  Favored 
3288 18 A ILE 177 mm      -102.7 108.2  Favored 
3289 18 A GLU 178 mt-10   -109.5 117.9  Favored 
3290 18 A GLU 179 tp10    -144.7 135.6  Favored 
3291 18 A LYS 180 pttt    -124.4 109.0  Favored 
3292 18 A CYS 181 t       -96.6  91.9   Favored 
3293 18 A LEU 182 mm?     -101.5 -46.9  Favored 
3294 18 A GLU 183 tp10    ?      ?      ?       
3295 19 A MET 1   mtt     ?      ?      ?       
3296 19 A LEU 2   mt      -105.4 161.7  Favored 
3297 19 A ILE 3   mt      -116.0 118.7  Favored 
3298 19 A TYR 4   t80     -104.6 96.3   Favored 
3299 19 A LYS 5   mttm    -122.3 152.2  Favored 
3300 19 A ASP 6   t70     -114.0 143.2  Favored 
3301 19 A ILE 7   pt      -52.8  -20.6  Favored 
3302 19 A PHE 8   m-85    -107.1 -42.5  Favored 
3303 19 A THR 9   p       -104.9 18.4   Favored 
3304 19 A ASP 10  p-10    -60.8  -11.9  Favored 
3305 19 A ASP 11  m-20    -48.3  -58.3  Favored 
3306 19 A GLU 12  mt-10   -122.9 -38.2  Favored 
3307 19 A LEU 13  tp      5.5    -87.9  OUTLIER 
3308 19 A SER 14  m       -156.9 146.0  Favored 
3309 19 A SER 15  p       -148.6 103.6  Favored 
3310 19 A ASP 16  t70     -168.3 176.3  Favored 
3311 19 A SER 17  m       -72.8  75.4   Allowed 
3312 19 A PHE 18  m-85    -87.3  147.3  Favored 
3313 19 A PRO 19  Cg_exo  -48.1  117.7  Favored 
3314 19 A MET 20  ttp     -119.3 114.4  Favored 
3315 19 A LYS 21  OUTLIER -140.3 136.6  Favored 
3316 19 A LEU 22  tp      -113.2 142.5  Favored 
3317 19 A VAL 23  p       -135.2 130.8  Favored 
3318 19 A ASP 24  m-20    61.0   12.7   Favored 
3319 19 A ASP 25  m-20    53.4   12.1   Allowed 
3320 19 A LEU 26  tp      -107.1 -45.6  Favored 
3321 19 A VAL 27  t       -120.3 131.4  Favored 
3322 19 A TYR 28  t80     -98.1  126.7  Favored 
3323 19 A GLU 29  OUTLIER -117.2 154.6  Favored 
3324 19 A PHE 30  t80     -136.4 129.9  Favored 
3325 19 A LYS 31  mmtt    -79.0  153.7  Favored 
3326 19 A GLY 32  ?       -163.4 172.6  Favored 
3327 19 A LYS 33  mtmt    -128.3 154.3  Favored 
3328 19 A HIS 34  p-80    -74.0  130.2  Favored 
3329 19 A VAL 35  m       -139.7 149.1  Favored 
3330 19 A VAL 36  m       -123.3 120.3  Favored 
3331 19 A ARG 37  ttt180  -138.5 117.4  Favored 
3332 19 A LYS 38  tptm    -133.1 118.6  Favored 
3333 19 A GLU 39  mt-10   64.4   24.7   Favored 
3334 19 A GLY 40  ?       106.0  -27.1  Favored 
3335 19 A GLU 41  mt-10   -75.2  123.2  Favored 
3336 19 A ILE 42  tp      -124.9 116.3  Favored 
3337 19 A VAL 43  p       -162.7 92.3   OUTLIER 
3338 19 A LEU 44  OUTLIER -56.9  166.4  Allowed 
3339 19 A ALA 45  ?       -145.2 172.1  Favored 
3340 19 A GLY 46  ?       -75.3  69.4   Allowed 
3341 19 A SER 47  m       -94.7  134.9  Favored 
3342 19 A ASN 48  p-10    -82.9  165.8  Favored 
3343 19 A PRO 49  Cg_exo  -57.7  122.9  Favored 
3344 19 A SER 50  m       -78.5  86.0   Favored 
3345 19 A ALA 51  ?       -124.7 127.2  Favored 
3346 19 A GLU 52  tt0     -94.2  15.7   Favored 
3347 19 A GLU 53  mp0     69.4   -63.9  Allowed 
3348 19 A GLY 54  ?       -125.6 71.3   Allowed 
3349 19 A ALA 55  ?       -64.2  96.7   Allowed 
3350 19 A GLU 56  tp10    -56.0  -52.1  Favored 
3351 19 A ASP 57  t70     -87.3  79.8   Favored 
3352 19 A ASP 58  p-10    -79.7  84.5   Favored 
3353 19 A GLY 59  ?       134.2  45.7   Allowed 
3354 19 A SER 60  m       -65.7  113.4  Favored 
3355 19 A ASP 61  m-20    -79.7  20.8   Allowed 
3356 19 A GLU 62  mt-10   -66.7  124.7  Favored 
3357 19 A HIS 63  m-70    -74.5  76.7   Allowed 
3358 19 A VAL 64  t       -137.8 90.0   Allowed 
3359 19 A GLU 65  mt-10   -82.5  62.6   Favored 
3360 19 A ARG 66  mtt180  -108.7 120.5  Favored 
3361 19 A GLY 67  ?       158.3  -136.1 Favored 
3362 19 A ILE 68  pt      -110.4 144.0  Favored 
3363 19 A ASP 69  t70     -54.0  -34.5  Favored 
3364 19 A ILE 70  mt      -56.5  -51.0  Favored 
3365 19 A VAL 71  t       -70.3  -49.3  Favored 
3366 19 A LEU 72  mt      -63.3  -39.9  Favored 
3367 19 A ASN 73  t-20    -68.0  -32.9  Favored 
3368 19 A HIS 74  m80     -103.2 -6.7   Favored 
3369 19 A LYS 75  OUTLIER 54.0   61.5   Favored 
3370 19 A LEU 76  mt      -94.0  132.1  Favored 
3371 19 A VAL 77  p       -79.4  136.9  Favored 
3372 19 A GLU 78  pt-20   -51.7  144.5  Favored 
3373 19 A MET 79  mmm     -147.9 104.2  Favored 
3374 19 A ASN 80  m-20    -93.0  136.6  Favored 
3375 19 A CYS 81  t       -65.6  -14.2  Favored 
3376 19 A TYR 82  m-85    -75.8  -47.6  Favored 
3377 19 A GLU 83  mt-10   -90.2  -33.2  Favored 
3378 19 A ASP 84  m-20    -117.5 22.4   Favored 
3379 19 A ALA 85  ?       -49.8  -56.4  Favored 
3380 19 A SER 86  m       -70.4  -33.7  Favored 
3381 19 A MET 87  tpp     -66.1  -36.9  Favored 
3382 19 A PHE 88  t80     -72.8  -29.2  Favored 
3383 19 A LYS 89  OUTLIER -63.2  -40.9  Favored 
3384 19 A ALA 90  ?       -60.8  -40.8  Favored 
3385 19 A TYR 91  m-85    -60.6  -52.6  Favored 
3386 19 A ILE 92  mm      -58.5  -37.6  Favored 
3387 19 A LYS 93  tppt?   -65.2  -49.3  Favored 
3388 19 A LYS 94  OUTLIER -63.4  -47.1  Favored 
3389 19 A PHE 95  t80     -52.5  -56.6  Favored 
3390 19 A MET 96  ttt     -59.2  -50.8  Favored 
3391 19 A LYS 97  mmtp    -61.7  -36.0  Favored 
3392 19 A ASN 98  t30     -68.1  -52.9  Favored 
3393 19 A VAL 99  m       -71.9  -31.9  Favored 
3394 19 A ILE 100 mt      -74.2  -43.1  Favored 
3395 19 A ASP 101 t70     -60.9  -38.8  Favored 
3396 19 A HIS 102 t60     -63.2  -50.9  Favored 
3397 19 A MET 103 ttt     -63.5  -43.1  Favored 
3398 19 A GLU 104 tt0     -74.2  -23.0  Favored 
3399 19 A LYS 105 ttmt    -70.5  -20.5  Favored 
3400 19 A ASN 106 m120    -112.8 1.2    Favored 
3401 19 A ASN 107 t-20    -131.3 -69.0  Allowed 
3402 19 A ARG 108 OUTLIER 50.9   11.9   Allowed 
3403 19 A ASP 109 m-20    -83.5  -8.8   Favored 
3404 19 A LYS 110 mmtt    80.0   -45.2  Allowed 
3405 19 A ALA 111 ?       -68.4  -32.0  Favored 
3406 19 A ASP 112 m-20    -78.8  -44.8  Favored 
3407 19 A VAL 113 m       -75.1  -23.5  Favored 
3408 19 A ASP 114 t70     -65.6  -47.8  Favored 
3409 19 A ALA 115 ?       -64.7  -42.3  Favored 
3410 19 A PHE 116 t80     -66.5  -45.2  Favored 
3411 19 A LYS 117 tttt    -57.4  -45.9  Favored 
3412 19 A LYS 118 tmtt?   -65.2  -39.5  Favored 
3413 19 A LYS 119 tppt?   -69.1  -49.6  Favored 
3414 19 A ILE 120 tp      -72.4  -37.8  Favored 
3415 19 A GLN 121 tm0?    -66.9  -40.0  Favored 
3416 19 A GLY 122 ?       -63.0  -41.3  Favored 
3417 19 A TRP 123 t-105   -66.0  -47.4  Favored 
3418 19 A VAL 124 m       -69.7  -40.7  Favored 
3419 19 A VAL 125 m       -64.2  -33.2  Favored 
3420 19 A SER 126 t       -72.4  -34.1  Favored 
3421 19 A LEU 127 tp      -81.5  -26.3  Favored 
3422 19 A LEU 128 mt      -88.2  4.5    Favored 
3423 19 A ALA 129 ?       -68.5  85.8   Allowed 
3424 19 A LYS 130 ptpp?   -62.2  -6.8   Favored 
3425 19 A ASP 131 m-20    -58.0  -47.1  Favored 
3426 19 A ARG 132 OUTLIER -112.2 -31.8  Favored 
3427 19 A PHE 133 m-85    -78.7  -1.9   Favored 
3428 19 A LYS 134 OUTLIER -59.9  -10.9  Favored 
3429 19 A ASN 135 m120    -91.5  21.7   Favored 
3430 19 A LEU 136 mt      -89.6  137.7  Favored 
3431 19 A ALA 137 ?       -111.2 145.8  Favored 
3432 19 A PHE 138 m-85    -125.3 141.1  Favored 
3433 19 A PHE 139 m-85    -149.3 148.0  Favored 
3434 19 A ILE 140 OUTLIER -151.0 147.8  Favored 
3435 19 A GLY 141 ?       -63.8  139.0  Favored 
3436 19 A GLU 142 OUTLIER -85.7  -21.2  Favored 
3437 19 A ARG 143 OUTLIER -66.8  -46.4  Favored 
3438 19 A ALA 144 ?       -61.0  -43.6  Favored 
3439 19 A ALA 145 ?       -72.9  -46.4  Favored 
3440 19 A GLU 146 tt0     -65.5  -41.3  Favored 
3441 19 A GLY 147 ?       -63.8  -58.5  Favored 
3442 19 A ALA 148 ?       176.6  93.2   OUTLIER 
3443 19 A GLU 149 OUTLIER -41.4  118.8  Allowed 
3444 19 A ASN 150 m-20    -38.7  -41.4  Allowed 
3445 19 A GLY 151 ?       115.7  -34.8  Favored 
3446 19 A GLN 152 pm0     -98.1  156.6  Favored 
3447 19 A VAL 153 t       -109.2 144.0  Favored 
3448 19 A ALA 154 ?       -63.3  108.8  Allowed 
3449 19 A ILE 155 mt      -86.5  104.4  Favored 
3450 19 A ILE 156 mm      -89.5  100.1  Favored 
3451 19 A GLU 157 tt0     -96.3  95.1   Favored 
3452 19 A TYR 158 p90     -85.6  109.3  Favored 
3453 19 A ARG 159 mtp180  -100.4 -179.5 Favored 
3454 19 A ASP 160 p-10    -124.1 120.6  Favored 
3455 19 A VAL 161 p       -90.1  89.5   Favored 
3456 19 A ASP 162 m-20    60.6   33.8   Favored 
3457 19 A GLY 163 ?       111.5  -23.8  Favored 
3458 19 A THR 164 m       -86.0  125.2  Favored 
3459 19 A GLU 165 tt0     -72.1  122.0  Favored 
3460 19 A VAL 166 p       -117.5 90.2   Favored 
3461 19 A PRO 167 Cg_exo  -50.2  125.9  Favored 
3462 19 A THR 168 m       -123.8 115.1  Favored 
3463 19 A LEU 169 tp      -76.5  130.7  Favored 
3464 19 A MET 170 ttp     -128.1 123.0  Favored 
3465 19 A LEU 171 mt      -139.1 157.6  Favored 
3466 19 A VAL 172 p       -78.2  132.0  Favored 
3467 19 A LYS 173 tmtm?   -52.2  -28.8  Favored 
3468 19 A GLU 174 tp10    -67.2  -35.0  Favored 
3469 19 A ALA 175 ?       -106.2 -13.4  Favored 
3470 19 A ILE 176 tp      -108.9 161.9  Favored 
3471 19 A ILE 177 mm      -135.8 132.3  Favored 
3472 19 A GLU 178 OUTLIER -121.3 97.0   Favored 
3473 19 A GLU 179 tt0     -99.2  102.1  Favored 
3474 19 A LYS 180 ptpt    -72.2  134.1  Favored 
3475 19 A CYS 181 t       -117.8 96.2   Favored 
3476 19 A LEU 182 mm?     -70.1  153.6  Favored 
3477 19 A GLU 183 tp10    ?      ?      ?       
3478 20 A MET 1   mtp     ?      ?      ?       
3479 20 A LEU 2   mt      -125.5 160.6  Favored 
3480 20 A ILE 3   mt      -116.7 118.9  Favored 
3481 20 A TYR 4   m-85    -97.9  97.2   Favored 
3482 20 A LYS 5   mtpt    -111.4 110.3  Favored 
3483 20 A ASP 6   t70     -83.8  135.9  Favored 
3484 20 A ILE 7   pt      -64.0  -17.9  Favored 
3485 20 A PHE 8   m-85    -114.0 -52.1  Favored 
3486 20 A THR 9   m       -90.0  17.5   Favored 
3487 20 A ASP 10  t70     -46.9  -43.8  Favored 
3488 20 A ASP 11  m-20    -66.2  -19.3  Favored 
3489 20 A GLU 12  mm-40   -120.8 12.5   Favored 
3490 20 A LEU 13  OUTLIER -99.0  -148.3 Allowed 
3491 20 A SER 14  t       -150.1 160.1  Favored 
3492 20 A SER 15  p       -124.4 -160.8 Allowed 
3493 20 A ASP 16  t70     74.1   -162.9 Allowed 
3494 20 A SER 17  m       -97.0  58.0   Allowed 
3495 20 A PHE 18  m-85    -81.9  149.3  Favored 
3496 20 A PRO 19  Cg_exo  -68.0  117.6  Favored 
3497 20 A MET 20  tmm?    -149.0 139.4  Favored 
3498 20 A LYS 21  mmtp    -139.4 158.3  Favored 
3499 20 A LEU 22  tp      -98.1  119.8  Favored 
3500 20 A VAL 23  p       -107.2 136.2  Favored 
3501 20 A ASP 24  t70     65.5   8.3    Favored 
3502 20 A ASP 25  m-20    55.4   30.5   Favored 
3503 20 A LEU 26  tp      -132.9 -44.0  Allowed 
3504 20 A VAL 27  t       -128.1 140.6  Favored 
3505 20 A TYR 28  m-85    -92.5  115.1  Favored 
3506 20 A GLU 29  pt-20   -80.1  127.0  Favored 
3507 20 A PHE 30  t80     -117.1 104.9  Favored 
3508 20 A LYS 31  mmtm    -79.5  143.4  Favored 
3509 20 A GLY 32  ?       -139.8 -168.6 Favored 
3510 20 A LYS 33  mtpt    -119.0 150.8  Favored 
3511 20 A HIS 34  t-80    -80.3  107.7  Favored 
3512 20 A VAL 35  m       -133.0 155.8  Favored 
3513 20 A VAL 36  m       -94.1  141.1  Favored 
3514 20 A ARG 37  OUTLIER -142.1 110.1  Favored 
3515 20 A LYS 38  tptm    -89.2  161.7  Favored 
3516 20 A GLU 39  tt0     -45.9  -38.6  Favored 
3517 20 A GLY 40  ?       -134.4 42.3   Allowed 
3518 20 A GLU 41  tp10    -164.5 142.5  Favored 
3519 20 A ILE 42  tp      -137.8 96.1   Allowed 
3520 20 A VAL 43  p       -156.1 110.8  Allowed 
3521 20 A LEU 44  OUTLIER -60.4  144.2  Favored 
3522 20 A ALA 45  ?       -80.7  103.9  Favored 
3523 20 A GLY 46  ?       -81.0  -36.6  Favored 
3524 20 A SER 47  t       -94.8  155.7  Favored 
3525 20 A ASN 48  t30     64.2   99.0   OUTLIER 
3526 20 A PRO 49  Cg_exo  -66.2  115.7  Favored 
3527 20 A SER 50  p       -98.0  82.9   Favored 
3528 20 A ALA 51  ?       -121.9 25.4   Favored 
3529 20 A GLU 52  mm-40   -113.4 79.2   Allowed 
3530 20 A GLU 53  mp0     -74.0  -30.4  Favored 
3531 20 A GLY 54  ?       -83.7  15.7   Favored 
3532 20 A ALA 55  ?       -68.3  87.8   Allowed 
3533 20 A GLU 56  tp10    -103.4 111.9  Favored 
3534 20 A ASP 57  p-10    -147.4 -174.2 Favored 
3535 20 A ASP 58  t70     -56.2  -39.1  Favored 
3536 20 A GLY 59  ?       96.2   107.5  Favored 
3537 20 A SER 60  m       -67.0  -30.3  Favored 
3538 20 A ASP 61  m-20    -134.1 -163.7 Allowed 
3539 20 A GLU 62  mp0     -79.8  137.3  Favored 
3540 20 A HIS 63  p80     -77.1  84.7   Favored 
3541 20 A VAL 64  t       -99.3  -88.4  Allowed 
3542 20 A GLU 65  tp10    77.0   -51.0  Allowed 
3543 20 A ARG 66  tpp180  -139.2 158.4  Favored 
3544 20 A GLY 67  ?       171.4  -158.1 Favored 
3545 20 A ILE 68  pt      -110.1 147.3  Favored 
3546 20 A ASP 69  t70     -62.7  -26.8  Favored 
3547 20 A ILE 70  mm      -54.0  -48.2  Favored 
3548 20 A VAL 71  t       -80.7  -51.1  Favored 
3549 20 A LEU 72  mt      -64.5  -25.5  Favored 
3550 20 A ASN 73  t-20    -91.2  -43.7  Favored 
3551 20 A HIS 74  m80     -94.9  9.5    Favored 
3552 20 A LYS 75  tppp?   64.0   33.8   Favored 
3553 20 A LEU 76  mt      -78.5  120.7  Favored 
3554 20 A VAL 77  p       -81.2  136.4  Favored 
3555 20 A GLU 78  pt-20   -64.2  145.7  Favored 
3556 20 A MET 79  mtt     -133.1 102.9  Favored 
3557 20 A ASN 80  m-20    -68.5  125.4  Favored 
3558 20 A CYS 81  m       -57.6  -25.2  Favored 
3559 20 A TYR 82  m-85    -70.0  -32.8  Favored 
3560 20 A GLU 83  mm-40   -103.8 -39.7  Favored 
3561 20 A ASP 84  t70     -90.4  -11.9  Favored 
3562 20 A ALA 85  ?       -37.6  -51.9  Allowed 
3563 20 A SER 86  m       -68.9  -45.1  Favored 
3564 20 A MET 87  mtm     -67.1  -28.0  Favored 
3565 20 A PHE 88  t80     -70.8  -40.0  Favored 
3566 20 A LYS 89  mttt    -66.1  -31.1  Favored 
3567 20 A ALA 90  ?       -68.1  -40.7  Favored 
3568 20 A TYR 91  m-85    -60.8  -41.7  Favored 
3569 20 A ILE 92  mm      -61.7  -29.9  Favored 
3570 20 A LYS 93  mmtt    -62.8  -53.4  Favored 
3571 20 A LYS 94  mmtt    -67.1  -47.3  Favored 
3572 20 A PHE 95  t80     -45.7  -62.7  Allowed 
3573 20 A MET 96  ttp     -57.2  -48.0  Favored 
3574 20 A LYS 97  mmtt    -68.4  -35.7  Favored 
3575 20 A ASN 98  OUTLIER -69.8  -47.3  Favored 
3576 20 A VAL 99  m       -71.5  -33.1  Favored 
3577 20 A ILE 100 mt      -74.3  -39.9  Favored 
3578 20 A ASP 101 t70     -55.1  -46.6  Favored 
3579 20 A HIS 102 t-80    -64.5  -44.0  Favored 
3580 20 A MET 103 OUTLIER -62.8  -50.1  Favored 
3581 20 A GLU 104 OUTLIER -70.0  -32.7  Favored 
3582 20 A LYS 105 ttpp    -58.5  -21.7  Favored 
3583 20 A ASN 106 m-20    -106.5 -26.1  Favored 
3584 20 A ASN 107 m120    -146.5 35.1   Allowed 
3585 20 A ARG 108 ttp180  -69.8  7.5    Allowed 
3586 20 A ASP 109 t70     -56.3  -21.9  Favored 
3587 20 A LYS 110 mttt    83.3   -8.8   Allowed 
3588 20 A ALA 111 ?       -66.7  -39.3  Favored 
3589 20 A ASP 112 t0      -95.4  -44.5  Favored 
3590 20 A VAL 113 m       -76.4  -31.7  Favored 
3591 20 A ASP 114 t70     -62.3  -40.1  Favored 
3592 20 A ALA 115 ?       -61.8  -51.6  Favored 
3593 20 A PHE 116 t80     -57.0  -47.1  Favored 
3594 20 A LYS 117 tmmm?   -63.8  -43.9  Favored 
3595 20 A LYS 118 tptp    -59.7  -45.7  Favored 
3596 20 A LYS 119 mtmt    -72.2  -39.3  Favored 
3597 20 A ILE 120 tp      -73.5  -38.8  Favored 
3598 20 A GLN 121 tp60    -66.9  -44.0  Favored 
3599 20 A GLY 122 ?       -61.5  -38.2  Favored 
3600 20 A TRP 123 t90     -66.4  -52.7  Favored 
3601 20 A VAL 124 m       -69.7  -36.9  Favored 
3602 20 A VAL 125 p       -66.6  -34.0  Favored 
3603 20 A SER 126 p       -80.5  -34.1  Favored 
3604 20 A LEU 127 tp      -69.5  -27.7  Favored 
3605 20 A LEU 128 mt      -94.5  3.5    Favored 
3606 20 A ALA 129 ?       -77.0  95.0   Favored 
3607 20 A LYS 130 ttpp    -58.3  -19.2  Favored 
3608 20 A ASP 131 m-20    -52.1  -45.9  Favored 
3609 20 A ARG 132 ttp180  -108.6 -37.6  Favored 
3610 20 A PHE 133 m-85    -77.4  -1.8   Favored 
3611 20 A LYS 134 tttm    -58.0  -15.1  Favored 
3612 20 A ASN 135 m120    -100.2 26.1   Favored 
3613 20 A LEU 136 mt      -89.1  155.2  Favored 
3614 20 A ALA 137 ?       -130.0 113.7  Favored 
3615 20 A PHE 138 m-85    -86.2  146.8  Favored 
3616 20 A PHE 139 m-85    -143.5 162.5  Favored 
3617 20 A ILE 140 tt      -150.7 154.1  Favored 
3618 20 A GLY 141 ?       -57.1  134.6  Favored 
3619 20 A GLU 142 tt0     -61.6  -44.5  Favored 
3620 20 A ARG 143 tpm_?   -57.2  -41.5  Favored 
3621 20 A ALA 144 ?       -65.4  -35.1  Favored 
3622 20 A ALA 145 ?       -88.8  4.0    Favored 
3623 20 A GLU 146 mt-10   -110.3 -42.1  Favored 
3624 20 A GLY 147 ?       -167.9 67.9   Allowed 
3625 20 A ALA 148 ?       -155.2 -92.4  OUTLIER 
3626 20 A GLU 149 mt-10   -155.2 152.1  Favored 
3627 20 A ASN 150 m120    -70.9  -36.9  Favored 
3628 20 A GLY 151 ?       35.3   -119.7 Allowed 
3629 20 A GLN 152 tt0     -94.5  128.5  Favored 
3630 20 A VAL 153 t       -79.8  131.7  Favored 
3631 20 A ALA 154 ?       -71.3  100.2  Favored 
3632 20 A ILE 155 mt      -92.1  113.4  Favored 
3633 20 A ILE 156 mm      -101.7 125.1  Favored 
3634 20 A GLU 157 tt0     -119.7 120.3  Favored 
3635 20 A TYR 158 p90     -95.2  102.7  Favored 
3636 20 A ARG 159 tpt180  -87.4  102.5  Favored 
3637 20 A ASP 160 p-10    -65.6  109.1  Favored 
3638 20 A VAL 161 p       -116.8 117.7  Favored 
3639 20 A ASP 162 t70     70.4   -62.1  Allowed 
3640 20 A GLY 163 ?       -171.7 21.0   OUTLIER 
3641 20 A THR 164 m       -136.3 127.8  Favored 
3642 20 A GLU 165 mp0     -81.2  137.7  Favored 
3643 20 A VAL 166 m       -109.4 113.2  Favored 
3644 20 A PRO 167 Cg_exo  -59.5  114.8  Favored 
3645 20 A THR 168 m       -120.7 103.9  Favored 
3646 20 A LEU 169 tp      -77.6  129.8  Favored 
3647 20 A MET 170 mtt     -112.2 122.8  Favored 
3648 20 A LEU 171 mt      -133.7 130.2  Favored 
3649 20 A VAL 172 p       -66.2  133.8  Favored 
3650 20 A LYS 173 OUTLIER -63.3  -4.9   Favored 
3651 20 A GLU 174 mm-40   -95.7  -17.6  Favored 
3652 20 A ALA 175 ?       -108.6 -0.9   Favored 
3653 20 A ILE 176 tp      -126.9 119.8  Favored 
3654 20 A ILE 177 mm      -103.0 110.8  Favored 
3655 20 A GLU 178 OUTLIER -72.5  96.1   Allowed 
3656 20 A GLU 179 tp10    -92.3  98.8   Favored 
3657 20 A LYS 180 mtpt    -88.0  95.3   Favored 
3658 20 A CYS 181 t       -92.8  88.9   Favored 
3659 20 A LEU 182 mt      -104.3 54.4   Allowed 
3660 20 A GLU 183 tm-20   ?      ?      ?       
# 
_pdbx_struct_nmr_ens_clust.entry_id                  2LOY 
_pdbx_struct_nmr_ens_clust.clusters_total_number     4 
_pdbx_struct_nmr_ens_clust.conformers_total_number   20 
_pdbx_struct_nmr_ens_clust.outliers_total_number     2 
# 
loop_
_pdbx_struct_nmr_ens_clust_gen.PDB_model_num 
_pdbx_struct_nmr_ens_clust_gen.cluster_id 
_pdbx_struct_nmr_ens_clust_gen.medoid_conformer 
1  1       N 
2  outlier N 
3  4       N 
4  4       N 
5  1       Y 
6  1       N 
7  1       N 
8  4       Y 
9  1       N 
10 2       N 
11 3       N 
12 outlier N 
13 1       N 
14 2       N 
15 1       N 
16 2       Y 
17 3       Y 
18 1       N 
19 1       N 
20 3       N 
# 
_pdbx_struct_nmr_ens_dom.id                        1 
_pdbx_struct_nmr_ens_dom.medoid_model_number       5 
_pdbx_struct_nmr_ens_dom.distance_rms_dev          1.230 
_pdbx_struct_nmr_ens_dom.distance_rms_dev_medoid   0.953 
_pdbx_struct_nmr_ens_dom.number_of_gaps            1 
_pdbx_struct_nmr_ens_dom.number_of_monomers        162 
_pdbx_struct_nmr_ens_dom.percent_of_core           100.000 
# 
loop_
_pdbx_struct_nmr_ens_dom_lim.dom_id 
_pdbx_struct_nmr_ens_dom_lim.component_id 
_pdbx_struct_nmr_ens_dom_lim.beg_auth_asym_id 
_pdbx_struct_nmr_ens_dom_lim.beg_auth_seq_id 
_pdbx_struct_nmr_ens_dom_lim.beg_auth_comp_id 
_pdbx_struct_nmr_ens_dom_lim.end_auth_asym_id 
_pdbx_struct_nmr_ens_dom_lim.end_auth_seq_id 
_pdbx_struct_nmr_ens_dom_lim.end_auth_comp_id 
1 1 A 1  MET A 42  ILE 
1 2 A 64 VAL A 183 GLU 
# 
loop_
_pdbx_nmr_restraint_list.id 
_pdbx_nmr_restraint_list.type 
1 distance       
1 dihedral_angle 
# 
_pdbx_nmr_restraint_summary.entry_id                            2LOY 
_pdbx_nmr_restraint_summary.distance_restraints_total           1100 
_pdbx_nmr_restraint_summary.intraresidue_total_count            95 
_pdbx_nmr_restraint_summary.sequential_total_count              282 
_pdbx_nmr_restraint_summary.medium_range_total_count            311 
_pdbx_nmr_restraint_summary.long_range_total_count              412 
_pdbx_nmr_restraint_summary.interchain_total_count              0 
_pdbx_nmr_restraint_summary.dihedral_angle_restraints_total     293 
_pdbx_nmr_restraint_summary.hydrogen_bond_restraints_total      252 
_pdbx_nmr_restraint_summary.disulfide_bond_restraints_total     0 
_pdbx_nmr_restraint_summary.unmapped_restraints_total           0 
_pdbx_nmr_restraint_summary.restraints_per_residue              5.8 
_pdbx_nmr_restraint_summary.long_range_restraints_per_residue   2.2 
# 
loop_
_pdbx_nmr_restraint_violation.type 
_pdbx_nmr_restraint_violation.ordinal 
_pdbx_nmr_restraint_violation.limit_bin_max 
_pdbx_nmr_restraint_violation.limit_bin_min 
_pdbx_nmr_restraint_violation.maximum_violation_in_bin 
_pdbx_nmr_restraint_violation.bin_units 
_pdbx_nmr_restraint_violation.violations_per_model 
distance       1 0.2  0.1  0.2   A       6.5  
distance       2 0.5  0.2  0.33  A       1.1  
distance       3 ?    0.5  0.0   A       0.0  
dihedral_angle 1 10.0 1.0  9.7   degrees 21.9 
dihedral_angle 2 20.0 10.0 11.6  degrees 0.1  
dihedral_angle 3 ?    20.0 150.5 degrees 0.9  
# 
loop_
_pdbx_nmr_distance_violation_summary.type 
_pdbx_nmr_distance_violation_summary.subtype 
_pdbx_nmr_distance_violation_summary.restraints_count 
_pdbx_nmr_distance_violation_summary.restraints_percent 
_pdbx_nmr_distance_violation_summary.violations_count 
_pdbx_nmr_distance_violation_summary.violations_percent 
_pdbx_nmr_distance_violation_summary.violations_percent_type 
_pdbx_nmr_distance_violation_summary.consistent_violations_count 
_pdbx_nmr_distance_violation_summary.consistent_violations_percent 
_pdbx_nmr_distance_violation_summary.consistent_violations_percent_type 
intraresidue all                 95   8.6   3  0.3 3.2  0 0.0 0.0 
intraresidue backbone_backbone   0    0.0   0  0.0 0.0  0 0.0 0.0 
intraresidue backbone_sidechain  95   8.6   3  0.3 3.2  0 0.0 0.0 
intraresidue sidechain_sidechain 0    0.0   0  0.0 0.0  0 0.0 0.0 
sequential   all                 282  25.6  20 1.8 7.1  0 0.0 0.0 
sequential   backbone_backbone   144  13.1  10 0.9 6.9  0 0.0 0.0 
sequential   backbone_sidechain  117  10.6  10 0.9 8.5  0 0.0 0.0 
sequential   sidechain_sidechain 21   1.9   0  0.0 0.0  0 0.0 0.0 
medium_range all                 311  28.3  23 2.1 7.4  0 0.0 0.0 
medium_range backbone_backbone   181  16.5  9  0.8 5.0  0 0.0 0.0 
medium_range backbone_sidechain  93   8.5   10 0.9 10.8 0 0.0 0.0 
medium_range sidechain_sidechain 37   3.4   4  0.4 10.8 0 0.0 0.0 
long_range   all                 412  37.5  36 3.3 8.7  0 0.0 0.0 
long_range   backbone_backbone   110  10.0  5  0.5 4.5  0 0.0 0.0 
long_range   backbone_sidechain  152  13.8  18 1.6 11.8 0 0.0 0.0 
long_range   sidechain_sidechain 150  13.6  13 1.2 8.7  0 0.0 0.0 
interchain   all                 0    0.0   0  0.0 0.0  0 0.0 0.0 
interchain   backbone_backbone   0    0.0   0  0.0 0.0  0 0.0 0.0 
interchain   backbone_sidechain  0    0.0   0  0.0 0.0  0 0.0 0.0 
interchain   sidechain_sidechain 0    0.0   0  0.0 0.0  0 0.0 0.0 
all          all                 1100 100.0 82 7.5 7.5  0 0.0 0.0 
all          backbone_backbone   435  39.5  24 2.2 5.5  0 0.0 0.0 
all          backbone_sidechain  457  41.5  41 3.7 9.0  0 0.0 0.0 
all          sidechain_sidechain 208  18.9  17 1.5 8.2  0 0.0 0.0 
# 
loop_
_pdbx_nmr_distance_violation_model.PDB_model_num 
_pdbx_nmr_distance_violation_model.maximum_violation 
_pdbx_nmr_distance_violation_model.average_violation 
_pdbx_nmr_distance_violation_model.median_violation 
_pdbx_nmr_distance_violation_model.standard_deviation 
_pdbx_nmr_distance_violation_model.intraresidue_violations_count 
_pdbx_nmr_distance_violation_model.sequential_violations_count 
_pdbx_nmr_distance_violation_model.medium_range_violations_count 
_pdbx_nmr_distance_violation_model.long_range_violations_count 
_pdbx_nmr_distance_violation_model.interchain_violations_count 
_pdbx_nmr_distance_violation_model.violations_count 
1  0.25 0.17 0.14 0.06 0 1 2 0 0 3  
2  0.25 0.16 0.15 0.04 1 3 5 1 0 10 
3  0.25 0.15 0.14 0.04 1 2 4 3 0 10 
4  0.27 0.15 0.13 0.05 1 4 1 1 0 7  
5  0.12 0.11 0.11 0.0  0 1 1 3 0 5  
6  0.21 0.17 0.16 0.02 0 3 1 1 0 5  
7  0.17 0.13 0.12 0.02 0 2 2 7 0 11 
8  0.17 0.14 0.13 0.02 0 2 2 2 0 6  
9  0.25 0.14 0.13 0.04 1 1 2 7 0 11 
10 0.33 0.18 0.16 0.06 0 1 4 5 0 10 
11 0.27 0.17 0.16 0.05 0 1 2 3 0 6  
12 0.26 0.16 0.13 0.05 1 1 4 1 0 7  
13 0.21 0.15 0.13 0.04 0 2 5 3 0 10 
14 0.32 0.16 0.14 0.06 0 2 5 3 0 10 
15 0.16 0.14 0.13 0.02 0 1 2 1 0 4  
16 0.21 0.14 0.14 0.03 0 1 3 2 0 6  
17 0.25 0.16 0.14 0.05 0 2 1 3 0 6  
18 0.26 0.16 0.15 0.05 0 3 5 2 0 10 
19 0.21 0.15 0.14 0.03 0 1 2 3 0 6  
20 0.31 0.17 0.13 0.07 0 1 5 5 0 11 
# 
loop_
_pdbx_nmr_distance_violation_ensemble.fraction_ensemble_size 
_pdbx_nmr_distance_violation_ensemble.fraction_ensemble_percent 
_pdbx_nmr_distance_violation_ensemble.intraresidue_violations_count 
_pdbx_nmr_distance_violation_ensemble.sequential_violations_count 
_pdbx_nmr_distance_violation_ensemble.medium_range_violations_count 
_pdbx_nmr_distance_violation_ensemble.long_range_violations_count 
_pdbx_nmr_distance_violation_ensemble.interchain_violations_count 
_pdbx_nmr_distance_violation_ensemble.violations_count 
1  5.0   1 14 11 28 0 54 
2  10.0  2 4  6  2  0 14 
3  15.0  0 0  3  3  0 6  
4  20.0  0 0  0  1  0 1  
5  25.0  0 0  0  1  0 1  
6  30.0  0 1  0  1  0 2  
7  35.0  0 1  1  0  0 2  
8  40.0  0 0  1  0  0 1  
9  45.0  0 0  0  0  0 0  
10 50.0  0 0  0  0  0 0  
11 55.0  0 0  1  0  0 1  
12 60.0  0 0  0  0  0 0  
13 65.0  0 0  0  0  0 0  
14 70.0  0 0  0  0  0 0  
15 75.0  0 0  0  0  0 0  
16 80.0  0 0  0  0  0 0  
17 85.0  0 0  0  0  0 0  
18 90.0  0 0  0  0  0 0  
19 95.0  0 0  0  0  0 0  
20 100.0 0 0  0  0  0 0  
# 
loop_
_pdbx_nmr_distance_violation_plural.ordinal 
_pdbx_nmr_distance_violation_plural.list_id 
_pdbx_nmr_distance_violation_plural.restraint_id 
_pdbx_nmr_distance_violation_plural.violation_models_count 
_pdbx_nmr_distance_violation_plural.average_violation 
_pdbx_nmr_distance_violation_plural.median_violation 
_pdbx_nmr_distance_violation_plural.standard_deviation 
_pdbx_nmr_distance_violation_plural.entity_id_1 
_pdbx_nmr_distance_violation_plural.entity_id_2 
_pdbx_nmr_distance_violation_plural.auth_asym_id_1 
_pdbx_nmr_distance_violation_plural.auth_asym_id_2 
_pdbx_nmr_distance_violation_plural.auth_seq_id_1 
_pdbx_nmr_distance_violation_plural.auth_seq_id_2 
_pdbx_nmr_distance_violation_plural.auth_comp_id_1 
_pdbx_nmr_distance_violation_plural.auth_comp_id_2 
_pdbx_nmr_distance_violation_plural.auth_atom_id_1 
_pdbx_nmr_distance_violation_plural.auth_atom_id_2 
_pdbx_nmr_distance_violation_plural.label_asym_id_1 
_pdbx_nmr_distance_violation_plural.label_asym_id_2 
_pdbx_nmr_distance_violation_plural.label_seq_id_1 
_pdbx_nmr_distance_violation_plural.label_seq_id_2 
_pdbx_nmr_distance_violation_plural.PDB_ins_code_1 
_pdbx_nmr_distance_violation_plural.PDB_ins_code_2 
_pdbx_nmr_distance_violation_plural.label_alt_id_1 
_pdbx_nmr_distance_violation_plural.label_alt_id_2 
1  1 455  11 0.24 0.23 0.04 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? 
. . 
2  1 874  8  0.17 0.16 0.06 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? 
. . 
3  1 874  8  0.17 0.16 0.06 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? 
. . 
4  1 874  8  0.17 0.16 0.06 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? 
. . 
5  1 391  7  0.14 0.14 0.02 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? 
. . 
6  1 391  7  0.14 0.14 0.02 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? 
. . 
7  1 391  7  0.14 0.14 0.02 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? 
. . 
8  1 93   7  0.14 0.13 0.02 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? 
. . 
9  1 950  6  0.19 0.17 0.07 1 1 A A 160 166 ASP VAL H    HG11 A A 160 166 ? ? 
. . 
10 1 950  6  0.19 0.17 0.07 1 1 A A 160 166 ASP VAL H    HG12 A A 160 166 ? ? 
. . 
11 1 950  6  0.19 0.17 0.07 1 1 A A 160 166 ASP VAL H    HG13 A A 160 166 ? ? 
. . 
12 1 950  6  0.19 0.17 0.07 1 1 A A 160 166 ASP VAL H    HG21 A A 160 166 ? ? 
. . 
13 1 950  6  0.19 0.17 0.07 1 1 A A 160 166 ASP VAL H    HG22 A A 160 166 ? ? 
. . 
14 1 950  6  0.19 0.17 0.07 1 1 A A 160 166 ASP VAL H    HG23 A A 160 166 ? ? 
. . 
15 1 79   6  0.17 0.15 0.05 1 1 A A 13  14  LEU SER H    H    A A 13  14  ? ? 
. . 
16 1 860  5  0.13 0.13 0.01 1 1 A A 139 153 PHE VAL H    HG21 A A 139 153 ? ? 
. . 
17 1 860  5  0.13 0.13 0.01 1 1 A A 139 153 PHE VAL H    HG22 A A 139 153 ? ? 
. . 
18 1 860  5  0.13 0.13 0.01 1 1 A A 139 153 PHE VAL H    HG23 A A 139 153 ? ? 
. . 
19 1 1009 4  0.13 0.14 0.01 1 1 A A 155 170 ILE MET H    O    A A 155 170 ? ? 
. . 
20 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG11 HD21 A A 36  44  ? ? 
. . 
21 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG11 HD22 A A 36  44  ? ? 
. . 
22 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG11 HD23 A A 36  44  ? ? 
. . 
23 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG12 HD21 A A 36  44  ? ? 
. . 
24 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG12 HD22 A A 36  44  ? ? 
. . 
25 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG12 HD23 A A 36  44  ? ? 
. . 
26 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG13 HD21 A A 36  44  ? ? 
. . 
27 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG13 HD22 A A 36  44  ? ? 
. . 
28 1 751  3  0.2  0.21 0.04 1 1 A A 36  44  VAL LEU HG13 HD23 A A 36  44  ? ? 
. . 
29 1 241  3  0.16 0.17 0.04 1 1 A A 37  66  ARG ARG H    H    A A 37  66  ? ? 
. . 
30 1 862  3  0.13 0.13 0.01 1 1 A A 62  64  GLU VAL H    HG21 A A 62  64  ? ? 
. . 
31 1 862  3  0.13 0.13 0.01 1 1 A A 62  64  GLU VAL H    HG22 A A 62  64  ? ? 
. . 
32 1 862  3  0.13 0.13 0.01 1 1 A A 62  64  GLU VAL H    HG23 A A 62  64  ? ? 
. . 
33 1 500  3  0.12 0.12 0.0  1 1 A A 138 153 PHE VAL HD1  HG21 A A 138 153 ? ? 
. . 
34 1 500  3  0.12 0.12 0.0  1 1 A A 138 153 PHE VAL HD1  HG22 A A 138 153 ? ? 
. . 
35 1 500  3  0.12 0.12 0.0  1 1 A A 138 153 PHE VAL HD1  HG23 A A 138 153 ? ? 
. . 
36 1 500  3  0.12 0.12 0.0  1 1 A A 138 153 PHE VAL HD2  HG21 A A 138 153 ? ? 
. . 
37 1 500  3  0.12 0.12 0.0  1 1 A A 138 153 PHE VAL HD2  HG22 A A 138 153 ? ? 
. . 
38 1 500  3  0.12 0.12 0.0  1 1 A A 138 153 PHE VAL HD2  HG23 A A 138 153 ? ? 
. . 
39 1 540  3  0.12 0.12 0.0  1 1 A A 133 136 PHE LEU HD1  HD21 A A 133 136 ? ? 
. . 
40 1 540  3  0.12 0.12 0.0  1 1 A A 133 136 PHE LEU HD1  HD22 A A 133 136 ? ? 
. . 
41 1 540  3  0.12 0.12 0.0  1 1 A A 133 136 PHE LEU HD1  HD23 A A 133 136 ? ? 
. . 
42 1 540  3  0.12 0.12 0.0  1 1 A A 133 136 PHE LEU HD2  HD21 A A 133 136 ? ? 
. . 
43 1 540  3  0.12 0.12 0.0  1 1 A A 133 136 PHE LEU HD2  HD22 A A 133 136 ? ? 
. . 
44 1 540  3  0.12 0.12 0.0  1 1 A A 133 136 PHE LEU HD2  HD23 A A 133 136 ? ? 
. . 
45 1 663  3  0.11 0.11 0.0  1 1 A A 149 151 GLU GLY H    H    A A 149 151 ? ? 
. . 
46 1 50   2  0.27 0.27 0.01 1 1 A A 80  80  ASN ASN H    HD22 A A 80  80  ? ? 
. . 
47 1 415  2  0.19 0.19 0.02 1 1 A A 131 134 ASP LYS H    H    A A 131 134 ? ? 
. . 
48 1 243  2  0.18 0.18 0.01 1 1 A A 66  72  ARG LEU H    HD21 A A 66  72  ? ? 
. . 
49 1 243  2  0.18 0.18 0.01 1 1 A A 66  72  ARG LEU H    HD22 A A 66  72  ? ? 
. . 
50 1 243  2  0.18 0.18 0.01 1 1 A A 66  72  ARG LEU H    HD23 A A 66  72  ? ? 
. . 
51 1 100  2  0.16 0.16 0.04 1 1 A A 58  59  ASP GLY H    H    A A 58  59  ? ? 
. . 
52 1 942  2  0.15 0.15 0.0  1 1 A A 135 136 ASN LEU HD21 H    A A 135 136 ? ? 
. . 
53 1 942  2  0.15 0.15 0.0  1 1 A A 135 136 ASN LEU HD22 H    A A 135 136 ? ? 
. . 
54 1 160  2  0.14 0.14 0.03 1 1 A A 44  44  LEU LEU H    HD11 A A 44  44  ? ? 
. . 
55 1 160  2  0.14 0.14 0.03 1 1 A A 44  44  LEU LEU H    HD12 A A 44  44  ? ? 
. . 
56 1 160  2  0.14 0.14 0.03 1 1 A A 44  44  LEU LEU H    HD13 A A 44  44  ? ? 
. . 
57 1 517  2  0.13 0.13 0.0  1 1 A A 127 133 LEU PHE HD11 HD1  A A 127 133 ? ? 
. . 
58 1 517  2  0.13 0.13 0.0  1 1 A A 127 133 LEU PHE HD11 HD2  A A 127 133 ? ? 
. . 
59 1 517  2  0.13 0.13 0.0  1 1 A A 127 133 LEU PHE HD12 HD1  A A 127 133 ? ? 
. . 
60 1 517  2  0.13 0.13 0.0  1 1 A A 127 133 LEU PHE HD12 HD2  A A 127 133 ? ? 
. . 
61 1 517  2  0.13 0.13 0.0  1 1 A A 127 133 LEU PHE HD13 HD1  A A 127 133 ? ? 
. . 
62 1 517  2  0.13 0.13 0.0  1 1 A A 127 133 LEU PHE HD13 HD2  A A 127 133 ? ? 
. . 
63 1 341  2  0.12 0.12 0.0  1 1 A A 95  98  PHE ASN HD1  H    A A 95  98  ? ? 
. . 
64 1 341  2  0.12 0.12 0.0  1 1 A A 95  98  PHE ASN HD2  H    A A 95  98  ? ? 
. . 
65 1 609  2  0.12 0.12 0.01 1 1 A A 80  82  ASN TYR H    H    A A 80  82  ? ? 
. . 
66 1 291  2  0.12 0.12 0.01 1 1 A A 182 183 LEU GLU HD21 H    A A 182 183 ? ? 
. . 
67 1 291  2  0.12 0.12 0.01 1 1 A A 182 183 LEU GLU HD22 H    A A 182 183 ? ? 
. . 
68 1 291  2  0.12 0.12 0.01 1 1 A A 182 183 LEU GLU HD23 H    A A 182 183 ? ? 
. . 
69 1 829  2  0.12 0.12 0.0  1 1 A A 124 128 VAL LEU HG11 H    A A 124 128 ? ? 
. . 
70 1 829  2  0.12 0.12 0.0  1 1 A A 124 128 VAL LEU HG12 H    A A 124 128 ? ? 
. . 
71 1 829  2  0.12 0.12 0.0  1 1 A A 124 128 VAL LEU HG13 H    A A 124 128 ? ? 
. . 
72 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG11 HD21 A A 124 128 ? ? 
. . 
73 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG11 HD22 A A 124 128 ? ? 
. . 
74 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG11 HD23 A A 124 128 ? ? 
. . 
75 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG12 HD21 A A 124 128 ? ? 
. . 
76 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG12 HD22 A A 124 128 ? ? 
. . 
77 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG12 HD23 A A 124 128 ? ? 
. . 
78 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG13 HD21 A A 124 128 ? ? 
. . 
79 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG13 HD22 A A 124 128 ? ? 
. . 
80 1 553  2  0.11 0.11 0.0  1 1 A A 124 128 VAL LEU HG13 HD23 A A 124 128 ? ? 
. . 
81 1 265  2  0.11 0.11 0.0  1 1 A A 70  72  ILE LEU H    HD11 A A 70  72  ? ? 
. . 
82 1 265  2  0.11 0.11 0.0  1 1 A A 70  72  ILE LEU H    HD12 A A 70  72  ? ? 
. . 
83 1 265  2  0.11 0.11 0.0  1 1 A A 70  72  ILE LEU H    HD13 A A 70  72  ? ? 
. . 
84 1 648  2  0.11 0.11 0.0  1 1 A A 56  57  GLU ASP H    H    A A 56  57  ? ? 
. . 
# 
loop_
_pdbx_nmr_distance_violation.ordinal 
_pdbx_nmr_distance_violation.list_id 
_pdbx_nmr_distance_violation.restraint_id 
_pdbx_nmr_distance_violation.PDB_model_num 
_pdbx_nmr_distance_violation.violation 
_pdbx_nmr_distance_violation.entity_id_1 
_pdbx_nmr_distance_violation.entity_id_2 
_pdbx_nmr_distance_violation.auth_asym_id_1 
_pdbx_nmr_distance_violation.auth_asym_id_2 
_pdbx_nmr_distance_violation.auth_seq_id_1 
_pdbx_nmr_distance_violation.auth_seq_id_2 
_pdbx_nmr_distance_violation.auth_comp_id_1 
_pdbx_nmr_distance_violation.auth_comp_id_2 
_pdbx_nmr_distance_violation.auth_atom_id_1 
_pdbx_nmr_distance_violation.auth_atom_id_2 
_pdbx_nmr_distance_violation.label_asym_id_1 
_pdbx_nmr_distance_violation.label_asym_id_2 
_pdbx_nmr_distance_violation.label_seq_id_1 
_pdbx_nmr_distance_violation.label_seq_id_2 
_pdbx_nmr_distance_violation.PDB_ins_code_1 
_pdbx_nmr_distance_violation.PDB_ins_code_2 
_pdbx_nmr_distance_violation.label_alt_id_1 
_pdbx_nmr_distance_violation.label_alt_id_2 
1   1 950  10 0.33 1 1 A A 160 166 ASP VAL H    HG11 A A 160 166 ? ? . . 
2   1 950  10 0.33 1 1 A A 160 166 ASP VAL H    HG12 A A 160 166 ? ? . . 
3   1 950  10 0.33 1 1 A A 160 166 ASP VAL H    HG13 A A 160 166 ? ? . . 
4   1 950  10 0.33 1 1 A A 160 166 ASP VAL H    HG21 A A 160 166 ? ? . . 
5   1 950  10 0.33 1 1 A A 160 166 ASP VAL H    HG22 A A 160 166 ? ? . . 
6   1 950  10 0.33 1 1 A A 160 166 ASP VAL H    HG23 A A 160 166 ? ? . . 
7   1 455  14 0.32 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
8   1 874  20 0.31 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
9   1 874  20 0.31 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
10  1 874  20 0.31 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
11  1 50   4  0.27 1 1 A A 80  80  ASN ASN H    HD22 A A 80  80  ? ? . . 
12  1 455  11 0.27 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
13  1 79   18 0.26 1 1 A A 13  14  LEU SER H    H    A A 13  14  ? ? . . 
14  1 50   12 0.26 1 1 A A 80  80  ASN ASN H    HD22 A A 80  80  ? ? . . 
15  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG11 HD21 A A 36  44  ? ? . . 
16  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG11 HD22 A A 36  44  ? ? . . 
17  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG11 HD23 A A 36  44  ? ? . . 
18  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG12 HD21 A A 36  44  ? ? . . 
19  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG12 HD22 A A 36  44  ? ? . . 
20  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG12 HD23 A A 36  44  ? ? . . 
21  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG13 HD21 A A 36  44  ? ? . . 
22  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG13 HD22 A A 36  44  ? ? . . 
23  1 751  9  0.25 1 1 A A 36  44  VAL LEU HG13 HD23 A A 36  44  ? ? . . 
24  1 455  1  0.25 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
25  1 455  2  0.25 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
26  1 455  3  0.25 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
27  1 101  17 0.25 1 1 A A 150 151 ASN GLY H    H    A A 150 151 ? ? . . 
28  1 950  20 0.23 1 1 A A 160 166 ASP VAL H    HG11 A A 160 166 ? ? . . 
29  1 950  20 0.23 1 1 A A 160 166 ASP VAL H    HG12 A A 160 166 ? ? . . 
30  1 950  20 0.23 1 1 A A 160 166 ASP VAL H    HG13 A A 160 166 ? ? . . 
31  1 950  20 0.23 1 1 A A 160 166 ASP VAL H    HG21 A A 160 166 ? ? . . 
32  1 950  20 0.23 1 1 A A 160 166 ASP VAL H    HG22 A A 160 166 ? ? . . 
33  1 950  20 0.23 1 1 A A 160 166 ASP VAL H    HG23 A A 160 166 ? ? . . 
34  1 455  10 0.23 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
35  1 455  20 0.23 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
36  1 322  20 0.23 1 1 A A 28  171 TYR LEU HD1  H    A A 28  171 ? ? . . 
37  1 322  20 0.23 1 1 A A 28  171 TYR LEU HD2  H    A A 28  171 ? ? . . 
38  1 79   10 0.22 1 1 A A 13  14  LEU SER H    H    A A 13  14  ? ? . . 
39  1 455  18 0.22 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
40  1 874  13 0.21 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
41  1 874  13 0.21 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
42  1 874  13 0.21 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
43  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG11 HD21 A A 36  44  ? ? . . 
44  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG11 HD22 A A 36  44  ? ? . . 
45  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG11 HD23 A A 36  44  ? ? . . 
46  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG12 HD21 A A 36  44  ? ? . . 
47  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG12 HD22 A A 36  44  ? ? . . 
48  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG12 HD23 A A 36  44  ? ? . . 
49  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG13 HD21 A A 36  44  ? ? . . 
50  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG13 HD22 A A 36  44  ? ? . . 
51  1 751  19 0.21 1 1 A A 36  44  VAL LEU HG13 HD23 A A 36  44  ? ? . . 
52  1 455  16 0.21 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
53  1 415  3  0.21 1 1 A A 131 134 ASP LYS H    H    A A 131 134 ? ? . . 
54  1 100  6  0.21 1 1 A A 58  59  ASP GLY H    H    A A 58  59  ? ? . . 
55  1 455  12 0.2  1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
56  1 241  13 0.2  1 1 A A 37  66  ARG ARG H    H    A A 37  66  ? ? . . 
57  1 874  2  0.19 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
58  1 874  2  0.19 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
59  1 874  2  0.19 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
60  1 243  11 0.19 1 1 A A 66  72  ARG LEU H    HD21 A A 66  72  ? ? . . 
61  1 243  11 0.19 1 1 A A 66  72  ARG LEU H    HD22 A A 66  72  ? ? . . 
62  1 243  11 0.19 1 1 A A 66  72  ARG LEU H    HD23 A A 66  72  ? ? . . 
63  1 647  13 0.18 1 1 A A 103 105 MET LYS H    H    A A 103 105 ? ? . . 
64  1 463  14 0.18 1 1 A A 16  18  ASP PHE H    H    A A 16  18  ? ? . . 
65  1 243  17 0.18 1 1 A A 66  72  ARG LEU H    HD21 A A 66  72  ? ? . . 
66  1 243  17 0.18 1 1 A A 66  72  ARG LEU H    HD22 A A 66  72  ? ? . . 
67  1 243  17 0.18 1 1 A A 66  72  ARG LEU H    HD23 A A 66  72  ? ? . . 
68  1 191  18 0.18 1 1 A A 64  65  VAL GLU HG11 H    A A 64  65  ? ? . . 
69  1 191  18 0.18 1 1 A A 64  65  VAL GLU HG12 H    A A 64  65  ? ? . . 
70  1 191  18 0.18 1 1 A A 64  65  VAL GLU HG13 H    A A 64  65  ? ? . . 
71  1 950  7  0.17 1 1 A A 160 166 ASP VAL H    HG11 A A 160 166 ? ? . . 
72  1 950  7  0.17 1 1 A A 160 166 ASP VAL H    HG12 A A 160 166 ? ? . . 
73  1 950  7  0.17 1 1 A A 160 166 ASP VAL H    HG13 A A 160 166 ? ? . . 
74  1 950  7  0.17 1 1 A A 160 166 ASP VAL H    HG21 A A 160 166 ? ? . . 
75  1 950  7  0.17 1 1 A A 160 166 ASP VAL H    HG22 A A 160 166 ? ? . . 
76  1 950  7  0.17 1 1 A A 160 166 ASP VAL H    HG23 A A 160 166 ? ? . . 
77  1 950  13 0.17 1 1 A A 160 166 ASP VAL H    HG11 A A 160 166 ? ? . . 
78  1 950  13 0.17 1 1 A A 160 166 ASP VAL H    HG12 A A 160 166 ? ? . . 
79  1 950  13 0.17 1 1 A A 160 166 ASP VAL H    HG13 A A 160 166 ? ? . . 
80  1 950  13 0.17 1 1 A A 160 166 ASP VAL H    HG21 A A 160 166 ? ? . . 
81  1 950  13 0.17 1 1 A A 160 166 ASP VAL H    HG22 A A 160 166 ? ? . . 
82  1 950  13 0.17 1 1 A A 160 166 ASP VAL H    HG23 A A 160 166 ? ? . . 
83  1 93   6  0.17 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? . . 
84  1 919  7  0.17 1 1 A A 18  73  PHE ASN HZ   HD21 A A 18  73  ? ? . . 
85  1 919  7  0.17 1 1 A A 18  73  PHE ASN HZ   HD22 A A 18  73  ? ? . . 
86  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG11 HD11 A A 27  120 ? ? . . 
87  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG11 HD12 A A 27  120 ? ? . . 
88  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG11 HD13 A A 27  120 ? ? . . 
89  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG12 HD11 A A 27  120 ? ? . . 
90  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG12 HD12 A A 27  120 ? ? . . 
91  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG12 HD13 A A 27  120 ? ? . . 
92  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG13 HD11 A A 27  120 ? ? . . 
93  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG13 HD12 A A 27  120 ? ? . . 
94  1 730  11 0.17 1 1 A A 27  120 VAL ILE HG13 HD13 A A 27  120 ? ? . . 
95  1 455  19 0.17 1 1 A A 8   11  PHE ASP H    H    A A 8   11  ? ? . . 
96  1 415  8  0.17 1 1 A A 131 134 ASP LYS H    H    A A 131 134 ? ? . . 
97  1 405  8  0.17 1 1 A A 24  25  ASP ASP H    H    A A 24  25  ? ? . . 
98  1 241  10 0.17 1 1 A A 37  66  ARG ARG H    H    A A 37  66  ? ? . . 
99  1 108  10 0.17 1 1 A A 15  18  SER PHE H    HD1  A A 15  18  ? ? . . 
100 1 108  10 0.17 1 1 A A 15  18  SER PHE H    HD2  A A 15  18  ? ? . . 
101 1 93   15 0.16 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? . . 
102 1 89   3  0.16 1 1 A A 162 163 ASP GLY H    H    A A 162 163 ? ? . . 
103 1 874  6  0.16 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
104 1 874  6  0.16 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
105 1 874  6  0.16 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
106 1 874  18 0.16 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
107 1 874  18 0.16 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
108 1 874  18 0.16 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
109 1 462  14 0.16 1 1 A A 182 183 LEU GLU H    H    A A 182 183 ? ? . . 
110 1 391  2  0.16 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? . . 
111 1 391  2  0.16 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? . . 
112 1 391  2  0.16 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? . . 
113 1 391  18 0.16 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? . . 
114 1 391  18 0.16 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? . . 
115 1 391  18 0.16 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? . . 
116 1 160  2  0.16 1 1 A A 44  44  LEU LEU H    HD11 A A 44  44  ? ? . . 
117 1 160  2  0.16 1 1 A A 44  44  LEU LEU H    HD12 A A 44  44  ? ? . . 
118 1 160  2  0.16 1 1 A A 44  44  LEU LEU H    HD13 A A 44  44  ? ? . . 
119 1 947  14 0.15 1 1 A A 152 176 GLN ILE HE21 HD11 A A 152 176 ? ? . . 
120 1 947  14 0.15 1 1 A A 152 176 GLN ILE HE21 HD12 A A 152 176 ? ? . . 
121 1 947  14 0.15 1 1 A A 152 176 GLN ILE HE21 HD13 A A 152 176 ? ? . . 
122 1 947  14 0.15 1 1 A A 152 176 GLN ILE HE22 HD11 A A 152 176 ? ? . . 
123 1 947  14 0.15 1 1 A A 152 176 GLN ILE HE22 HD12 A A 152 176 ? ? . . 
124 1 947  14 0.15 1 1 A A 152 176 GLN ILE HE22 HD13 A A 152 176 ? ? . . 
125 1 942  12 0.15 1 1 A A 135 136 ASN LEU HD21 H    A A 135 136 ? ? . . 
126 1 942  12 0.15 1 1 A A 135 136 ASN LEU HD22 H    A A 135 136 ? ? . . 
127 1 929  2  0.15 1 1 A A 106 107 ASN ASN HD21 H    A A 106 107 ? ? . . 
128 1 929  2  0.15 1 1 A A 106 107 ASN ASN HD22 H    A A 106 107 ? ? . . 
129 1 865  6  0.15 1 1 A A 7   8   ILE PHE HD11 H    A A 7   8   ? ? . . 
130 1 865  6  0.15 1 1 A A 7   8   ILE PHE HD12 H    A A 7   8   ? ? . . 
131 1 865  6  0.15 1 1 A A 7   8   ILE PHE HD13 H    A A 7   8   ? ? . . 
132 1 862  7  0.15 1 1 A A 62  64  GLU VAL H    HG21 A A 62  64  ? ? . . 
133 1 862  7  0.15 1 1 A A 62  64  GLU VAL H    HG22 A A 62  64  ? ? . . 
134 1 862  7  0.15 1 1 A A 62  64  GLU VAL H    HG23 A A 62  64  ? ? . . 
135 1 79   17 0.15 1 1 A A 13  14  LEU SER H    H    A A 13  14  ? ? . . 
136 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG11 HD21 A A 36  44  ? ? . . 
137 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG11 HD22 A A 36  44  ? ? . . 
138 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG11 HD23 A A 36  44  ? ? . . 
139 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG12 HD21 A A 36  44  ? ? . . 
140 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG12 HD22 A A 36  44  ? ? . . 
141 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG12 HD23 A A 36  44  ? ? . . 
142 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG13 HD21 A A 36  44  ? ? . . 
143 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG13 HD22 A A 36  44  ? ? . . 
144 1 751  3  0.15 1 1 A A 36  44  VAL LEU HG13 HD23 A A 36  44  ? ? . . 
145 1 655  7  0.15 1 1 A A 52  53  GLU GLU H    H    A A 52  53  ? ? . . 
146 1 391  3  0.15 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? . . 
147 1 391  3  0.15 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? . . 
148 1 391  3  0.15 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? . . 
149 1 384  16 0.15 1 1 A A 104 108 GLU ARG H    H    A A 104 108 ? ? . . 
150 1 194  11 0.15 1 1 A A 176 177 ILE ILE HD11 H    A A 176 177 ? ? . . 
151 1 194  11 0.15 1 1 A A 176 177 ILE ILE HD12 H    A A 176 177 ? ? . . 
152 1 194  11 0.15 1 1 A A 176 177 ILE ILE HD13 H    A A 176 177 ? ? . . 
153 1 192  19 0.15 1 1 A A 37  72  ARG LEU H    HD21 A A 37  72  ? ? . . 
154 1 192  19 0.15 1 1 A A 37  72  ARG LEU H    HD22 A A 37  72  ? ? . . 
155 1 192  19 0.15 1 1 A A 37  72  ARG LEU H    HD23 A A 37  72  ? ? . . 
156 1 98   20 0.14 1 1 A A 36  67  VAL GLY HG11 H    A A 36  67  ? ? . . 
157 1 98   20 0.14 1 1 A A 36  67  VAL GLY HG12 H    A A 36  67  ? ? . . 
158 1 98   20 0.14 1 1 A A 36  67  VAL GLY HG13 H    A A 36  67  ? ? . . 
159 1 942  14 0.14 1 1 A A 135 136 ASN LEU HD21 H    A A 135 136 ? ? . . 
160 1 942  14 0.14 1 1 A A 135 136 ASN LEU HD22 H    A A 135 136 ? ? . . 
161 1 93   16 0.14 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? . . 
162 1 901  8  0.14 1 1 A A 156 169 ILE LEU H    HD11 A A 156 169 ? ? . . 
163 1 901  8  0.14 1 1 A A 156 169 ILE LEU H    HD12 A A 156 169 ? ? . . 
164 1 901  8  0.14 1 1 A A 156 169 ILE LEU H    HD13 A A 156 169 ? ? . . 
165 1 90   9  0.14 1 1 A A 161 163 VAL GLY H    H    A A 161 163 ? ? . . 
166 1 860  7  0.14 1 1 A A 139 153 PHE VAL H    HG21 A A 139 153 ? ? . . 
167 1 860  7  0.14 1 1 A A 139 153 PHE VAL H    HG22 A A 139 153 ? ? . . 
168 1 860  7  0.14 1 1 A A 139 153 PHE VAL H    HG23 A A 139 153 ? ? . . 
169 1 820  9  0.14 1 1 A A 76  140 LEU ILE HD21 H    A A 76  140 ? ? . . 
170 1 820  9  0.14 1 1 A A 76  140 LEU ILE HD22 H    A A 76  140 ? ? . . 
171 1 820  9  0.14 1 1 A A 76  140 LEU ILE HD23 H    A A 76  140 ? ? . . 
172 1 808  10 0.14 1 1 A A 121 125 GLN VAL HE22 HG11 A A 121 125 ? ? . . 
173 1 808  10 0.14 1 1 A A 121 125 GLN VAL HE22 HG12 A A 121 125 ? ? . . 
174 1 808  10 0.14 1 1 A A 121 125 GLN VAL HE22 HG13 A A 121 125 ? ? . . 
175 1 79   4  0.14 1 1 A A 13  14  LEU SER H    H    A A 13  14  ? ? . . 
176 1 79   13 0.14 1 1 A A 13  14  LEU SER H    H    A A 13  14  ? ? . . 
177 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG11 HD11 A A 77  140 ? ? . . 
178 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG11 HD12 A A 77  140 ? ? . . 
179 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG11 HD13 A A 77  140 ? ? . . 
180 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG12 HD11 A A 77  140 ? ? . . 
181 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG12 HD12 A A 77  140 ? ? . . 
182 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG12 HD13 A A 77  140 ? ? . . 
183 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG13 HD11 A A 77  140 ? ? . . 
184 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG13 HD12 A A 77  140 ? ? . . 
185 1 766  10 0.14 1 1 A A 77  140 VAL ILE HG13 HD13 A A 77  140 ? ? . . 
186 1 76   2  0.14 1 1 A A 4   14  TYR SER HD1  H    A A 4   14  ? ? . . 
187 1 76   2  0.14 1 1 A A 4   14  TYR SER HD2  H    A A 4   14  ? ? . . 
188 1 650  1  0.14 1 1 A A 38  41  LYS GLU H    H    A A 38  41  ? ? . . 
189 1 391  9  0.14 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? . . 
190 1 391  9  0.14 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? . . 
191 1 391  9  0.14 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? . . 
192 1 288  2  0.14 1 1 A A 2   3   LEU ILE HD11 H    A A 2   3   ? ? . . 
193 1 288  2  0.14 1 1 A A 2   3   LEU ILE HD12 H    A A 2   3   ? ? . . 
194 1 288  2  0.14 1 1 A A 2   3   LEU ILE HD13 H    A A 2   3   ? ? . . 
195 1 174  18 0.14 1 1 A A 22  28  LEU TYR H    HD1  A A 22  28  ? ? . . 
196 1 174  18 0.14 1 1 A A 22  28  LEU TYR H    HD2  A A 22  28  ? ? . . 
197 1 1009 6  0.14 1 1 A A 155 170 ILE MET H    O    A A 155 170 ? ? . . 
198 1 1009 11 0.14 1 1 A A 155 170 ILE MET H    O    A A 155 170 ? ? . . 
199 1 977  3  0.13 1 1 A A 2   16  LEU ASP H    O    A A 2   16  ? ? . . 
200 1 951  10 0.13 1 1 A A 161 166 VAL VAL H    HG11 A A 161 166 ? ? . . 
201 1 951  10 0.13 1 1 A A 161 166 VAL VAL H    HG12 A A 161 166 ? ? . . 
202 1 951  10 0.13 1 1 A A 161 166 VAL VAL H    HG13 A A 161 166 ? ? . . 
203 1 951  10 0.13 1 1 A A 161 166 VAL VAL H    HG21 A A 161 166 ? ? . . 
204 1 951  10 0.13 1 1 A A 161 166 VAL VAL H    HG22 A A 161 166 ? ? . . 
205 1 951  10 0.13 1 1 A A 161 166 VAL VAL H    HG23 A A 161 166 ? ? . . 
206 1 950  14 0.13 1 1 A A 160 166 ASP VAL H    HG11 A A 160 166 ? ? . . 
207 1 950  14 0.13 1 1 A A 160 166 ASP VAL H    HG12 A A 160 166 ? ? . . 
208 1 950  14 0.13 1 1 A A 160 166 ASP VAL H    HG13 A A 160 166 ? ? . . 
209 1 950  14 0.13 1 1 A A 160 166 ASP VAL H    HG21 A A 160 166 ? ? . . 
210 1 950  14 0.13 1 1 A A 160 166 ASP VAL H    HG22 A A 160 166 ? ? . . 
211 1 950  14 0.13 1 1 A A 160 166 ASP VAL H    HG23 A A 160 166 ? ? . . 
212 1 93   2  0.13 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? . . 
213 1 874  14 0.13 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
214 1 874  14 0.13 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
215 1 874  14 0.13 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
216 1 862  14 0.13 1 1 A A 62  64  GLU VAL H    HG21 A A 62  64  ? ? . . 
217 1 862  14 0.13 1 1 A A 62  64  GLU VAL H    HG22 A A 62  64  ? ? . . 
218 1 862  14 0.13 1 1 A A 62  64  GLU VAL H    HG23 A A 62  64  ? ? . . 
219 1 860  15 0.13 1 1 A A 139 153 PHE VAL H    HG21 A A 139 153 ? ? . . 
220 1 860  15 0.13 1 1 A A 139 153 PHE VAL H    HG22 A A 139 153 ? ? . . 
221 1 860  15 0.13 1 1 A A 139 153 PHE VAL H    HG23 A A 139 153 ? ? . . 
222 1 860  16 0.13 1 1 A A 139 153 PHE VAL H    HG21 A A 139 153 ? ? . . 
223 1 860  16 0.13 1 1 A A 139 153 PHE VAL H    HG22 A A 139 153 ? ? . . 
224 1 860  16 0.13 1 1 A A 139 153 PHE VAL H    HG23 A A 139 153 ? ? . . 
225 1 860  19 0.13 1 1 A A 139 153 PHE VAL H    HG21 A A 139 153 ? ? . . 
226 1 860  19 0.13 1 1 A A 139 153 PHE VAL H    HG22 A A 139 153 ? ? . . 
227 1 860  19 0.13 1 1 A A 139 153 PHE VAL H    HG23 A A 139 153 ? ? . . 
228 1 797  15 0.13 1 1 A A 92  96  ILE MET HD11 H    A A 92  96  ? ? . . 
229 1 797  15 0.13 1 1 A A 92  96  ILE MET HD12 H    A A 92  96  ? ? . . 
230 1 797  15 0.13 1 1 A A 92  96  ILE MET HD13 H    A A 92  96  ? ? . . 
231 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD21 HD21 A A 2   182 ? ? . . 
232 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD21 HD22 A A 2   182 ? ? . . 
233 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD21 HD23 A A 2   182 ? ? . . 
234 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD22 HD21 A A 2   182 ? ? . . 
235 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD22 HD22 A A 2   182 ? ? . . 
236 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD22 HD23 A A 2   182 ? ? . . 
237 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD23 HD21 A A 2   182 ? ? . . 
238 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD23 HD22 A A 2   182 ? ? . . 
239 1 756  9  0.13 1 1 A A 2   182 LEU LEU HD23 HD23 A A 2   182 ? ? . . 
240 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD11 HD11 A A 42  44  ? ? . . 
241 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD11 HD12 A A 42  44  ? ? . . 
242 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD11 HD13 A A 42  44  ? ? . . 
243 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD12 HD11 A A 42  44  ? ? . . 
244 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD12 HD12 A A 42  44  ? ? . . 
245 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD12 HD13 A A 42  44  ? ? . . 
246 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD13 HD11 A A 42  44  ? ? . . 
247 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD13 HD12 A A 42  44  ? ? . . 
248 1 743  20 0.13 1 1 A A 42  44  ILE LEU HD13 HD13 A A 42  44  ? ? . . 
249 1 609  2  0.13 1 1 A A 80  82  ASN TYR H    H    A A 80  82  ? ? . . 
250 1 601  9  0.13 1 1 A A 28  171 TYR LEU HD1  HD11 A A 28  171 ? ? . . 
251 1 601  9  0.13 1 1 A A 28  171 TYR LEU HD1  HD12 A A 28  171 ? ? . . 
252 1 601  9  0.13 1 1 A A 28  171 TYR LEU HD1  HD13 A A 28  171 ? ? . . 
253 1 601  9  0.13 1 1 A A 28  171 TYR LEU HD2  HD11 A A 28  171 ? ? . . 
254 1 601  9  0.13 1 1 A A 28  171 TYR LEU HD2  HD12 A A 28  171 ? ? . . 
255 1 601  9  0.13 1 1 A A 28  171 TYR LEU HD2  HD13 A A 28  171 ? ? . . 
256 1 517  3  0.13 1 1 A A 127 133 LEU PHE HD11 HD1  A A 127 133 ? ? . . 
257 1 517  3  0.13 1 1 A A 127 133 LEU PHE HD11 HD2  A A 127 133 ? ? . . 
258 1 517  3  0.13 1 1 A A 127 133 LEU PHE HD12 HD1  A A 127 133 ? ? . . 
259 1 517  3  0.13 1 1 A A 127 133 LEU PHE HD12 HD2  A A 127 133 ? ? . . 
260 1 517  3  0.13 1 1 A A 127 133 LEU PHE HD13 HD1  A A 127 133 ? ? . . 
261 1 517  3  0.13 1 1 A A 127 133 LEU PHE HD13 HD2  A A 127 133 ? ? . . 
262 1 517  4  0.13 1 1 A A 127 133 LEU PHE HD11 HD1  A A 127 133 ? ? . . 
263 1 517  4  0.13 1 1 A A 127 133 LEU PHE HD11 HD2  A A 127 133 ? ? . . 
264 1 517  4  0.13 1 1 A A 127 133 LEU PHE HD12 HD1  A A 127 133 ? ? . . 
265 1 517  4  0.13 1 1 A A 127 133 LEU PHE HD12 HD2  A A 127 133 ? ? . . 
266 1 517  4  0.13 1 1 A A 127 133 LEU PHE HD13 HD1  A A 127 133 ? ? . . 
267 1 517  4  0.13 1 1 A A 127 133 LEU PHE HD13 HD2  A A 127 133 ? ? . . 
268 1 500  20 0.13 1 1 A A 138 153 PHE VAL HD1  HG21 A A 138 153 ? ? . . 
269 1 500  20 0.13 1 1 A A 138 153 PHE VAL HD1  HG22 A A 138 153 ? ? . . 
270 1 500  20 0.13 1 1 A A 138 153 PHE VAL HD1  HG23 A A 138 153 ? ? . . 
271 1 500  20 0.13 1 1 A A 138 153 PHE VAL HD2  HG21 A A 138 153 ? ? . . 
272 1 500  20 0.13 1 1 A A 138 153 PHE VAL HD2  HG22 A A 138 153 ? ? . . 
273 1 500  20 0.13 1 1 A A 138 153 PHE VAL HD2  HG23 A A 138 153 ? ? . . 
274 1 391  12 0.13 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? . . 
275 1 391  12 0.13 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? . . 
276 1 391  12 0.13 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? . . 
277 1 388  12 0.13 1 1 A A 116 174 PHE GLU HD1  H    A A 116 174 ? ? . . 
278 1 388  12 0.13 1 1 A A 116 174 PHE GLU HD2  H    A A 116 174 ? ? . . 
279 1 291  4  0.13 1 1 A A 182 183 LEU GLU HD21 H    A A 182 183 ? ? . . 
280 1 291  4  0.13 1 1 A A 182 183 LEU GLU HD22 H    A A 182 183 ? ? . . 
281 1 291  4  0.13 1 1 A A 182 183 LEU GLU HD23 H    A A 182 183 ? ? . . 
282 1 107  9  0.13 1 1 A A 54  55  GLY ALA H    H    A A 54  55  ? ? . . 
283 1 1009 17 0.13 1 1 A A 155 170 ILE MET H    O    A A 155 170 ? ? . . 
284 1 995  7  0.12 1 1 A A 79  138 MET PHE O    H    A A 79  138 ? ? . . 
285 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD11 HG11 A A 100 113 ? ? . . 
286 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD11 HG12 A A 100 113 ? ? . . 
287 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD11 HG13 A A 100 113 ? ? . . 
288 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD12 HG11 A A 100 113 ? ? . . 
289 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD12 HG12 A A 100 113 ? ? . . 
290 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD12 HG13 A A 100 113 ? ? . . 
291 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD13 HG11 A A 100 113 ? ? . . 
292 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD13 HG12 A A 100 113 ? ? . . 
293 1 963  7  0.12 1 1 A A 100 113 ILE VAL HD13 HG13 A A 100 113 ? ? . . 
294 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG11 HD11 A A 113 100 ? ? . . 
295 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG11 HD12 A A 113 100 ? ? . . 
296 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG11 HD13 A A 113 100 ? ? . . 
297 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG12 HD11 A A 113 100 ? ? . . 
298 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG12 HD12 A A 113 100 ? ? . . 
299 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG12 HD13 A A 113 100 ? ? . . 
300 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG13 HD11 A A 113 100 ? ? . . 
301 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG13 HD12 A A 113 100 ? ? . . 
302 1 960  7  0.12 1 1 A A 113 100 VAL ILE HG13 HD13 A A 113 100 ? ? . . 
303 1 93   8  0.12 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? . . 
304 1 93   18 0.12 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? . . 
305 1 874  15 0.12 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
306 1 874  15 0.12 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
307 1 874  15 0.12 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
308 1 862  4  0.12 1 1 A A 62  64  GLU VAL H    HG21 A A 62  64  ? ? . . 
309 1 862  4  0.12 1 1 A A 62  64  GLU VAL H    HG22 A A 62  64  ? ? . . 
310 1 862  4  0.12 1 1 A A 62  64  GLU VAL H    HG23 A A 62  64  ? ? . . 
311 1 860  8  0.12 1 1 A A 139 153 PHE VAL H    HG21 A A 139 153 ? ? . . 
312 1 860  8  0.12 1 1 A A 139 153 PHE VAL H    HG22 A A 139 153 ? ? . . 
313 1 860  8  0.12 1 1 A A 139 153 PHE VAL H    HG23 A A 139 153 ? ? . . 
314 1 832  20 0.12 1 1 A A 120 174 ILE GLU HD11 H    A A 120 174 ? ? . . 
315 1 832  20 0.12 1 1 A A 120 174 ILE GLU HD12 H    A A 120 174 ? ? . . 
316 1 832  20 0.12 1 1 A A 120 174 ILE GLU HD13 H    A A 120 174 ? ? . . 
317 1 829  12 0.12 1 1 A A 124 128 VAL LEU HG11 H    A A 124 128 ? ? . . 
318 1 829  12 0.12 1 1 A A 124 128 VAL LEU HG12 H    A A 124 128 ? ? . . 
319 1 829  12 0.12 1 1 A A 124 128 VAL LEU HG13 H    A A 124 128 ? ? . . 
320 1 829  13 0.12 1 1 A A 124 128 VAL LEU HG11 H    A A 124 128 ? ? . . 
321 1 829  13 0.12 1 1 A A 124 128 VAL LEU HG12 H    A A 124 128 ? ? . . 
322 1 829  13 0.12 1 1 A A 124 128 VAL LEU HG13 H    A A 124 128 ? ? . . 
323 1 814  9  0.12 1 1 A A 27  173 VAL LYS HG11 H    A A 27  173 ? ? . . 
324 1 814  9  0.12 1 1 A A 27  173 VAL LYS HG12 H    A A 27  173 ? ? . . 
325 1 814  9  0.12 1 1 A A 27  173 VAL LYS HG13 H    A A 27  173 ? ? . . 
326 1 79   20 0.12 1 1 A A 13  14  LEU SER H    H    A A 13  14  ? ? . . 
327 1 648  3  0.12 1 1 A A 56  57  GLU ASP H    H    A A 56  57  ? ? . . 
328 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG11 HD21 A A 124 128 ? ? . . 
329 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG11 HD22 A A 124 128 ? ? . . 
330 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG11 HD23 A A 124 128 ? ? . . 
331 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG12 HD21 A A 124 128 ? ? . . 
332 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG12 HD22 A A 124 128 ? ? . . 
333 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG12 HD23 A A 124 128 ? ? . . 
334 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG13 HD21 A A 124 128 ? ? . . 
335 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG13 HD22 A A 124 128 ? ? . . 
336 1 553  19 0.12 1 1 A A 124 128 VAL LEU HG13 HD23 A A 124 128 ? ? . . 
337 1 540  8  0.12 1 1 A A 133 136 PHE LEU HD1  HD21 A A 133 136 ? ? . . 
338 1 540  8  0.12 1 1 A A 133 136 PHE LEU HD1  HD22 A A 133 136 ? ? . . 
339 1 540  8  0.12 1 1 A A 133 136 PHE LEU HD1  HD23 A A 133 136 ? ? . . 
340 1 540  8  0.12 1 1 A A 133 136 PHE LEU HD2  HD21 A A 133 136 ? ? . . 
341 1 540  8  0.12 1 1 A A 133 136 PHE LEU HD2  HD22 A A 133 136 ? ? . . 
342 1 540  8  0.12 1 1 A A 133 136 PHE LEU HD2  HD23 A A 133 136 ? ? . . 
343 1 540  17 0.12 1 1 A A 133 136 PHE LEU HD1  HD21 A A 133 136 ? ? . . 
344 1 540  17 0.12 1 1 A A 133 136 PHE LEU HD1  HD22 A A 133 136 ? ? . . 
345 1 540  17 0.12 1 1 A A 133 136 PHE LEU HD1  HD23 A A 133 136 ? ? . . 
346 1 540  17 0.12 1 1 A A 133 136 PHE LEU HD2  HD21 A A 133 136 ? ? . . 
347 1 540  17 0.12 1 1 A A 133 136 PHE LEU HD2  HD22 A A 133 136 ? ? . . 
348 1 540  17 0.12 1 1 A A 133 136 PHE LEU HD2  HD23 A A 133 136 ? ? . . 
349 1 500  10 0.12 1 1 A A 138 153 PHE VAL HD1  HG21 A A 138 153 ? ? . . 
350 1 500  10 0.12 1 1 A A 138 153 PHE VAL HD1  HG22 A A 138 153 ? ? . . 
351 1 500  10 0.12 1 1 A A 138 153 PHE VAL HD1  HG23 A A 138 153 ? ? . . 
352 1 500  10 0.12 1 1 A A 138 153 PHE VAL HD2  HG21 A A 138 153 ? ? . . 
353 1 500  10 0.12 1 1 A A 138 153 PHE VAL HD2  HG22 A A 138 153 ? ? . . 
354 1 500  10 0.12 1 1 A A 138 153 PHE VAL HD2  HG23 A A 138 153 ? ? . . 
355 1 500  16 0.12 1 1 A A 138 153 PHE VAL HD1  HG21 A A 138 153 ? ? . . 
356 1 500  16 0.12 1 1 A A 138 153 PHE VAL HD1  HG22 A A 138 153 ? ? . . 
357 1 500  16 0.12 1 1 A A 138 153 PHE VAL HD1  HG23 A A 138 153 ? ? . . 
358 1 500  16 0.12 1 1 A A 138 153 PHE VAL HD2  HG21 A A 138 153 ? ? . . 
359 1 500  16 0.12 1 1 A A 138 153 PHE VAL HD2  HG22 A A 138 153 ? ? . . 
360 1 500  16 0.12 1 1 A A 138 153 PHE VAL HD2  HG23 A A 138 153 ? ? . . 
361 1 449  9  0.12 1 1 A A 4   15  TYR SER HD1  H    A A 4   15  ? ? . . 
362 1 449  9  0.12 1 1 A A 4   15  TYR SER HD2  H    A A 4   15  ? ? . . 
363 1 40   9  0.12 1 1 A A 158 158 TYR TYR H    HD1  A A 158 158 ? ? . . 
364 1 40   9  0.12 1 1 A A 158 158 TYR TYR H    HD2  A A 158 158 ? ? . . 
365 1 391  10 0.12 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? . . 
366 1 391  10 0.12 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? . . 
367 1 391  10 0.12 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? . . 
368 1 341  13 0.12 1 1 A A 95  98  PHE ASN HD1  H    A A 95  98  ? ? . . 
369 1 341  13 0.12 1 1 A A 95  98  PHE ASN HD2  H    A A 95  98  ? ? . . 
370 1 341  18 0.12 1 1 A A 95  98  PHE ASN HD1  H    A A 95  98  ? ? . . 
371 1 341  18 0.12 1 1 A A 95  98  PHE ASN HD2  H    A A 95  98  ? ? . . 
372 1 265  11 0.12 1 1 A A 70  72  ILE LEU H    HD11 A A 70  72  ? ? . . 
373 1 265  11 0.12 1 1 A A 70  72  ILE LEU H    HD12 A A 70  72  ? ? . . 
374 1 265  11 0.12 1 1 A A 70  72  ILE LEU H    HD13 A A 70  72  ? ? . . 
375 1 223  14 0.12 1 1 A A 6   13  ASP LEU H    HD11 A A 6   13  ? ? . . 
376 1 223  14 0.12 1 1 A A 6   13  ASP LEU H    HD12 A A 6   13  ? ? . . 
377 1 223  14 0.12 1 1 A A 6   13  ASP LEU H    HD13 A A 6   13  ? ? . . 
378 1 222  7  0.12 1 1 A A 109 113 ASP VAL H    HG21 A A 109 113 ? ? . . 
379 1 222  7  0.12 1 1 A A 109 113 ASP VAL H    HG22 A A 109 113 ? ? . . 
380 1 222  7  0.12 1 1 A A 109 113 ASP VAL H    HG23 A A 109 113 ? ? . . 
381 1 159  18 0.12 1 1 A A 2   179 LEU GLU HD11 H    A A 2   179 ? ? . . 
382 1 159  18 0.12 1 1 A A 2   179 LEU GLU HD12 H    A A 2   179 ? ? . . 
383 1 159  18 0.12 1 1 A A 2   179 LEU GLU HD13 H    A A 2   179 ? ? . . 
384 1 148  5  0.12 1 1 A A 71  78  VAL GLU HG11 H    A A 71  78  ? ? . . 
385 1 148  5  0.12 1 1 A A 71  78  VAL GLU HG12 H    A A 71  78  ? ? . . 
386 1 148  5  0.12 1 1 A A 71  78  VAL GLU HG13 H    A A 71  78  ? ? . . 
387 1 116  2  0.12 1 1 A A 74  76  HIS LEU H    HD11 A A 74  76  ? ? . . 
388 1 116  2  0.12 1 1 A A 74  76  HIS LEU H    HD12 A A 74  76  ? ? . . 
389 1 116  2  0.12 1 1 A A 74  76  HIS LEU H    HD13 A A 74  76  ? ? . . 
390 1 105  4  0.12 1 1 A A 127 128 LEU LEU HD21 H    A A 127 128 ? ? . . 
391 1 105  4  0.12 1 1 A A 127 128 LEU LEU HD22 H    A A 127 128 ? ? . . 
392 1 105  4  0.12 1 1 A A 127 128 LEU LEU HD23 H    A A 127 128 ? ? . . 
393 1 100  4  0.12 1 1 A A 58  59  ASP GLY H    H    A A 58  59  ? ? . . 
394 1 950  5  0.11 1 1 A A 160 166 ASP VAL H    HG11 A A 160 166 ? ? . . 
395 1 950  5  0.11 1 1 A A 160 166 ASP VAL H    HG12 A A 160 166 ? ? . . 
396 1 950  5  0.11 1 1 A A 160 166 ASP VAL H    HG13 A A 160 166 ? ? . . 
397 1 950  5  0.11 1 1 A A 160 166 ASP VAL H    HG21 A A 160 166 ? ? . . 
398 1 950  5  0.11 1 1 A A 160 166 ASP VAL H    HG22 A A 160 166 ? ? . . 
399 1 950  5  0.11 1 1 A A 160 166 ASP VAL H    HG23 A A 160 166 ? ? . . 
400 1 93   13 0.11 1 1 A A 39  40  GLU GLY H    H    A A 39  40  ? ? . . 
401 1 874  16 0.11 1 1 A A 64  66  VAL ARG HG21 H    A A 64  66  ? ? . . 
402 1 874  16 0.11 1 1 A A 64  66  VAL ARG HG22 H    A A 64  66  ? ? . . 
403 1 874  16 0.11 1 1 A A 64  66  VAL ARG HG23 H    A A 64  66  ? ? . . 
404 1 798  5  0.11 1 1 A A 169 170 LEU MET HD21 H    A A 169 170 ? ? . . 
405 1 798  5  0.11 1 1 A A 169 170 LEU MET HD22 H    A A 169 170 ? ? . . 
406 1 798  5  0.11 1 1 A A 169 170 LEU MET HD23 H    A A 169 170 ? ? . . 
407 1 663  5  0.11 1 1 A A 149 151 GLU GLY H    H    A A 149 151 ? ? . . 
408 1 663  13 0.11 1 1 A A 149 151 GLU GLY H    H    A A 149 151 ? ? . . 
409 1 663  14 0.11 1 1 A A 149 151 GLU GLY H    H    A A 149 151 ? ? . . 
410 1 648  1  0.11 1 1 A A 56  57  GLU ASP H    H    A A 56  57  ? ? . . 
411 1 609  12 0.11 1 1 A A 80  82  ASN TYR H    H    A A 80  82  ? ? . . 
412 1 561  17 0.11 1 1 A A 28  176 TYR ILE HD1  HD11 A A 28  176 ? ? . . 
413 1 561  17 0.11 1 1 A A 28  176 TYR ILE HD1  HD12 A A 28  176 ? ? . . 
414 1 561  17 0.11 1 1 A A 28  176 TYR ILE HD1  HD13 A A 28  176 ? ? . . 
415 1 561  17 0.11 1 1 A A 28  176 TYR ILE HD2  HD11 A A 28  176 ? ? . . 
416 1 561  17 0.11 1 1 A A 28  176 TYR ILE HD2  HD12 A A 28  176 ? ? . . 
417 1 561  17 0.11 1 1 A A 28  176 TYR ILE HD2  HD13 A A 28  176 ? ? . . 
418 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG11 HD21 A A 124 128 ? ? . . 
419 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG11 HD22 A A 124 128 ? ? . . 
420 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG11 HD23 A A 124 128 ? ? . . 
421 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG12 HD21 A A 124 128 ? ? . . 
422 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG12 HD22 A A 124 128 ? ? . . 
423 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG12 HD23 A A 124 128 ? ? . . 
424 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG13 HD21 A A 124 128 ? ? . . 
425 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG13 HD22 A A 124 128 ? ? . . 
426 1 553  20 0.11 1 1 A A 124 128 VAL LEU HG13 HD23 A A 124 128 ? ? . . 
427 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD21 HD21 A A 13  169 ? ? . . 
428 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD21 HD22 A A 13  169 ? ? . . 
429 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD21 HD23 A A 13  169 ? ? . . 
430 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD22 HD21 A A 13  169 ? ? . . 
431 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD22 HD22 A A 13  169 ? ? . . 
432 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD22 HD23 A A 13  169 ? ? . . 
433 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD23 HD21 A A 13  169 ? ? . . 
434 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD23 HD22 A A 13  169 ? ? . . 
435 1 552  9  0.11 1 1 A A 13  169 LEU LEU HD23 HD23 A A 13  169 ? ? . . 
436 1 540  3  0.11 1 1 A A 133 136 PHE LEU HD1  HD21 A A 133 136 ? ? . . 
437 1 540  3  0.11 1 1 A A 133 136 PHE LEU HD1  HD22 A A 133 136 ? ? . . 
438 1 540  3  0.11 1 1 A A 133 136 PHE LEU HD1  HD23 A A 133 136 ? ? . . 
439 1 540  3  0.11 1 1 A A 133 136 PHE LEU HD2  HD21 A A 133 136 ? ? . . 
440 1 540  3  0.11 1 1 A A 133 136 PHE LEU HD2  HD22 A A 133 136 ? ? . . 
441 1 540  3  0.11 1 1 A A 133 136 PHE LEU HD2  HD23 A A 133 136 ? ? . . 
442 1 391  20 0.11 1 1 A A 23  26  VAL LEU HG11 H    A A 23  26  ? ? . . 
443 1 391  20 0.11 1 1 A A 23  26  VAL LEU HG12 H    A A 23  26  ? ? . . 
444 1 391  20 0.11 1 1 A A 23  26  VAL LEU HG13 H    A A 23  26  ? ? . . 
445 1 291  19 0.11 1 1 A A 182 183 LEU GLU HD21 H    A A 182 183 ? ? . . 
446 1 291  19 0.11 1 1 A A 182 183 LEU GLU HD22 H    A A 182 183 ? ? . . 
447 1 291  19 0.11 1 1 A A 182 183 LEU GLU HD23 H    A A 182 183 ? ? . . 
448 1 265  18 0.11 1 1 A A 70  72  ILE LEU H    HD11 A A 70  72  ? ? . . 
449 1 265  18 0.11 1 1 A A 70  72  ILE LEU H    HD12 A A 70  72  ? ? . . 
450 1 265  18 0.11 1 1 A A 70  72  ILE LEU H    HD13 A A 70  72  ? ? . . 
451 1 241  7  0.11 1 1 A A 37  66  ARG ARG H    H    A A 37  66  ? ? . . 
452 1 183  7  0.11 1 1 A A 171 172 LEU VAL HD21 H    A A 171 172 ? ? . . 
453 1 183  7  0.11 1 1 A A 171 172 LEU VAL HD22 H    A A 171 172 ? ? . . 
454 1 183  7  0.11 1 1 A A 171 172 LEU VAL HD23 H    A A 171 172 ? ? . . 
455 1 160  3  0.11 1 1 A A 44  44  LEU LEU H    HD11 A A 44  44  ? ? . . 
456 1 160  3  0.11 1 1 A A 44  44  LEU LEU H    HD12 A A 44  44  ? ? . . 
457 1 160  3  0.11 1 1 A A 44  44  LEU LEU H    HD13 A A 44  44  ? ? . . 
458 1 1033 13 0.11 1 1 A A 35  67  VAL GLY O    H    A A 35  67  ? ? . . 
459 1 1009 5  0.11 1 1 A A 155 170 ILE MET H    O    A A 155 170 ? ? . . 
# 
loop_
_pdbx_nmr_dihedral_angle_violation_summary.type 
_pdbx_nmr_dihedral_angle_violation_summary.restraints_count 
_pdbx_nmr_dihedral_angle_violation_summary.restraints_percent 
_pdbx_nmr_dihedral_angle_violation_summary.violations_count 
_pdbx_nmr_dihedral_angle_violation_summary.violations_percent 
_pdbx_nmr_dihedral_angle_violation_summary.violations_percent_type 
_pdbx_nmr_dihedral_angle_violation_summary.consistent_violations_count 
_pdbx_nmr_dihedral_angle_violation_summary.consistent_violations_percent 
_pdbx_nmr_dihedral_angle_violation_summary.consistent_violations_percent_type 
chi2  14  4.8   6   2.0  42.9 0 0.0 0.0 
chi1  18  6.1   5   1.7  27.8 0 0.0 0.0 
phi   127 43.3  44  15.0 34.6 0 0.0 0.0 
psi   128 43.7  49  16.7 38.3 0 0.0 0.0 
chi21 6   2.0   0   0.0  0.0  0 0.0 0.0 
all   293 100.0 104 35.5 35.5 0 0.0 0.0 
# 
loop_
_pdbx_nmr_dihedral_angle_violation_model.PDB_model_num 
_pdbx_nmr_dihedral_angle_violation_model.maximum_violation 
_pdbx_nmr_dihedral_angle_violation_model.average_violation 
_pdbx_nmr_dihedral_angle_violation_model.median_violation 
_pdbx_nmr_dihedral_angle_violation_model.standard_deviation 
_pdbx_nmr_dihedral_angle_violation_model.chi2_violations_count 
_pdbx_nmr_dihedral_angle_violation_model.chi1_violations_count 
_pdbx_nmr_dihedral_angle_violation_model.phi_violations_count 
_pdbx_nmr_dihedral_angle_violation_model.psi_violations_count 
_pdbx_nmr_dihedral_angle_violation_model.chi21_violations_count 
_pdbx_nmr_dihedral_angle_violation_model.violations_count 
1  141.4 14.12 2.05 38.35 2 0 11 11 0 24 
2  136.7 9.7   2.5  29.98 1 0 8  10 0 19 
3  4.1   2.23  2.05 0.82  3 2 9  10 0 24 
4  9.7   3.34  3.25 2.1   1 1 4  8  0 14 
5  148.6 8.73  2.1  29.23 1 0 11 12 0 24 
6  146.0 7.7   2.3  27.15 2 0 10 15 0 27 
7  9.7   3.04  2.0  2.13  1 1 7  15 0 24 
8  7.5   2.73  2.4  1.26  1 2 7  17 0 27 
9  141.6 14.32 3.1  37.4  3 0 8  14 0 25 
10 143.6 11.15 2.6  33.16 1 0 5  11 0 17 
11 146.6 16.34 2.5  41.97 2 0 10 9  0 21 
12 142.1 7.74  1.9  27.45 3 1 8  13 0 25 
13 145.6 9.97  3.1  29.69 1 0 8  13 0 22 
14 6.6   2.6   2.2  1.35  0 0 10 12 0 22 
15 144.8 10.53 2.55 30.88 2 1 8  9  0 20 
16 137.1 8.07  2.4  26.93 3 0 8  13 0 24 
17 147.8 8.38  2.0  27.98 3 1 10 12 0 26 
18 139.4 8.12  2.5  26.83 2 0 10 13 0 25 
19 138.4 8.68  2.1  28.34 1 0 7  14 0 22 
20 150.5 8.34  1.9  29.05 2 0 8  15 0 25 
# 
loop_
_pdbx_nmr_dihedral_angle_violation_ensemble.fraction_ensemble_size 
_pdbx_nmr_dihedral_angle_violation_ensemble.fraction_ensemble_percent 
_pdbx_nmr_dihedral_angle_violation_ensemble.chi2_violations_count 
_pdbx_nmr_dihedral_angle_violation_ensemble.chi1_violations_count 
_pdbx_nmr_dihedral_angle_violation_ensemble.phi_violations_count 
_pdbx_nmr_dihedral_angle_violation_ensemble.psi_violations_count 
_pdbx_nmr_dihedral_angle_violation_ensemble.chi21_violations_count 
_pdbx_nmr_dihedral_angle_violation_ensemble.violations_count 
1  5.0   1 3 15 13 0 32 
2  10.0  1 1 8  6  0 16 
3  15.0  1 0 3  7  0 11 
4  20.0  0 1 1  6  0 8  
5  25.0  0 0 4  2  0 6  
6  30.0  0 0 2  0  0 2  
7  35.0  1 0 4  1  0 6  
8  40.0  0 0 3  2  0 5  
9  45.0  1 0 2  2  0 5  
10 50.0  0 0 1  1  0 2  
11 55.0  0 0 1  3  0 4  
12 60.0  0 0 0  2  0 2  
13 65.0  1 0 0  1  0 2  
14 70.0  0 0 0  0  0 0  
15 75.0  0 0 0  3  0 3  
16 80.0  0 0 0  0  0 0  
17 85.0  0 0 0  0  0 0  
18 90.0  0 0 0  0  0 0  
19 95.0  0 0 0  0  0 0  
20 100.0 0 0 0  0  0 0  
# 
loop_
_pdbx_nmr_dihedral_angle_violation_plural.ordinal 
_pdbx_nmr_dihedral_angle_violation_plural.list_id 
_pdbx_nmr_dihedral_angle_violation_plural.restraint_id 
_pdbx_nmr_dihedral_angle_violation_plural.violation_models_count 
_pdbx_nmr_dihedral_angle_violation_plural.average_violation 
_pdbx_nmr_dihedral_angle_violation_plural.median_violation 
_pdbx_nmr_dihedral_angle_violation_plural.standard_deviation 
_pdbx_nmr_dihedral_angle_violation_plural.entity_id 
_pdbx_nmr_dihedral_angle_violation_plural.auth_asym_id 
_pdbx_nmr_dihedral_angle_violation_plural.auth_seq_id_1 
_pdbx_nmr_dihedral_angle_violation_plural.auth_seq_id_2 
_pdbx_nmr_dihedral_angle_violation_plural.auth_seq_id_3 
_pdbx_nmr_dihedral_angle_violation_plural.auth_seq_id_4 
_pdbx_nmr_dihedral_angle_violation_plural.auth_comp_id_1 
_pdbx_nmr_dihedral_angle_violation_plural.auth_comp_id_2 
_pdbx_nmr_dihedral_angle_violation_plural.auth_comp_id_3 
_pdbx_nmr_dihedral_angle_violation_plural.auth_comp_id_4 
_pdbx_nmr_dihedral_angle_violation_plural.auth_atom_id_1 
_pdbx_nmr_dihedral_angle_violation_plural.auth_atom_id_2 
_pdbx_nmr_dihedral_angle_violation_plural.auth_atom_id_3 
_pdbx_nmr_dihedral_angle_violation_plural.auth_atom_id_4 
_pdbx_nmr_dihedral_angle_violation_plural.label_asym_id 
_pdbx_nmr_dihedral_angle_violation_plural.label_seq_id_1 
_pdbx_nmr_dihedral_angle_violation_plural.label_seq_id_2 
_pdbx_nmr_dihedral_angle_violation_plural.label_seq_id_3 
_pdbx_nmr_dihedral_angle_violation_plural.label_seq_id_4 
_pdbx_nmr_dihedral_angle_violation_plural.PDB_ins_code_1 
_pdbx_nmr_dihedral_angle_violation_plural.PDB_ins_code_2 
_pdbx_nmr_dihedral_angle_violation_plural.PDB_ins_code_3 
_pdbx_nmr_dihedral_angle_violation_plural.PDB_ins_code_4 
_pdbx_nmr_dihedral_angle_violation_plural.label_alt_id_1 
_pdbx_nmr_dihedral_angle_violation_plural.label_alt_id_2 
_pdbx_nmr_dihedral_angle_violation_plural.label_alt_id_3 
_pdbx_nmr_dihedral_angle_violation_plural.label_alt_id_4 
1  1 175 15 6.63   6.4   1.04  1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N 
A 133 133 133 134 ? ? ? ? . . . . 
2  1 230 15 2.29   2.1   0.7   1 A 170 170 170 171 MET MET MET LEU N  CA C  N 
A 170 170 170 171 ? ? ? ? . . . . 
3  1 167 15 2.23   2.1   0.74  1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N 
A 128 128 128 129 ? ? ? ? . . . . 
4  1 271 13 88.85  138.4 67.11 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG 
CD1 A 133 133 133 133 ? ? ? ? . . . . 
5  1 86  13 2.35   1.8   1.05  1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N 
A 84  84  84  85  ? ? ? ? . . . . 
6  1 16  12 3.41   3.5   1.39  1 A 9   9   9   10  THR THR THR ASP N  CA C  N 
A 9   9   9   10  ? ? ? ? . . . . 
7  1 22  12 3.02   3.35  1.35  1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N 
A 12  12  12  13  ? ? ? ? . . . . 
8  1 255 11 2.92   2.8   0.87  1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N 
A 19  19  19  20  ? ? ? ? . . . . 
9  1 19  11 2.54   2.3   1.09  1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C 
A 10  11  11  11  ? ? ? ? . . . . 
10 1 243 11 2.44   2.3   0.81  1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N 
A 177 177 177 178 ? ? ? ? . . . . 
11 1 253 11 2.22   2.1   0.6   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N 
A 26  26  26  27  ? ? ? ? . . . . 
12 1 14  10 5.23   4.95  2.64  1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N 
A 8   8   8   9   ? ? ? ? . . . . 
13 1 35  10 2.42   2.5   0.86  1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C 
A 27  28  28  28  ? ? ? ? . . . . 
14 1 293 9  95.31  140.4 66.17 1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG 
CD1 A 30  30  30  30  ? ? ? ? . . . . 
15 1 13  9  4.61   4.1   1.29  1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C 
A 7   8   8   8   ? ? ? ? . . . . 
16 1 52  9  2.92   2.6   1.02  1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N 
A 37  37  37  38  ? ? ? ? . . . . 
17 1 172 9  2.7    2.5   1.26  1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C 
A 131 132 132 132 ? ? ? ? . . . . 
18 1 4   9  2.46   2.2   0.89  1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N 
A 3   3   3   4   ? ? ? ? . . . . 
19 1 18  8  8.95   9.0   1.34  1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N 
A 10  10  10  11  ? ? ? ? . . . . 
20 1 180 8  2.35   1.85  1.03  1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C 
A 135 136 136 136 ? ? ? ? . . . . 
21 1 57  8  2.2    2.2   0.85  1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C 
A 67  68  68  68  ? ? ? ? . . . . 
22 1 251 8  2.17   2.15  0.82  1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N 
A 181 181 181 182 ? ? ? ? . . . . 
23 1 83  8  1.86   1.8   0.39  1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C 
A 82  83  83  83  ? ? ? ? . . . . 
24 1 54  7  2.99   3.0   0.9   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N 
A 38  38  38  39  ? ? ? ? . . . . 
25 1 53  7  1.97   2.1   0.66  1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C 
A 37  38  38  38  ? ? ? ? . . . . 
26 1 214 7  1.94   1.6   0.69  1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C 
A 159 160 160 160 ? ? ? ? . . . . 
27 1 77  7  1.93   1.7   0.77  1 A 78  79  79  79  GLU MET MET MET C  N  CA C 
A 78  79  79  79  ? ? ? ? . . . . 
28 1 227 7  1.77   1.6   0.55  1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C 
A 168 169 169 169 ? ? ? ? . . . . 
29 1 279 7  1.6    1.6   0.36  1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG 
CD1 A 82  82  82  82  ? ? ? ? . . . . 
30 1 15  6  5.87   6.35  2.11  1 A 8   9   9   9   PHE THR THR THR C  N  CA C 
A 8   9   9   9   ? ? ? ? . . . . 
31 1 21  6  3.08   2.9   0.78  1 A 11  12  12  12  ASP GLU GLU GLU C  N  CA C 
A 11  12  12  12  ? ? ? ? . . . . 
32 1 17  5  2.32   2.7   0.98  1 A 9   10  10  10  THR ASP ASP ASP C  N  CA C 
A 9   10  10  10  ? ? ? ? . . . . 
33 1 23  5  2.2    1.9   1.19  1 A 13  14  14  14  LEU SER SER SER C  N  CA C 
A 13  14  14  14  ? ? ? ? . . . . 
34 1 38  5  2.06   2.0   0.58  1 A 29  29  29  30  GLU GLU GLU PHE N  CA C  N 
A 29  29  29  30  ? ? ? ? . . . . 
35 1 220 5  1.92   1.8   0.32  1 A 164 165 165 165 THR GLU GLU GLU C  N  CA C 
A 164 165 165 165 ? ? ? ? . . . . 
36 1 3   5  1.88   1.5   0.67  1 A 2   3   3   3   LEU ILE ILE ILE C  N  CA C 
A 2   3   3   3   ? ? ? ? . . . . 
37 1 199 5  1.56   1.6   0.29  1 A 146 146 146 147 GLU GLU GLU GLY N  CA C  N 
A 146 146 146 147 ? ? ? ? . . . . 
38 1 270 4  4.1    4.0   0.44  1 A 133 133 133 133 PHE PHE PHE PHE N  CA CB CG 
A 133 133 133 133 ? ? ? ? . . . . 
39 1 25  4  2.45   2.35  0.35  1 A 19  20  20  20  PRO MET MET MET C  N  CA C 
A 19  20  20  20  ? ? ? ? . . . . 
40 1 223 4  2.4    2.4   0.78  1 A 166 166 166 167 VAL VAL VAL PRO N  CA C  N 
A 166 166 166 167 ? ? ? ? . . . . 
41 1 36  4  2.25   2.3   0.17  1 A 28  28  28  29  TYR TYR TYR GLU N  CA C  N 
A 28  28  28  29  ? ? ? ? . . . . 
42 1 2   4  2.08   2.05  0.08  1 A 2   2   2   3   LEU LEU LEU ILE N  CA C  N 
A 2   2   2   3   ? ? ? ? . . . . 
43 1 171 4  1.95   1.85  0.44  1 A 131 131 131 132 ASP ASP ASP ARG N  CA C  N 
A 131 131 131 132 ? ? ? ? . . . . 
44 1 40  4  1.8    1.65  0.55  1 A 30  30  30  31  PHE PHE PHE LYS N  CA C  N 
A 30  30  30  31  ? ? ? ? . . . . 
45 1 78  4  1.5    1.55  0.25  1 A 79  79  79  80  MET MET MET ASN N  CA C  N 
A 79  79  79  80  ? ? ? ? . . . . 
46 1 265 3  147.07 148.6 3.6   1 A 95  95  95  95  PHE PHE PHE PHE CA CB CG 
CD1 A 95  95  95  95  ? ? ? ? . . . . 
47 1 24  3  2.53   2.3   0.48  1 A 14  14  14  15  SER SER SER SER N  CA C  N 
A 14  14  14  15  ? ? ? ? . . . . 
48 1 183 3  2.4    2.4   0.98  1 A 137 137 137 138 ALA ALA ALA PHE N  CA C  N 
A 137 137 137 138 ? ? ? ? . . . . 
49 1 5   3  2.3    2.5   0.91  1 A 3   4   4   4   ILE TYR TYR TYR C  N  CA C 
A 3   4   4   4   ? ? ? ? . . . . 
50 1 224 3  2.27   2.6   0.69  1 A 167 167 167 168 PRO PRO PRO THR N  CA C  N 
A 167 167 167 168 ? ? ? ? . . . . 
51 1 82  3  2.13   2.0   0.66  1 A 82  82  82  83  TYR TYR TYR GLU N  CA C  N 
A 82  82  82  83  ? ? ? ? . . . . 
52 1 55  3  2.13   2.2   0.57  1 A 65  66  66  66  GLU ARG ARG ARG C  N  CA C 
A 65  66  66  66  ? ? ? ? . . . . 
53 1 249 3  1.83   1.8   0.53  1 A 180 180 180 181 LYS LYS LYS CYS N  CA C  N 
A 180 180 180 181 ? ? ? ? . . . . 
54 1 6   3  1.73   1.6   0.42  1 A 4   4   4   5   TYR TYR TYR LYS N  CA C  N 
A 4   4   4   5   ? ? ? ? . . . . 
55 1 72  3  1.43   1.2   0.4   1 A 75  75  75  76  LYS LYS LYS LEU N  CA C  N 
A 75  75  75  76  ? ? ? ? . . . . 
56 1 252 3  1.27   1.3   0.05  1 A 25  26  26  26  ASP LEU LEU LEU C  N  CA C 
A 25  26  26  26  ? ? ? ? . . . . 
57 1 246 2  2.95   2.95  0.25  1 A 178 179 179 179 GLU GLU GLU GLU C  N  CA C 
A 178 179 179 179 ? ? ? ? . . . . 
58 1 207 2  2.2    2.2   0.0   1 A 155 155 155 156 ILE ILE ILE ILE N  CA C  N 
A 155 155 155 156 ? ? ? ? . . . . 
59 1 245 2  2.1    2.1   0.4   1 A 178 178 178 179 GLU GLU GLU GLU N  CA C  N 
A 178 178 178 179 ? ? ? ? . . . . 
60 1 7   2  2.1    2.1   1.0   1 A 4   5   5   5   TYR LYS LYS LYS C  N  CA C 
A 4   5   5   5   ? ? ? ? . . . . 
61 1 129 2  2.1    2.1   0.2   1 A 105 106 106 106 LYS ASN ASN ASN C  N  CA C 
A 105 106 106 106 ? ? ? ? . . . . 
62 1 222 2  1.95   1.95  0.65  1 A 165 166 166 166 GLU VAL VAL VAL C  N  CA C 
A 165 166 166 166 ? ? ? ? . . . . 
63 1 274 2  1.95   1.95  0.65  1 A 91  91  91  91  TYR TYR TYR TYR N  CA CB CG 
A 91  91  91  91  ? ? ? ? . . . . 
64 1 70  2  1.85   1.85  0.75  1 A 74  74  74  75  HIS HIS HIS LYS N  CA C  N 
A 74  74  74  75  ? ? ? ? . . . . 
65 1 200 2  1.85   1.85  0.25  1 A 151 152 152 152 GLY GLN GLN GLN C  N  CA C 
A 151 152 152 152 ? ? ? ? . . . . 
66 1 275 2  1.8    1.8   0.7   1 A 91  91  91  91  TYR TYR TYR TYR CA CB CG 
CD1 A 91  91  91  91  ? ? ? ? . . . . 
67 1 216 2  1.8    1.8   0.7   1 A 160 161 161 161 ASP VAL VAL VAL C  N  CA C 
A 160 161 161 161 ? ? ? ? . . . . 
68 1 247 2  1.6    1.6   0.3   1 A 179 179 179 180 GLU GLU GLU LYS N  CA C  N 
A 179 179 179 180 ? ? ? ? . . . . 
69 1 51  2  1.6    1.6   0.3   1 A 36  37  37  37  VAL ARG ARG ARG C  N  CA C 
A 36  37  37  37  ? ? ? ? . . . . 
70 1 213 2  1.55   1.55  0.35  1 A 158 158 158 159 TYR TYR TYR ARG N  CA C  N 
A 158 158 158 159 ? ? ? ? . . . . 
71 1 239 2  1.35   1.35  0.05  1 A 174 175 175 175 GLU ALA ALA ALA C  N  CA C 
A 174 175 175 175 ? ? ? ? . . . . 
72 1 169 2  1.35   1.35  0.05  1 A 130 130 130 131 LYS LYS LYS ASP N  CA C  N 
A 130 130 130 131 ? ? ? ? . . . . 
# 
loop_
_pdbx_nmr_dihedral_angle_violation.ordinal 
_pdbx_nmr_dihedral_angle_violation.list_id 
_pdbx_nmr_dihedral_angle_violation.restraint_id 
_pdbx_nmr_dihedral_angle_violation.PDB_model_num 
_pdbx_nmr_dihedral_angle_violation.violation 
_pdbx_nmr_dihedral_angle_violation.entity_id 
_pdbx_nmr_dihedral_angle_violation.auth_asym_id 
_pdbx_nmr_dihedral_angle_violation.auth_seq_id_1 
_pdbx_nmr_dihedral_angle_violation.auth_seq_id_2 
_pdbx_nmr_dihedral_angle_violation.auth_seq_id_3 
_pdbx_nmr_dihedral_angle_violation.auth_seq_id_4 
_pdbx_nmr_dihedral_angle_violation.auth_comp_id_1 
_pdbx_nmr_dihedral_angle_violation.auth_comp_id_2 
_pdbx_nmr_dihedral_angle_violation.auth_comp_id_3 
_pdbx_nmr_dihedral_angle_violation.auth_comp_id_4 
_pdbx_nmr_dihedral_angle_violation.auth_atom_id_1 
_pdbx_nmr_dihedral_angle_violation.auth_atom_id_2 
_pdbx_nmr_dihedral_angle_violation.auth_atom_id_3 
_pdbx_nmr_dihedral_angle_violation.auth_atom_id_4 
_pdbx_nmr_dihedral_angle_violation.label_asym_id 
_pdbx_nmr_dihedral_angle_violation.label_seq_id_1 
_pdbx_nmr_dihedral_angle_violation.label_seq_id_2 
_pdbx_nmr_dihedral_angle_violation.label_seq_id_3 
_pdbx_nmr_dihedral_angle_violation.label_seq_id_4 
_pdbx_nmr_dihedral_angle_violation.PDB_ins_code_1 
_pdbx_nmr_dihedral_angle_violation.PDB_ins_code_2 
_pdbx_nmr_dihedral_angle_violation.PDB_ins_code_3 
_pdbx_nmr_dihedral_angle_violation.PDB_ins_code_4 
_pdbx_nmr_dihedral_angle_violation.label_alt_id_1 
_pdbx_nmr_dihedral_angle_violation.label_alt_id_2 
_pdbx_nmr_dihedral_angle_violation.label_alt_id_3 
_pdbx_nmr_dihedral_angle_violation.label_alt_id_4 
1   1 265 20 150.5 1 A 95  95  95  95  PHE PHE PHE PHE CA CB CG CD1 A 95  95  
95  95  ? ? ? ? . . . . 
2   1 265 5  148.6 1 A 95  95  95  95  PHE PHE PHE PHE CA CB CG CD1 A 95  95  
95  95  ? ? ? ? . . . . 
3   1 281 17 147.8 1 A 116 116 116 116 PHE PHE PHE PHE CA CB CG CD1 A 116 116 
116 116 ? ? ? ? . . . . 
4   1 271 11 146.6 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
5   1 293 6  146.0 1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
6   1 271 13 145.6 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
7   1 271 15 144.8 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
8   1 293 11 144.7 1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
9   1 293 10 143.6 1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
10  1 265 12 142.1 1 A 95  95  95  95  PHE PHE PHE PHE CA CB CG CD1 A 95  95  
95  95  ? ? ? ? . . . . 
11  1 271 9  141.6 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
12  1 271 1  141.4 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
13  1 293 1  141.0 1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
14  1 293 9  140.4 1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
15  1 271 18 139.4 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
16  1 271 19 138.4 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
17  1 271 16 137.1 1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
18  1 293 2  136.7 1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
19  1 18  13 11.6  1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
20  1 14  17 10.7  1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
21  1 18  4  9.7   1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
22  1 18  7  9.7   1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
23  1 18  15 9.2   1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
24  1 18  17 8.8   1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
25  1 175 5  8.8   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
26  1 175 10 8.4   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
27  1 175 1  7.9   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
28  1 15  9  7.8   1 A 8   9   9   9   PHE THR THR THR C  N  CA C   A 8   9   
9   9   ? ? ? ? . . . . 
29  1 18  5  7.6   1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
30  1 15  15 7.6   1 A 8   9   9   9   PHE THR THR THR C  N  CA C   A 8   9   
9   9   ? ? ? ? . . . . 
31  1 18  8  7.5   1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
32  1 18  9  7.5   1 A 10  10  10  11  ASP ASP ASP ASP N  CA C  N   A 10  10  
10  11  ? ? ? ? . . . . 
33  1 14  15 7.5   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
34  1 175 18 7.0   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
35  1 175 11 6.9   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
36  1 15  7  6.8   1 A 8   9   9   9   PHE THR THR THR C  N  CA C   A 8   9   
9   9   ? ? ? ? . . . . 
37  1 14  9  6.8   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
38  1 14  13 6.8   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
39  1 175 2  6.7   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
40  1 175 14 6.6   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
41  1 13  2  6.5   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
42  1 175 6  6.4   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
43  1 13  20 6.4   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
44  1 175 16 6.3   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
45  1 175 20 6.3   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
46  1 175 19 6.2   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
47  1 14  7  6.1   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
48  1 175 9  5.9   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
49  1 15  17 5.9   1 A 8   9   9   9   PHE THR THR THR C  N  CA C   A 8   9   
9   9   ? ? ? ? . . . . 
50  1 175 13 5.8   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
51  1 13  10 5.8   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
52  1 16  1  5.7   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
53  1 15  13 5.6   1 A 8   9   9   9   PHE THR THR THR C  N  CA C   A 8   9   
9   9   ? ? ? ? . . . . 
54  1 271 12 5.5   1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
55  1 175 7  5.5   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
56  1 16  18 5.3   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
57  1 52  13 5.1   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
58  1 13  11 5.1   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
59  1 22  5  4.9   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
60  1 270 12 4.8   1 A 133 133 133 133 PHE PHE PHE PHE N  CA CB CG  A 133 133 
133 133 ? ? ? ? . . . . 
61  1 10  6  4.8   1 A 6   6   6   7   ASP ASP ASP ILE N  CA C  N   A 6   6   
6   7   ? ? ? ? . . . . 
62  1 86  2  4.7   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
63  1 54  18 4.7   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N   A 38  38  
38  39  ? ? ? ? . . . . 
64  1 22  4  4.7   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
65  1 175 15 4.7   1 A 133 133 133 134 PHE PHE PHE LYS N  CA C  N   A 133 133 
133 134 ? ? ? ? . . . . 
66  1 172 19 4.6   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
67  1 23  7  4.5   1 A 13  14  14  14  LEU SER SER SER C  N  CA C   A 13  14  
14  14  ? ? ? ? . . . . 
68  1 21  1  4.5   1 A 11  12  12  12  ASP GLU GLU GLU C  N  CA C   A 11  12  
12  12  ? ? ? ? . . . . 
69  1 16  14 4.5   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
70  1 271 8  4.4   1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
71  1 22  15 4.4   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
72  1 19  7  4.4   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
73  1 19  15 4.3   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
74  1 172 1  4.3   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
75  1 264 8  4.2   1 A 95  95  95  95  PHE PHE PHE PHE N  CA CB CG  A 95  95  
95  95  ? ? ? ? . . . . 
76  1 255 4  4.2   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
77  1 22  14 4.2   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
78  1 270 8  4.1   1 A 133 133 133 133 PHE PHE PHE PHE N  CA CB CG  A 133 133 
133 133 ? ? ? ? . . . . 
79  1 255 20 4.1   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
80  1 16  12 4.1   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
81  1 13  3  4.1   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
82  1 52  7  4.0   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
83  1 4   16 4.0   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
84  1 255 19 4.0   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
85  1 16  8  4.0   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
86  1 86  4  3.9   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
87  1 57  10 3.9   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
88  1 270 4  3.9   1 A 133 133 133 133 PHE PHE PHE PHE N  CA CB CG  A 133 133 
133 133 ? ? ? ? . . . . 
89  1 172 9  3.9   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
90  1 16  19 3.9   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
91  1 13  14 3.9   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
92  1 251 14 3.8   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
93  1 243 17 3.8   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
94  1 230 11 3.8   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
95  1 19  9  3.8   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
96  1 180 6  3.8   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
97  1 180 13 3.8   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
98  1 14  4  3.8   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
99  1 86  19 3.7   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
100 1 4   11 3.7   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
101 1 230 7  3.7   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
102 1 22  16 3.7   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
103 1 17  14 3.7   1 A 9   10  10  10  THR ASP ASP ASP C  N  CA C   A 9   10  
10  10  ? ? ? ? . . . . 
104 1 54  10 3.6   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N   A 38  38  
38  39  ? ? ? ? . . . . 
105 1 35  18 3.6   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
106 1 271 3  3.6   1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
107 1 270 17 3.6   1 A 133 133 133 133 PHE PHE PHE PHE N  CA CB CG  A 133 133 
133 133 ? ? ? ? . . . . 
108 1 243 18 3.6   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
109 1 22  17 3.6   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
110 1 21  14 3.6   1 A 11  12  12  12  ASP GLU GLU GLU C  N  CA C   A 11  12  
12  12  ? ? ? ? . . . . 
111 1 183 13 3.6   1 A 137 137 137 138 ALA ALA ALA PHE N  CA C  N   A 137 137 
137 138 ? ? ? ? . . . . 
112 1 271 4  3.5   1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
113 1 223 15 3.5   1 A 166 166 166 167 VAL VAL VAL PRO N  CA C  N   A 166 166 
166 167 ? ? ? ? . . . . 
114 1 77  5  3.4   1 A 78  79  79  79  GLU MET MET MET C  N  CA C   A 78  79  
79  79  ? ? ? ? . . . . 
115 1 243 13 3.4   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
116 1 167 19 3.4   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
117 1 13  16 3.4   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
118 1 5   9  3.3   1 A 3   4   4   4   ILE TYR TYR TYR C  N  CA C   A 3   4   
4   4   ? ? ? ? . . . . 
119 1 35  3  3.3   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
120 1 35  13 3.3   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
121 1 255 18 3.3   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
122 1 180 9  3.3   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
123 1 167 9  3.3   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
124 1 13  1  3.3   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
125 1 54  12 3.2   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N   A 38  38  
38  39  ? ? ? ? . . . . 
126 1 253 9  3.2   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
127 1 246 20 3.2   1 A 178 179 179 179 GLU GLU GLU GLU C  N  CA C   A 178 179 
179 179 ? ? ? ? . . . . 
128 1 24  13 3.2   1 A 14  14  14  15  SER SER SER SER N  CA C  N   A 14  14  
14  15  ? ? ? ? . . . . 
129 1 230 2  3.2   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
130 1 172 11 3.2   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
131 1 1   3  3.2   1 A 1   2   2   2   MET LEU LEU LEU C  N  CA C   A 1   2   
2   2   ? ? ? ? . . . . 
132 1 7   8  3.1   1 A 4   5   5   5   TYR LYS LYS LYS C  N  CA C   A 4   5   
5   5   ? ? ? ? . . . . 
133 1 52  10 3.1   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
134 1 52  18 3.1   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
135 1 271 17 3.1   1 A 133 133 133 133 PHE PHE PHE PHE CA CB CG CD1 A 133 133 
133 133 ? ? ? ? . . . . 
136 1 22  9  3.1   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
137 1 214 19 3.1   1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C   A 159 160 
160 160 ? ? ? ? . . . . 
138 1 168 11 3.1   1 A 129 130 130 130 ALA LYS LYS LYS C  N  CA C   A 129 130 
130 130 ? ? ? ? . . . . 
139 1 16  3  3.1   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
140 1 82  10 3.0   1 A 82  82  82  83  TYR TYR TYR GLU N  CA C  N   A 82  82  
82  83  ? ? ? ? . . . . 
141 1 54  16 3.0   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N   A 38  38  
38  39  ? ? ? ? . . . . 
142 1 35  6  3.0   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
143 1 35  8  3.0   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
144 1 3   5  3.0   1 A 2   3   3   3   LEU ILE ILE ILE C  N  CA C   A 2   3   
3   3   ? ? ? ? . . . . 
145 1 255 13 3.0   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
146 1 253 3  3.0   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
147 1 25  20 3.0   1 A 19  20  20  20  PRO MET MET MET C  N  CA C   A 19  20  
20  20  ? ? ? ? . . . . 
148 1 21  2  3.0   1 A 11  12  12  12  ASP GLU GLU GLU C  N  CA C   A 11  12  
12  12  ? ? ? ? . . . . 
149 1 167 4  3.0   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
150 1 16  6  3.0   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
151 1 14  8  3.0   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
152 1 13  18 3.0   1 A 7   8   8   8   ILE PHE PHE PHE C  N  CA C   A 7   8   
8   8   ? ? ? ? . . . . 
153 1 53  16 2.9   1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C   A 37  38  
38  38  ? ? ? ? . . . . 
154 1 4   10 2.9   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
155 1 38  11 2.9   1 A 29  29  29  30  GLU GLU GLU PHE N  CA C  N   A 29  29  
29  30  ? ? ? ? . . . . 
156 1 253 16 2.9   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
157 1 227 6  2.9   1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C   A 168 169 
169 169 ? ? ? ? . . . . 
158 1 224 16 2.9   1 A 167 167 167 168 PRO PRO PRO THR N  CA C  N   A 167 167 
167 168 ? ? ? ? . . . . 
159 1 214 8  2.9   1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C   A 159 160 
160 160 ? ? ? ? . . . . 
160 1 167 7  2.9   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
161 1 167 8  2.9   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
162 1 16  20 2.9   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
163 1 86  9  2.8   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
164 1 57  15 2.8   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
165 1 55  20 2.8   1 A 65  66  66  66  GLU ARG ARG ARG C  N  CA C   A 65  66  
66  66  ? ? ? ? . . . . 
166 1 255 17 2.8   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
167 1 251 5  2.8   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
168 1 21  3  2.8   1 A 11  12  12  12  ASP GLU GLU GLU C  N  CA C   A 11  12  
12  12  ? ? ? ? . . . . 
169 1 17  18 2.8   1 A 9   10  10  10  THR ASP ASP ASP C  N  CA C   A 9   10  
10  10  ? ? ? ? . . . . 
170 1 77  6  2.7   1 A 78  79  79  79  GLU MET MET MET C  N  CA C   A 78  79  
79  79  ? ? ? ? . . . . 
171 1 53  3  2.7   1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C   A 37  38  
38  38  ? ? ? ? . . . . 
172 1 40  1  2.7   1 A 30  30  30  31  PHE PHE PHE LYS N  CA C  N   A 30  30  
30  31  ? ? ? ? . . . . 
173 1 255 9  2.7   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
174 1 246 6  2.7   1 A 178 179 179 179 GLU GLU GLU GLU C  N  CA C   A 178 179 
179 179 ? ? ? ? . . . . 
175 1 17  1  2.7   1 A 9   10  10  10  THR ASP ASP ASP C  N  CA C   A 9   10  
10  10  ? ? ? ? . . . . 
176 1 14  18 2.7   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
177 1 83  18 2.6   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
178 1 70  12 2.6   1 A 74  74  74  75  HIS HIS HIS LYS N  CA C  N   A 74  74  
74  75  ? ? ? ? . . . . 
179 1 52  2  2.6   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
180 1 4   12 2.6   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
181 1 274 7  2.6   1 A 91  91  91  91  TYR TYR TYR TYR N  CA CB CG  A 91  91  
91  91  ? ? ? ? . . . . 
182 1 255 15 2.6   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
183 1 253 8  2.6   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
184 1 243 10 2.6   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
185 1 224 4  2.6   1 A 167 167 167 168 PRO PRO PRO THR N  CA C  N   A 167 167 
167 168 ? ? ? ? . . . . 
186 1 222 5  2.6   1 A 165 166 166 166 GLU VAL VAL VAL C  N  CA C   A 165 166 
166 166 ? ? ? ? . . . . 
187 1 171 11 2.6   1 A 131 131 131 132 ASP ASP ASP ARG N  CA C  N   A 131 131 
131 132 ? ? ? ? . . . . 
188 1 14  6  2.6   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
189 1 57  14 2.5   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
190 1 57  18 2.5   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
191 1 52  5  2.5   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
192 1 5   18 2.5   1 A 3   4   4   4   ILE TYR TYR TYR C  N  CA C   A 3   4   
4   4   ? ? ? ? . . . . 
193 1 38  1  2.5   1 A 29  29  29  30  GLU GLU GLU PHE N  CA C  N   A 29  29  
29  30  ? ? ? ? . . . . 
194 1 293 16 2.5   1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
195 1 275 20 2.5   1 A 91  91  91  91  TYR TYR TYR TYR CA CB CG CD1 A 91  91  
91  91  ? ? ? ? . . . . 
196 1 251 9  2.5   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
197 1 25  6  2.5   1 A 19  20  20  20  PRO MET MET MET C  N  CA C   A 19  20  
20  20  ? ? ? ? . . . . 
198 1 249 2  2.5   1 A 180 180 180 181 LYS LYS LYS CYS N  CA C  N   A 180 180 
180 181 ? ? ? ? . . . . 
199 1 245 2  2.5   1 A 178 178 178 179 GLU GLU GLU GLU N  CA C  N   A 178 178 
178 179 ? ? ? ? . . . . 
200 1 223 3  2.5   1 A 166 166 166 167 VAL VAL VAL PRO N  CA C  N   A 166 166 
166 167 ? ? ? ? . . . . 
201 1 220 8  2.5   1 A 164 165 165 165 THR GLU GLU GLU C  N  CA C   A 164 165 
165 165 ? ? ? ? . . . . 
202 1 216 11 2.5   1 A 160 161 161 161 ASP VAL VAL VAL C  N  CA C   A 160 161 
161 161 ? ? ? ? . . . . 
203 1 21  16 2.5   1 A 11  12  12  12  ASP GLU GLU GLU C  N  CA C   A 11  12  
12  12  ? ? ? ? . . . . 
204 1 172 15 2.5   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
205 1 167 2  2.5   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
206 1 84  14 2.4   1 A 83  83  83  84  GLU GLU GLU ASP N  CA C  N   A 83  83  
83  84  ? ? ? ? . . . . 
207 1 54  8  2.4   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N   A 38  38  
38  39  ? ? ? ? . . . . 
208 1 43  8  2.4   1 A 32  33  33  33  GLY LYS LYS LYS C  N  CA C   A 32  33  
33  33  ? ? ? ? . . . . 
209 1 36  3  2.4   1 A 28  28  28  29  TYR TYR TYR GLU N  CA C  N   A 28  28  
28  29  ? ? ? ? . . . . 
210 1 36  16 2.4   1 A 28  28  28  29  TYR TYR TYR GLU N  CA C  N   A 28  28  
28  29  ? ? ? ? . . . . 
211 1 251 6  2.4   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
212 1 243 16 2.4   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
213 1 230 9  2.4   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
214 1 230 18 2.4   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
215 1 202 15 2.4   1 A 152 153 153 153 GLN VAL VAL VAL C  N  CA C   A 152 153 
153 153 ? ? ? ? . . . . 
216 1 19  8  2.4   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
217 1 19  17 2.4   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
218 1 183 9  2.4   1 A 137 137 137 138 ALA ALA ALA PHE N  CA C  N   A 137 137 
137 138 ? ? ? ? . . . . 
219 1 167 20 2.4   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
220 1 9   16 2.3   1 A 5   6   6   6   LYS ASP ASP ASP C  N  CA C   A 5   6   
6   6   ? ? ? ? . . . . 
221 1 83  14 2.3   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
222 1 6   19 2.3   1 A 4   4   4   5   TYR TYR TYR LYS N  CA C  N   A 4   4   
4   5   ? ? ? ? . . . . 
223 1 53  7  2.3   1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C   A 37  38  
38  38  ? ? ? ? . . . . 
224 1 52  1  2.3   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
225 1 50  3  2.3   1 A 36  36  36  37  VAL VAL VAL ARG N  CA C  N   A 36  36  
36  37  ? ? ? ? . . . . 
226 1 3   13 2.3   1 A 2   3   3   3   LEU ILE ILE ILE C  N  CA C   A 2   3   
3   3   ? ? ? ? . . . . 
227 1 253 13 2.3   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
228 1 243 8  2.3   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
229 1 24  6  2.3   1 A 14  14  14  15  SER SER SER SER N  CA C  N   A 14  14  
14  15  ? ? ? ? . . . . 
230 1 230 12 2.3   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
231 1 223 6  2.3   1 A 166 166 166 167 VAL VAL VAL PRO N  CA C  N   A 166 166 
166 167 ? ? ? ? . . . . 
232 1 19  19 2.3   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
233 1 14  5  2.3   1 A 8   8   8   9   PHE PHE PHE THR N  CA C  N   A 8   8   
8   9   ? ? ? ? . . . . 
234 1 129 15 2.3   1 A 105 106 106 106 LYS ASN ASN ASN C  N  CA C   A 105 106 
106 106 ? ? ? ? . . . . 
235 1 86  8  2.2   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
236 1 86  14 2.2   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
237 1 55  13 2.2   1 A 65  66  66  66  GLU ARG ARG ARG C  N  CA C   A 65  66  
66  66  ? ? ? ? . . . . 
238 1 4   8  2.2   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
239 1 36  15 2.2   1 A 28  28  28  29  TYR TYR TYR GLU N  CA C  N   A 28  28  
28  29  ? ? ? ? . . . . 
240 1 25  5  2.2   1 A 19  20  20  20  PRO MET MET MET C  N  CA C   A 19  20  
20  20  ? ? ? ? . . . . 
241 1 230 8  2.2   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
242 1 22  8  2.2   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
243 1 207 11 2.2   1 A 155 155 155 156 ILE ILE ILE ILE N  CA C  N   A 155 155 
155 156 ? ? ? ? . . . . 
244 1 207 12 2.2   1 A 155 155 155 156 ILE ILE ILE ILE N  CA C  N   A 155 155 
155 156 ? ? ? ? . . . . 
245 1 2   14 2.2   1 A 2   2   2   3   LEU LEU LEU ILE N  CA C  N   A 2   2   
2   3   ? ? ? ? . . . . 
246 1 19  5  2.2   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
247 1 54  3  2.1   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N   A 38  38  
38  39  ? ? ? ? . . . . 
248 1 53  10 2.1   1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C   A 37  38  
38  38  ? ? ? ? . . . . 
249 1 52  12 2.1   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
250 1 279 15 2.1   1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG CD1 A 82  82  
82  82  ? ? ? ? . . . . 
251 1 253 6  2.1   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
252 1 25  2  2.1   1 A 19  20  20  20  PRO MET MET MET C  N  CA C   A 19  20  
20  20  ? ? ? ? . . . . 
253 1 243 9  2.1   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
254 1 24  17 2.1   1 A 14  14  14  15  SER SER SER SER N  CA C  N   A 14  14  
14  15  ? ? ? ? . . . . 
255 1 230 13 2.1   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
256 1 227 9  2.1   1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C   A 168 169 
169 169 ? ? ? ? . . . . 
257 1 21  19 2.1   1 A 11  12  12  12  ASP GLU GLU GLU C  N  CA C   A 11  12  
12  12  ? ? ? ? . . . . 
258 1 200 11 2.1   1 A 151 152 152 152 GLY GLN GLN GLN C  N  CA C   A 151 152 
152 152 ? ? ? ? . . . . 
259 1 2   19 2.1   1 A 2   2   2   3   LEU LEU LEU ILE N  CA C  N   A 2   2   
2   3   ? ? ? ? . . . . 
260 1 171 1  2.1   1 A 131 131 131 132 ASP ASP ASP ARG N  CA C  N   A 131 131 
131 132 ? ? ? ? . . . . 
261 1 167 13 2.1   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
262 1 82  6  2.0   1 A 82  82  82  83  TYR TYR TYR GLU N  CA C  N   A 82  82  
82  83  ? ? ? ? . . . . 
263 1 8   20 2.0   1 A 5   5   5   6   LYS LYS LYS ASP N  CA C  N   A 5   5   
5   6   ? ? ? ? . . . . 
264 1 72  5  2.0   1 A 75  75  75  76  LYS LYS LYS LEU N  CA C  N   A 75  75  
75  76  ? ? ? ? . . . . 
265 1 48  17 2.0   1 A 35  35  35  36  VAL VAL VAL VAL N  CA C  N   A 35  35  
35  36  ? ? ? ? . . . . 
266 1 4   19 2.0   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
267 1 38  17 2.0   1 A 29  29  29  30  GLU GLU GLU PHE N  CA C  N   A 29  29  
29  30  ? ? ? ? . . . . 
268 1 36  17 2.0   1 A 28  28  28  29  TYR TYR TYR GLU N  CA C  N   A 28  28  
28  29  ? ? ? ? . . . . 
269 1 35  7  2.0   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
270 1 279 18 2.0   1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG CD1 A 82  82  
82  82  ? ? ? ? . . . . 
271 1 243 6  2.0   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
272 1 243 7  2.0   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
273 1 230 5  2.0   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
274 1 220 4  2.0   1 A 164 165 165 165 THR GLU GLU GLU C  N  CA C   A 164 165 
165 165 ? ? ? ? . . . . 
275 1 2   3  2.0   1 A 2   2   2   3   LEU LEU LEU ILE N  CA C  N   A 2   2   
2   3   ? ? ? ? . . . . 
276 1 2   8  2.0   1 A 2   2   2   3   LEU LEU LEU ILE N  CA C  N   A 2   2   
2   3   ? ? ? ? . . . . 
277 1 199 20 2.0   1 A 146 146 146 147 GLU GLU GLU GLY N  CA C  N   A 146 146 
146 147 ? ? ? ? . . . . 
278 1 19  13 2.0   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
279 1 167 1  2.0   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
280 1 167 11 2.0   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
281 1 83  5  1.9   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
282 1 77  16 1.9   1 A 78  79  79  79  GLU MET MET MET C  N  CA C   A 78  79  
79  79  ? ? ? ? . . . . 
283 1 57  12 1.9   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
284 1 54  20 1.9   1 A 38  38  38  39  LYS LYS LYS GLU N  CA C  N   A 38  38  
38  39  ? ? ? ? . . . . 
285 1 51  11 1.9   1 A 36  37  37  37  VAL ARG ARG ARG C  N  CA C   A 36  37  
37  37  ? ? ? ? . . . . 
286 1 255 7  1.9   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
287 1 255 8  1.9   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
288 1 253 11 1.9   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
289 1 251 1  1.9   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
290 1 247 6  1.9   1 A 179 179 179 180 GLU GLU GLU LYS N  CA C  N   A 179 179 
179 180 ? ? ? ? . . . . 
291 1 242 3  1.9   1 A 176 177 177 177 ILE ILE ILE ILE C  N  CA C   A 176 177 
177 177 ? ? ? ? . . . . 
292 1 230 1  1.9   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
293 1 230 20 1.9   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
294 1 23  1  1.9   1 A 13  14  14  14  LEU SER SER SER C  N  CA C   A 13  14  
14  14  ? ? ? ? . . . . 
295 1 23  12 1.9   1 A 13  14  14  14  LEU SER SER SER C  N  CA C   A 13  14  
14  14  ? ? ? ? . . . . 
296 1 213 16 1.9   1 A 158 158 158 159 TYR TYR TYR ARG N  CA C  N   A 158 158 
158 159 ? ? ? ? . . . . 
297 1 198 20 1.9   1 A 145 146 146 146 ALA GLU GLU GLU C  N  CA C   A 145 146 
146 146 ? ? ? ? . . . . 
298 1 180 12 1.9   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
299 1 16  10 1.9   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
300 1 129 17 1.9   1 A 105 106 106 106 LYS ASN ASN ASN C  N  CA C   A 105 106 
106 106 ? ? ? ? . . . . 
301 1 86  5  1.8   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
302 1 86  7  1.8   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
303 1 86  10 1.8   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
304 1 83  6  1.8   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
305 1 83  11 1.8   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
306 1 78  20 1.8   1 A 79  79  79  80  MET MET MET ASN N  CA C  N   A 79  79  
79  80  ? ? ? ? . . . . 
307 1 4   9  1.8   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
308 1 4   20 1.8   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
309 1 35  11 1.8   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
310 1 279 16 1.8   1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG CD1 A 82  82  
82  82  ? ? ? ? . . . . 
311 1 266 3  1.8   1 A 136 136 136 136 LEU LEU LEU LEU N  CA CB CG  A 136 136 
136 136 ? ? ? ? . . . . 
312 1 249 20 1.8   1 A 180 180 180 181 LYS LYS LYS CYS N  CA C  N   A 180 180 
180 181 ? ? ? ? . . . . 
313 1 248 1  1.8   1 A 179 180 180 180 GLU LYS LYS LYS C  N  CA C   A 179 180 
180 180 ? ? ? ? . . . . 
314 1 230 14 1.8   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
315 1 227 7  1.8   1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C   A 168 169 
169 169 ? ? ? ? . . . . 
316 1 220 2  1.8   1 A 164 165 165 165 THR GLU GLU GLU C  N  CA C   A 164 165 
165 165 ? ? ? ? . . . . 
317 1 214 11 1.8   1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C   A 159 160 
160 160 ? ? ? ? . . . . 
318 1 201 14 1.8   1 A 152 152 152 153 GLN GLN GLN VAL N  CA C  N   A 152 152 
152 153 ? ? ? ? . . . . 
319 1 19  16 1.8   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
320 1 180 18 1.8   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
321 1 167 17 1.8   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
322 1 83  2  1.7   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
323 1 77  10 1.7   1 A 78  79  79  79  GLU MET MET MET C  N  CA C   A 78  79  
79  79  ? ? ? ? . . . . 
324 1 40  20 1.7   1 A 30  30  30  31  PHE PHE PHE LYS N  CA C  N   A 30  30  
30  31  ? ? ? ? . . . . 
325 1 39  17 1.7   1 A 29  30  30  30  GLU PHE PHE PHE C  N  CA C   A 29  30  
30  30  ? ? ? ? . . . . 
326 1 253 15 1.7   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
327 1 253 18 1.7   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
328 1 245 5  1.7   1 A 178 178 178 179 GLU GLU GLU GLU N  CA C  N   A 178 178 
178 179 ? ? ? ? . . . . 
329 1 220 17 1.7   1 A 164 165 165 165 THR GLU GLU GLU C  N  CA C   A 164 165 
165 165 ? ? ? ? . . . . 
330 1 211 19 1.7   1 A 157 157 157 158 GLU GLU GLU TYR N  CA C  N   A 157 157 
157 158 ? ? ? ? . . . . 
331 1 197 8  1.7   1 A 145 145 145 146 ALA ALA ALA GLU N  CA C  N   A 145 145 
145 146 ? ? ? ? . . . . 
332 1 180 15 1.7   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
333 1 172 16 1.7   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
334 1 86  13 1.6   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
335 1 86  16 1.6   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
336 1 78  12 1.6   1 A 79  79  79  80  MET MET MET ASN N  CA C  N   A 79  79  
79  80  ? ? ? ? . . . . 
337 1 6   3  1.6   1 A 4   4   4   5   TYR TYR TYR LYS N  CA C  N   A 4   4   
4   5   ? ? ? ? . . . . 
338 1 40  14 1.6   1 A 30  30  30  31  PHE PHE PHE LYS N  CA C  N   A 30  30  
30  31  ? ? ? ? . . . . 
339 1 38  9  1.6   1 A 29  29  29  30  GLU GLU GLU PHE N  CA C  N   A 29  29  
29  30  ? ? ? ? . . . . 
340 1 286 3  1.6   1 A 88  88  88  88  PHE PHE PHE PHE N  CA CB CG  A 88  88  
88  88  ? ? ? ? . . . . 
341 1 279 6  1.6   1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG CD1 A 82  82  
82  82  ? ? ? ? . . . . 
342 1 255 14 1.6   1 A 19  19  19  20  PRO PRO PRO MET N  CA C  N   A 19  19  
19  20  ? ? ? ? . . . . 
343 1 253 12 1.6   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
344 1 230 15 1.6   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
345 1 230 19 1.6   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
346 1 23  13 1.6   1 A 13  14  14  14  LEU SER SER SER C  N  CA C   A 13  14  
14  14  ? ? ? ? . . . . 
347 1 227 18 1.6   1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C   A 168 169 
169 169 ? ? ? ? . . . . 
348 1 227 19 1.6   1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C   A 168 169 
169 169 ? ? ? ? . . . . 
349 1 220 19 1.6   1 A 164 165 165 165 THR GLU GLU GLU C  N  CA C   A 164 165 
165 165 ? ? ? ? . . . . 
350 1 214 3  1.6   1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C   A 159 160 
160 160 ? ? ? ? . . . . 
351 1 200 14 1.6   1 A 151 152 152 152 GLY GLN GLN GLN C  N  CA C   A 151 152 
152 152 ? ? ? ? . . . . 
352 1 199 1  1.6   1 A 146 146 146 147 GLU GLU GLU GLY N  CA C  N   A 146 146 
146 147 ? ? ? ? . . . . 
353 1 199 17 1.6   1 A 146 146 146 147 GLU GLU GLU GLY N  CA C  N   A 146 146 
146 147 ? ? ? ? . . . . 
354 1 172 14 1.6   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
355 1 171 6  1.6   1 A 131 131 131 132 ASP ASP ASP ARG N  CA C  N   A 131 131 
131 132 ? ? ? ? . . . . 
356 1 131 8  1.6   1 A 108 108 108 109 ARG ARG ARG ASP N  CA C  N   A 108 108 
108 109 ? ? ? ? . . . . 
357 1 78  4  1.5   1 A 79  79  79  80  MET MET MET ASN N  CA C  N   A 79  79  
79  80  ? ? ? ? . . . . 
358 1 57  7  1.5   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
359 1 53  5  1.5   1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C   A 37  38  
38  38  ? ? ? ? . . . . 
360 1 52  8  1.5   1 A 37  37  37  38  ARG ARG ARG LYS N  CA C  N   A 37  37  
37  38  ? ? ? ? . . . . 
361 1 35  14 1.5   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
362 1 3   3  1.5   1 A 2   3   3   3   LEU ILE ILE ILE C  N  CA C   A 2   3   
3   3   ? ? ? ? . . . . 
363 1 293 7  1.5   1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
364 1 230 3  1.5   1 A 170 170 170 171 MET MET MET LEU N  CA C  N   A 170 170 
170 171 ? ? ? ? . . . . 
365 1 22  7  1.5   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
366 1 22  11 1.5   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
367 1 214 2  1.5   1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C   A 159 160 
160 160 ? ? ? ? . . . . 
368 1 214 4  1.5   1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C   A 159 160 
160 160 ? ? ? ? . . . . 
369 1 199 14 1.5   1 A 146 146 146 147 GLU GLU GLU GLY N  CA C  N   A 146 146 
146 147 ? ? ? ? . . . . 
370 1 171 19 1.5   1 A 131 131 131 132 ASP ASP ASP ARG N  CA C  N   A 131 131 
131 132 ? ? ? ? . . . . 
371 1 167 18 1.5   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
372 1 15  5  1.5   1 A 8   9   9   9   PHE THR THR THR C  N  CA C   A 8   9   
9   9   ? ? ? ? . . . . 
373 1 83  1  1.4   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
374 1 83  12 1.4   1 A 82  83  83  83  TYR GLU GLU GLU C  N  CA C   A 82  83  
83  83  ? ? ? ? . . . . 
375 1 82  7  1.4   1 A 82  82  82  83  TYR TYR TYR GLU N  CA C  N   A 82  82  
82  83  ? ? ? ? . . . . 
376 1 55  12 1.4   1 A 65  66  66  66  GLU ARG ARG ARG C  N  CA C   A 65  66  
66  66  ? ? ? ? . . . . 
377 1 35  4  1.4   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
378 1 293 3  1.4   1 A 30  30  30  30  PHE PHE PHE PHE CA CB CG CD1 A 30  30  
30  30  ? ? ? ? . . . . 
379 1 28  10 1.4   1 A 21  21  21  22  LYS LYS LYS LEU N  CA C  N   A 21  21  
21  22  ? ? ? ? . . . . 
380 1 279 12 1.4   1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG CD1 A 82  82  
82  82  ? ? ? ? . . . . 
381 1 253 17 1.4   1 A 26  26  26  27  LEU LEU LEU VAL N  CA C  N   A 26  26  
26  27  ? ? ? ? . . . . 
382 1 251 7  1.4   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
383 1 243 12 1.4   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
384 1 239 17 1.4   1 A 174 175 175 175 GLU ALA ALA ALA C  N  CA C   A 174 175 
175 175 ? ? ? ? . . . . 
385 1 218 2  1.4   1 A 163 164 164 164 GLY THR THR THR C  N  CA C   A 163 164 
164 164 ? ? ? ? . . . . 
386 1 172 6  1.4   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
387 1 169 6  1.4   1 A 130 130 130 131 LYS LYS LYS ASP N  CA C  N   A 130 130 
130 131 ? ? ? ? . . . . 
388 1 167 12 1.4   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
389 1 86  1  1.3   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
390 1 80  10 1.3   1 A 81  81  81  82  CYS CYS CYS TYR N  CA C  N   A 81  81  
81  82  ? ? ? ? . . . . 
391 1 77  1  1.3   1 A 78  79  79  79  GLU MET MET MET C  N  CA C   A 78  79  
79  79  ? ? ? ? . . . . 
392 1 77  17 1.3   1 A 78  79  79  79  GLU MET MET MET C  N  CA C   A 78  79  
79  79  ? ? ? ? . . . . 
393 1 6   20 1.3   1 A 4   4   4   5   TYR TYR TYR LYS N  CA C  N   A 4   4   
4   5   ? ? ? ? . . . . 
394 1 58  2  1.3   1 A 68  68  68  69  ILE ILE ILE ASP N  CA C  N   A 68  68  
68  69  ? ? ? ? . . . . 
395 1 57  5  1.3   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
396 1 51  20 1.3   1 A 36  37  37  37  VAL ARG ARG ARG C  N  CA C   A 36  37  
37  37  ? ? ? ? . . . . 
397 1 46  18 1.3   1 A 34  34  34  35  HIS HIS HIS VAL N  CA C  N   A 34  34  
34  35  ? ? ? ? . . . . 
398 1 38  18 1.3   1 A 29  29  29  30  GLU GLU GLU PHE N  CA C  N   A 29  29  
29  30  ? ? ? ? . . . . 
399 1 35  10 1.3   1 A 27  28  28  28  VAL TYR TYR TYR C  N  CA C   A 27  28  
28  28  ? ? ? ? . . . . 
400 1 3   6  1.3   1 A 2   3   3   3   LEU ILE ILE ILE C  N  CA C   A 2   3   
3   3   ? ? ? ? . . . . 
401 1 3   15 1.3   1 A 2   3   3   3   LEU ILE ILE ILE C  N  CA C   A 2   3   
3   3   ? ? ? ? . . . . 
402 1 274 15 1.3   1 A 91  91  91  91  TYR TYR TYR TYR N  CA CB CG  A 91  91  
91  91  ? ? ? ? . . . . 
403 1 252 8  1.3   1 A 25  26  26  26  ASP LEU LEU LEU C  N  CA C   A 25  26  
26  26  ? ? ? ? . . . . 
404 1 252 12 1.3   1 A 25  26  26  26  ASP LEU LEU LEU C  N  CA C   A 25  26  
26  26  ? ? ? ? . . . . 
405 1 251 12 1.3   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
406 1 251 20 1.3   1 A 181 181 181 182 CYS CYS CYS LEU N  CA C  N   A 181 181 
181 182 ? ? ? ? . . . . 
407 1 247 20 1.3   1 A 179 179 179 180 GLU GLU GLU LYS N  CA C  N   A 179 179 
179 180 ? ? ? ? . . . . 
408 1 239 13 1.3   1 A 174 175 175 175 GLU ALA ALA ALA C  N  CA C   A 174 175 
175 175 ? ? ? ? . . . . 
409 1 227 5  1.3   1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C   A 168 169 
169 169 ? ? ? ? . . . . 
410 1 224 5  1.3   1 A 167 167 167 168 PRO PRO PRO THR N  CA C  N   A 167 167 
167 168 ? ? ? ? . . . . 
411 1 223 19 1.3   1 A 166 166 166 167 VAL VAL VAL PRO N  CA C  N   A 166 166 
166 167 ? ? ? ? . . . . 
412 1 222 9  1.3   1 A 165 166 166 166 GLU VAL VAL VAL C  N  CA C   A 165 166 
166 166 ? ? ? ? . . . . 
413 1 22  19 1.3   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
414 1 180 20 1.3   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
415 1 169 7  1.3   1 A 130 130 130 131 LYS LYS LYS ASP N  CA C  N   A 130 130 
130 131 ? ? ? ? . . . . 
416 1 16  2  1.3   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
417 1 86  6  1.2   1 A 84  84  84  85  ASP ASP ASP ALA N  CA C  N   A 84  84  
84  85  ? ? ? ? . . . . 
418 1 77  19 1.2   1 A 78  79  79  79  GLU MET MET MET C  N  CA C   A 78  79  
79  79  ? ? ? ? . . . . 
419 1 72  12 1.2   1 A 75  75  75  76  LYS LYS LYS LEU N  CA C  N   A 75  75  
75  76  ? ? ? ? . . . . 
420 1 57  1  1.2   1 A 67  68  68  68  GLY ILE ILE ILE C  N  CA C   A 67  68  
68  68  ? ? ? ? . . . . 
421 1 53  17 1.2   1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C   A 37  38  
38  38  ? ? ? ? . . . . 
422 1 40  16 1.2   1 A 30  30  30  31  PHE PHE PHE LYS N  CA C  N   A 30  30  
30  31  ? ? ? ? . . . . 
423 1 279 3  1.2   1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG CD1 A 82  82  
82  82  ? ? ? ? . . . . 
424 1 252 6  1.2   1 A 25  26  26  26  ASP LEU LEU LEU C  N  CA C   A 25  26  
26  26  ? ? ? ? . . . . 
425 1 249 7  1.2   1 A 180 180 180 181 LYS LYS LYS CYS N  CA C  N   A 180 180 
180 181 ? ? ? ? . . . . 
426 1 243 5  1.2   1 A 177 177 177 178 ILE ILE ILE GLU N  CA C  N   A 177 177 
177 178 ? ? ? ? . . . . 
427 1 22  2  1.2   1 A 12  12  12  13  GLU GLU GLU LEU N  CA C  N   A 12  12  
12  13  ? ? ? ? . . . . 
428 1 214 17 1.2   1 A 159 160 160 160 ARG ASP ASP ASP C  N  CA C   A 159 160 
160 160 ? ? ? ? . . . . 
429 1 213 7  1.2   1 A 158 158 158 159 TYR TYR TYR ARG N  CA C  N   A 158 158 
158 159 ? ? ? ? . . . . 
430 1 206 12 1.2   1 A 154 155 155 155 ALA ILE ILE ILE C  N  CA C   A 154 155 
155 155 ? ? ? ? . . . . 
431 1 19  3  1.2   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
432 1 183 18 1.2   1 A 137 137 137 138 ALA ALA ALA PHE N  CA C  N   A 137 137 
137 138 ? ? ? ? . . . . 
433 1 182 9  1.2   1 A 136 137 137 137 LEU ALA ALA ALA C  N  CA C   A 136 137 
137 137 ? ? ? ? . . . . 
434 1 180 14 1.2   1 A 135 136 136 136 ASN LEU LEU LEU C  N  CA C   A 135 136 
136 136 ? ? ? ? . . . . 
435 1 17  12 1.2   1 A 9   10  10  10  THR ASP ASP ASP C  N  CA C   A 9   10  
10  10  ? ? ? ? . . . . 
436 1 17  20 1.2   1 A 9   10  10  10  THR ASP ASP ASP C  N  CA C   A 9   10  
10  10  ? ? ? ? . . . . 
437 1 16  16 1.2   1 A 9   9   9   10  THR THR THR ASP N  CA C  N   A 9   9   
9   10  ? ? ? ? . . . . 
438 1 78  8  1.1   1 A 79  79  79  80  MET MET MET ASN N  CA C  N   A 79  79  
79  80  ? ? ? ? . . . . 
439 1 72  10 1.1   1 A 75  75  75  76  LYS LYS LYS LEU N  CA C  N   A 75  75  
75  76  ? ? ? ? . . . . 
440 1 70  3  1.1   1 A 74  74  74  75  HIS HIS HIS LYS N  CA C  N   A 74  74  
74  75  ? ? ? ? . . . . 
441 1 7   5  1.1   1 A 4   5   5   5   TYR LYS LYS LYS C  N  CA C   A 4   5   
5   5   ? ? ? ? . . . . 
442 1 53  14 1.1   1 A 37  38  38  38  ARG LYS LYS LYS C  N  CA C   A 37  38  
38  38  ? ? ? ? . . . . 
443 1 5   4  1.1   1 A 3   4   4   4   ILE TYR TYR TYR C  N  CA C   A 3   4   
4   4   ? ? ? ? . . . . 
444 1 4   13 1.1   1 A 3   3   3   4   ILE ILE ILE TYR N  CA C  N   A 3   3   
3   4   ? ? ? ? . . . . 
445 1 279 9  1.1   1 A 82  82  82  82  TYR TYR TYR TYR CA CB CG CD1 A 82  82  
82  82  ? ? ? ? . . . . 
446 1 275 17 1.1   1 A 91  91  91  91  TYR TYR TYR TYR CA CB CG CD1 A 91  91  
91  91  ? ? ? ? . . . . 
447 1 244 2  1.1   1 A 177 178 178 178 ILE GLU GLU GLU C  N  CA C   A 177 178 
178 178 ? ? ? ? . . . . 
448 1 23  11 1.1   1 A 13  14  14  14  LEU SER SER SER C  N  CA C   A 13  14  
14  14  ? ? ? ? . . . . 
449 1 227 1  1.1   1 A 168 169 169 169 THR LEU LEU LEU C  N  CA C   A 168 169 
169 169 ? ? ? ? . . . . 
450 1 216 16 1.1   1 A 160 161 161 161 ASP VAL VAL VAL C  N  CA C   A 160 161 
161 161 ? ? ? ? . . . . 
451 1 199 19 1.1   1 A 146 146 146 147 GLU GLU GLU GLY N  CA C  N   A 146 146 
146 147 ? ? ? ? . . . . 
452 1 19  1  1.1   1 A 10  11  11  11  ASP ASP ASP ASP C  N  CA C   A 10  11  
11  11  ? ? ? ? . . . . 
453 1 178 17 1.1   1 A 134 135 135 135 LYS ASN ASN ASN C  N  CA C   A 134 135 
135 135 ? ? ? ? . . . . 
454 1 172 18 1.1   1 A 131 132 132 132 ASP ARG ARG ARG C  N  CA C   A 131 132 
132 132 ? ? ? ? . . . . 
455 1 167 6  1.1   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
456 1 167 16 1.1   1 A 128 128 128 129 LEU LEU LEU ALA N  CA C  N   A 128 128 
128 129 ? ? ? ? . . . . 
457 1 11  18 1.1   1 A 6   7   7   7   ASP ILE ILE ILE C  N  CA C   A 6   7   
7   7   ? ? ? ? . . . . 
# 
loop_
_pdbx_validation_software.ordinal 
_pdbx_validation_software.name 
_pdbx_validation_software.version 
_pdbx_validation_software.classification 
_pdbx_validation_software.details 
1  molprobity          4.02b-467 'geometric validation' 
;relative_rama_percentile,bond-outlier,phi,psi,num-H-reduce,clash,angle-outlier,percent-rota-outliers-full-length,percent-rama-outliers-full-length,num_bonds_rmsz,absolute_sidechain_percentile,relative_sidechain_percentile,rota,bonds_rmsz,clashscore-full-length,angles_rmsz,num_angles_rmsz,rama,absolute_rama_percentile
;
2  percentiles         
'20191225.v01 (using entries in the PDB archive December 25th 2019)' 
'percentile rank calculation'                            
;numPDBids-absolute-percentile-clashscore,absolute-percentile-percent-rota-outliers,relative-percentile-clashscore,numPDBids-absolute-percentile-percent-rota-outliers,numPDBids-absolute-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-rota-outliers,numPDBids-relative-percentile-percent-rama-outliers,relative-percentile-percent-rota-outliers,numPDBids-relative-percentile-clashscore,no-percentile-property,relative-percentile-percent-rama-outliers,absolute-percentile-percent-rama-outliers,absolute-percentile-clashscore
;
3  validation-pipeline 2.17.dev9 'mmcif data extractor' 
;PDB-Rfree,chemicalshiftsInputFilename,coordinatesInputFilename,PDB-resolution,cs_only,reflectionsInputFilename,PDB-R,percentilebins,PDB-resolution-low,pdbid,attemptedValidationSteps,XMLcreationDate
;
4  coreclust           2.17.dev9 'assessment of nmr ensemble structure' 
;nmrclust_cluster_id,nmrclust_representative_model,nmrclust_number_of_models,residue_string,medoid_model,cyrange_error,rmsd,nmrclust_representative,number_of_residues,cyrange_version,nmrclust_version,cyrange_domain_id,percentage_of_core,nmrclust_number_of_outliers,cyrange_number_of_domains,nmrclust_number_of_clusters,validate,nmrclust_error,medoid_rmsd,number_of_gaps
;
5  coreclust           unknown 'assessment of nmr ensemble structure' 
nmr_models_consistency_flag 
6  nmrwriter           2.17.dev9 
'geometric validation of nmr ensemble structure'         
clashscore,percent-rota-outliers,percent-rama-outliers 
7  chemicalshifts      2.17.dev9 'assessment of nmr assigned chemical shifts' 
;rci_version,shiftchecker_version,chemical_shift_completeness,panav_version,chemical_shift_completeness_full_length
;
8  cyrange             
;Kirchner and G\"{u}ntert (2011)
;
'domain identification of nmr ensemble structure'        ? 
9  nmrclust            'Kelley et al. (1996)' 
'classification of nmr ensemble structure'               ? 
10 panav               'Wang et al. (2010)' 
'nmr chemical shift validation and reference correction' ? 
11 rci                 'v_1n_11_5_13_A (Berjanski et al., 2005)' 
'random coil index prediction from nmr chemical shifts'  ? 
12 shiftchecker        2.17.dev9 'nmr chemical shift validation' ? 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.clash_magnitude 
_pdbx_validate_close_contact.dist 
1   1  A TYR 4   HB2  A SER 14  HB3  0.52 1.81 
2   1  A ASP 16  HB3  A PHE 18  CE2  0.41 2.50 
3   1  A LYS 21  HB2  A GLU 29  HB2  0.42 1.90 
4   1  A ARG 37  HB3  A GLU 65  HB2  0.48 1.84 
5   1  A LYS 38  HG2  A VAL 64  HG22 0.49 1.85 
6   1  A CYS 81  SG   A LYS 130 HD3  0.45 2.52 
7   1  A LYS 94  HD3  A ASN 150 HA   0.47 1.86 
8   1  A LEU 136 HD23 A GLU 157 HB3  0.46 1.87 
9   2  A TYR 4   HB2  A SER 14  HB3  0.43 1.90 
10  2  A LYS 5   NZ   A GLU 179 HB2  0.45 2.27 
11  2  A ASP 6   O    A ASP 10  HB3  0.47 2.10 
12  2  A LYS 33  HG2  A ASP 69  HB2  0.48 1.85 
13  2  A GLU 65  HG3  A ARG 66  HG2  0.53 1.79 
14  2  A LYS 117 HA   A ILE 120 HG22 0.42 1.92 
15  2  A VAL 124 O    A LEU 128 HG   0.43 2.13 
16  2  A LEU 127 HD21 A ILE 155 HG21 0.46 1.87 
17  3  A MET 1   HG3  A LEU 2   HG   0.42 1.89 
18  3  A ASP 6   O    A ASP 10  HB3  0.45 2.10 
19  3  A ARG 37  HB2  A GLU 65  HB2  0.46 1.88 
20  3  A LYS 38  HB3  A GLU 41  HB3  0.46 1.88 
21  3  A ILE 68  HD12 A PRO 167 HB2  0.56 1.76 
22  3  A VAL 124 O    A LEU 128 HG   0.49 2.08 
23  3  A LEU 127 HA   A ARG 132 HD2  0.46 1.87 
24  3  A LYS 130 HA   A PHE 133 HB2  0.43 1.89 
25  4  A ASP 6   HA   A ALA 175 O    0.45 2.11 
26  4  A VAL 77  HG11 A ALA 145 HB2  0.48 1.84 
27  4  A MET 103 SD   A VAL 113 HG12 0.45 2.51 
28  4  A ASN 107 HD21 A ASP 112 HB3  0.52 1.65 
29  5  A MET 1   SD   A SER 17  N    0.41 2.93 
30  5  A LYS 5   HD2  A ASP 11  HA   0.40 1.93 
31  5  A ASP 6   HB3  A ASP 10  HB2  0.46 1.88 
32  5  A PHE 30  HB3  A LEU 169 HB3  0.56 1.76 
33  5  A ARG 37  HB2  A GLU 65  HB2  0.51 1.83 
34  5  A CYS 81  HG   A PHE 138 HE2  0.41 1.57 
35  5  A CYS 81  SG   A PHE 138 HE2  0.43 2.37 
36  5  A VAL 99  HG11 A VAL 172 HG11 0.40 1.92 
37  5  A PHE 138 HB3  A VAL 153 HG11 0.46 1.88 
38  5  A ALA 154 HA   A LEU 171 HD21 0.51 1.82 
39  5  A LYS 173 HA   A ILE 176 HG22 0.43 1.91 
40  6  A MET 1   HA   A ASP 16  O    0.40 2.16 
41  6  A ILE 3   HB   A GLU 179 HB2  0.42 1.90 
42  6  A VAL 77  HG11 A ALA 145 HB2  0.59 1.74 
43  6  A LEU 127 HD21 A ILE 155 HG21 0.43 1.90 
44  6  A LYS 130 O    A LYS 134 HB2  0.44 2.13 
45  6  A ALA 154 HA   A LEU 171 HD21 0.41 1.91 
46  6  A LYS 180 HD2  A LYS 180 H    0.43 1.73 
47  7  A ILE 3   HB   A GLU 179 HG3  0.41 1.92 
48  7  A GLU 29  HA   A LEU 169 O    0.42 2.14 
49  7  A ARG 37  HB3  A GLU 65  HB2  0.47 1.84 
50  7  A GLU 65  HB3  A LEU 72  HD22 0.47 1.85 
51  7  A ILE 68  O    A LEU 72  HG   0.41 2.16 
52  7  A LEU 76  HB3  A PHE 139 HB3  0.42 1.91 
53  7  A MET 103 SD   A VAL 113 HG12 0.52 2.44 
54  7  A PHE 139 HB2  A ALA 154 HB3  0.50 1.83 
55  8  A ASP 10  O    A LEU 13  HG   0.41 2.16 
56  8  A ARG 37  HB2  A GLU 65  HB2  0.52 1.80 
57  8  A ILE 68  HD12 A PRO 167 HB2  0.42 1.90 
58  8  A ILE 70  HD13 A LEU 169 HB2  0.47 1.87 
59  8  A VAL 99  O    A MET 103 HG2  0.46 2.10 
60  8  A LYS 130 HA   A PHE 133 HB2  0.42 1.92 
61  8  A PHE 133 HA   A LEU 136 HB2  0.41 1.91 
62  8  A ALA 154 HA   A LEU 171 HD21 0.45 1.88 
63  9  A MET 1   SD   A MET 1   N    0.43 2.85 
64  9  A LYS 5   HB2  A ILE 177 HB   0.50 1.82 
65  9  A ARG 37  HB3  A GLU 65  HB2  0.60 1.73 
66  9  A VAL 71  HG13 A LEU 76  HB2  0.47 1.86 
67  9  A LEU 76  HD22 A GLY 141 HA2  0.44 1.89 
68  9  A MET 87  N    A MET 87  SD   0.41 2.94 
69  10 A ILE 3   HG23 A GLU 179 HB3  0.46 1.88 
70  10 A ASP 6   O    A ASP 10  HB3  0.41 2.15 
71  10 A PHE 30  HB3  A LEU 169 HB3  0.54 1.79 
72  10 A ILE 68  O    A LEU 72  HG   0.42 2.13 
73  10 A VAL 77  HG13 A ILE 140 HG23 0.44 1.90 
74  10 A MET 87  N    A MET 87  SD   0.49 2.85 
75  10 A MET 103 SD   A PHE 116 CG   0.42 3.12 
76  10 A MET 103 HA   A ASN 106 ND2  0.47 2.23 
77  10 A VAL 124 O    A LEU 128 HG   0.43 2.14 
78  10 A TYR 158 HB2  A GLU 165 HB2  0.44 1.89 
79  11 A ILE 3   HA   A SER 15  HA   0.46 1.88 
80  11 A TYR 4   HB2  A SER 14  HB2  0.41 1.90 
81  11 A GLU 12  HB2  A ARG 143 HG2  0.46 1.86 
82  11 A PHE 30  HB3  A LEU 169 HB3  0.53 1.79 
83  11 A GLU 39  HG3  A HIS 63  HB3  0.56 1.76 
84  11 A ILE 70  HD13 A LEU 169 HB2  0.43 1.91 
85  11 A LYS 75  HE3  A GLU 142 HG3  0.48 1.85 
86  11 A ALA 129 O    A PHE 133 HB2  0.42 2.14 
87  12 A MET 1   HG3  A CYS 181 SG   0.42 2.53 
88  12 A TYR 4   HB3  A SER 14  HB3  0.55 1.79 
89  12 A PHE 30  HB3  A LEU 169 HB3  0.51 1.83 
90  12 A GLU 65  HB3  A LEU 72  HD22 0.42 1.90 
91  12 A VAL 71  HG13 A LEU 76  HB2  0.46 1.86 
92  12 A VAL 77  HG11 A ALA 145 HB2  0.48 1.85 
93  12 A CYS 81  SG   A PHE 133 CD2  0.41 3.14 
94  12 A VAL 99  HG11 A VAL 172 HG11 0.47 1.87 
95  12 A ASP 101 O    A LYS 105 HG3  0.41 2.16 
96  12 A MET 103 HB3  A VAL 113 HG12 0.42 1.91 
97  12 A LEU 128 HA   A PHE 133 CE1  0.43 2.49 
98  12 A LYS 130 HA   A PHE 133 HB2  0.41 1.93 
99  13 A ASP 6   HB3  A ASP 10  HB3  0.52 1.82 
100 13 A LEU 26  HD22 A LYS 119 HG3  0.53 1.80 
101 13 A VAL 36  HA   A GLU 65  O    0.42 2.14 
102 13 A VAL 71  HG13 A LEU 76  HB2  0.40 1.94 
103 13 A MET 87  SD   A MET 87  N    0.47 2.87 
104 13 A VAL 113 HA   A PHE 116 HB3  0.42 1.91 
105 13 A VAL 124 O    A LEU 128 HG   0.40 2.16 
106 13 A LEU 127 HD21 A ILE 155 HG21 0.47 1.85 
107 13 A LYS 173 HB3  A LYS 173 HZ3  0.47 1.69 
108 14 A ASP 6   HB2  A LEU 13  HG   0.49 1.84 
109 14 A ASP 6   H    A ASP 10  HA   0.56 1.61 
110 14 A ASP 58  HA   A ASP 61  HB2  0.58 1.74 
111 14 A GLU 104 HA   A VAL 113 HG11 0.45 1.87 
112 14 A VAL 124 O    A LEU 128 HG   0.44 2.13 
113 14 A LEU 127 HD21 A ILE 155 HG21 0.46 1.88 
114 14 A LYS 130 O    A LYS 134 HB2  0.43 2.13 
115 15 A ILE 3   HG23 A GLU 179 HB3  0.41 1.92 
116 15 A ILE 68  HD11 A ILE 156 HD12 0.44 1.89 
117 15 A PHE 88  HA   A TYR 91  HD2  0.42 1.75 
118 15 A VAL 124 O    A LEU 128 HG   0.41 2.16 
119 15 A LEU 127 HD21 A ILE 155 HG21 0.42 1.90 
120 15 A TYR 158 HA   A PRO 167 HA   0.40 1.93 
121 16 A LEU 2   HD12 A MET 20  SD   0.42 2.55 
122 16 A ILE 3   HG23 A GLU 179 HB3  0.40 1.93 
123 16 A ASP 6   O    A ASP 10  HB3  0.43 2.12 
124 16 A ILE 68  HD11 A ILE 70  HD12 0.56 1.76 
125 16 A MET 87  N    A MET 87  SD   0.46 2.89 
126 16 A MET 103 SD   A PHE 116 CG   0.48 3.05 
127 16 A ALA 144 HA   A ALA 148 HB3  0.53 1.80 
128 16 A ARG 159 O    A GLU 165 HA   0.43 2.14 
129 17 A MET 1   SD   A ASP 16  HA   0.52 2.44 
130 17 A ASP 16  HB3  A PHE 18  CE2  0.43 2.48 
131 17 A ILE 68  HD11 A ILE 70  HD12 0.58 1.73 
132 17 A ILE 68  HD12 A PRO 167 HB2  0.42 1.91 
133 17 A CYS 81  SG   A PHE 133 O    0.45 2.71 
134 17 A ILE 92  HG13 A LEU 128 HD21 0.54 1.79 
135 17 A ILE 92  HG21 A LEU 128 HD11 0.55 1.76 
136 17 A LYS 130 O    A LYS 134 HG3  0.41 2.16 
137 17 A ARG 143 HH11 A ALA 148 HB2  0.47 1.69 
138 17 A ALA 144 HA   A ALA 148 HB3  0.49 1.83 
139 17 A ALA 154 HA   A LEU 171 HD21 0.44 1.90 
140 18 A TYR 4   HB3  A MET 20  SD   0.62 2.35 
141 18 A GLU 53  HA   A VAL 64  O    0.42 2.15 
142 18 A ILE 68  O    A LEU 72  HG   0.42 2.14 
143 19 A SER 14  HB3  A PHE 18  CE2  0.41 2.51 
144 19 A LEU 26  HD22 A LYS 119 HG3  0.49 1.84 
145 19 A VAL 35  HB   A ILE 42  HD11 0.42 1.91 
146 19 A VAL 35  HA   A LEU 44  HB3  0.47 1.87 
147 19 A VAL 124 O    A LEU 128 HG   0.41 2.15 
148 19 A TYR 158 HA   A PRO 167 HA   0.40 1.93 
149 20 A GLU 12  HG3  A GLY 141 HA3  0.42 1.92 
150 20 A PRO 19  HB2  A LYS 31  HB2  0.41 1.93 
151 20 A MET 20  SD   A TYR 28  CD1  0.46 3.08 
152 20 A PHE 30  HB3  A LEU 169 HB3  0.41 1.91 
153 20 A VAL 36  HG22 A LEU 44  HA   0.51 1.82 
154 20 A ARG 37  HB2  A LEU 72  HD13 0.54 1.78 
155 20 A MET 103 SD   A VAL 113 HG12 0.65 2.31 
156 20 A GLU 104 HA   A VAL 113 HG11 0.51 1.82 
157 20 A GLU 104 O    A ARG 108 HB2  0.44 2.12 
158 20 A ALA 144 HA   A ALA 148 HB3  0.43 1.90 
159 20 A TYR 158 HB2  A GLU 165 HB3  0.41 1.92 
#