5u9b-validation-alt.cif

data_5U9B-validation-alt
# 
_entry.id   5U9B 
# 
_pdbx_nmr_assigned_chem_shift_list.id                            1 
_pdbx_nmr_assigned_chem_shift_list.data_file_name                5u9b_cs.str 
_pdbx_nmr_assigned_chem_shift_list.label                         
chemical_shifts_zf12RNA_str.txt 
_pdbx_nmr_assigned_chem_shift_list.nmr_star_consistency_flag     Y 
_pdbx_nmr_assigned_chem_shift_list.number_chem_shifts            939 
_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     939 
_pdbx_nmr_assigned_chem_shift_list.number_parsed_chem_shifts     939 
_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 ASP 10 0.065 
1 2  A THR 11 0.049 
1 3  A LYS 12 0.028 
1 4  A TRP 13 0.025 
1 5  A LEU 14 0.023 
1 6  A THR 15 0.030 
1 7  A LEU 16 0.037 
1 8  A GLU 17 0.047 
1 9  A VAL 18 0.043 
1 10 A CYS 19 0.033 
1 11 A ALA 2  0.290 
1 12 A ARG 20 0.020 
1 13 A GLU 21 0.015 
1 14 A PHE 22 0.016 
1 15 A GLN 23 0.024 
1 16 A ARG 24 0.045 
1 17 A GLY 25 0.052 
1 18 A THR 26 0.055 
1 19 A CYS 27 0.048 
1 20 A SER 28 0.044 
1 21 A ARG 29 0.032 
1 22 A VAL 3  0.262 
1 23 A PRO 30 0.017 
1 24 A ASP 31 0.012 
1 25 A THR 32 0.014 
1 26 A GLU 33 0.018 
1 27 A CYS 34 0.024 
1 28 A LYS 35 0.027 
1 29 A PHE 36 0.027 
1 30 A ALA 37 0.022 
1 31 A HIS 38 0.017 
1 32 A PRO 39 0.017 
1 33 A SER 4  0.218 
1 34 A SER 40 0.029 
1 35 A LYS 41 0.035 
1 36 A SER 42 0.049 
1 37 A CYS 43 0.050 
1 38 A GLN 44 0.057 
1 39 A VAL 45 0.048 
1 40 A GLU 46 0.042 
1 41 A ASN 47 0.031 
1 42 A GLY 48 0.025 
1 43 A ARG 49 0.019 
1 44 A VAL 5  0.135 
1 45 A VAL 50 0.020 
1 46 A ILE 51 0.038 
1 47 A ALA 52 0.037 
1 48 A CYS 53 0.033 
1 49 A PHE 54 0.012 
1 50 A ASP 55 0.011 
1 51 A SER 56 0.012 
1 52 A LEU 57 0.017 
1 53 A LYS 58 0.023 
1 54 A GLY 59 0.034 
1 55 A THR 6  0.076 
1 56 A ARG 60 0.038 
1 57 A CYS 61 0.045 
1 58 A SER 62 0.042 
1 59 A ARG 63 0.047 
1 60 A GLU 64 0.043 
1 61 A ASN 65 0.050 
1 62 A CYS 66 0.041 
1 63 A LYS 67 0.038 
1 64 A TYR 68 0.024 
1 65 A LEU 69 0.025 
1 66 A PRO 7  0.030 
1 67 A HIS 70 0.022 
1 68 A PRO 71 0.020 
1 69 A PRO 72 0.015 
1 70 A PRO 73 0.012 
1 71 A HIS 74 0.014 
1 72 A LEU 75 0.016 
1 73 A LYS 76 0.016 
1 74 A THR 77 0.015 
1 75 A GLN 78 0.017 
1 76 A LEU 79 0.019 
1 77 A ILE 8  0.045 
1 78 A GLU 80 0.020 
1 79 A ILE 81 0.019 
1 80 A ASN 82 0.019 
1 81 A GLY 83 0.021 
1 82 A ARG 84 0.026 
1 83 A ASN 85 0.033 
1 84 A ASN 86 0.045 
1 85 A LEU 87 0.061 
1 86 A ILE 88 0.057 
1 87 A GLN 89 0.049 
1 88 A ARG 9  0.063 
1 89 A GLN 90 0.030 
1 90 A LYS 91 0.035 
1 91 A ASN 92 0.036 
# 
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            207 286  79  271 396  125 
1 backbone     H            132 137  5   169 178  9   
1 overall      H            361 615  254 462 766  304 
1 aromatic     H            22  37   15  22  37   15  
1 sugar        H            0   90   90  0   90   90  
1 base         H            0   65   65  0   65   65  
1 sidechain    C            138 166  28  182 227  45  
1 backbone     C            70  142  72  90  184  94  
1 overall      C            227 438  211 291 541  250 
1 aromatic     C            19  27   8   19  27   8   
1 sugar        C            0   75   75  0   75   75  
1 base         C            0   28   28  0   28   28  
1 sidechain    Total        349 478  129 459 665  206 
1 backbone     Total        263 345  82  337 448  111 
1 overall      Total        654 1167 513 838 1457 619 
1 aromatic     Total        42  69   27  42  69   27  
1 sugar        Total        0   165  165 0   165  165 
1 base         Total        0   110  110 0   110  110 
1 stereomethyl stereomethyl 9   9    0   12  12   0   
1 sidechain    N            4   26   22  6   42   36  
1 backbone     N            61  66   5   78  86   8   
1 overall      N            66  114  48  85  150  65  
1 aromatic     N            1   5    4   1   5    4   
1 base         N            0   17   17  0   17   17  
# 
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 0.23  0.50 0.17 84 
1 C  0.00  0.50 0.00 0  
1 CA 0.09  0.50 0.13 90 
1 N  -0.94 0.50 0.63 78 
# 
loop_
_pdbx_validate_nmr_chem_shift.list_id 
_pdbx_validate_nmr_chem_shift.id 
_pdbx_validate_nmr_chem_shift.auth_asym_id 
_pdbx_validate_nmr_chem_shift.auth_comp_id 
_pdbx_validate_nmr_chem_shift.auth_seq_id 
_pdbx_validate_nmr_chem_shift.auth_atom_id 
_pdbx_validate_nmr_chem_shift.val 
_pdbx_validate_nmr_chem_shift.target_val 
_pdbx_validate_nmr_chem_shift.Zscore 
_pdbx_validate_nmr_chem_shift.method 
1 1 A LEU 14 HG -0.937 1.510  -7.415 shiftchecker 
1 2 A PRO 30 CB 62.563 31.840 25.818 shiftchecker 
1 3 A PRO 39 CB 62.597 31.840 25.846 shiftchecker 
1 4 A PRO 7  CB 62.264 31.840 25.566 shiftchecker 
1 5 A PRO 73 CB 62.563 31.840 25.818 shiftchecker 
# 
_pdbx_percentile_list.entry_id   5U9B 
_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 
5U9B 1 RNA_suiteness_score          absolute 10.4  
5U9B 2 RNA_suiteness_score          relative 24.0  
5U9B 3 all_atom_clashscore          absolute 99.9  
5U9B 4 all_atom_clashscore          relative 100.0 
5U9B 5 Ramachandran_outlier_percent absolute 56.5  
5U9B 6 Ramachandran_outlier_percent relative 86.2  
5U9B 7 rotamer_outliers_percent     absolute 52.6  
5U9B 8 rotamer_outliers_percent     relative 91.6  
# 
loop_
_pdbx_percentile_conditions.id 
_pdbx_percentile_conditions.number_entries_total 
1 3744   
2 647    
3 136279 
4 12091  
5 132675 
6 10835  
7 132484 
8 10811  
# 
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 
5 Ramachandran_outlier_percent A 1  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 1  1 A relative 100.00 
7 rotamer_outliers_percent     A 1  1 A absolute 73.53  
8 rotamer_outliers_percent     A 1  1 A relative 73.53  
5 Ramachandran_outlier_percent A 2  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 2  1 A relative 100.00 
7 rotamer_outliers_percent     A 2  1 A absolute 21.47  
8 rotamer_outliers_percent     A 2  1 A relative 21.47  
5 Ramachandran_outlier_percent A 3  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 3  1 A relative 100.00 
7 rotamer_outliers_percent     A 3  1 A absolute 100.00 
8 rotamer_outliers_percent     A 3  1 A relative 100.00 
5 Ramachandran_outlier_percent A 4  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 4  1 A relative 100.00 
7 rotamer_outliers_percent     A 4  1 A absolute 21.47  
8 rotamer_outliers_percent     A 4  1 A relative 21.47  
5 Ramachandran_outlier_percent A 5  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 5  1 A relative 100.00 
7 rotamer_outliers_percent     A 5  1 A absolute 38.87  
8 rotamer_outliers_percent     A 5  1 A relative 38.87  
5 Ramachandran_outlier_percent A 6  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 6  1 A relative 100.00 
7 rotamer_outliers_percent     A 6  1 A absolute 28.74  
8 rotamer_outliers_percent     A 6  1 A relative 28.74  
5 Ramachandran_outlier_percent A 7  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 7  1 A relative 100.00 
7 rotamer_outliers_percent     A 7  1 A absolute 38.87  
8 rotamer_outliers_percent     A 7  1 A relative 38.87  
5 Ramachandran_outlier_percent A 8  1 A absolute 100.00 
6 Ramachandran_outlier_percent A 8  1 A relative 100.00 
7 rotamer_outliers_percent     A 8  1 A absolute 51.82  
8 rotamer_outliers_percent     A 8  1 A relative 51.82  
5 Ramachandran_outlier_percent A 9  1 A absolute 7.18   
6 Ramachandran_outlier_percent A 9  1 A relative 7.18   
7 rotamer_outliers_percent     A 9  1 A absolute 51.82  
8 rotamer_outliers_percent     A 9  1 A relative 51.82  
5 Ramachandran_outlier_percent A 10 1 A absolute 15.56  
6 Ramachandran_outlier_percent A 10 1 A relative 15.56  
7 rotamer_outliers_percent     A 10 1 A absolute 51.82  
8 rotamer_outliers_percent     A 10 1 A relative 51.82  
5 Ramachandran_outlier_percent A 11 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 11 1 A relative 100.00 
7 rotamer_outliers_percent     A 11 1 A absolute 51.82  
8 rotamer_outliers_percent     A 11 1 A relative 51.82  
5 Ramachandran_outlier_percent A 12 1 A absolute 7.18   
6 Ramachandran_outlier_percent A 12 1 A relative 7.18   
7 rotamer_outliers_percent     A 12 1 A absolute 51.82  
8 rotamer_outliers_percent     A 12 1 A relative 51.82  
5 Ramachandran_outlier_percent A 13 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 13 1 A relative 100.00 
7 rotamer_outliers_percent     A 13 1 A absolute 21.47  
8 rotamer_outliers_percent     A 13 1 A relative 21.47  
5 Ramachandran_outlier_percent A 14 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 14 1 A relative 100.00 
7 rotamer_outliers_percent     A 14 1 A absolute 51.82  
8 rotamer_outliers_percent     A 14 1 A relative 51.82  
5 Ramachandran_outlier_percent A 15 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 15 1 A relative 100.00 
7 rotamer_outliers_percent     A 15 1 A absolute 51.82  
8 rotamer_outliers_percent     A 15 1 A relative 51.82  
5 Ramachandran_outlier_percent A 16 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 16 1 A relative 100.00 
7 rotamer_outliers_percent     A 16 1 A absolute 21.47  
8 rotamer_outliers_percent     A 16 1 A relative 21.47  
5 Ramachandran_outlier_percent A 17 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 17 1 A relative 100.00 
7 rotamer_outliers_percent     A 17 1 A absolute 38.87  
8 rotamer_outliers_percent     A 17 1 A relative 38.87  
5 Ramachandran_outlier_percent A 18 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 18 1 A relative 100.00 
7 rotamer_outliers_percent     A 18 1 A absolute 73.53  
8 rotamer_outliers_percent     A 18 1 A relative 73.53  
5 Ramachandran_outlier_percent A 19 1 A absolute 15.56  
6 Ramachandran_outlier_percent A 19 1 A relative 15.56  
7 rotamer_outliers_percent     A 19 1 A absolute 21.47  
8 rotamer_outliers_percent     A 19 1 A relative 21.47  
5 Ramachandran_outlier_percent A 20 1 A absolute 100.00 
6 Ramachandran_outlier_percent A 20 1 A relative 100.00 
7 rotamer_outliers_percent     A 20 1 A absolute 51.82  
8 rotamer_outliers_percent     A 20 1 A relative 51.82  
# 
_pdbx_dcc_geometry.entry_id                                       5U9B 
_pdbx_dcc_geometry.RNA_suiteness_score                            0.16 
_pdbx_dcc_geometry.Ramachandran_outlier_percent                   0.33 
_pdbx_dcc_geometry.Ramachandran_outlier_percent_nmr_well_formed   0.14 
_pdbx_dcc_geometry.all_atom_clashscore                            0.08 
_pdbx_dcc_geometry.all_atom_clashscore_nmr_well_formed            0.00 
_pdbx_dcc_geometry.angle_overall_rmsz                             1.56 
_pdbx_dcc_geometry.bond_overall_rmsz                              0.95 
_pdbx_dcc_geometry.number_angles                                  30580 
_pdbx_dcc_geometry.number_bonds                                   21720 
_pdbx_dcc_geometry.rotamer_outliers_percent                       3.29 
_pdbx_dcc_geometry.rotamer_outliers_percent_nmr_well_formed       2.62 
# 
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 1.05 0.66 1009 749 
A 2  1 A 1.09 0.67 1009 749 
A 3  1 A 1.03 0.66 1009 749 
A 4  1 A 1.06 0.67 1009 749 
A 5  1 A 1.04 0.66 1009 749 
A 6  1 A 1.05 0.67 1009 749 
A 7  1 A 1.06 0.67 1009 749 
A 8  1 A 1.04 0.67 1009 749 
A 9  1 A 1.06 0.67 1009 749 
A 10 1 A 1.07 0.66 1009 749 
A 11 1 A 1.03 0.66 1009 749 
A 12 1 A 1.04 0.66 1009 749 
A 13 1 A 1.06 0.67 1009 749 
A 14 1 A 1.03 0.66 1009 749 
A 15 1 A 1.04 0.66 1009 749 
A 16 1 A 1.05 0.67 1009 749 
A 17 1 A 1.03 0.67 1009 749 
A 18 1 A 1.03 0.67 1009 749 
A 19 1 A 1.10 0.67 1009 749 
A 20 1 A 1.05 0.67 1009 749 
B 1  2 B 2.41 1.43 520  337 
B 2  2 B 2.31 1.39 520  337 
B 3  2 B 2.28 1.36 520  337 
B 4  2 B 2.24 1.38 520  337 
B 5  2 B 2.11 1.37 520  337 
B 6  2 B 2.16 1.37 520  337 
B 7  2 B 2.33 1.41 520  337 
B 8  2 B 2.16 1.39 520  337 
B 9  2 B 2.35 1.40 520  337 
B 10 2 B 2.23 1.40 520  337 
B 11 2 B 2.29 1.40 520  337 
B 12 2 B 2.29 1.41 520  337 
B 13 2 B 2.28 1.43 520  337 
B 14 2 B 2.17 1.39 520  337 
B 15 2 B 2.20 1.40 520  337 
B 16 2 B 2.31 1.42 520  337 
B 17 2 B 2.25 1.37 520  337 
B 18 2 B 2.16 1.39 520  337 
B 19 2 B 2.25 1.41 520  337 
B 20 2 B 2.11 1.38 520  337 
# 
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  mpp?    ?      ?      ?       
2    1  A ALA 2  ?       -141.3 15.5   Favored 
3    1  A VAL 3  m       -138.2 163.2  Favored 
4    1  A SER 4  p       -148.3 156.6  Favored 
5    1  A VAL 5  p       -139.3 148.0  Favored 
6    1  A THR 6  m       -62.5  135.8  Favored 
7    1  A PRO 7  Cg_exo  -51.6  -32.3  Favored 
8    1  A ILE 8  pt      -120.0 160.0  Favored 
9    1  A ARG 9  mtt180  -60.5  131.3  Favored 
10   1  A ASP 10 t70     -79.1  99.7   Favored 
11   1  A THR 11 p       -70.3  -16.7  Favored 
12   1  A LYS 12 mttm    -56.9  -30.0  Favored 
13   1  A TRP 13 p-90    -82.0  -12.1  Favored 
14   1  A LEU 14 mt      -107.4 -15.4  Favored 
15   1  A THR 15 p       -79.8  150.4  Favored 
16   1  A LEU 16 mt      -131.0 147.5  Favored 
17   1  A GLU 17 tt0     -81.4  137.6  Favored 
18   1  A VAL 18 t       -82.5  139.2  Favored 
19   1  A CYS 19 t       -56.8  132.6  Favored 
20   1  A ARG 20 mmp_?   -63.0  -37.8  Favored 
21   1  A GLU 21 mt-10   -80.0  -28.7  Favored 
22   1  A PHE 22 t80     -63.5  -42.2  Favored 
23   1  A GLN 23 mt-30   -66.0  -16.2  Favored 
24   1  A ARG 24 mtp180  -105.6 -5.8   Favored 
25   1  A GLY 25 ?       70.8   28.8   Favored 
26   1  A THR 26 p       -118.1 -8.9   Favored 
27   1  A CYS 27 t       -70.7  150.1  Favored 
28   1  A SER 28 m       -140.0 59.7   Allowed 
29   1  A ARG 29 mtt180  -154.3 149.0  Favored 
30   1  A PRO 30 Cg_endo -72.2  159.7  Favored 
31   1  A ASP 31 t70     -51.8  -31.2  Favored 
32   1  A THR 32 m       -68.7  -22.5  Favored 
33   1  A GLU 33 tp10    -120.0 -19.1  Favored 
34   1  A CYS 34 t       -72.6  160.2  Favored 
35   1  A LYS 35 tptm    -73.0  -20.4  Favored 
36   1  A PHE 36 m-85    -132.4 -179.9 Favored 
37   1  A ALA 37 ?       -89.8  145.6  Favored 
38   1  A HIS 38 m170    -120.1 75.0   Favored 
39   1  A PRO 39 Cg_endo -69.2  165.1  Favored 
40   1  A SER 40 p       -100.1 172.7  Favored 
41   1  A LYS 41 mttp    -62.5  -19.1  Favored 
42   1  A SER 42 m       -89.2  -16.0  Favored 
43   1  A CYS 43 m       -74.0  150.0  Favored 
44   1  A GLN 44 mm-40   -79.2  51.4   Allowed 
45   1  A VAL 45 t       -63.6  134.2  Favored 
46   1  A GLU 46 tp10    -152.8 134.7  Favored 
47   1  A ASN 47 t30     43.0   38.5   Allowed 
48   1  A GLY 48 ?       76.7   20.3   Favored 
49   1  A ARG 49 mmt-85  -134.9 160.9  Favored 
50   1  A VAL 50 t       -146.5 140.6  Favored 
51   1  A ILE 51 mt      -75.1  128.0  Favored 
52   1  A ALA 52 ?       -88.1  150.1  Favored 
53   1  A CYS 53 t       -67.3  110.6  Favored 
54   1  A PHE 54 t80     -52.5  -48.0  Favored 
55   1  A ASP 55 m-20    -61.8  -40.5  Favored 
56   1  A SER 56 t       -68.2  -40.8  Favored 
57   1  A LEU 57 mt      -59.0  -32.9  Favored 
58   1  A LYS 58 mmtm    -83.6  0.2    Favored 
59   1  A GLY 59 ?       90.0   8.5    Favored 
60   1  A ARG 60 tpp85   -155.0 90.7   Allowed 
61   1  A CYS 61 t       -55.2  144.1  Favored 
62   1  A SER 62 m       -118.7 19.9   Favored 
63   1  A ARG 63 mpt_?   -130.2 179.8  Favored 
64   1  A GLU 64 OUTLIER -124.5 -16.7  Favored 
65   1  A ASN 65 t30     -157.7 57.5   Allowed 
66   1  A CYS 66 p       -79.8  148.3  Favored 
67   1  A LYS 67 pttt    -77.4  -7.7   Favored 
68   1  A TYR 68 m-85    -90.0  169.5  Favored 
69   1  A LEU 69 tp      -84.7  135.2  Favored 
70   1  A HIS 70 m170    -102.7 104.7  Favored 
71   1  A PRO 71 Cg_endo -88.4  162.1  Favored 
72   1  A PRO 72 Cg_endo -71.8  159.6  Favored 
73   1  A PRO 73 Cg_exo  -43.9  -41.5  Favored 
74   1  A HIS 74 p-80    -64.2  -43.1  Favored 
75   1  A LEU 75 mt      -72.7  -33.5  Favored 
76   1  A LYS 76 mttt    -58.5  -44.1  Favored 
77   1  A THR 77 m       -63.7  -45.1  Favored 
78   1  A GLN 78 mm100   -61.6  -39.1  Favored 
79   1  A LEU 79 tm?     -65.9  -46.1  Favored 
80   1  A GLU 80 mt-10   -62.6  -35.9  Favored 
81   1  A ILE 81 mt      -62.7  -42.3  Favored 
82   1  A ASN 82 m-80    -62.6  -40.4  Favored 
83   1  A GLY 83 ?       -65.3  -52.0  Favored 
84   1  A ARG 84 mmm180  -55.0  -36.4  Favored 
85   1  A ASN 85 m-80    -57.7  -29.7  Favored 
86   1  A ASN 86 m-20    -76.8  -38.4  Favored 
87   1  A LEU 87 mm?     -63.8  -40.7  Favored 
88   1  A ILE 88 mt      -70.7  -27.1  Favored 
89   1  A GLN 89 tt0     52.1   45.1   Favored 
90   1  A GLN 90 tt0     -50.5  -33.3  Favored 
91   1  A LYS 91 tptt    -65.5  -22.2  Favored 
92   1  A ASN 92 t30     ?      ?      ?       
110  2  A MET 1  ttt     ?      ?      ?       
111  2  A ALA 2  ?       -138.1 12.1   Favored 
112  2  A VAL 3  m       -65.7  156.9  Favored 
113  2  A SER 4  t       -154.4 168.7  Favored 
114  2  A VAL 5  m       -142.6 159.2  Favored 
115  2  A THR 6  m       -62.4  135.6  Favored 
116  2  A PRO 7  Cg_exo  -52.2  -33.0  Favored 
117  2  A ILE 8  OUTLIER -120.1 158.8  Favored 
118  2  A ARG 9  mtm-85  -79.0  171.5  Favored 
119  2  A ASP 10 t0      -142.8 99.9   Favored 
120  2  A THR 11 p       -62.0  -17.3  Favored 
121  2  A LYS 12 pttp    -59.2  -24.4  Favored 
122  2  A TRP 13 p-90    -83.3  -20.5  Favored 
123  2  A LEU 14 mt      -96.7  -16.2  Favored 
124  2  A THR 15 p       -79.7  149.0  Favored 
125  2  A LEU 16 mt      -136.0 137.7  Favored 
126  2  A GLU 17 tt0     -75.7  144.8  Favored 
127  2  A VAL 18 t       -88.0  140.1  Favored 
128  2  A CYS 19 t       -56.8  134.5  Favored 
129  2  A ARG 20 ttt180  -64.5  -37.4  Favored 
130  2  A GLU 21 mt-10   -79.6  -31.5  Favored 
131  2  A PHE 22 t80     -62.6  -42.3  Favored 
132  2  A GLN 23 mt-30   -63.5  -16.4  Favored 
133  2  A ARG 24 mpp_?   -109.2 0.0    Favored 
134  2  A GLY 25 ?       69.0   25.1   Favored 
135  2  A THR 26 p       -110.2 -15.3  Favored 
136  2  A CYS 27 t       -73.0  140.1  Favored 
137  2  A SER 28 p       -140.0 59.9   Allowed 
138  2  A ARG 29 ptp85   -158.5 155.7  Favored 
139  2  A PRO 30 Cg_endo -70.5  159.4  Favored 
140  2  A ASP 31 t0      -51.7  -38.3  Favored 
141  2  A THR 32 m       -61.6  -28.0  Favored 
142  2  A GLU 33 tp10    -97.3  -30.4  Favored 
143  2  A CYS 34 t       -74.2  170.0  Favored 
144  2  A LYS 35 ttpt    -90.9  -13.4  Favored 
145  2  A PHE 36 m-85    -136.2 -179.9 Favored 
146  2  A ALA 37 ?       -89.8  147.5  Favored 
147  2  A HIS 38 m170    -120.1 68.9   Favored 
148  2  A PRO 39 Cg_endo -71.8  165.1  Favored 
149  2  A SER 40 p       -95.3  169.5  Favored 
150  2  A LYS 41 pttm    -60.4  -19.8  Favored 
151  2  A SER 42 m       -91.7  -13.5  Favored 
152  2  A CYS 43 m       -72.5  158.9  Favored 
153  2  A GLN 44 tp60    -72.7  40.0   Allowed 
154  2  A VAL 45 t       -65.7  130.1  Favored 
155  2  A GLU 46 tp10    -154.0 139.7  Favored 
156  2  A ASN 47 t30     43.8   31.9   Allowed 
157  2  A GLY 48 ?       87.9   10.5   Favored 
158  2  A ARG 49 OUTLIER -138.5 167.2  Favored 
159  2  A VAL 50 t       -139.8 140.6  Favored 
160  2  A ILE 51 mt      -76.6  128.2  Favored 
161  2  A ALA 52 ?       -78.6  149.3  Favored 
162  2  A CYS 53 t       -71.0  112.5  Favored 
163  2  A PHE 54 t80     -58.1  -46.3  Favored 
164  2  A ASP 55 m-20    -64.1  -39.3  Favored 
165  2  A SER 56 t       -67.2  -39.7  Favored 
166  2  A LEU 57 mt      -59.9  -33.0  Favored 
167  2  A LYS 58 mptt    -81.6  0.0    Favored 
168  2  A GLY 59 ?       90.1   6.0    Favored 
169  2  A ARG 60 OUTLIER -152.7 90.5   Allowed 
170  2  A CYS 61 t       -57.9  129.7  Favored 
171  2  A SER 62 p       -155.9 20.0   Allowed 
172  2  A ARG 63 OUTLIER -59.7  143.9  Favored 
173  2  A GLU 64 tp10    -57.9  -36.9  Favored 
174  2  A ASN 65 t30     -150.4 96.0   Favored 
175  2  A CYS 66 t       -79.9  112.1  Favored 
176  2  A LYS 67 pttt    -130.8 2.1    Favored 
177  2  A TYR 68 m-85    -90.0  167.6  Favored 
178  2  A LEU 69 tp      -84.6  135.3  Favored 
179  2  A HIS 70 m170    -98.2  104.7  Favored 
180  2  A PRO 71 Cg_endo -83.6  150.8  Favored 
181  2  A PRO 72 Cg_endo -73.1  158.9  Favored 
182  2  A PRO 73 Cg_exo  -45.3  -40.4  Favored 
183  2  A HIS 74 p-80    -67.8  -28.4  Favored 
184  2  A LEU 75 mt      -86.0  -28.8  Favored 
185  2  A LYS 76 mttt    -55.4  -35.1  Favored 
186  2  A THR 77 m       -58.6  -46.2  Favored 
187  2  A GLN 78 mp0     -68.4  -36.5  Favored 
188  2  A LEU 79 OUTLIER -61.3  -44.0  Favored 
189  2  A GLU 80 mt-10   -64.0  -44.1  Favored 
190  2  A ILE 81 mt      -63.1  -48.8  Favored 
191  2  A ASN 82 t30     -60.1  -46.8  Favored 
192  2  A GLY 83 ?       -57.9  -56.4  Favored 
193  2  A ARG 84 mmt85   -57.1  -43.5  Favored 
194  2  A ASN 85 t30     -59.7  -40.7  Favored 
195  2  A ASN 86 m-80    -66.8  -18.0  Favored 
196  2  A LEU 87 mm?     -66.6  -21.6  Favored 
197  2  A ILE 88 mt      -87.8  -26.2  Favored 
198  2  A GLN 89 pt20    -125.5 41.6   Favored 
199  2  A GLN 90 mt-30   -50.0  -26.2  Favored 
200  2  A LYS 91 pttt    -58.0  -30.2  Favored 
201  2  A ASN 92 t30     ?      ?      ?       
219  3  A MET 1  mtm     ?      ?      ?       
220  3  A ALA 2  ?       -150.3 166.3  Favored 
221  3  A VAL 3  m       -140.6 162.7  Favored 
222  3  A SER 4  t       -153.6 167.8  Favored 
223  3  A VAL 5  t       -140.6 141.9  Favored 
224  3  A THR 6  m       -62.4  132.4  Favored 
225  3  A PRO 7  Cg_endo -70.4  165.9  Favored 
226  3  A ILE 8  pt      -120.1 160.0  Favored 
227  3  A ARG 9  mtt85   -145.3 160.0  Favored 
228  3  A ASP 10 t0      -157.6 99.8   Allowed 
229  3  A THR 11 p       -57.1  -18.2  Favored 
230  3  A LYS 12 mttt    -58.7  -29.4  Favored 
231  3  A TRP 13 p-90    -83.9  -16.2  Favored 
232  3  A LEU 14 mt      -95.5  -17.2  Favored 
233  3  A THR 15 p       -79.8  147.7  Favored 
234  3  A LEU 16 mt      -130.0 143.4  Favored 
235  3  A GLU 17 mt-10   -70.6  143.9  Favored 
236  3  A VAL 18 t       -84.9  137.8  Favored 
237  3  A CYS 19 t       -58.3  131.5  Favored 
238  3  A ARG 20 mtm-85  -67.7  -39.5  Favored 
239  3  A GLU 21 mt-10   -71.3  -28.7  Favored 
240  3  A PHE 22 t80     -67.3  -42.5  Favored 
241  3  A GLN 23 mt-30   -65.3  -38.7  Favored 
242  3  A ARG 24 ttt180  -71.3  -20.4  Favored 
243  3  A GLY 25 ?       80.1   32.1   Favored 
244  3  A THR 26 p       -122.3 -14.6  Favored 
245  3  A CYS 27 t       -69.5  141.4  Favored 
246  3  A SER 28 m       -139.9 59.8   Allowed 
247  3  A ARG 29 mmp_?   -150.2 151.5  Favored 
248  3  A PRO 30 Cg_endo -72.3  158.9  Favored 
249  3  A ASP 31 t70     -51.6  -33.2  Favored 
250  3  A THR 32 m       -63.5  -23.4  Favored 
251  3  A GLU 33 mt-10   -116.5 -23.8  Favored 
252  3  A CYS 34 t       -72.6  161.2  Favored 
253  3  A LYS 35 tttt    -75.3  -20.5  Favored 
254  3  A PHE 36 m-85    -133.5 -179.8 Favored 
255  3  A ALA 37 ?       -89.8  145.9  Favored 
256  3  A HIS 38 m170    -120.0 76.4   Favored 
257  3  A PRO 39 Cg_endo -69.9  165.1  Favored 
258  3  A SER 40 m       -105.7 169.4  Favored 
259  3  A LYS 41 tptt    -55.8  -31.7  Favored 
260  3  A SER 42 m       -84.9  -14.2  Favored 
261  3  A CYS 43 m       -69.4  148.4  Favored 
262  3  A GLN 44 mm-40   -80.5  61.5   Favored 
263  3  A VAL 45 t       -66.5  135.0  Favored 
264  3  A GLU 46 tm-20   -147.0 119.8  Favored 
265  3  A ASN 47 t30     43.4   43.4   Favored 
266  3  A GLY 48 ?       76.8   18.9   Favored 
267  3  A ARG 49 mmt-85  -128.9 170.0  Favored 
268  3  A VAL 50 t       -135.7 135.1  Favored 
269  3  A ILE 51 mt      -73.4  128.1  Favored 
270  3  A ALA 52 ?       -83.7  152.0  Favored 
271  3  A CYS 53 t       -74.0  111.3  Favored 
272  3  A PHE 54 t80     -55.0  -46.4  Favored 
273  3  A ASP 55 m-20    -61.4  -39.6  Favored 
274  3  A SER 56 t       -70.3  -37.6  Favored 
275  3  A LEU 57 mt      -60.7  -28.5  Favored 
276  3  A LYS 58 mmtt    -91.0  0.5    Favored 
277  3  A GLY 59 ?       90.1   9.6    Favored 
278  3  A ARG 60 tpt180  -154.3 89.5   Allowed 
279  3  A CYS 61 t       -51.2  134.0  Favored 
280  3  A SER 62 m       -139.6 33.3   Favored 
281  3  A ARG 63 mmt180  -126.8 141.8  Favored 
282  3  A GLU 64 tt0     -73.4  -35.0  Favored 
283  3  A ASN 65 m-80    -119.2 62.7   Allowed 
284  3  A CYS 66 t       -79.6  123.6  Favored 
285  3  A LYS 67 pttt    -132.9 8.7    Favored 
286  3  A TYR 68 m-85    -101.0 169.1  Favored 
287  3  A LEU 69 tp      -84.6  135.2  Favored 
288  3  A HIS 70 m170    -101.7 104.6  Favored 
289  3  A PRO 71 Cg_endo -83.9  152.1  Favored 
290  3  A PRO 72 Cg_endo -68.8  162.3  Favored 
291  3  A PRO 73 Cg_exo  -42.9  -40.2  Favored 
292  3  A HIS 74 p-80    -67.2  -52.2  Favored 
293  3  A LEU 75 mt      -66.2  -36.0  Favored 
294  3  A LYS 76 tttm    -58.4  -46.5  Favored 
295  3  A THR 77 m       -64.4  -42.7  Favored 
296  3  A GLN 78 mm-40   -62.1  -38.5  Favored 
297  3  A LEU 79 tm?     -62.8  -49.7  Favored 
298  3  A GLU 80 mm-40   -61.1  -39.2  Favored 
299  3  A ILE 81 mt      -61.5  -46.4  Favored 
300  3  A ASN 82 m-80    -63.2  -41.6  Favored 
301  3  A GLY 83 ?       -58.6  -47.4  Favored 
302  3  A ARG 84 mmt-85  -65.4  -43.0  Favored 
303  3  A ASN 85 m-80    -60.4  -38.9  Favored 
304  3  A ASN 86 t30     -67.0  -34.0  Favored 
305  3  A LEU 87 mt      -68.5  -39.7  Favored 
306  3  A ILE 88 mt      -66.6  -39.4  Favored 
307  3  A GLN 89 tt0     -158.1 124.2  Favored 
308  3  A GLN 90 tt0     -57.2  -34.1  Favored 
309  3  A LYS 91 ttmm    -67.5  -18.4  Favored 
310  3  A ASN 92 t30     ?      ?      ?       
328  4  A MET 1  tpt     ?      ?      ?       
329  4  A ALA 2  ?       -150.6 168.1  Favored 
330  4  A VAL 3  m       -140.5 163.9  Favored 
331  4  A SER 4  m       -61.5  150.7  Favored 
332  4  A VAL 5  m       -140.8 158.7  Favored 
333  4  A THR 6  m       -62.5  132.9  Favored 
334  4  A PRO 7  Cg_exo  -55.7  159.5  Favored 
335  4  A ILE 8  OUTLIER -120.3 160.2  Favored 
336  4  A ARG 9  OUTLIER -130.0 -179.8 Favored 
337  4  A ASP 10 t0      -65.2  99.6   Allowed 
338  4  A THR 11 p       -69.9  -14.5  Favored 
339  4  A LYS 12 mtpp    -59.5  -28.9  Favored 
340  4  A TRP 13 p-90    -86.4  -16.6  Favored 
341  4  A LEU 14 mt      -95.9  -14.4  Favored 
342  4  A THR 15 p       -79.8  147.1  Favored 
343  4  A LEU 16 mt      -130.5 149.2  Favored 
344  4  A GLU 17 tt0     -86.0  139.2  Favored 
345  4  A VAL 18 t       -90.1  139.9  Favored 
346  4  A CYS 19 t       -60.5  125.4  Favored 
347  4  A ARG 20 mpt_?   -64.0  -29.7  Favored 
348  4  A GLU 21 mm-40   -75.3  -37.2  Favored 
349  4  A PHE 22 t80     -64.8  -41.1  Favored 
350  4  A GLN 23 tt0     -60.1  -19.0  Favored 
351  4  A ARG 24 mtm-85  -111.3 0.1    Favored 
352  4  A GLY 25 ?       70.7   30.1   Favored 
353  4  A THR 26 p       -119.9 -7.8   Favored 
354  4  A CYS 27 t       -70.9  146.5  Favored 
355  4  A SER 28 m       -139.9 59.8   Allowed 
356  4  A ARG 29 mmt-85  -150.4 150.4  Favored 
357  4  A PRO 30 Cg_endo -73.1  151.2  Favored 
358  4  A ASP 31 t70     -51.7  -34.0  Favored 
359  4  A THR 32 m       -64.6  -23.2  Favored 
360  4  A GLU 33 mt-10   -120.0 -21.0  Favored 
361  4  A CYS 34 t       -69.7  146.6  Favored 
362  4  A LYS 35 ptmt    -66.4  -10.2  Favored 
363  4  A PHE 36 m-85    -136.6 -179.9 Favored 
364  4  A ALA 37 ?       -89.8  146.9  Favored 
365  4  A HIS 38 m170    -120.1 74.4   Favored 
366  4  A PRO 39 Cg_endo -70.4  165.1  Favored 
367  4  A SER 40 m       -105.5 168.4  Favored 
368  4  A LYS 41 mtmt    -55.6  -25.4  Favored 
369  4  A SER 42 m       -77.2  -14.8  Favored 
370  4  A CYS 43 m       -81.1  158.8  Favored 
371  4  A GLN 44 mm-40   -80.5  51.1   Allowed 
372  4  A VAL 45 t       -67.1  118.9  Favored 
373  4  A GLU 46 tp10    -153.4 139.0  Favored 
374  4  A ASN 47 t30     44.9   34.5   Allowed 
375  4  A GLY 48 ?       74.9   24.4   Favored 
376  4  A ARG 49 mmt-85  -136.0 160.1  Favored 
377  4  A VAL 50 t       -145.8 140.0  Favored 
378  4  A ILE 51 mt      -77.5  126.7  Favored 
379  4  A ALA 52 ?       -84.0  152.1  Favored 
380  4  A CYS 53 t       -73.0  110.2  Favored 
381  4  A PHE 54 t80     -58.5  -40.2  Favored 
382  4  A ASP 55 m-20    -62.9  -39.7  Favored 
383  4  A SER 56 t       -68.8  -40.2  Favored 
384  4  A LEU 57 mt      -60.7  -33.0  Favored 
385  4  A LYS 58 tppt?   -78.0  -7.0   Favored 
386  4  A GLY 59 ?       90.0   10.9   Favored 
387  4  A ARG 60 tpp180  -156.3 94.0   Allowed 
388  4  A CYS 61 t       -56.3  139.5  Favored 
389  4  A SER 62 m       -136.9 19.9   Favored 
390  4  A ARG 63 OUTLIER -97.4  138.5  Favored 
391  4  A GLU 64 tt0     -61.1  -35.8  Favored 
392  4  A ASN 65 t30     -147.0 92.8   Favored 
393  4  A CYS 66 t       -79.8  138.1  Favored 
394  4  A LYS 67 OUTLIER -134.1 19.6   Favored 
395  4  A TYR 68 m-85    -115.6 170.1  Favored 
396  4  A LEU 69 tp      -84.7  135.2  Favored 
397  4  A HIS 70 m170    -101.3 104.7  Favored 
398  4  A PRO 71 Cg_endo -82.2  153.0  Favored 
399  4  A PRO 72 Cg_endo -74.7  161.1  Favored 
400  4  A PRO 73 Cg_exo  -44.4  -43.1  Favored 
401  4  A HIS 74 p-80    -65.2  -43.8  Favored 
402  4  A LEU 75 tp      -76.7  -32.3  Favored 
403  4  A LYS 76 ttmt    -62.3  -37.5  Favored 
404  4  A THR 77 m       -64.9  -43.4  Favored 
405  4  A GLN 78 tp60    -62.0  -36.1  Favored 
406  4  A LEU 79 tm?     -65.1  -50.4  Favored 
407  4  A GLU 80 pt-20   -63.8  -30.1  Favored 
408  4  A ILE 81 mt      -64.0  -44.1  Favored 
409  4  A ASN 82 OUTLIER -65.2  -39.3  Favored 
410  4  A GLY 83 ?       -60.0  -50.8  Favored 
411  4  A ARG 84 mmm180  -51.5  -52.0  Favored 
412  4  A ASN 85 t-20    -62.0  -31.1  Favored 
413  4  A ASN 86 t30     -74.8  -16.4  Favored 
414  4  A LEU 87 mm?     -63.9  -34.5  Favored 
415  4  A ILE 88 mp      -64.4  -34.6  Favored 
416  4  A GLN 89 tt0     -79.8  65.0   Favored 
417  4  A GLN 90 mm-40   -50.0  -21.8  Allowed 
418  4  A LYS 91 tptp    -55.2  -26.5  Favored 
419  4  A ASN 92 t30     ?      ?      ?       
437  5  A MET 1  ptt?    ?      ?      ?       
438  5  A ALA 2  ?       -150.2 166.9  Favored 
439  5  A VAL 3  m       -140.4 163.5  Favored 
440  5  A SER 4  t       -152.6 175.6  Favored 
441  5  A VAL 5  m       -64.0  157.8  Favored 
442  5  A THR 6  m       -62.5  131.5  Favored 
443  5  A PRO 7  Cg_endo -71.2  165.8  Favored 
444  5  A ILE 8  tp      -120.1 160.0  Favored 
445  5  A ARG 9  mtt85   -145.4 156.9  Favored 
446  5  A ASP 10 t0      -156.0 100.0  Favored 
447  5  A THR 11 p       -60.2  -17.2  Favored 
448  5  A LYS 12 ttpt    -50.5  -32.9  Favored 
449  5  A TRP 13 p-90    -86.4  -25.1  Favored 
450  5  A LEU 14 mt      -82.9  -17.8  Favored 
451  5  A THR 15 p       -79.8  144.3  Favored 
452  5  A LEU 16 mt      -133.5 136.3  Favored 
453  5  A GLU 17 mt-10   -64.7  143.7  Favored 
454  5  A VAL 18 t       -85.7  140.1  Favored 
455  5  A CYS 19 t       -61.3  126.5  Favored 
456  5  A ARG 20 ttm180  -59.4  -41.1  Favored 
457  5  A GLU 21 mp0     -72.5  -28.9  Favored 
458  5  A PHE 22 t80     -69.8  -43.5  Favored 
459  5  A GLN 23 tt0     -61.4  -39.0  Favored 
460  5  A ARG 24 ttp180  -72.5  -18.0  Favored 
461  5  A GLY 25 ?       80.0   31.7   Favored 
462  5  A THR 26 p       -123.4 -16.9  Favored 
463  5  A CYS 27 t       -64.4  143.4  Favored 
464  5  A SER 28 p       -140.1 59.7   Allowed 
465  5  A ARG 29 mmt-85  -148.5 151.6  Favored 
466  5  A PRO 30 Cg_endo -73.2  156.0  Favored 
467  5  A ASP 31 t70     -52.6  -32.3  Favored 
468  5  A THR 32 m       -64.8  -23.8  Favored 
469  5  A GLU 33 mt-10   -120.2 -19.6  Favored 
470  5  A CYS 34 t       -71.0  162.9  Favored 
471  5  A LYS 35 pttm    -76.8  -14.9  Favored 
472  5  A PHE 36 m-85    -142.2 -179.8 Favored 
473  5  A ALA 37 ?       -89.8  148.6  Favored 
474  5  A HIS 38 m170    -120.1 79.2   Favored 
475  5  A PRO 39 Cg_endo -67.1  165.2  Favored 
476  5  A SER 40 p       -105.5 172.1  Favored 
477  5  A LYS 41 tttt    -59.7  -24.6  Favored 
478  5  A SER 42 m       -89.4  -12.4  Favored 
479  5  A CYS 43 m       -73.5  142.7  Favored 
480  5  A GLN 44 mt-30   -80.5  59.6   Favored 
481  5  A VAL 45 t       -65.1  138.0  Favored 
482  5  A GLU 46 pt-20   -152.3 139.7  Favored 
483  5  A ASN 47 t30     42.1   37.4   Allowed 
484  5  A GLY 48 ?       80.3   16.1   Favored 
485  5  A ARG 49 mpt_?   -131.2 162.1  Favored 
486  5  A VAL 50 t       -125.6 137.6  Favored 
487  5  A ILE 51 mt      -76.6  130.0  Favored 
488  5  A ALA 52 ?       -80.5  149.9  Favored 
489  5  A CYS 53 t       -75.3  100.5  Favored 
490  5  A PHE 54 t80     -52.5  -42.8  Favored 
491  5  A ASP 55 m-20    -63.2  -32.8  Favored 
492  5  A SER 56 t       -71.9  -35.0  Favored 
493  5  A LEU 57 mt      -58.3  -33.0  Favored 
494  5  A LYS 58 mttm    -83.8  -0.4   Favored 
495  5  A GLY 59 ?       84.4   8.8    Favored 
496  5  A ARG 60 OUTLIER -150.8 89.1   Allowed 
497  5  A CYS 61 t       -58.0  137.3  Favored 
498  5  A SER 62 p       -141.7 19.8   Favored 
499  5  A ARG 63 mmp_?   -84.9  162.3  Favored 
500  5  A GLU 64 mt-10   -66.0  -41.2  Favored 
501  5  A ASN 65 t30     -161.9 100.3  Allowed 
502  5  A CYS 66 p       -79.7  152.1  Favored 
503  5  A LYS 67 pttt    -118.8 27.8   Favored 
504  5  A TYR 68 m-85    -129.6 168.8  Favored 
505  5  A LEU 69 tp      -84.8  135.1  Favored 
506  5  A HIS 70 m170    -98.0  104.8  Favored 
507  5  A PRO 71 Cg_endo -81.0  149.5  Favored 
508  5  A PRO 72 Cg_endo -69.7  161.2  Favored 
509  5  A PRO 73 Cg_exo  -42.9  -42.2  Favored 
510  5  A HIS 74 p-80    -66.0  -47.4  Favored 
511  5  A LEU 75 mt      -71.3  -34.5  Favored 
512  5  A LYS 76 ttmt    -60.5  -43.3  Favored 
513  5  A THR 77 m       -63.5  -43.0  Favored 
514  5  A GLN 78 tp60    -62.0  -37.2  Favored 
515  5  A LEU 79 OUTLIER -64.1  -48.8  Favored 
516  5  A GLU 80 mt-10   -59.1  -39.3  Favored 
517  5  A ILE 81 mt      -63.1  -46.0  Favored 
518  5  A ASN 82 OUTLIER -62.2  -39.8  Favored 
519  5  A GLY 83 ?       -64.5  -56.5  Favored 
520  5  A ARG 84 mmt180  -52.5  -45.2  Favored 
521  5  A ASN 85 t-20    -61.2  -42.5  Favored 
522  5  A ASN 86 t30     -67.6  -30.4  Favored 
523  5  A LEU 87 mm?     -63.9  -40.2  Favored 
524  5  A ILE 88 mt      -70.8  -39.5  Favored 
525  5  A GLN 89 tp-100  -77.3  46.8   Allowed 
526  5  A GLN 90 pt20    -50.2  -21.7  Allowed 
527  5  A LYS 91 mmpt?   -63.3  -26.1  Favored 
528  5  A ASN 92 t30     ?      ?      ?       
546  6  A MET 1  ttt     ?      ?      ?       
547  6  A ALA 2  ?       -138.7 12.7   Favored 
548  6  A VAL 3  m       -140.4 163.5  Favored 
549  6  A SER 4  m       -144.1 160.7  Favored 
550  6  A VAL 5  m       -67.2  159.6  Favored 
551  6  A THR 6  m       -62.5  132.9  Favored 
552  6  A PRO 7  Cg_exo  -53.8  158.3  Favored 
553  6  A ILE 8  tt      -120.1 158.5  Favored 
554  6  A ARG 9  mtt85   -146.4 -180.0 Favored 
555  6  A ASP 10 t70     -154.2 99.9   Favored 
556  6  A THR 11 p       -63.3  -18.8  Favored 
557  6  A LYS 12 ttpt    -60.8  -35.5  Favored 
558  6  A TRP 13 p-90    -76.8  -17.2  Favored 
559  6  A LEU 14 mt      -94.7  -17.0  Favored 
560  6  A THR 15 OUTLIER -79.8  144.7  Favored 
561  6  A LEU 16 mt      -130.6 144.8  Favored 
562  6  A GLU 17 mt-10   -82.7  142.9  Favored 
563  6  A VAL 18 t       -87.4  140.1  Favored 
564  6  A CYS 19 t       -58.4  128.4  Favored 
565  6  A ARG 20 mmm180  -59.6  -33.4  Favored 
566  6  A GLU 21 mt-10   -79.9  -30.9  Favored 
567  6  A PHE 22 t80     -65.8  -39.2  Favored 
568  6  A GLN 23 mt-30   -62.0  -16.3  Favored 
569  6  A ARG 24 mmp_?   -111.5 0.1    Favored 
570  6  A GLY 25 ?       70.3   22.0   Favored 
571  6  A THR 26 p       -104.2 -23.7  Favored 
572  6  A CYS 27 t       -69.6  130.8  Favored 
573  6  A SER 28 m       -137.3 59.8   Allowed 
574  6  A ARG 29 mmm180  -151.6 155.5  Favored 
575  6  A PRO 30 Cg_endo -69.2  153.3  Favored 
576  6  A ASP 31 p-10    -55.1  -28.7  Favored 
577  6  A THR 32 m       -65.5  -31.9  Favored 
578  6  A GLU 33 tp10    -87.5  -37.6  Favored 
579  6  A CYS 34 t       -70.0  170.1  Favored 
580  6  A LYS 35 pttt    -95.5  -5.6   Favored 
581  6  A PHE 36 m-85    -138.5 -180.0 Favored 
582  6  A ALA 37 ?       -89.9  147.1  Favored 
583  6  A HIS 38 m170    -120.1 77.7   Favored 
584  6  A PRO 39 Cg_endo -67.1  165.1  Favored 
585  6  A SER 40 m       -105.4 167.8  Favored 
586  6  A LYS 41 pttt    -55.7  -26.0  Favored 
587  6  A SER 42 m       -82.1  -21.6  Favored 
588  6  A CYS 43 m       -69.1  141.5  Favored 
589  6  A GLN 44 mm-40   -82.2  58.1   Favored 
590  6  A VAL 45 t       -60.8  134.4  Favored 
591  6  A GLU 46 tt0     -150.1 129.8  Favored 
592  6  A ASN 47 t30     44.2   38.0   Favored 
593  6  A GLY 48 ?       83.1   11.1   Favored 
594  6  A ARG 49 mpt_?   -134.9 166.4  Favored 
595  6  A VAL 50 t       -144.7 139.4  Favored 
596  6  A ILE 51 mt      -74.9  126.0  Favored 
597  6  A ALA 52 ?       -82.1  152.1  Favored 
598  6  A CYS 53 t       -71.0  110.5  Favored 
599  6  A PHE 54 t80     -59.4  -40.3  Favored 
600  6  A ASP 55 m-20    -65.3  -43.0  Favored 
601  6  A SER 56 t       -66.6  -37.9  Favored 
602  6  A LEU 57 mt      -60.6  -33.0  Favored 
603  6  A LYS 58 mttm    -84.5  3.3    Favored 
604  6  A GLY 59 ?       90.0   7.7    Favored 
605  6  A ARG 60 tpp180  -153.2 89.3   Allowed 
606  6  A CYS 61 t       -57.7  130.3  Favored 
607  6  A SER 62 p       -155.6 19.9   Allowed 
608  6  A ARG 63 tpp180  -73.2  146.0  Favored 
609  6  A GLU 64 tt0     -53.6  -39.6  Favored 
610  6  A ASN 65 p-10    -148.3 91.4   Allowed 
611  6  A CYS 66 t       -79.9  126.4  Favored 
612  6  A LYS 67 OUTLIER -134.1 9.8    Favored 
613  6  A TYR 68 m-85    -89.9  170.2  Favored 
614  6  A LEU 69 tp      -84.6  135.1  Favored 
615  6  A HIS 70 m170    -100.4 104.8  Favored 
616  6  A PRO 71 Cg_exo  -77.5  162.4  Favored 
617  6  A PRO 72 Cg_endo -70.5  158.2  Favored 
618  6  A PRO 73 Cg_exo  -45.4  -41.9  Favored 
619  6  A HIS 74 p-80    -66.4  -42.2  Favored 
620  6  A LEU 75 mt      -72.3  -35.8  Favored 
621  6  A LYS 76 mttt    -58.6  -44.0  Favored 
622  6  A THR 77 m       -63.0  -44.9  Favored 
623  6  A GLN 78 tp60    -62.1  -41.9  Favored 
624  6  A LEU 79 OUTLIER -60.1  -48.2  Favored 
625  6  A GLU 80 mt-10   -66.7  -33.2  Favored 
626  6  A ILE 81 mt      -66.3  -46.4  Favored 
627  6  A ASN 82 m-20    -59.4  -43.4  Favored 
628  6  A GLY 83 ?       -62.0  -51.4  Favored 
629  6  A ARG 84 OUTLIER -52.9  -48.4  Favored 
630  6  A ASN 85 t30     -61.1  -26.7  Favored 
631  6  A ASN 86 t30     -80.0  -25.0  Favored 
632  6  A LEU 87 mm?     -63.5  -23.6  Favored 
633  6  A ILE 88 mp      -64.1  -21.1  Favored 
634  6  A GLN 89 mt-30   50.0   54.8   Favored 
635  6  A GLN 90 mp0     -50.3  -31.7  Favored 
636  6  A LYS 91 pttt    -59.0  -26.8  Favored 
637  6  A ASN 92 t-20    ?      ?      ?       
655  7  A MET 1  mtt     ?      ?      ?       
656  7  A ALA 2  ?       -67.0  -12.9  Favored 
657  7  A VAL 3  m       -136.7 175.8  Favored 
658  7  A SER 4  m       -59.5  -9.2   Favored 
659  7  A VAL 5  m       -138.8 161.0  Favored 
660  7  A THR 6  m       -62.5  115.6  Favored 
661  7  A PRO 7  Cg_endo -81.4  178.2  Favored 
662  7  A ILE 8  mp      -80.0  157.9  Favored 
663  7  A ARG 9  mtt85   -140.1 147.9  Favored 
664  7  A ASP 10 t0      -159.6 100.0  Allowed 
665  7  A THR 11 p       -56.0  -13.8  Favored 
666  7  A LYS 12 tptt    -57.9  -30.8  Favored 
667  7  A TRP 13 p-90    -82.6  -26.5  Favored 
668  7  A LEU 14 mt      -83.7  -14.8  Favored 
669  7  A THR 15 p       -79.8  149.0  Favored 
670  7  A LEU 16 mt      -132.5 139.8  Favored 
671  7  A GLU 17 mp0     -71.5  148.0  Favored 
672  7  A VAL 18 t       -98.5  140.0  Favored 
673  7  A CYS 19 t       -59.3  133.2  Favored 
674  7  A ARG 20 ptm180  -67.0  -42.6  Favored 
675  7  A GLU 21 mt-10   -67.2  -30.4  Favored 
676  7  A PHE 22 t80     -65.6  -40.4  Favored 
677  7  A GLN 23 mt-30   -67.2  -32.0  Favored 
678  7  A ARG 24 mmt-85  -79.7  -14.6  Favored 
679  7  A GLY 25 ?       80.1   30.2   Favored 
680  7  A THR 26 p       -122.2 -13.9  Favored 
681  7  A CYS 27 t       -66.4  147.0  Favored 
682  7  A SER 28 p       -140.1 59.8   Allowed 
683  7  A ARG 29 mtt180  -153.1 151.6  Favored 
684  7  A PRO 30 Cg_endo -72.8  157.1  Favored 
685  7  A ASP 31 p-10    -54.0  -28.1  Favored 
686  7  A THR 32 m       -64.7  -26.9  Favored 
687  7  A GLU 33 mm-40   -113.7 -16.4  Favored 
688  7  A CYS 34 t       -79.8  170.1  Favored 
689  7  A LYS 35 mtpp    -82.1  -15.7  Favored 
690  7  A PHE 36 m-85    -139.6 -179.7 Favored 
691  7  A ALA 37 ?       -89.6  148.4  Favored 
692  7  A HIS 38 m170    -120.3 81.2   Favored 
693  7  A PRO 39 Cg_endo -68.3  165.0  Favored 
694  7  A SER 40 m       -105.4 166.9  Favored 
695  7  A LYS 41 tttm    -55.6  -30.5  Favored 
696  7  A SER 42 m       -78.4  -14.0  Favored 
697  7  A CYS 43 m       -77.8  149.0  Favored 
698  7  A GLN 44 mt-30   -79.0  61.8   Favored 
699  7  A VAL 45 t       -67.1  130.2  Favored 
700  7  A GLU 46 tt0     -150.8 136.2  Favored 
701  7  A ASN 47 m-20    48.2   33.2   Favored 
702  7  A GLY 48 ?       75.9   22.7   Favored 
703  7  A ARG 49 mtm-85  -139.0 170.1  Favored 
704  7  A VAL 50 t       -139.4 138.1  Favored 
705  7  A ILE 51 mp      -72.5  125.3  Favored 
706  7  A ALA 52 ?       -74.9  151.9  Favored 
707  7  A CYS 53 t       -78.0  101.8  Favored 
708  7  A PHE 54 t80     -58.3  -37.0  Favored 
709  7  A ASP 55 OUTLIER -54.9  -40.0  Favored 
710  7  A SER 56 t       -76.0  -41.8  Favored 
711  7  A LEU 57 mm?     -57.9  -33.1  Favored 
712  7  A LYS 58 mmmt    -81.2  -5.0   Favored 
713  7  A GLY 59 ?       78.8   26.0   Favored 
714  7  A ARG 60 OUTLIER -147.4 26.8   Allowed 
715  7  A CYS 61 t       -44.7  121.8  Favored 
716  7  A SER 62 t       -146.3 20.1   Allowed 
717  7  A ARG 63 OUTLIER -61.3  139.5  Favored 
718  7  A GLU 64 pt-20   -66.6  -26.4  Favored 
719  7  A ASN 65 t-20    -144.1 77.9   Allowed 
720  7  A CYS 66 t       -79.6  119.8  Favored 
721  7  A LYS 67 pttt    -129.1 14.1   Favored 
722  7  A TYR 68 m-85    -112.5 166.8  Favored 
723  7  A LEU 69 tp      -84.8  135.1  Favored 
724  7  A HIS 70 m170    -95.5  104.9  Favored 
725  7  A PRO 71 Cg_endo -80.0  142.0  Favored 
726  7  A PRO 72 Cg_endo -74.2  163.8  Favored 
727  7  A PRO 73 Cg_exo  -42.9  -42.8  Favored 
728  7  A HIS 74 p-80    -66.3  -37.6  Favored 
729  7  A LEU 75 mt      -79.4  -28.2  Favored 
730  7  A LYS 76 mttt    -58.4  -39.5  Favored 
731  7  A THR 77 m       -65.8  -44.4  Favored 
732  7  A GLN 78 tt0     -60.4  -43.5  Favored 
733  7  A LEU 79 tm?     -59.1  -47.3  Favored 
734  7  A GLU 80 tt0     -61.1  -45.8  Favored 
735  7  A ILE 81 mt      -62.1  -46.8  Favored 
736  7  A ASN 82 t-20    -59.9  -44.2  Favored 
737  7  A GLY 83 ?       -61.5  -53.4  Favored 
738  7  A ARG 84 mmt180  -60.8  -43.5  Favored 
739  7  A ASN 85 t30     -57.2  -41.9  Favored 
740  7  A ASN 86 m-80    -66.8  -33.2  Favored 
741  7  A LEU 87 mt      -70.1  -38.8  Favored 
742  7  A ILE 88 mt      -72.6  -32.5  Favored 
743  7  A GLN 89 mm-40   59.1   46.9   Favored 
744  7  A GLN 90 mt-30   -53.7  -25.7  Favored 
745  7  A LYS 91 mmmp?   -72.0  -18.7  Favored 
746  7  A ASN 92 t30     ?      ?      ?       
764  8  A MET 1  mtt     ?      ?      ?       
765  8  A ALA 2  ?       -148.6 162.7  Favored 
766  8  A VAL 3  p       -153.3 161.1  Favored 
767  8  A SER 4  m       -64.4  -3.6   Favored 
768  8  A VAL 5  t       -61.0  149.3  Favored 
769  8  A THR 6  m       -62.4  136.0  Favored 
770  8  A PRO 7  Cg_exo  -57.5  170.1  Favored 
771  8  A ILE 8  pt      -79.8  160.1  Favored 
772  8  A ARG 9  mtt85   -127.6 132.4  Favored 
773  8  A ASP 10 t0      -162.6 108.2  Allowed 
774  8  A THR 11 p       -54.5  -17.1  Favored 
775  8  A LYS 12 tttt    -61.4  -28.9  Favored 
776  8  A TRP 13 p-90    -85.6  -25.6  Favored 
777  8  A LEU 14 mt      -82.8  -18.7  Favored 
778  8  A THR 15 p       -80.0  152.2  Favored 
779  8  A LEU 16 mt      -135.0 151.7  Favored 
780  8  A GLU 17 tt0     -93.2  139.5  Favored 
781  8  A VAL 18 t       -82.9  140.1  Favored 
782  8  A CYS 19 t       -58.6  132.9  Favored 
783  8  A ARG 20 tpp180  -65.8  -43.6  Favored 
784  8  A GLU 21 mp0     -67.9  -25.6  Favored 
785  8  A PHE 22 t80     -70.7  -44.6  Favored 
786  8  A GLN 23 mt-30   -64.4  -36.9  Favored 
787  8  A ARG 24 ttt180  -70.2  -19.4  Favored 
788  8  A GLY 25 ?       80.0   31.5   Favored 
789  8  A THR 26 p       -128.9 -14.2  Favored 
790  8  A CYS 27 t       -61.1  140.3  Favored 
791  8  A SER 28 m       -137.5 59.8   Allowed 
792  8  A ARG 29 mmt180  -147.8 147.4  Favored 
793  8  A PRO 30 Cg_endo -72.2  152.4  Favored 
794  8  A ASP 31 t70     -52.3  -32.8  Favored 
795  8  A THR 32 m       -67.4  -19.9  Favored 
796  8  A GLU 33 tt0     -120.0 -25.1  Favored 
797  8  A CYS 34 t       -68.6  152.0  Favored 
798  8  A LYS 35 mttp    -69.1  -12.6  Favored 
799  8  A PHE 36 m-85    -138.6 -179.9 Favored 
800  8  A ALA 37 ?       -89.8  146.2  Favored 
801  8  A HIS 38 m170    -120.1 72.2   Favored 
802  8  A PRO 39 Cg_endo -69.1  165.1  Favored 
803  8  A SER 40 t       -105.5 177.0  Favored 
804  8  A LYS 41 pttm    -59.1  -25.4  Favored 
805  8  A SER 42 m       -79.3  -18.5  Favored 
806  8  A CYS 43 m       -79.2  149.0  Favored 
807  8  A GLN 44 OUTLIER -76.3  46.9   Allowed 
808  8  A VAL 45 t       -59.4  128.1  Favored 
809  8  A GLU 46 tt0     -150.1 132.9  Favored 
810  8  A ASN 47 t30     45.3   37.9   Favored 
811  8  A GLY 48 ?       77.5   13.8   Favored 
812  8  A ARG 49 mmm180  -129.7 160.3  Favored 
813  8  A VAL 50 t       -145.2 138.9  Favored 
814  8  A ILE 51 mt      -79.2  129.2  Favored 
815  8  A ALA 52 ?       -79.4  152.0  Favored 
816  8  A CYS 53 t       -74.8  106.1  Favored 
817  8  A PHE 54 t80     -58.7  -40.6  Favored 
818  8  A ASP 55 m-20    -60.4  -44.5  Favored 
819  8  A SER 56 t       -66.6  -40.4  Favored 
820  8  A LEU 57 mt      -61.0  -33.1  Favored 
821  8  A LYS 58 tppt?   -76.0  -5.7   Favored 
822  8  A GLY 59 ?       90.0   10.0   Favored 
823  8  A ARG 60 tpp85   -155.7 92.5   Allowed 
824  8  A CYS 61 t       -53.0  143.8  Favored 
825  8  A SER 62 t       -134.4 38.4   Favored 
826  8  A ARG 63 mtt85   -130.2 140.2  Favored 
827  8  A GLU 64 tp10    -74.6  -26.1  Favored 
828  8  A ASN 65 t30     -144.2 83.9   Allowed 
829  8  A CYS 66 t       -79.8  147.1  Favored 
830  8  A LYS 67 pttp    -131.7 -3.8   Favored 
831  8  A TYR 68 m-85    -90.0  168.9  Favored 
832  8  A LEU 69 tp      -84.7  135.1  Favored 
833  8  A HIS 70 m170    -101.2 104.8  Favored 
834  8  A PRO 71 Cg_endo -83.0  148.0  Favored 
835  8  A PRO 72 Cg_endo -72.0  161.4  Favored 
836  8  A PRO 73 Cg_exo  -43.0  -40.9  Favored 
837  8  A HIS 74 p-80    -67.5  -46.8  Favored 
838  8  A LEU 75 mt      -71.3  -34.0  Favored 
839  8  A LYS 76 tttt    -61.5  -38.2  Favored 
840  8  A THR 77 m       -66.9  -41.8  Favored 
841  8  A GLN 78 tt0     -62.1  -40.8  Favored 
842  8  A LEU 79 OUTLIER -61.4  -48.7  Favored 
843  8  A GLU 80 tt0     -57.3  -45.9  Favored 
844  8  A ILE 81 mt      -63.6  -45.2  Favored 
845  8  A ASN 82 m-80    -65.1  -32.8  Favored 
846  8  A GLY 83 ?       -79.7  -51.9  Favored 
847  8  A ARG 84 mmt-85  -65.1  -34.1  Favored 
848  8  A ASN 85 p30     -70.2  -30.4  Favored 
849  8  A ASN 86 t30     -65.5  -42.7  Favored 
850  8  A LEU 87 pt?     -75.7  -23.8  Favored 
851  8  A ILE 88 mt      -67.8  -23.4  Favored 
852  8  A GLN 89 mt-30   55.4   41.9   Favored 
853  8  A GLN 90 pt20    -50.3  -23.7  Favored 
854  8  A LYS 91 tttt    -62.2  -26.6  Favored 
855  8  A ASN 92 t-20    ?      ?      ?       
873  9  A MET 1  ptm     ?      ?      ?       
874  9  A ALA 2  ?       -65.8  159.1  Favored 
875  9  A VAL 3  t       -140.4 147.7  Favored 
876  9  A SER 4  m       -65.1  -11.8  Favored 
877  9  A VAL 5  p       -151.6 159.4  Favored 
878  9  A THR 6  m       -62.4  126.7  Favored 
879  9  A PRO 7  Cg_exo  -52.8  -33.2  Favored 
880  9  A ILE 8  OUTLIER -120.0 160.1  Favored 
881  9  A ARG 9  ptt-85  -38.1  103.0  OUTLIER 
882  9  A ASP 10 t70     -55.7  100.0  OUTLIER 
883  9  A THR 11 p       -61.2  -17.4  Favored 
884  9  A LYS 12 mmmm    -65.8  -27.6  Favored 
885  9  A TRP 13 p-90    -76.4  -10.9  Favored 
886  9  A LEU 14 mt      -109.0 -14.2  Favored 
887  9  A THR 15 p       -79.9  150.9  Favored 
888  9  A LEU 16 mt      -133.9 141.8  Favored 
889  9  A GLU 17 tt0     -74.5  139.1  Favored 
890  9  A VAL 18 t       -85.0  140.1  Favored 
891  9  A CYS 19 t       -57.9  132.0  Favored 
892  9  A ARG 20 mtt180  -68.7  -35.6  Favored 
893  9  A GLU 21 mm-40   -77.8  -29.5  Favored 
894  9  A PHE 22 t80     -66.0  -43.1  Favored 
895  9  A GLN 23 mt-30   -64.5  -33.9  Favored 
896  9  A ARG 24 ttm-85  -73.3  -17.4  Favored 
897  9  A GLY 25 ?       80.2   28.2   Favored 
898  9  A THR 26 p       -118.2 -21.6  Favored 
899  9  A CYS 27 t       -71.3  134.5  Favored 
900  9  A SER 28 p       -140.1 59.8   Allowed 
901  9  A ARG 29 mmt-85  -148.9 155.4  Favored 
902  9  A PRO 30 Cg_endo -69.2  158.6  Favored 
903  9  A ASP 31 m-20    -52.8  -32.4  Favored 
904  9  A THR 32 p       -67.5  -30.4  Favored 
905  9  A GLU 33 mt-10   -93.6  0.0    Favored 
906  9  A CYS 34 t       -116.7 170.2  Favored 
907  9  A LYS 35 pttm    -99.7  -5.2   Favored 
908  9  A PHE 36 m-85    -141.5 -179.9 Favored 
909  9  A ALA 37 ?       -89.8  148.2  Favored 
910  9  A HIS 38 m170    -120.2 71.6   Favored 
911  9  A PRO 39 Cg_endo -73.7  165.2  Favored 
912  9  A SER 40 p       -96.3  169.7  Favored 
913  9  A LYS 41 pttm    -60.1  -20.6  Favored 
914  9  A SER 42 m       -91.6  -12.1  Favored 
915  9  A CYS 43 m       -72.9  163.3  Favored 
916  9  A GLN 44 mm-40   -73.4  46.3   Allowed 
917  9  A VAL 45 t       -72.4  123.7  Favored 
918  9  A GLU 46 pt-20   -154.4 139.8  Favored 
919  9  A ASN 47 t30     44.8   35.6   Allowed 
920  9  A GLY 48 ?       78.5   14.3   Favored 
921  9  A ARG 49 mpt_?   -131.5 166.4  Favored 
922  9  A VAL 50 t       -140.6 139.0  Favored 
923  9  A ILE 51 mt      -72.8  125.2  Favored 
924  9  A ALA 52 ?       -88.2  151.2  Favored 
925  9  A CYS 53 t       -69.9  110.4  Favored 
926  9  A PHE 54 t80     -52.0  -47.2  Favored 
927  9  A ASP 55 m-20    -63.0  -40.8  Favored 
928  9  A SER 56 t       -69.5  -39.1  Favored 
929  9  A LEU 57 mt      -57.9  -26.2  Favored 
930  9  A LYS 58 OUTLIER -97.5  2.0    Favored 
931  9  A GLY 59 ?       90.0   9.2    Favored 
932  9  A ARG 60 tpp85   -154.3 92.5   Allowed 
933  9  A CYS 61 t       -53.8  147.9  Favored 
934  9  A SER 62 m       -124.6 19.9   Favored 
935  9  A ARG 63 mpt_?   -130.2 149.3  Favored 
936  9  A GLU 64 tt0     -64.9  -31.2  Favored 
937  9  A ASN 65 t30     -159.6 131.4  Favored 
938  9  A CYS 66 p       -129.9 152.0  Favored 
939  9  A LYS 67 pttp    -82.0  -5.6   Favored 
940  9  A TYR 68 m-85    -90.2  169.7  Favored 
941  9  A LEU 69 tp      -84.7  135.2  Favored 
942  9  A HIS 70 m170    -100.2 104.8  Favored 
943  9  A PRO 71 Cg_endo -83.1  159.0  Favored 
944  9  A PRO 72 Cg_endo -70.8  158.1  Favored 
945  9  A PRO 73 Cg_exo  -44.6  -42.2  Favored 
946  9  A HIS 74 p-80    -66.4  -49.1  Favored 
947  9  A LEU 75 mt      -67.9  -35.7  Favored 
948  9  A LYS 76 ttmt    -58.7  -46.2  Favored 
949  9  A THR 77 m       -64.1  -44.5  Favored 
950  9  A GLN 78 mm100   -61.4  -38.3  Favored 
951  9  A LEU 79 tm?     -64.4  -47.3  Favored 
952  9  A GLU 80 mt-10   -60.1  -39.9  Favored 
953  9  A ILE 81 mt      -63.3  -43.7  Favored 
954  9  A ASN 82 m-80    -63.3  -39.1  Favored 
955  9  A GLY 83 ?       -60.7  -50.4  Favored 
956  9  A ARG 84 mmm-85  -59.1  -43.0  Favored 
957  9  A ASN 85 t30     -58.5  -36.0  Favored 
958  9  A ASN 86 m-80    -69.9  -41.5  Favored 
959  9  A LEU 87 mt      -66.1  -32.5  Favored 
960  9  A ILE 88 mt      -66.1  -14.8  Favored 
961  9  A GLN 89 tt0     64.0   37.9   Favored 
962  9  A GLN 90 tt0     -50.5  -30.3  Favored 
963  9  A LYS 91 ttmt    -59.6  -30.2  Favored 
964  9  A ASN 92 t-20    ?      ?      ?       
982  10 A MET 1  ppp?    ?      ?      ?       
983  10 A ALA 2  ?       -155.8 173.4  Favored 
984  10 A VAL 3  p       -142.3 148.2  Favored 
985  10 A SER 4  m       -63.0  -17.6  Favored 
986  10 A VAL 5  m       -142.3 160.9  Favored 
987  10 A THR 6  m       -62.4  133.8  Favored 
988  10 A PRO 7  Cg_endo -66.5  160.9  Favored 
989  10 A ILE 8  pt      -80.0  159.7  Favored 
990  10 A ARG 9  mtt180  -75.7  147.1  Favored 
991  10 A ASP 10 t0      -156.5 100.0  Allowed 
992  10 A THR 11 p       -53.5  -21.4  Favored 
993  10 A LYS 12 mmtp    -62.5  -28.4  Favored 
994  10 A TRP 13 p-90    -82.4  -13.7  Favored 
995  10 A LEU 14 mt      -103.8 -14.8  Favored 
996  10 A THR 15 p       -79.8  150.2  Favored 
997  10 A LEU 16 mt      -134.7 138.3  Favored 
998  10 A GLU 17 mt-10   -76.8  148.6  Favored 
999  10 A VAL 18 t       -92.0  140.0  Favored 
1000 10 A CYS 19 t       -58.8  134.5  Favored 
1001 10 A ARG 20 tpp180  -68.0  -42.1  Favored 
1002 10 A GLU 21 mm-40   -67.8  -30.0  Favored 
1003 10 A PHE 22 t80     -67.5  -44.4  Favored 
1004 10 A GLN 23 mt-30   -63.2  -35.4  Favored 
1005 10 A ARG 24 mtt180  -76.6  -13.1  Favored 
1006 10 A GLY 25 ?       77.1   30.3   Favored 
1007 10 A THR 26 p       -122.4 -18.2  Favored 
1008 10 A CYS 27 t       -62.3  133.8  Favored 
1009 10 A SER 28 m       -135.8 59.9   Allowed 
1010 10 A ARG 29 ptt180  -159.0 155.9  Favored 
1011 10 A PRO 30 Cg_endo -68.6  156.5  Favored 
1012 10 A ASP 31 t70     -52.0  -32.6  Favored 
1013 10 A THR 32 m       -70.5  -30.3  Favored 
1014 10 A GLU 33 tt0     -91.3  -31.7  Favored 
1015 10 A CYS 34 t       -69.9  156.9  Favored 
1016 10 A LYS 35 mtpp    -77.3  -11.5  Favored 
1017 10 A PHE 36 m-85    -139.2 -179.9 Favored 
1018 10 A ALA 37 ?       -89.8  147.2  Favored 
1019 10 A HIS 38 m170    -120.1 71.9   Favored 
1020 10 A PRO 39 Cg_endo -73.0  165.1  Favored 
1021 10 A SER 40 m       -98.3  162.8  Favored 
1022 10 A LYS 41 pttm    -55.7  -24.1  Favored 
1023 10 A SER 42 m       -83.3  -15.0  Favored 
1024 10 A CYS 43 m       -73.8  165.4  Favored 
1025 10 A GLN 44 mm-40   -74.8  44.3   Allowed 
1026 10 A VAL 45 t       -67.2  125.4  Favored 
1027 10 A GLU 46 tp10    -150.9 130.0  Favored 
1028 10 A ASN 47 t30     40.0   34.6   Allowed 
1029 10 A GLY 48 ?       95.2   10.1   Favored 
1030 10 A ARG 49 ppt_?   -139.3 168.1  Favored 
1031 10 A VAL 50 t       -141.4 142.6  Favored 
1032 10 A ILE 51 mt      -77.8  125.8  Favored 
1033 10 A ALA 52 ?       -84.7  152.0  Favored 
1034 10 A CYS 53 t       -70.4  112.9  Favored 
1035 10 A PHE 54 t80     -54.2  -38.8  Favored 
1036 10 A ASP 55 m-20    -74.3  -32.4  Favored 
1037 10 A SER 56 t       -68.9  -38.8  Favored 
1038 10 A LEU 57 OUTLIER -57.5  -23.1  Favored 
1039 10 A LYS 58 mttp    -105.0 2.8    Favored 
1040 10 A GLY 59 ?       87.6   7.8    Favored 
1041 10 A ARG 60 tpp180  -154.8 90.0   Allowed 
1042 10 A CYS 61 t       -51.2  134.0  Favored 
1043 10 A SER 62 m       -136.4 19.9   Favored 
1044 10 A ARG 63 OUTLIER -74.1  149.8  Favored 
1045 10 A GLU 64 tt0     -61.8  -39.6  Favored 
1046 10 A ASN 65 t30     -153.4 109.6  Favored 
1047 10 A CYS 66 t       -79.8  144.1  Favored 
1048 10 A LYS 67 ttpt    -134.1 -6.8   Favored 
1049 10 A TYR 68 m-85    -96.6  170.1  Favored 
1050 10 A LEU 69 tp      -84.5  135.1  Favored 
1051 10 A HIS 70 m170    -99.2  104.8  Favored 
1052 10 A PRO 71 Cg_endo -82.9  158.6  Favored 
1053 10 A PRO 72 Cg_endo -72.9  160.7  Favored 
1054 10 A PRO 73 Cg_exo  -43.7  -41.1  Favored 
1055 10 A HIS 74 p-80    -67.5  -49.7  Favored 
1056 10 A LEU 75 mt      -68.4  -35.6  Favored 
1057 10 A LYS 76 tttt    -57.5  -47.0  Favored 
1058 10 A THR 77 m       -63.6  -43.2  Favored 
1059 10 A GLN 78 mm-40   -62.5  -35.9  Favored 
1060 10 A LEU 79 tm?     -63.4  -48.6  Favored 
1061 10 A GLU 80 mt-10   -60.2  -40.3  Favored 
1062 10 A ILE 81 mt      -62.7  -48.9  Favored 
1063 10 A ASN 82 m-80    -59.4  -43.6  Favored 
1064 10 A GLY 83 ?       -57.2  -55.9  Favored 
1065 10 A ARG 84 ttt85   -65.2  -40.0  Favored 
1066 10 A ASN 85 t-20    -55.4  -43.1  Favored 
1067 10 A ASN 86 t30     -63.4  -24.8  Favored 
1068 10 A LEU 87 mt      -82.0  -41.3  Favored 
1069 10 A ILE 88 mt      -66.0  -39.5  Favored 
1070 10 A GLN 89 tt0     130.7  133.3  OUTLIER 
1071 10 A GLN 90 mt-30   -50.0  -31.9  Favored 
1072 10 A LYS 91 mttm    -68.1  -20.4  Favored 
1073 10 A ASN 92 t30     ?      ?      ?       
1091 11 A MET 1  ptt?    ?      ?      ?       
1092 11 A ALA 2  ?       -148.7 165.3  Favored 
1093 11 A VAL 3  m       -140.9 163.6  Favored 
1094 11 A SER 4  m       -140.8 159.4  Favored 
1095 11 A VAL 5  p       -152.0 157.4  Favored 
1096 11 A THR 6  m       -62.4  126.2  Favored 
1097 11 A PRO 7  Cg_endo -76.0  165.5  Favored 
1098 11 A ILE 8  pt      -86.2  159.5  Favored 
1099 11 A ARG 9  mpt_?   -141.0 177.7  Favored 
1100 11 A ASP 10 t70     -58.6  99.8   Allowed 
1101 11 A THR 11 p       -68.8  -15.2  Favored 
1102 11 A LYS 12 mttt    -61.5  -30.4  Favored 
1103 11 A TRP 13 p-90    -80.0  -21.9  Favored 
1104 11 A LEU 14 mt      -91.1  -18.1  Favored 
1105 11 A THR 15 p       -79.8  149.2  Favored 
1106 11 A LEU 16 mt      -134.0 142.9  Favored 
1107 11 A GLU 17 tt0     -76.8  141.7  Favored 
1108 11 A VAL 18 t       -85.4  140.0  Favored 
1109 11 A CYS 19 t       -58.9  133.4  Favored 
1110 11 A ARG 20 ttp180  -64.4  -43.7  Favored 
1111 11 A GLU 21 mm-40   -69.4  -31.7  Favored 
1112 11 A PHE 22 t80     -64.7  -42.9  Favored 
1113 11 A GLN 23 mt-30   -64.3  -16.2  Favored 
1114 11 A ARG 24 mmp_?   -109.2 0.1    Favored 
1115 11 A GLY 25 ?       69.4   28.7   Favored 
1116 11 A THR 26 p       -117.9 -12.0  Favored 
1117 11 A CYS 27 t       -67.4  146.1  Favored 
1118 11 A SER 28 t       -140.1 59.7   Allowed 
1119 11 A ARG 29 mtm180  -151.5 148.3  Favored 
1120 11 A PRO 30 Cg_endo -72.2  157.3  Favored 
1121 11 A ASP 31 t70     -51.8  -32.7  Favored 
1122 11 A THR 32 m       -65.5  -23.4  Favored 
1123 11 A GLU 33 tp10    -117.5 -25.4  Favored 
1124 11 A CYS 34 t       -69.6  153.8  Favored 
1125 11 A LYS 35 ptmt    -74.9  -7.5   Favored 
1126 11 A PHE 36 m-85    -139.2 -179.9 Favored 
1127 11 A ALA 37 ?       -89.8  144.8  Favored 
1128 11 A HIS 38 m170    -120.2 70.9   Favored 
1129 11 A PRO 39 Cg_endo -73.7  165.2  Favored 
1130 11 A SER 40 m       -99.0  161.4  Favored 
1131 11 A LYS 41 mttt    -55.6  -26.1  Favored 
1132 11 A SER 42 m       -79.2  -16.0  Favored 
1133 11 A CYS 43 m       -76.8  163.3  Favored 
1134 11 A GLN 44 mm-40   -74.4  51.2   Allowed 
1135 11 A VAL 45 t       -74.5  128.5  Favored 
1136 11 A GLU 46 tt0     -153.1 135.6  Favored 
1137 11 A ASN 47 t30     44.9   37.8   Favored 
1138 11 A GLY 48 ?       79.3   14.0   Favored 
1139 11 A ARG 49 mpt_?   -131.3 166.8  Favored 
1140 11 A VAL 50 t       -139.5 139.4  Favored 
1141 11 A ILE 51 mt      -75.4  127.7  Favored 
1142 11 A ALA 52 ?       -83.3  152.1  Favored 
1143 11 A CYS 53 t       -70.3  109.3  Favored 
1144 11 A PHE 54 t80     -59.7  -42.5  Favored 
1145 11 A ASP 55 m-20    -60.6  -42.6  Favored 
1146 11 A SER 56 t       -66.2  -40.5  Favored 
1147 11 A LEU 57 mt      -60.7  -33.0  Favored 
1148 11 A LYS 58 mmtt    -83.6  1.9    Favored 
1149 11 A GLY 59 ?       90.1   8.6    Favored 
1150 11 A ARG 60 tpt85   -154.2 92.7   Allowed 
1151 11 A CYS 61 t       -54.2  136.5  Favored 
1152 11 A SER 62 m       -137.4 34.3   Favored 
1153 11 A ARG 63 mpt_?   -123.4 139.2  Favored 
1154 11 A GLU 64 tp10    -77.7  -31.4  Favored 
1155 11 A ASN 65 t30     -132.3 76.1   Allowed 
1156 11 A CYS 66 t       -79.7  112.0  Favored 
1157 11 A LYS 67 pttt    -100.3 6.2    Favored 
1158 11 A TYR 68 m-85    -104.6 168.9  Favored 
1159 11 A LEU 69 tp      -84.8  135.2  Favored 
1160 11 A HIS 70 m170    -103.5 104.6  Favored 
1161 11 A PRO 71 Cg_endo -87.5  159.1  Favored 
1162 11 A PRO 72 Cg_endo -73.6  160.3  Favored 
1163 11 A PRO 73 Cg_exo  -45.4  -43.8  Favored 
1164 11 A HIS 74 p-80    -61.7  -31.6  Favored 
1165 11 A LEU 75 mt      -86.0  -31.4  Favored 
1166 11 A LYS 76 mttt    -57.4  -40.3  Favored 
1167 11 A THR 77 m       -59.9  -41.6  Favored 
1168 11 A GLN 78 mm-40   -66.4  -38.9  Favored 
1169 11 A LEU 79 OUTLIER -61.6  -46.5  Favored 
1170 11 A GLU 80 mt-10   -62.7  -39.4  Favored 
1171 11 A ILE 81 mt      -62.7  -47.2  Favored 
1172 11 A ASN 82 OUTLIER -62.7  -37.3  Favored 
1173 11 A GLY 83 ?       -75.0  -53.3  Favored 
1174 11 A ARG 84 ttp180  -61.4  -30.6  Favored 
1175 11 A ASN 85 t30     -55.1  -34.1  Favored 
1176 11 A ASN 86 m-20    -73.6  -25.5  Favored 
1177 11 A LEU 87 mt      -85.2  -33.9  Favored 
1178 11 A ILE 88 mt      -64.2  -35.0  Favored 
1179 11 A GLN 89 mt-30   -63.7  154.9  Favored 
1180 11 A GLN 90 tt0     -52.8  -27.6  Favored 
1181 11 A LYS 91 mmmm    -63.0  -23.9  Favored 
1182 11 A ASN 92 t-20    ?      ?      ?       
1200 12 A MET 1  pmm?    ?      ?      ?       
1201 12 A ALA 2  ?       -134.3 13.2   Favored 
1202 12 A VAL 3  m       -140.6 161.0  Favored 
1203 12 A SER 4  t       -125.3 -177.3 Favored 
1204 12 A VAL 5  t       -62.5  135.1  Favored 
1205 12 A THR 6  m       -104.4 137.6  Favored 
1206 12 A PRO 7  Cg_exo  -51.4  -35.7  Favored 
1207 12 A ILE 8  pt      -120.1 160.1  Favored 
1208 12 A ARG 9  ptp180  -58.3  107.7  Allowed 
1209 12 A ASP 10 t70     -57.4  99.9   OUTLIER 
1210 12 A THR 11 p       -61.0  -18.6  Favored 
1211 12 A LYS 12 mmmt    -66.0  -26.6  Favored 
1212 12 A TRP 13 p-90    -77.3  -25.0  Favored 
1213 12 A LEU 14 mt      -86.8  -18.1  Favored 
1214 12 A THR 15 p       -79.8  149.9  Favored 
1215 12 A LEU 16 mt      -131.9 140.7  Favored 
1216 12 A GLU 17 mt-10   -74.3  147.8  Favored 
1217 12 A VAL 18 t       -89.5  140.0  Favored 
1218 12 A CYS 19 t       -59.2  132.7  Favored 
1219 12 A ARG 20 ttt180  -65.2  -38.8  Favored 
1220 12 A GLU 21 mt-10   -74.8  -31.1  Favored 
1221 12 A PHE 22 t80     -63.7  -42.5  Favored 
1222 12 A GLN 23 mt-30   -61.7  -16.1  Favored 
1223 12 A ARG 24 mmt-85  -115.2 0.1    Favored 
1224 12 A GLY 25 ?       70.3   29.6   Favored 
1225 12 A THR 26 p       -118.1 -7.7   Favored 
1226 12 A CYS 27 t       -71.0  150.0  Favored 
1227 12 A SER 28 m       -139.8 59.8   Allowed 
1228 12 A ARG 29 mtt180  -154.9 149.1  Favored 
1229 12 A PRO 30 Cg_endo -72.8  159.7  Favored 
1230 12 A ASP 31 t70     -51.1  -33.7  Favored 
1231 12 A THR 32 m       -62.8  -26.1  Favored 
1232 12 A GLU 33 mt-10   -120.1 -15.6  Favored 
1233 12 A CYS 34 t       -75.3  158.9  Favored 
1234 12 A LYS 35 ttpt    -72.8  -16.2  Favored 
1235 12 A PHE 36 m-85    -135.7 -179.9 Favored 
1236 12 A ALA 37 ?       -89.8  146.5  Favored 
1237 12 A HIS 38 m170    -120.2 70.3   Favored 
1238 12 A PRO 39 Cg_endo -71.7  165.2  Favored 
1239 12 A SER 40 m       -99.8  165.3  Favored 
1240 12 A LYS 41 tppt?   -55.7  -27.2  Favored 
1241 12 A SER 42 m       -85.8  -8.8   Favored 
1242 12 A CYS 43 m       -78.0  163.6  Favored 
1243 12 A GLN 44 mm-40   -72.6  45.2   Allowed 
1244 12 A VAL 45 t       -70.5  121.2  Favored 
1245 12 A GLU 46 tt0     -152.4 134.7  Favored 
1246 12 A ASN 47 t30     46.5   36.2   Favored 
1247 12 A GLY 48 ?       78.5   13.8   Favored 
1248 12 A ARG 49 mpt_?   -130.6 167.4  Favored 
1249 12 A VAL 50 t       -139.2 136.0  Favored 
1250 12 A ILE 51 mt      -74.8  129.7  Favored 
1251 12 A ALA 52 ?       -78.6  151.3  Favored 
1252 12 A CYS 53 t       -76.0  106.2  Favored 
1253 12 A PHE 54 t80     -56.8  -37.3  Favored 
1254 12 A ASP 55 m-20    -65.2  -33.5  Favored 
1255 12 A SER 56 t       -70.1  -39.3  Favored 
1256 12 A LEU 57 mt      -60.4  -33.1  Favored 
1257 12 A LYS 58 ttmm    -77.4  -10.0  Favored 
1258 12 A GLY 59 ?       90.1   10.3   Favored 
1259 12 A ARG 60 tpp180  -154.9 91.7   Allowed 
1260 12 A CYS 61 t       -55.9  137.2  Favored 
1261 12 A SER 62 p       -149.0 19.8   Allowed 
1262 12 A ARG 63 tpp180  -83.9  125.5  Favored 
1263 12 A GLU 64 OUTLIER -53.7  -26.9  Favored 
1264 12 A ASN 65 t30     -146.2 80.4   Allowed 
1265 12 A CYS 66 t       -79.8  132.7  Favored 
1266 12 A LYS 67 pttt    -134.0 3.3    Favored 
1267 12 A TYR 68 m-85    -94.2  170.0  Favored 
1268 12 A LEU 69 tp      -84.7  135.1  Favored 
1269 12 A HIS 70 m170    -99.5  104.8  Favored 
1270 12 A PRO 71 Cg_endo -82.3  146.1  Favored 
1271 12 A PRO 72 Cg_endo -70.1  162.0  Favored 
1272 12 A PRO 73 Cg_exo  -43.1  -42.3  Favored 
1273 12 A HIS 74 p-80    -66.4  -45.2  Favored 
1274 12 A LEU 75 mt      -72.1  -33.9  Favored 
1275 12 A LYS 76 ttmt    -61.1  -39.8  Favored 
1276 12 A THR 77 m       -66.8  -42.6  Favored 
1277 12 A GLN 78 mt-30   -62.2  -36.7  Favored 
1278 12 A LEU 79 OUTLIER -61.9  -49.0  Favored 
1279 12 A GLU 80 tt0     -57.9  -42.8  Favored 
1280 12 A ILE 81 mt      -64.0  -47.6  Favored 
1281 12 A ASN 82 m-80    -62.4  -41.4  Favored 
1282 12 A GLY 83 ?       -59.1  -56.4  Favored 
1283 12 A ARG 84 mtm180  -61.4  -36.6  Favored 
1284 12 A ASN 85 t-20    -59.2  -44.7  Favored 
1285 12 A ASN 86 m-80    -70.2  -39.8  Favored 
1286 12 A LEU 87 tp      -62.6  -25.0  Favored 
1287 12 A ILE 88 mt      -64.2  -35.4  Favored 
1288 12 A GLN 89 mm-40   61.8   141.9  OUTLIER 
1289 12 A GLN 90 pt20    -70.0  -24.4  Favored 
1290 12 A LYS 91 mmmt    -74.1  -19.7  Favored 
1291 12 A ASN 92 t-20    ?      ?      ?       
1309 13 A MET 1  mtp     ?      ?      ?       
1310 13 A ALA 2  ?       -132.6 2.4    Favored 
1311 13 A VAL 3  t       -142.4 144.0  Favored 
1312 13 A SER 4  p       -158.8 169.8  Favored 
1313 13 A VAL 5  t       -138.8 148.1  Favored 
1314 13 A THR 6  m       -62.4  135.8  Favored 
1315 13 A PRO 7  Cg_exo  -47.4  -45.6  Favored 
1316 13 A ILE 8  pt      -120.3 147.6  Favored 
1317 13 A ARG 9  mtt180  -149.0 172.4  Favored 
1318 13 A ASP 10 t0      -142.6 100.0  Favored 
1319 13 A THR 11 p       -64.2  -17.9  Favored 
1320 13 A LYS 12 OUTLIER -58.5  -30.4  Favored 
1321 13 A TRP 13 p-90    -80.4  -15.4  Favored 
1322 13 A LEU 14 mt      -105.5 -15.2  Favored 
1323 13 A THR 15 p       -79.9  151.1  Favored 
1324 13 A LEU 16 mt      -131.8 150.7  Favored 
1325 13 A GLU 17 tt0     -87.8  139.2  Favored 
1326 13 A VAL 18 t       -79.7  140.0  Favored 
1327 13 A CYS 19 t       -56.6  130.4  Favored 
1328 13 A ARG 20 mmm180  -65.1  -33.4  Favored 
1329 13 A GLU 21 mt-10   -80.1  -32.2  Favored 
1330 13 A PHE 22 t80     -62.6  -39.4  Favored 
1331 13 A GLN 23 mt-30   -60.3  -16.0  Favored 
1332 13 A ARG 24 mmt-85  -116.9 0.1    Favored 
1333 13 A GLY 25 ?       73.8   14.8   Favored 
1334 13 A THR 26 m       -87.0  -28.3  Favored 
1335 13 A CYS 27 t       -67.3  141.0  Favored 
1336 13 A SER 28 p       -140.0 59.8   Allowed 
1337 13 A ARG 29 ttm180  -151.6 142.7  Favored 
1338 13 A PRO 30 Cg_endo -69.2  154.6  Favored 
1339 13 A ASP 31 t70     -51.2  -33.6  Favored 
1340 13 A THR 32 m       -64.3  -23.4  Favored 
1341 13 A GLU 33 tt0     -119.9 -21.6  Favored 
1342 13 A CYS 34 t       -70.5  156.2  Favored 
1343 13 A LYS 35 tttp    -69.3  -22.0  Favored 
1344 13 A PHE 36 m-85    -132.2 -179.9 Favored 
1345 13 A ALA 37 ?       -89.7  145.4  Favored 
1346 13 A HIS 38 m170    -120.2 73.4   Favored 
1347 13 A PRO 39 Cg_endo -70.1  165.2  Favored 
1348 13 A SER 40 p       -100.4 171.7  Favored 
1349 13 A LYS 41 OUTLIER -59.2  -21.0  Favored 
1350 13 A SER 42 m       -91.7  -16.3  Favored 
1351 13 A CYS 43 m       -68.9  152.9  Favored 
1352 13 A GLN 44 mm-40   -78.1  52.5   Allowed 
1353 13 A VAL 45 t       -70.9  131.2  Favored 
1354 13 A GLU 46 tp10    -153.9 135.9  Favored 
1355 13 A ASN 47 OUTLIER 45.1   38.2   Favored 
1356 13 A GLY 48 ?       78.2   12.5   Favored 
1357 13 A ARG 49 mmt85   -126.2 162.2  Favored 
1358 13 A VAL 50 t       -141.6 139.9  Favored 
1359 13 A ILE 51 mt      -74.4  130.0  Favored 
1360 13 A ALA 52 ?       -91.6  149.1  Favored 
1361 13 A CYS 53 t       -67.4  109.0  Favored 
1362 13 A PHE 54 t80     -57.7  -42.6  Favored 
1363 13 A ASP 55 m-20    -62.1  -45.5  Favored 
1364 13 A SER 56 t       -66.2  -39.9  Favored 
1365 13 A LEU 57 mt      -58.2  -31.2  Favored 
1366 13 A LYS 58 mttt    -92.1  9.2    Favored 
1367 13 A GLY 59 ?       90.0   4.3    Favored 
1368 13 A ARG 60 tpm_?   -152.0 93.0   Allowed 
1369 13 A CYS 61 t       -60.4  129.2  Favored 
1370 13 A SER 62 p       -154.3 19.7   Allowed 
1371 13 A ARG 63 OUTLIER -67.0  128.7  Favored 
1372 13 A GLU 64 tt0     -60.7  -23.6  Favored 
1373 13 A ASN 65 OUTLIER -144.9 82.4   Allowed 
1374 13 A CYS 66 t       -79.8  112.6  Favored 
1375 13 A LYS 67 pttt    -134.0 14.5   Favored 
1376 13 A TYR 68 m-85    -100.9 170.2  Favored 
1377 13 A LEU 69 tp      -84.6  135.1  Favored 
1378 13 A HIS 70 m170    -104.6 104.7  Favored 
1379 13 A PRO 71 Cg_endo -89.5  161.2  Favored 
1380 13 A PRO 72 Cg_endo -72.5  162.2  Favored 
1381 13 A PRO 73 Cg_exo  -44.2  -41.9  Favored 
1382 13 A HIS 74 p-80    -64.4  -39.4  Favored 
1383 13 A LEU 75 mt      -77.3  -32.3  Favored 
1384 13 A LYS 76 mttt    -59.6  -43.2  Favored 
1385 13 A THR 77 m       -62.2  -44.5  Favored 
1386 13 A GLN 78 tp60    -61.3  -37.8  Favored 
1387 13 A LEU 79 tm?     -66.5  -45.4  Favored 
1388 13 A GLU 80 mt-10   -61.7  -35.7  Favored 
1389 13 A ILE 81 mt      -65.3  -47.1  Favored 
1390 13 A ASN 82 t-20    -56.9  -47.8  Favored 
1391 13 A GLY 83 ?       -63.1  -51.3  Favored 
1392 13 A ARG 84 mtm180  -59.3  -40.6  Favored 
1393 13 A ASN 85 t-20    -63.4  -35.6  Favored 
1394 13 A ASN 86 t30     -71.5  -33.2  Favored 
1395 13 A LEU 87 mt      -64.3  -40.6  Favored 
1396 13 A ILE 88 mt      -68.3  -24.5  Favored 
1397 13 A GLN 89 tt0     56.4   36.8   Favored 
1398 13 A GLN 90 tt0     -53.3  -28.9  Favored 
1399 13 A LYS 91 tttp    -61.8  -27.9  Favored 
1400 13 A ASN 92 t-20    ?      ?      ?       
1418 14 A MET 1  pmm?    ?      ?      ?       
1419 14 A ALA 2  ?       -66.6  -18.4  Favored 
1420 14 A VAL 3  m       -141.3 163.1  Favored 
1421 14 A SER 4  p       -152.0 168.4  Favored 
1422 14 A VAL 5  m       -141.2 162.6  Favored 
1423 14 A THR 6  m       -62.5  135.5  Favored 
1424 14 A PRO 7  Cg_exo  -55.8  165.4  Favored 
1425 14 A ILE 8  tt      -79.9  158.1  Favored 
1426 14 A ARG 9  mtt85   -113.5 135.9  Favored 
1427 14 A ASP 10 t0      -153.4 125.2  Favored 
1428 14 A THR 11 p       -68.4  -21.8  Favored 
1429 14 A LYS 12 tppt?   -57.4  -32.8  Favored 
1430 14 A TRP 13 p-90    -82.4  -21.5  Favored 
1431 14 A LEU 14 mt      -93.9  -14.3  Favored 
1432 14 A THR 15 p       -79.8  147.8  Favored 
1433 14 A LEU 16 mt      -136.2 140.3  Favored 
1434 14 A GLU 17 mt-10   -71.9  146.5  Favored 
1435 14 A VAL 18 t       -86.6  140.0  Favored 
1436 14 A CYS 19 t       -62.2  126.6  Favored 
1437 14 A ARG 20 mtp180  -61.9  -39.9  Favored 
1438 14 A GLU 21 mm-40   -70.4  -26.6  Favored 
1439 14 A PHE 22 t80     -70.7  -42.7  Favored 
1440 14 A GLN 23 mt-30   -63.7  -38.3  Favored 
1441 14 A ARG 24 ttt180  -70.0  -20.5  Favored 
1442 14 A GLY 25 ?       80.0   31.6   Favored 
1443 14 A THR 26 p       -124.3 -18.2  Favored 
1444 14 A CYS 27 t       -62.0  140.5  Favored 
1445 14 A SER 28 m       -137.6 59.8   Allowed 
1446 14 A ARG 29 mmt-85  -149.8 150.4  Favored 
1447 14 A PRO 30 Cg_endo -73.3  155.9  Favored 
1448 14 A ASP 31 t70     -52.7  -32.9  Favored 
1449 14 A THR 32 m       -61.8  -25.4  Favored 
1450 14 A GLU 33 mt-10   -120.0 -20.2  Favored 
1451 14 A CYS 34 t       -71.9  153.2  Favored 
1452 14 A LYS 35 pttt    -72.2  -10.4  Favored 
1453 14 A PHE 36 m-85    -138.4 -179.9 Favored 
1454 14 A ALA 37 ?       -89.9  146.9  Favored 
1455 14 A HIS 38 m170    -120.1 78.3   Favored 
1456 14 A PRO 39 Cg_endo -65.7  165.1  Favored 
1457 14 A SER 40 p       -105.4 175.7  Favored 
1458 14 A LYS 41 mmtt    -63.8  -20.5  Favored 
1459 14 A SER 42 m       -91.6  -18.0  Favored 
1460 14 A CYS 43 m       -65.8  137.8  Favored 
1461 14 A GLN 44 mm-40   -81.5  55.6   Favored 
1462 14 A VAL 45 t       -63.2  134.1  Favored 
1463 14 A GLU 46 pt-20   -155.0 146.3  Favored 
1464 14 A ASN 47 OUTLIER 46.9   32.4   Allowed 
1465 14 A GLY 48 ?       78.5   14.5   Favored 
1466 14 A ARG 49 mpt_?   -129.8 164.5  Favored 
1467 14 A VAL 50 t       -131.3 139.2  Favored 
1468 14 A ILE 51 mp      -78.6  126.2  Favored 
1469 14 A ALA 52 ?       -78.6  149.1  Favored 
1470 14 A CYS 53 t       -70.4  112.0  Favored 
1471 14 A PHE 54 t80     -58.6  -39.5  Favored 
1472 14 A ASP 55 m-20    -71.6  -29.9  Favored 
1473 14 A SER 56 t       -68.6  -41.8  Favored 
1474 14 A LEU 57 mt      -62.5  -33.0  Favored 
1475 14 A LYS 58 ttmm    -74.7  -10.0  Favored 
1476 14 A GLY 59 ?       89.8   6.6    Favored 
1477 14 A ARG 60 tmm_?   -154.9 92.1   Allowed 
1478 14 A CYS 61 t       -54.3  133.2  Favored 
1479 14 A SER 62 p       -135.9 28.5   Favored 
1480 14 A ARG 63 mmt-85  -118.2 113.6  Favored 
1481 14 A GLU 64 pm0     -63.5  -18.4  Favored 
1482 14 A ASN 65 t30     -134.1 67.9   Allowed 
1483 14 A CYS 66 t       -79.7  129.2  Favored 
1484 14 A LYS 67 pttt    -132.1 19.6   Favored 
1485 14 A TYR 68 m-85    -114.6 168.2  Favored 
1486 14 A LEU 69 tp      -84.7  135.1  Favored 
1487 14 A HIS 70 m170    -96.8  104.7  Favored 
1488 14 A PRO 71 Cg_endo -81.4  143.2  Favored 
1489 14 A PRO 72 Cg_endo -73.4  162.0  Favored 
1490 14 A PRO 73 Cg_exo  -43.4  -43.3  Favored 
1491 14 A HIS 74 p-80    -64.0  -32.6  Favored 
1492 14 A LEU 75 mt      -84.7  -27.6  Favored 
1493 14 A LYS 76 mttm    -57.6  -39.6  Favored 
1494 14 A THR 77 m       -60.5  -44.7  Favored 
1495 14 A GLN 78 mm100   -63.9  -37.3  Favored 
1496 14 A LEU 79 OUTLIER -63.9  -44.4  Favored 
1497 14 A GLU 80 mt-10   -62.7  -41.3  Favored 
1498 14 A ILE 81 mt      -63.4  -47.4  Favored 
1499 14 A ASN 82 t30     -59.5  -41.1  Favored 
1500 14 A GLY 83 ?       -52.7  -60.1  Favored 
1501 14 A ARG 84 mmt180  -65.3  -38.8  Favored 
1502 14 A ASN 85 t-20    -61.0  -42.5  Favored 
1503 14 A ASN 86 t30     -69.6  -36.7  Favored 
1504 14 A LEU 87 tp      -64.8  -39.8  Favored 
1505 14 A ILE 88 mt      -67.2  -20.1  Favored 
1506 14 A GLN 89 mt-30   64.8   30.4   Favored 
1507 14 A GLN 90 tm0?    -58.8  -30.0  Favored 
1508 14 A LYS 91 mttp    -65.5  -20.1  Favored 
1509 14 A ASN 92 t30     ?      ?      ?       
1527 15 A MET 1  ptp     ?      ?      ?       
1528 15 A ALA 2  ?       -67.2  -17.0  Favored 
1529 15 A VAL 3  p       -151.5 154.2  Favored 
1530 15 A SER 4  t       -160.0 179.4  Favored 
1531 15 A VAL 5  p       -146.9 149.4  Favored 
1532 15 A THR 6  m       -63.5  134.5  Favored 
1533 15 A PRO 7  Cg_endo -68.4  161.2  Favored 
1534 15 A ILE 8  OUTLIER -120.0 160.0  Favored 
1535 15 A ARG 9  mtt85   -125.7 152.1  Favored 
1536 15 A ASP 10 t0      -154.2 106.8  Favored 
1537 15 A THR 11 p       -56.9  -21.1  Favored 
1538 15 A LYS 12 tttm    -59.0  -29.1  Favored 
1539 15 A TRP 13 p-90    -87.2  -28.8  Favored 
1540 15 A LEU 14 mt      -77.4  -18.1  Favored 
1541 15 A THR 15 p       -79.7  150.3  Favored 
1542 15 A LEU 16 mt      -131.8 136.2  Favored 
1543 15 A GLU 17 mt-10   -74.5  149.5  Favored 
1544 15 A VAL 18 t       -92.5  138.2  Favored 
1545 15 A CYS 19 t       -59.8  123.6  Favored 
1546 15 A ARG 20 mmt-85  -64.3  -38.8  Favored 
1547 15 A GLU 21 mm-40   -69.8  -27.2  Favored 
1548 15 A PHE 22 t80     -68.8  -44.9  Favored 
1549 15 A GLN 23 mm-40   -64.8  -34.9  Favored 
1550 15 A ARG 24 ttp85   -75.1  -14.1  Favored 
1551 15 A GLY 25 ?       80.0   35.2   Favored 
1552 15 A THR 26 m       -124.6 -29.4  Favored 
1553 15 A CYS 27 t       -61.2  139.8  Favored 
1554 15 A SER 28 m       -138.2 59.9   Allowed 
1555 15 A ARG 29 mtp85   -145.9 147.7  Favored 
1556 15 A PRO 30 Cg_endo -73.0  154.6  Favored 
1557 15 A ASP 31 t70     -52.1  -34.9  Favored 
1558 15 A THR 32 m       -60.2  -25.0  Favored 
1559 15 A GLU 33 mt-10   -120.1 -18.5  Favored 
1560 15 A CYS 34 t       -78.2  145.5  Favored 
1561 15 A LYS 35 mtpt    -63.0  -14.6  Favored 
1562 15 A PHE 36 m-85    -134.5 -180.0 Favored 
1563 15 A ALA 37 ?       -89.9  146.4  Favored 
1564 15 A HIS 38 m170    -120.1 66.4   Favored 
1565 15 A PRO 39 Cg_endo -73.1  165.1  Favored 
1566 15 A SER 40 m       -103.4 165.1  Favored 
1567 15 A LYS 41 mttm    -55.7  -24.2  Favored 
1568 15 A SER 42 m       -73.6  -20.1  Favored 
1569 15 A CYS 43 m       -80.8  162.0  Favored 
1570 15 A GLN 44 tp60    -73.4  46.5   Allowed 
1571 15 A VAL 45 t       -70.5  128.2  Favored 
1572 15 A GLU 46 tt0     -154.9 139.8  Favored 
1573 15 A ASN 47 t30     41.3   35.9   Allowed 
1574 15 A GLY 48 ?       84.5   14.2   Favored 
1575 15 A ARG 49 ppt_?   -143.4 166.3  Favored 
1576 15 A VAL 50 t       -138.0 139.8  Favored 
1577 15 A ILE 51 mt      -75.7  126.7  Favored 
1578 15 A ALA 52 ?       -81.8  148.8  Favored 
1579 15 A CYS 53 t       -69.4  113.0  Favored 
1580 15 A PHE 54 t80     -59.8  -40.0  Favored 
1581 15 A ASP 55 m-20    -67.9  -35.9  Favored 
1582 15 A SER 56 t       -67.9  -40.3  Favored 
1583 15 A LEU 57 mt      -60.4  -32.4  Favored 
1584 15 A LYS 58 mtpp    -80.7  -4.5   Favored 
1585 15 A GLY 59 ?       90.0   7.7    Favored 
1586 15 A ARG 60 tmt_?   -153.2 91.9   Allowed 
1587 15 A CYS 61 t       -57.4  132.1  Favored 
1588 15 A SER 62 m       -137.9 19.9   Favored 
1589 15 A ARG 63 tpp180  -87.1  133.4  Favored 
1590 15 A GLU 64 mm-40   -62.8  -29.3  Favored 
1591 15 A ASN 65 t30     -147.3 86.0   Allowed 
1592 15 A CYS 66 t       -79.8  132.6  Favored 
1593 15 A LYS 67 pttp    -134.0 5.1    Favored 
1594 15 A TYR 68 m-85    -96.4  169.6  Favored 
1595 15 A LEU 69 tp      -84.7  135.0  Favored 
1596 15 A HIS 70 m170    -99.0  104.8  Favored 
1597 15 A PRO 71 Cg_endo -83.5  142.2  Favored 
1598 15 A PRO 72 Cg_endo -70.0  162.6  Favored 
1599 15 A PRO 73 Cg_exo  -43.0  -45.4  Favored 
1600 15 A HIS 74 p-80    -66.4  -38.5  Favored 
1601 15 A LEU 75 mt      -71.3  -28.0  Favored 
1602 15 A LYS 76 mtpt    -61.9  -39.4  Favored 
1603 15 A THR 77 m       -64.9  -43.8  Favored 
1604 15 A GLN 78 mt-30   -60.5  -39.4  Favored 
1605 15 A LEU 79 tm?     -63.6  -47.8  Favored 
1606 15 A GLU 80 mt-10   -60.0  -39.7  Favored 
1607 15 A ILE 81 mt      -62.9  -46.4  Favored 
1608 15 A ASN 82 m-80    -61.7  -42.3  Favored 
1609 15 A GLY 83 ?       -58.0  -60.0  Favored 
1610 15 A ARG 84 mtm-85  -61.6  -34.9  Favored 
1611 15 A ASN 85 t-20    -70.1  -43.3  Favored 
1612 15 A ASN 86 t30     -68.2  -34.1  Favored 
1613 15 A LEU 87 tp      -56.3  -32.2  Favored 
1614 15 A ILE 88 mt      -64.1  -19.0  Favored 
1615 15 A GLN 89 tt0     -142.5 45.5   Allowed 
1616 15 A GLN 90 OUTLIER -49.8  -22.4  Allowed 
1617 15 A LYS 91 ptpp?   -59.4  -30.0  Favored 
1618 15 A ASN 92 t30     ?      ?      ?       
1636 16 A MET 1  ptp     ?      ?      ?       
1637 16 A ALA 2  ?       -149.9 166.1  Favored 
1638 16 A VAL 3  p       -151.5 158.0  Favored 
1639 16 A SER 4  p       -151.3 161.1  Favored 
1640 16 A VAL 5  p       -158.0 161.6  Allowed 
1641 16 A THR 6  t       -62.4  143.2  Favored 
1642 16 A PRO 7  Cg_exo  -54.2  161.4  Favored 
1643 16 A ILE 8  OUTLIER -79.8  160.1  Favored 
1644 16 A ARG 9  ptp85   -140.1 177.3  Favored 
1645 16 A ASP 10 t0      -142.8 99.9   Favored 
1646 16 A THR 11 p       -59.6  -16.4  Favored 
1647 16 A LYS 12 tttm    -51.3  -32.0  Favored 
1648 16 A TRP 13 p-90    -87.8  -26.2  Favored 
1649 16 A LEU 14 mt      -86.5  -14.0  Favored 
1650 16 A THR 15 p       -79.8  152.7  Favored 
1651 16 A LEU 16 mt      -139.1 146.3  Favored 
1652 16 A GLU 17 tt0     -82.6  140.8  Favored 
1653 16 A VAL 18 t       -87.6  140.0  Favored 
1654 16 A CYS 19 t       -58.5  134.7  Favored 
1655 16 A ARG 20 ttp180  -64.8  -45.7  Favored 
1656 16 A GLU 21 mm-40   -68.0  -26.1  Favored 
1657 16 A PHE 22 t80     -69.9  -44.4  Favored 
1658 16 A GLN 23 mt-30   -64.1  -35.0  Favored 
1659 16 A ARG 24 ttt-85  -69.5  -19.5  Favored 
1660 16 A GLY 25 ?       80.0   35.0   Favored 
1661 16 A THR 26 m       -122.8 -35.0  Favored 
1662 16 A CYS 27 t       -64.2  135.0  Favored 
1663 16 A SER 28 m       -139.8 59.7   Allowed 
1664 16 A ARG 29 mtp180  -148.6 153.8  Favored 
1665 16 A PRO 30 Cg_endo -70.8  152.1  Favored 
1666 16 A ASP 31 p-10    -55.5  -25.2  Favored 
1667 16 A THR 32 m       -66.4  -30.1  Favored 
1668 16 A GLU 33 mt-10   -99.3  -31.9  Favored 
1669 16 A CYS 34 t       -72.3  170.0  Favored 
1670 16 A LYS 35 mttt    -86.6  -12.0  Favored 
1671 16 A PHE 36 m-85    -139.1 -179.8 Favored 
1672 16 A ALA 37 ?       -89.7  145.1  Favored 
1673 16 A HIS 38 m170    -120.1 74.1   Favored 
1674 16 A PRO 39 Cg_endo -72.4  165.1  Favored 
1675 16 A SER 40 m       -94.5  160.5  Favored 
1676 16 A LYS 41 mtpp    -57.7  -22.8  Favored 
1677 16 A SER 42 p       -78.9  -23.8  Favored 
1678 16 A CYS 43 m       -70.0  160.2  Favored 
1679 16 A GLN 44 mm100   -75.5  54.7   Allowed 
1680 16 A VAL 45 t       -75.3  130.8  Favored 
1681 16 A GLU 46 tp10    -150.1 134.8  Favored 
1682 16 A ASN 47 OUTLIER 40.8   32.0   Allowed 
1683 16 A GLY 48 ?       91.0   14.0   Favored 
1684 16 A ARG 49 mmm180  -130.2 162.5  Favored 
1685 16 A VAL 50 t       -139.7 138.8  Favored 
1686 16 A ILE 51 mp      -77.0  127.0  Favored 
1687 16 A ALA 52 ?       -80.0  152.0  Favored 
1688 16 A CYS 53 t       -72.8  106.0  Favored 
1689 16 A PHE 54 t80     -55.4  -37.2  Favored 
1690 16 A ASP 55 m-20    -68.5  -31.1  Favored 
1691 16 A SER 56 t       -69.4  -37.7  Favored 
1692 16 A LEU 57 mm?     -61.2  -33.1  Favored 
1693 16 A LYS 58 mttt    -80.5  -3.0   Favored 
1694 16 A GLY 59 ?       81.6   11.8   Favored 
1695 16 A ARG 60 tpt180  -153.4 89.1   Allowed 
1696 16 A CYS 61 t       -51.4  126.2  Favored 
1697 16 A SER 62 m       -142.1 19.8   Favored 
1698 16 A ARG 63 mmm180  -77.2  145.3  Favored 
1699 16 A GLU 64 tt0     -61.0  -39.0  Favored 
1700 16 A ASN 65 t30     -144.8 92.2   Favored 
1701 16 A CYS 66 t       -80.0  114.7  Favored 
1702 16 A LYS 67 OUTLIER -134.2 35.5   Favored 
1703 16 A TYR 68 m-85    -117.4 168.2  Favored 
1704 16 A LEU 69 tp      -84.8  135.1  Favored 
1705 16 A HIS 70 m170    -96.2  105.0  Favored 
1706 16 A PRO 71 Cg_endo -78.4  135.1  Favored 
1707 16 A PRO 72 Cg_endo -70.4  163.4  Favored 
1708 16 A PRO 73 Cg_exo  -43.0  -43.5  Favored 
1709 16 A HIS 74 p-80    -67.9  -44.8  Favored 
1710 16 A LEU 75 mt      -71.7  -32.8  Favored 
1711 16 A LYS 76 ttmt    -60.9  -38.5  Favored 
1712 16 A THR 77 m       -67.9  -43.8  Favored 
1713 16 A GLN 78 OUTLIER -61.2  -35.5  Favored 
1714 16 A LEU 79 tm?     -64.9  -50.5  Favored 
1715 16 A GLU 80 pt-20   -64.3  -32.4  Favored 
1716 16 A ILE 81 mt      -66.3  -48.0  Favored 
1717 16 A ASN 82 t30     -59.2  -43.8  Favored 
1718 16 A GLY 83 ?       -54.8  -58.9  Favored 
1719 16 A ARG 84 OUTLIER -55.7  -50.3  Favored 
1720 16 A ASN 85 t30     -56.8  -46.4  Favored 
1721 16 A ASN 86 t30     -68.4  -33.8  Favored 
1722 16 A LEU 87 tp      -66.2  -32.4  Favored 
1723 16 A ILE 88 mt      -75.5  -39.6  Favored 
1724 16 A GLN 89 mm-40   -157.9 118.7  Favored 
1725 16 A GLN 90 pt20    -58.0  -25.4  Favored 
1726 16 A LYS 91 tttt    -71.9  -21.3  Favored 
1727 16 A ASN 92 t30     ?      ?      ?       
1745 17 A MET 1  ttt     ?      ?      ?       
1746 17 A ALA 2  ?       -138.7 13.7   Favored 
1747 17 A VAL 3  m       -140.0 163.7  Favored 
1748 17 A SER 4  m       -153.9 162.0  Favored 
1749 17 A VAL 5  p       -150.8 157.2  Favored 
1750 17 A THR 6  m       -62.4  132.8  Favored 
1751 17 A PRO 7  Cg_exo  -53.8  157.5  Favored 
1752 17 A ILE 8  pt      -80.0  160.1  Favored 
1753 17 A ARG 9  ptp180  -54.7  124.1  Favored 
1754 17 A ASP 10 t0      -78.3  100.0  Favored 
1755 17 A THR 11 p       -63.0  -14.2  Favored 
1756 17 A LYS 12 tttp    -60.9  -29.9  Favored 
1757 17 A TRP 13 p-90    -78.6  -16.6  Favored 
1758 17 A LEU 14 mt      -98.5  -16.6  Favored 
1759 17 A THR 15 OUTLIER -79.8  146.3  Favored 
1760 17 A LEU 16 mt      -133.5 138.1  Favored 
1761 17 A GLU 17 tt0     -76.6  142.5  Favored 
1762 17 A VAL 18 t       -88.3  140.0  Favored 
1763 17 A CYS 19 t       -57.5  136.5  Favored 
1764 17 A ARG 20 ttt85   -63.7  -51.9  Favored 
1765 17 A GLU 21 mt-10   -63.4  -28.8  Favored 
1766 17 A PHE 22 t80     -66.2  -41.4  Favored 
1767 17 A GLN 23 mt-30   -68.0  -32.4  Favored 
1768 17 A ARG 24 mmt-85  -78.8  -11.8  Favored 
1769 17 A GLY 25 ?       78.2   29.8   Favored 
1770 17 A THR 26 p       -121.9 -18.7  Favored 
1771 17 A CYS 27 t       -64.2  135.8  Favored 
1772 17 A SER 28 m       -136.7 59.9   Allowed 
1773 17 A ARG 29 ptp180  -159.9 154.9  Favored 
1774 17 A PRO 30 Cg_endo -69.0  155.2  Favored 
1775 17 A ASP 31 p-10    -54.0  -31.9  Favored 
1776 17 A THR 32 m       -64.6  -26.2  Favored 
1777 17 A GLU 33 tt0     -100.7 -20.4  Favored 
1778 17 A CYS 34 t       -82.7  170.1  Favored 
1779 17 A LYS 35 pttp    -92.4  -8.0   Favored 
1780 17 A PHE 36 m-85    -142.4 -179.9 Favored 
1781 17 A ALA 37 ?       -89.6  148.4  Favored 
1782 17 A HIS 38 m170    -120.2 78.3   Favored 
1783 17 A PRO 39 Cg_endo -68.6  165.2  Favored 
1784 17 A SER 40 m       -105.4 169.3  Favored 
1785 17 A LYS 41 tppp?   -55.7  -31.1  Favored 
1786 17 A SER 42 m       -76.2  -19.4  Favored 
1787 17 A CYS 43 m       -71.5  142.1  Favored 
1788 17 A GLN 44 mm-40   -81.6  58.2   Favored 
1789 17 A VAL 45 t       -66.6  133.8  Favored 
1790 17 A GLU 46 pt-20   -154.1 144.9  Favored 
1791 17 A ASN 47 t30     43.4   32.0   Allowed 
1792 17 A GLY 48 ?       86.8   10.0   Favored 
1793 17 A ARG 49 OUTLIER -138.3 167.7  Favored 
1794 17 A VAL 50 t       -141.6 141.2  Favored 
1795 17 A ILE 51 mt      -73.9  126.6  Favored 
1796 17 A ALA 52 ?       -82.2  152.0  Favored 
1797 17 A CYS 53 t       -71.8  106.8  Favored 
1798 17 A PHE 54 t80     -57.0  -39.9  Favored 
1799 17 A ASP 55 m-20    -64.7  -42.4  Favored 
1800 17 A SER 56 t       -68.8  -37.8  Favored 
1801 17 A LEU 57 mt      -59.2  -26.0  Favored 
1802 17 A LYS 58 mttm    -98.3  7.2    Favored 
1803 17 A GLY 59 ?       90.0   6.3    Favored 
1804 17 A ARG 60 tpp180  -152.5 88.1   Allowed 
1805 17 A CYS 61 t       -53.4  128.1  Favored 
1806 17 A SER 62 m       -144.5 19.9   Allowed 
1807 17 A ARG 63 OUTLIER -71.4  143.1  Favored 
1808 17 A GLU 64 tt0     -63.8  -32.8  Favored 
1809 17 A ASN 65 t30     -146.5 94.4   Favored 
1810 17 A CYS 66 t       -79.8  113.5  Favored 
1811 17 A LYS 67 pttt    -127.6 12.5   Favored 
1812 17 A TYR 68 m-85    -104.1 169.6  Favored 
1813 17 A LEU 69 tp      -84.8  135.1  Favored 
1814 17 A HIS 70 m170    -102.0 104.7  Favored 
1815 17 A PRO 71 Cg_endo -85.7  160.6  Favored 
1816 17 A PRO 72 Cg_endo -74.3  158.6  Favored 
1817 17 A PRO 73 Cg_exo  -45.2  -43.5  Favored 
1818 17 A HIS 74 p-80    -62.7  -40.5  Favored 
1819 17 A LEU 75 tp      -79.5  -28.3  Favored 
1820 17 A LYS 76 mttt    -60.0  -40.0  Favored 
1821 17 A THR 77 m       -64.2  -44.8  Favored 
1822 17 A GLN 78 tp60    -61.0  -37.8  Favored 
1823 17 A LEU 79 tm?     -65.3  -46.8  Favored 
1824 17 A GLU 80 tm-20   -56.5  -44.5  Favored 
1825 17 A ILE 81 mt      -63.0  -45.5  Favored 
1826 17 A ASN 82 t30     -53.8  -45.2  Favored 
1827 17 A GLY 83 ?       -84.0  -44.9  Favored 
1828 17 A ARG 84 ttt-85  -61.1  -34.2  Favored 
1829 17 A ASN 85 t30     -59.8  -28.1  Favored 
1830 17 A ASN 86 t30     -80.5  -38.1  Favored 
1831 17 A LEU 87 mt      -61.3  -37.0  Favored 
1832 17 A ILE 88 mt      -65.5  -19.0  Favored 
1833 17 A GLN 89 mt-30   -122.4 29.7   Favored 
1834 17 A GLN 90 mt-30   -58.0  -24.6  Favored 
1835 17 A LYS 91 ttmm    -63.4  -29.9  Favored 
1836 17 A ASN 92 t30     ?      ?      ?       
1854 18 A MET 1  mpt?    ?      ?      ?       
1855 18 A ALA 2  ?       -136.9 5.7    Favored 
1856 18 A VAL 3  t       -140.9 146.2  Favored 
1857 18 A SER 4  p       -155.4 167.8  Favored 
1858 18 A VAL 5  m       -65.5  156.5  Favored 
1859 18 A THR 6  m       -62.5  129.6  Favored 
1860 18 A PRO 7  Cg_exo  -54.2  -32.4  Favored 
1861 18 A ILE 8  pt      -120.1 160.0  Favored 
1862 18 A ARG 9  mtt180  -69.2  171.2  Favored 
1863 18 A ASP 10 t0      -138.4 99.9   Favored 
1864 18 A THR 11 p       -68.1  -13.0  Favored 
1865 18 A LYS 12 tttt    -56.1  -27.4  Favored 
1866 18 A TRP 13 p-90    -86.6  -17.9  Favored 
1867 18 A LEU 14 mt      -94.1  -15.8  Favored 
1868 18 A THR 15 p       -79.8  152.2  Favored 
1869 18 A LEU 16 mt      -133.1 145.3  Favored 
1870 18 A GLU 17 mt-10   -80.2  141.4  Favored 
1871 18 A VAL 18 t       -81.9  139.7  Favored 
1872 18 A CYS 19 t       -57.7  132.8  Favored 
1873 18 A ARG 20 mtt-85  -65.3  -41.9  Favored 
1874 18 A GLU 21 mp0     -72.7  -26.9  Favored 
1875 18 A PHE 22 t80     -67.4  -42.7  Favored 
1876 18 A GLN 23 mt-30   -65.3  -35.6  Favored 
1877 18 A ARG 24 mtp180  -75.0  -16.4  Favored 
1878 18 A GLY 25 ?       79.0   31.0   Favored 
1879 18 A THR 26 p       -124.8 -13.7  Favored 
1880 18 A CYS 27 t       -64.9  145.5  Favored 
1881 18 A SER 28 p       -140.1 59.7   Allowed 
1882 18 A ARG 29 mtm180  -149.6 148.8  Favored 
1883 18 A PRO 30 Cg_endo -72.7  157.8  Favored 
1884 18 A ASP 31 t70     -51.3  -32.5  Favored 
1885 18 A THR 32 m       -64.3  -24.8  Favored 
1886 18 A GLU 33 mt-10   -120.0 -20.3  Favored 
1887 18 A CYS 34 t       -71.3  155.2  Favored 
1888 18 A LYS 35 mmmm    -74.8  -9.7   Favored 
1889 18 A PHE 36 m-85    -137.8 -179.9 Favored 
1890 18 A ALA 37 ?       -89.9  143.4  Favored 
1891 18 A HIS 38 m170    -120.1 71.1   Favored 
1892 18 A PRO 39 Cg_endo -71.6  165.1  Favored 
1893 18 A SER 40 m       -105.4 167.8  Favored 
1894 18 A LYS 41 mttm    -55.7  -26.3  Favored 
1895 18 A SER 42 m       -78.5  -16.4  Favored 
1896 18 A CYS 43 m       -77.9  157.0  Favored 
1897 18 A GLN 44 OUTLIER -76.3  50.1   Allowed 
1898 18 A VAL 45 t       -67.1  127.2  Favored 
1899 18 A GLU 46 tt0     -150.7 130.1  Favored 
1900 18 A ASN 47 t30     45.9   36.9   Favored 
1901 18 A GLY 48 ?       82.3   11.3   Favored 
1902 18 A ARG 49 mpt_?   -131.9 167.4  Favored 
1903 18 A VAL 50 t       -141.0 137.3  Favored 
1904 18 A ILE 51 mt      -74.9  129.5  Favored 
1905 18 A ALA 52 ?       -83.0  152.0  Favored 
1906 18 A CYS 53 t       -74.8  109.8  Favored 
1907 18 A PHE 54 t80     -57.4  -45.7  Favored 
1908 18 A ASP 55 m-20    -60.8  -38.4  Favored 
1909 18 A SER 56 t       -70.3  -39.9  Favored 
1910 18 A LEU 57 mt      -58.3  -29.6  Favored 
1911 18 A LYS 58 mmtm    -93.9  5.5    Favored 
1912 18 A GLY 59 ?       90.0   5.9    Favored 
1913 18 A ARG 60 tmt_?   -152.7 88.7   Allowed 
1914 18 A CYS 61 t       -52.9  126.2  Favored 
1915 18 A SER 62 m       -146.7 19.9   Allowed 
1916 18 A ARG 63 tpm_?   -65.0  145.1  Favored 
1917 18 A GLU 64 pt-20   -60.3  -30.9  Favored 
1918 18 A ASN 65 t30     -156.5 95.6   Allowed 
1919 18 A CYS 66 t       -80.0  112.0  Favored 
1920 18 A LYS 67 pttt    -132.2 0.7    Favored 
1921 18 A TYR 68 m-85    -89.9  167.7  Favored 
1922 18 A LEU 69 tp      -84.7  135.2  Favored 
1923 18 A HIS 70 m170    -101.7 104.7  Favored 
1924 18 A PRO 71 Cg_endo -89.7  161.4  Favored 
1925 18 A PRO 72 Cg_endo -72.0  160.4  Favored 
1926 18 A PRO 73 Cg_exo  -44.3  -44.2  Favored 
1927 18 A HIS 74 p-80    -62.3  -30.7  Favored 
1928 18 A LEU 75 mt      -86.0  -31.7  Favored 
1929 18 A LYS 76 mttt    -58.4  -46.3  Favored 
1930 18 A THR 77 m       -60.5  -41.9  Favored 
1931 18 A GLN 78 mt-30   -62.0  -40.2  Favored 
1932 18 A LEU 79 tm?     -62.7  -47.4  Favored 
1933 18 A GLU 80 mm-40   -63.4  -38.4  Favored 
1934 18 A ILE 81 mt      -66.0  -48.2  Favored 
1935 18 A ASN 82 m-80    -60.8  -41.9  Favored 
1936 18 A GLY 83 ?       -57.7  -56.3  Favored 
1937 18 A ARG 84 mtm180  -60.5  -38.4  Favored 
1938 18 A ASN 85 t-20    -65.3  -33.7  Favored 
1939 18 A ASN 86 t30     -66.0  -30.9  Favored 
1940 18 A LEU 87 pt?     -100.1 0.4    Favored 
1941 18 A ILE 88 tt      -64.1  -11.5  Favored 
1942 18 A GLN 89 pm0     -125.7 24.1   Favored 
1943 18 A GLN 90 pt20    -51.3  -26.4  Favored 
1944 18 A LYS 91 pttm    -62.8  -30.1  Favored 
1945 18 A ASN 92 t30     ?      ?      ?       
1963 19 A MET 1  tpp     ?      ?      ?       
1964 19 A ALA 2  ?       -74.2  -7.0   Favored 
1965 19 A VAL 3  m       -65.5  166.4  Allowed 
1966 19 A SER 4  p       -145.5 175.2  Favored 
1967 19 A VAL 5  m       -63.4  134.2  Favored 
1968 19 A THR 6  m       -66.1  127.4  Favored 
1969 19 A PRO 7  Cg_endo -76.1  -165.8 Allowed 
1970 19 A ILE 8  OUTLIER -79.7  160.1  Favored 
1971 19 A ARG 9  mtt180  0.1    89.9   OUTLIER 
1972 19 A ASP 10 t70     -63.4  99.8   Allowed 
1973 19 A THR 11 p       -66.9  -17.0  Favored 
1974 19 A LYS 12 tptt    -59.1  -26.3  Favored 
1975 19 A TRP 13 p-90    -87.2  -21.0  Favored 
1976 19 A LEU 14 mt      -87.3  -15.3  Favored 
1977 19 A THR 15 p       -79.8  144.4  Favored 
1978 19 A LEU 16 mt      -130.1 134.9  Favored 
1979 19 A GLU 17 tt0     -62.1  140.7  Favored 
1980 19 A VAL 18 t       -90.2  140.0  Favored 
1981 19 A CYS 19 t       -61.9  124.1  Favored 
1982 19 A ARG 20 OUTLIER -61.4  -35.9  Favored 
1983 19 A GLU 21 mp0     -74.7  -32.1  Favored 
1984 19 A PHE 22 t80     -65.6  -42.2  Favored 
1985 19 A GLN 23 mt-30   -62.5  -16.2  Favored 
1986 19 A ARG 24 mpt_?   -112.0 0.1    Favored 
1987 19 A GLY 25 ?       71.2   28.0   Favored 
1988 19 A THR 26 p       -115.4 -15.0  Favored 
1989 19 A CYS 27 t       -69.0  144.0  Favored 
1990 19 A SER 28 t       -140.1 60.0   Allowed 
1991 19 A ARG 29 mtm180  -149.2 150.1  Favored 
1992 19 A PRO 30 Cg_endo -73.0  156.7  Favored 
1993 19 A ASP 31 t70     -52.0  -33.1  Favored 
1994 19 A THR 32 m       -64.0  -24.7  Favored 
1995 19 A GLU 33 mt-10   -120.0 -18.7  Favored 
1996 19 A CYS 34 t       -70.1  163.6  Favored 
1997 19 A LYS 35 pttt    -73.5  -19.4  Favored 
1998 19 A PHE 36 m-85    -141.9 -179.7 Favored 
1999 19 A ALA 37 ?       -89.9  148.9  Favored 
2000 19 A HIS 38 m170    -120.0 78.6   Favored 
2001 19 A PRO 39 Cg_endo -69.0  165.1  Favored 
2002 19 A SER 40 p       -105.5 175.6  Favored 
2003 19 A LYS 41 mmtt    -63.8  -21.6  Favored 
2004 19 A SER 42 m       -91.6  -17.1  Favored 
2005 19 A CYS 43 m       -65.6  147.3  Favored 
2006 19 A GLN 44 mm-40   -81.4  64.4   Favored 
2007 19 A VAL 45 t       -73.8  135.4  Favored 
2008 19 A GLU 46 tp10    -155.0 135.5  Favored 
2009 19 A ASN 47 t30     42.8   39.5   Allowed 
2010 19 A GLY 48 ?       81.6   13.2   Favored 
2011 19 A ARG 49 mpt_?   -131.1 169.2  Favored 
2012 19 A VAL 50 t       -129.2 138.0  Favored 
2013 19 A ILE 51 mt      -72.9  127.5  Favored 
2014 19 A ALA 52 ?       -87.6  152.1  Favored 
2015 19 A CYS 53 t       -71.3  106.1  Favored 
2016 19 A PHE 54 t80     -52.5  -42.5  Favored 
2017 19 A ASP 55 m-20    -64.1  -32.9  Favored 
2018 19 A SER 56 t       -69.4  -41.6  Favored 
2019 19 A LEU 57 mm?     -59.7  -33.1  Favored 
2020 19 A LYS 58 mptp?   -81.1  -2.5   Favored 
2021 19 A GLY 59 ?       89.4   7.1    Favored 
2022 19 A ARG 60 tpt85   -154.6 92.2   Allowed 
2023 19 A CYS 61 t       -56.8  131.3  Favored 
2024 19 A SER 62 t       -154.3 19.9   Allowed 
2025 19 A ARG 63 tpt180  -89.8  134.7  Favored 
2026 19 A GLU 64 mt-10   -72.1  -11.0  Favored 
2027 19 A ASN 65 OUTLIER -134.1 52.6   Favored 
2028 19 A CYS 66 t       -79.7  112.0  Favored 
2029 19 A LYS 67 pttt    -134.1 17.8   Favored 
2030 19 A TYR 68 m-85    -109.4 170.0  Favored 
2031 19 A LEU 69 tp      -84.5  135.1  Favored 
2032 19 A HIS 70 m170    -97.7  104.8  Favored 
2033 19 A PRO 71 Cg_endo -81.7  150.0  Favored 
2034 19 A PRO 72 Cg_endo -70.4  162.8  Favored 
2035 19 A PRO 73 Cg_exo  -43.0  -42.6  Favored 
2036 19 A HIS 74 p-80    -66.1  -48.9  Favored 
2037 19 A LEU 75 mt      -70.8  -33.8  Favored 
2038 19 A LYS 76 ttmt    -59.9  -47.0  Favored 
2039 19 A THR 77 m       -63.7  -43.0  Favored 
2040 19 A GLN 78 tp60    -62.6  -38.8  Favored 
2041 19 A LEU 79 tm?     -63.0  -46.0  Favored 
2042 19 A GLU 80 mm-40   -61.6  -37.9  Favored 
2043 19 A ILE 81 mt      -66.3  -45.5  Favored 
2044 19 A ASN 82 m-20    -59.7  -40.7  Favored 
2045 19 A GLY 83 ?       -60.4  -51.8  Favored 
2046 19 A ARG 84 OUTLIER -55.1  -47.2  Favored 
2047 19 A ASN 85 t30     -60.5  -48.5  Favored 
2048 19 A ASN 86 t30     -62.8  -35.1  Favored 
2049 19 A LEU 87 tp      -65.3  -34.4  Favored 
2050 19 A ILE 88 mt      -78.8  -39.5  Favored 
2051 19 A GLN 89 mm-40   -83.3  33.3   Allowed 
2052 19 A GLN 90 OUTLIER -53.1  -21.8  Favored 
2053 19 A LYS 91 tttt    -69.9  -13.4  Favored 
2054 19 A ASN 92 p30     ?      ?      ?       
2072 20 A MET 1  mtt     ?      ?      ?       
2073 20 A ALA 2  ?       -150.2 167.4  Favored 
2074 20 A VAL 3  m       -64.8  157.3  Favored 
2075 20 A SER 4  t       -153.1 176.0  Favored 
2076 20 A VAL 5  m       -64.5  160.1  Favored 
2077 20 A THR 6  m       -62.4  134.9  Favored 
2078 20 A PRO 7  Cg_endo -61.5  -55.1  Allowed 
2079 20 A ILE 8  tt      -120.2 155.3  Favored 
2080 20 A ARG 9  mtt180  -151.1 163.5  Favored 
2081 20 A ASP 10 t0      -157.2 99.8   Allowed 
2082 20 A THR 11 p       -57.1  -18.8  Favored 
2083 20 A LYS 12 tppt?   -65.1  -26.3  Favored 
2084 20 A TRP 13 p-90    -80.3  -12.7  Favored 
2085 20 A LEU 14 mt      -105.7 -15.8  Favored 
2086 20 A THR 15 p       -79.9  151.6  Favored 
2087 20 A LEU 16 mt      -133.1 138.9  Favored 
2088 20 A GLU 17 mt-10   -75.5  146.5  Favored 
2089 20 A VAL 18 t       -90.4  140.0  Favored 
2090 20 A CYS 19 t       -59.2  134.5  Favored 
2091 20 A ARG 20 mmm180  -68.5  -42.1  Favored 
2092 20 A GLU 21 mm-40   -68.8  -28.1  Favored 
2093 20 A PHE 22 t80     -68.7  -44.6  Favored 
2094 20 A GLN 23 mt-30   -64.6  -35.3  Favored 
2095 20 A ARG 24 ttt180  -73.0  -20.4  Favored 
2096 20 A GLY 25 ?       80.0   33.0   Favored 
2097 20 A THR 26 p       -128.2 -11.6  Favored 
2098 20 A CYS 27 t       -61.9  148.7  Favored 
2099 20 A SER 28 p       -140.0 59.8   Allowed 
2100 20 A ARG 29 mtt180  -152.9 150.1  Favored 
2101 20 A PRO 30 Cg_endo -73.1  158.8  Favored 
2102 20 A ASP 31 t70     -50.8  -33.5  Favored 
2103 20 A THR 32 m       -64.4  -25.8  Favored 
2104 20 A GLU 33 mt-10   -120.0 -14.8  Favored 
2105 20 A CYS 34 t       -75.9  157.7  Favored 
2106 20 A LYS 35 ptpt    -73.6  -9.5   Favored 
2107 20 A PHE 36 m-85    -141.4 -179.9 Favored 
2108 20 A ALA 37 ?       -89.8  147.8  Favored 
2109 20 A HIS 38 m170    -120.2 71.6   Favored 
2110 20 A PRO 39 Cg_endo -70.7  165.1  Favored 
2111 20 A SER 40 t       -105.5 177.4  Favored 
2112 20 A LYS 41 mtpt    -60.1  -27.3  Favored 
2113 20 A SER 42 m       -80.2  -16.5  Favored 
2114 20 A CYS 43 m       -78.9  150.4  Favored 
2115 20 A GLN 44 mm-40   -79.7  62.7   Favored 
2116 20 A VAL 45 t       -72.7  129.3  Favored 
2117 20 A GLU 46 mt-10   -144.4 129.7  Favored 
2118 20 A ASN 47 t30     42.4   40.5   Allowed 
2119 20 A GLY 48 ?       79.4   16.3   Favored 
2120 20 A ARG 49 mpt_?   -133.3 166.1  Favored 
2121 20 A VAL 50 t       -140.6 138.5  Favored 
2122 20 A ILE 51 mt      -75.8  126.7  Favored 
2123 20 A ALA 52 ?       -79.8  151.3  Favored 
2124 20 A CYS 53 t       -75.8  112.3  Favored 
2125 20 A PHE 54 t80     -57.7  -44.4  Favored 
2126 20 A ASP 55 m-20    -62.7  -39.7  Favored 
2127 20 A SER 56 t       -69.1  -38.5  Favored 
2128 20 A LEU 57 mt      -60.8  -33.0  Favored 
2129 20 A LYS 58 OUTLIER -75.4  -6.9   Favored 
2130 20 A GLY 59 ?       90.1   8.8    Favored 
2131 20 A ARG 60 tpp180  -155.9 92.9   Allowed 
2132 20 A CYS 61 t       -55.1  142.4  Favored 
2133 20 A SER 62 m       -112.2 20.0   Favored 
2134 20 A ARG 63 mtm-85  -130.1 167.0  Favored 
2135 20 A GLU 64 pt-20   -129.2 6.8    Favored 
2136 20 A ASN 65 t30     -143.2 42.6   Allowed 
2137 20 A CYS 66 t       -79.8  142.7  Favored 
2138 20 A LYS 67 OUTLIER -134.0 6.3    Favored 
2139 20 A TYR 68 m-85    -97.3  167.0  Favored 
2140 20 A LEU 69 tp      -84.6  135.1  Favored 
2141 20 A HIS 70 m170    -102.2 104.7  Favored 
2142 20 A PRO 71 Cg_endo -87.1  151.2  Favored 
2143 20 A PRO 72 Cg_endo -71.6  164.2  Favored 
2144 20 A PRO 73 Cg_exo  -43.2  -41.6  Favored 
2145 20 A HIS 74 p-80    -68.1  -54.2  Favored 
2146 20 A LEU 75 mt      -61.9  -34.0  Favored 
2147 20 A LYS 76 ttmt    -61.0  -42.3  Favored 
2148 20 A THR 77 m       -64.4  -42.9  Favored 
2149 20 A GLN 78 mp0     -60.9  -39.1  Favored 
2150 20 A LEU 79 tm?     -63.9  -46.0  Favored 
2151 20 A GLU 80 mt-10   -58.4  -44.2  Favored 
2152 20 A ILE 81 mt      -61.3  -44.0  Favored 
2153 20 A ASN 82 t30     -60.5  -38.7  Favored 
2154 20 A GLY 83 ?       -67.7  -52.9  Favored 
2155 20 A ARG 84 mmp_?   -64.8  -25.5  Favored 
2156 20 A ASN 85 m-80    -54.7  -33.3  Favored 
2157 20 A ASN 86 m-20    -80.8  -33.3  Favored 
2158 20 A LEU 87 mm?     -64.5  -37.9  Favored 
2159 20 A ILE 88 mt      -64.3  -39.3  Favored 
2160 20 A GLN 89 tt0     -160.4 116.1  Favored 
2161 20 A GLN 90 tt0     -59.6  -33.7  Favored 
2162 20 A LYS 91 tptt    -69.9  -18.2  Favored 
2163 20 A ASN 92 t-20    ?      ?      ?       
# 
loop_
_struct_mon_nucl.pdbx_id 
_struct_mon_nucl.PDB_model_num 
_struct_mon_nucl.auth_asym_id 
_struct_mon_nucl.auth_comp_id 
_struct_mon_nucl.auth_seq_id 
_struct_mon_nucl.pdbx_RNA_suiteness_score 
_struct_mon_nucl.pdbx_RNA_pucker_outlier_flag 
_struct_mon_nucl.pdbx_RNA_suite 
95   1  B G 95  0.00 ? ?                 
96   1  B U 96  0.00 Y Triaged/NotBinned 
97   1  B C 97  0.00 ? Triaged/NotBinned 
98   1  B U 98  0.23 ? Rotameric         
99   1  B C 99  0.16 ? Rotameric         
100  1  B G 100 0.39 ? Rotameric         
101  1  B C 101 0.01 ? Rotameric         
102  1  B U 102 0.04 ? Rotameric         
103  1  B U 103 0.00 ? NonRotameric      
104  1  B U 104 0.30 ? Rotameric         
105  1  B U 105 0.00 ? NonRotameric      
106  1  B C 106 0.40 ? Rotameric         
107  1  B C 107 0.40 ? Rotameric         
108  1  B C 108 0.48 ? Rotameric         
109  1  B C 109 0.41 ? Rotameric         
204  2  B G 95  0.00 ? ?                 
205  2  B U 96  0.51 ? Rotameric         
206  2  B C 97  0.03 ? Rotameric         
207  2  B U 98  0.46 ? Rotameric         
208  2  B C 99  0.50 ? Rotameric         
209  2  B G 100 0.01 ? Rotameric         
210  2  B C 101 0.18 ? Rotameric         
211  2  B U 102 0.01 ? Rotameric         
212  2  B U 103 0.00 ? NonRotameric      
213  2  B U 104 0.44 ? Rotameric         
214  2  B U 105 0.00 ? NonRotameric      
215  2  B C 106 0.01 ? Rotameric         
216  2  B C 107 0.00 ? NonRotameric      
217  2  B C 108 0.00 ? NonRotameric      
218  2  B C 109 0.01 ? Rotameric         
313  3  B G 95  0.00 Y ?                 
314  3  B U 96  0.00 ? NonRotameric      
315  3  B C 97  0.42 ? Rotameric         
316  3  B U 98  0.16 ? Rotameric         
317  3  B C 99  0.66 ? Rotameric         
318  3  B G 100 0.02 Y Rotameric         
319  3  B C 101 0.05 ? Rotameric         
320  3  B U 102 0.03 ? Rotameric         
321  3  B U 103 0.00 ? NonRotameric      
322  3  B U 104 0.46 ? Rotameric         
323  3  B U 105 0.11 ? Rotameric         
324  3  B C 106 0.00 Y NonRotameric      
325  3  B C 107 0.00 ? NonRotameric      
326  3  B C 108 0.08 ? Rotameric         
327  3  B C 109 0.00 ? NonRotameric      
422  4  B G 95  0.00 Y ?                 
423  4  B U 96  0.00 ? Triaged/NotBinned 
424  4  B C 97  0.50 ? Rotameric         
425  4  B U 98  0.09 ? Rotameric         
426  4  B C 99  0.00 ? NonRotameric      
427  4  B G 100 0.00 Y NonRotameric      
428  4  B C 101 0.00 ? Triaged/NotBinned 
429  4  B U 102 0.02 ? Rotameric         
430  4  B U 103 0.00 ? NonRotameric      
431  4  B U 104 0.40 ? Rotameric         
432  4  B U 105 0.01 Y Rotameric         
433  4  B C 106 0.16 ? Rotameric         
434  4  B C 107 0.55 ? Rotameric         
435  4  B C 108 0.00 ? NonRotameric      
436  4  B C 109 0.37 ? Rotameric         
531  5  B G 95  0.00 ? ?                 
532  5  B U 96  0.00 ? NonRotameric      
533  5  B C 97  0.66 ? Rotameric         
534  5  B U 98  0.64 ? Rotameric         
535  5  B C 99  0.78 ? Rotameric         
536  5  B G 100 0.00 ? NonRotameric      
537  5  B C 101 0.50 ? Rotameric         
538  5  B U 102 0.03 ? Rotameric         
539  5  B U 103 0.00 ? NonRotameric      
540  5  B U 104 0.28 ? Rotameric         
541  5  B U 105 0.00 ? NonRotameric      
542  5  B C 106 0.00 ? NonRotameric      
543  5  B C 107 0.01 ? Rotameric         
544  5  B C 108 0.36 ? Rotameric         
545  5  B C 109 0.00 ? NonRotameric      
640  6  B G 95  0.00 ? ?                 
641  6  B U 96  0.51 ? Rotameric         
642  6  B C 97  0.00 Y NonRotameric      
643  6  B U 98  0.21 ? Rotameric         
644  6  B C 99  0.00 ? NonRotameric      
645  6  B G 100 0.01 ? Rotameric         
646  6  B C 101 0.01 ? Rotameric         
647  6  B U 102 0.04 ? Rotameric         
648  6  B U 103 0.00 ? NonRotameric      
649  6  B U 104 0.00 Y Triaged/NotBinned 
650  6  B U 105 0.00 ? Triaged/NotBinned 
651  6  B C 106 0.71 ? Rotameric         
652  6  B C 107 0.46 ? Rotameric         
653  6  B C 108 0.09 ? Rotameric         
654  6  B C 109 0.26 ? Rotameric         
749  7  B G 95  0.00 ? ?                 
750  7  B U 96  0.01 ? Rotameric         
751  7  B C 97  0.00 Y NonRotameric      
752  7  B U 98  0.01 ? Rotameric         
753  7  B C 99  0.00 ? NonRotameric      
754  7  B G 100 0.00 ? NonRotameric      
755  7  B C 101 0.18 ? Rotameric         
756  7  B U 102 0.01 ? Rotameric         
757  7  B U 103 0.00 ? NonRotameric      
758  7  B U 104 0.00 ? Triaged/NotBinned 
759  7  B U 105 0.01 ? Rotameric         
760  7  B C 106 0.31 ? Rotameric         
761  7  B C 107 0.39 ? Rotameric         
762  7  B C 108 0.00 ? NonRotameric      
763  7  B C 109 0.05 ? Rotameric         
858  8  B G 95  0.00 ? ?                 
859  8  B U 96  0.59 ? Rotameric         
860  8  B C 97  0.00 ? NonRotameric      
861  8  B U 98  0.04 ? Rotameric         
862  8  B C 99  0.00 Y NonRotameric      
863  8  B G 100 0.00 ? NonRotameric      
864  8  B C 101 0.21 ? Rotameric         
865  8  B U 102 0.11 ? Rotameric         
866  8  B U 103 0.00 ? NonRotameric      
867  8  B U 104 0.89 ? Rotameric         
868  8  B U 105 0.00 ? NonRotameric      
869  8  B C 106 0.65 ? Rotameric         
870  8  B C 107 0.26 ? Rotameric         
871  8  B C 108 0.87 ? Rotameric         
872  8  B C 109 0.06 ? Rotameric         
967  9  B G 95  0.00 Y ?                 
968  9  B U 96  0.04 ? Rotameric         
969  9  B C 97  0.15 ? Rotameric         
970  9  B U 98  0.04 ? Rotameric         
971  9  B C 99  0.01 ? Rotameric         
972  9  B G 100 0.00 Y NonRotameric      
973  9  B C 101 0.00 ? NonRotameric      
974  9  B U 102 0.06 ? Rotameric         
975  9  B U 103 0.00 ? NonRotameric      
976  9  B U 104 0.44 ? Rotameric         
977  9  B U 105 0.00 Y Triaged/NotBinned 
978  9  B C 106 0.00 ? NonRotameric      
979  9  B C 107 0.03 Y Rotameric         
980  9  B C 108 0.10 ? Rotameric         
981  9  B C 109 0.00 ? NonRotameric      
1076 10 B G 95  0.00 ? ?                 
1077 10 B U 96  0.46 ? Rotameric         
1078 10 B C 97  0.00 ? NonRotameric      
1079 10 B U 98  0.67 ? Rotameric         
1080 10 B C 99  0.00 Y NonRotameric      
1081 10 B G 100 0.00 ? NonRotameric      
1082 10 B C 101 0.27 ? Rotameric         
1083 10 B U 102 0.19 ? Rotameric         
1084 10 B U 103 0.00 ? NonRotameric      
1085 10 B U 104 0.52 ? Rotameric         
1086 10 B U 105 0.00 ? NonRotameric      
1087 10 B C 106 0.00 ? NonRotameric      
1088 10 B C 107 0.09 ? Rotameric         
1089 10 B C 108 0.39 ? Rotameric         
1090 10 B C 109 0.50 ? Rotameric         
1185 11 B G 95  0.00 ? ?                 
1186 11 B U 96  0.00 Y NonRotameric      
1187 11 B C 97  0.00 ? NonRotameric      
1188 11 B U 98  0.15 ? Rotameric         
1189 11 B C 99  0.00 ? NonRotameric      
1190 11 B G 100 0.01 ? Rotameric         
1191 11 B C 101 0.00 ? NonRotameric      
1192 11 B U 102 0.07 ? Rotameric         
1193 11 B U 103 0.00 ? NonRotameric      
1194 11 B U 104 0.21 ? Rotameric         
1195 11 B U 105 0.15 ? Rotameric         
1196 11 B C 106 0.19 ? Rotameric         
1197 11 B C 107 0.42 ? Rotameric         
1198 11 B C 108 0.00 ? NonRotameric      
1199 11 B C 109 0.23 ? Rotameric         
1294 12 B G 95  0.00 Y ?                 
1295 12 B U 96  0.00 ? Triaged/NotBinned 
1296 12 B C 97  0.02 ? Rotameric         
1297 12 B U 98  0.00 ? NonRotameric      
1298 12 B C 99  0.00 ? NonRotameric      
1299 12 B G 100 0.00 Y NonRotameric      
1300 12 B C 101 0.00 ? NonRotameric      
1301 12 B U 102 0.06 ? Rotameric         
1302 12 B U 103 0.00 ? NonRotameric      
1303 12 B U 104 0.29 ? Rotameric         
1304 12 B U 105 0.00 ? NonRotameric      
1305 12 B C 106 0.00 ? NonRotameric      
1306 12 B C 107 0.24 ? Rotameric         
1307 12 B C 108 0.00 ? NonRotameric      
1308 12 B C 109 0.10 ? Rotameric         
1403 13 B G 95  0.00 ? ?                 
1404 13 B U 96  0.09 ? Rotameric         
1405 13 B C 97  0.01 ? Rotameric         
1406 13 B U 98  0.00 ? NonRotameric      
1407 13 B C 99  0.00 Y NonRotameric      
1408 13 B G 100 0.00 Y NonRotameric      
1409 13 B C 101 0.00 ? Triaged/NotBinned 
1410 13 B U 102 0.01 ? Rotameric         
1411 13 B U 103 0.00 ? NonRotameric      
1412 13 B U 104 0.44 ? Rotameric         
1413 13 B U 105 0.18 ? Rotameric         
1414 13 B C 106 0.05 ? Rotameric         
1415 13 B C 107 0.01 ? Rotameric         
1416 13 B C 108 0.41 ? Rotameric         
1417 13 B C 109 0.05 ? Rotameric         
1512 14 B G 95  0.00 ? ?                 
1513 14 B U 96  0.00 ? NonRotameric      
1514 14 B C 97  0.12 ? Rotameric         
1515 14 B U 98  0.00 ? NonRotameric      
1516 14 B C 99  0.01 ? Rotameric         
1517 14 B G 100 0.00 ? NonRotameric      
1518 14 B C 101 0.00 ? NonRotameric      
1519 14 B U 102 0.26 ? Rotameric         
1520 14 B U 103 0.42 ? Rotameric         
1521 14 B U 104 0.33 ? Rotameric         
1522 14 B U 105 0.32 ? Rotameric         
1523 14 B C 106 0.24 ? Rotameric         
1524 14 B C 107 0.00 Y Triaged/NotBinned 
1525 14 B C 108 0.00 ? Triaged/NotBinned 
1526 14 B C 109 0.01 ? Rotameric         
1621 15 B G 95  0.00 ? ?                 
1622 15 B U 96  0.00 ? NonRotameric      
1623 15 B C 97  0.00 ? NonRotameric      
1624 15 B U 98  0.47 ? Rotameric         
1625 15 B C 99  0.00 Y NonRotameric      
1626 15 B G 100 0.00 ? NonRotameric      
1627 15 B C 101 0.00 ? NonRotameric      
1628 15 B U 102 0.19 ? Rotameric         
1629 15 B U 103 0.23 ? Rotameric         
1630 15 B U 104 0.24 ? Rotameric         
1631 15 B U 105 0.46 ? Rotameric         
1632 15 B C 106 0.00 ? NonRotameric      
1633 15 B C 107 0.38 ? Rotameric         
1634 15 B C 108 0.00 ? NonRotameric      
1635 15 B C 109 0.00 ? NonRotameric      
1730 16 B G 95  0.00 ? ?                 
1731 16 B U 96  0.00 ? NonRotameric      
1732 16 B C 97  0.05 Y Rotameric         
1733 16 B U 98  0.00 ? NonRotameric      
1734 16 B C 99  0.00 ? NonRotameric      
1735 16 B G 100 0.00 ? NonRotameric      
1736 16 B C 101 0.01 ? Rotameric         
1737 16 B U 102 0.01 ? Rotameric         
1738 16 B U 103 0.00 ? NonRotameric      
1739 16 B U 104 0.11 Y Rotameric         
1740 16 B U 105 0.00 ? NonRotameric      
1741 16 B C 106 0.01 ? Rotameric         
1742 16 B C 107 0.00 ? NonRotameric      
1743 16 B C 108 0.34 ? Rotameric         
1744 16 B C 109 0.52 ? Rotameric         
1839 17 B G 95  0.00 ? ?                 
1840 17 B U 96  0.74 ? Rotameric         
1841 17 B C 97  0.61 ? Rotameric         
1842 17 B U 98  0.87 ? Rotameric         
1843 17 B C 99  0.20 ? Rotameric         
1844 17 B G 100 0.00 Y Triaged/NotBinned 
1845 17 B C 101 0.01 ? Rotameric         
1846 17 B U 102 0.01 ? Rotameric         
1847 17 B U 103 0.00 ? NonRotameric      
1848 17 B U 104 0.42 ? Rotameric         
1849 17 B U 105 0.07 ? Rotameric         
1850 17 B C 106 0.00 Y Triaged/NotBinned 
1851 17 B C 107 0.00 ? Triaged/NotBinned 
1852 17 B C 108 0.02 ? Rotameric         
1853 17 B C 109 0.37 ? Rotameric         
1948 18 B G 95  0.00 ? ?                 
1949 18 B U 96  0.00 ? NonRotameric      
1950 18 B C 97  0.50 ? Rotameric         
1951 18 B U 98  0.79 ? Rotameric         
1952 18 B C 99  0.53 ? Rotameric         
1953 18 B G 100 0.00 ? NonRotameric      
1954 18 B C 101 0.06 ? Rotameric         
1955 18 B U 102 0.02 ? Rotameric         
1956 18 B U 103 0.00 ? NonRotameric      
1957 18 B U 104 0.41 ? Rotameric         
1958 18 B U 105 0.00 ? NonRotameric      
1959 18 B C 106 0.02 ? Rotameric         
1960 18 B C 107 0.15 ? Rotameric         
1961 18 B C 108 0.64 ? Rotameric         
1962 18 B C 109 0.00 ? NonRotameric      
2057 19 B G 95  0.00 Y ?                 
2058 19 B U 96  0.00 ? Triaged/NotBinned 
2059 19 B C 97  0.10 ? Rotameric         
2060 19 B U 98  0.23 ? Rotameric         
2061 19 B C 99  0.00 Y Triaged/NotBinned 
2062 19 B G 100 0.00 Y Triaged/NotBinned 
2063 19 B C 101 0.16 ? Rotameric         
2064 19 B U 102 0.03 ? Rotameric         
2065 19 B U 103 0.00 ? NonRotameric      
2066 19 B U 104 0.38 ? Rotameric         
2067 19 B U 105 0.00 ? NonRotameric      
2068 19 B C 106 0.50 ? Rotameric         
2069 19 B C 107 0.00 Y NonRotameric      
2070 19 B C 108 0.00 ? NonRotameric      
2071 19 B C 109 0.67 ? Rotameric         
2166 20 B G 95  0.00 ? ?                 
2167 20 B U 96  0.00 ? NonRotameric      
2168 20 B C 97  0.26 ? Rotameric         
2169 20 B U 98  0.49 ? Rotameric         
2170 20 B C 99  0.07 Y Rotameric         
2171 20 B G 100 0.00 Y NonRotameric      
2172 20 B C 101 0.00 ? NonRotameric      
2173 20 B U 102 0.03 ? Rotameric         
2174 20 B U 103 0.00 ? NonRotameric      
2175 20 B U 104 0.09 ? Rotameric         
2176 20 B U 105 0.28 ? Rotameric         
2177 20 B C 106 0.48 ? Rotameric         
2178 20 B C 107 0.00 Y Triaged/NotBinned 
2179 20 B C 108 0.00 ? Triaged/NotBinned 
2180 20 B C 109 0.34 ? Rotameric         
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.Zscore 
_pdbx_validate_rmsd_angle.linker_flag 
275 1  A A A ARG ARG ARG 20  20  20  NE    CZ    NH1   2.892  0.500 120.300 
123.192 5.78  N 
276 1  A A A ARG ARG ARG 24  24  24  NE    CZ    NH1   3.001  0.500 120.300 
123.301 6.00  N 
277 1  A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   3.138  0.500 120.300 
123.438 6.28  N 
278 1  A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   2.867  0.500 120.300 
123.167 5.74  N 
279 1  A A A ARG ARG ARG 60  60  60  NE    CZ    NH1   2.750  0.500 120.300 
123.050 5.50  N 
280 1  A A A ARG ARG ARG 63  63  63  NE    CZ    NH1   3.401  0.500 120.300 
123.701 6.80  N 
281 1  A A A ARG ARG ARG 84  84  84  NE    CZ    NH1   2.751  0.500 120.300 
123.051 5.50  N 
282 1  B B B U   U   U   96  96  96  N3    C2    O2    -3.584 0.700 122.200 
118.616 -5.12 N 
283 1  B B B C   C   C   97  97  97  N3    C2    O2    -5.569 0.700 121.900 
116.331 -7.96 N 
284 1  B B B C   C   C   97  97  97  N1    C2    O2    4.750  0.600 118.900 
123.650 7.92  N 
285 1  B B B C   C   C   97  97  97  "O4'" "C1'" N1    7.868  0.800 108.200 
116.068 9.84  N 
286 1  B B B U   U   U   98  98  98  "O4'" "C1'" N1    7.882  0.800 108.200 
116.082 9.85  N 
287 1  B B B U   U   U   98  98  98  N3    C2    O2    -4.474 0.700 122.200 
117.726 -6.39 N 
288 1  B B B U   U   U   98  98  98  "C3'" "C2'" "C1'" 4.579  0.800 101.500 
106.079 5.72  N 
289 1  B B B C   C   C   99  99  99  N3    C2    O2    -5.464 0.700 121.900 
116.436 -7.80 N 
290 1  B B B C   C   C   99  99  99  "O4'" "C1'" N1    7.543  0.800 108.200 
115.743 9.43  N 
291 1  B B B C   C   C   99  99  99  N1    C2    O2    4.560  0.600 118.900 
123.460 7.60  N 
292 1  B B B G   G   G   100 100 100 N3    C4    C5    -2.726 0.500 128.600 
125.874 -5.45 N 
293 1  B B B G   G   G   100 100 100 "O4'" "C1'" N9    6.988  0.800 108.200 
115.188 8.73  N 
294 1  B B B C   C   C   101 101 101 N3    C2    O2    -3.800 0.700 121.900 
118.100 -5.43 N 
295 1  B B B C   C   C   106 106 106 N3    C2    O2    -4.329 0.700 121.900 
117.571 -6.18 N 
296 1  B B B C   C   C   107 107 107 N3    C2    O2    -5.403 0.700 121.900 
116.497 -7.72 N 
297 1  B B B C   C   C   107 107 107 N1    C2    O2    4.306  0.600 118.900 
123.206 7.18  N 
298 1  B B B C   C   C   107 107 107 "O4'" "C1'" N1    7.358  0.800 108.200 
115.558 9.20  N 
299 1  B B B C   C   C   108 108 108 N3    C2    O2    -4.321 0.700 121.900 
117.579 -6.17 N 
300 1  B B B C   C   C   108 108 108 "O4'" "C1'" N1    5.053  0.800 108.200 
113.253 6.32  N 
301 1  B B B C   C   C   109 109 109 "O4'" "C1'" N1    5.155  0.800 108.200 
113.355 6.44  N 
302 1  B B B C   C   C   109 109 109 N1    C2    O2    4.015  0.600 118.900 
122.915 6.69  N 
303 1  B B B C   C   C   109 109 109 N3    C2    O2    -5.226 0.700 121.900 
116.674 -7.47 N 
304 2  A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   2.773  0.500 120.300 
123.073 5.55  N 
305 2  A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   3.020  0.500 120.300 
123.320 6.04  N 
306 2  A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   2.861  0.500 120.300 
123.161 5.72  N 
307 2  A A A ARG ARG ARG 49  49  49  NE    CZ    NH1   3.408  0.500 120.300 
123.708 6.82  N 
308 2  A A A ARG ARG ARG 60  60  60  NE    CZ    NH1   3.598  0.500 120.300 
123.898 7.20  N 
309 2  A A A ARG ARG ARG 63  63  63  NE    CZ    NH1   3.554  0.500 120.300 
123.854 7.11  N 
310 2  A A A ARG ARG ARG 84  84  84  NE    CZ    NH1   2.658  0.500 120.300 
122.958 5.32  N 
311 2  B B B G   G   G   95  95  95  "O4'" "C1'" N9    5.867  0.800 108.200 
114.067 7.33  N 
312 2  B B B C   C   C   97  97  97  N3    C2    O2    -4.179 0.700 121.900 
117.721 -5.97 N 
313 2  B B B C   C   C   99  99  99  N3    C2    O2    -5.287 0.700 121.900 
116.613 -7.55 N 
314 2  B B B C   C   C   99  99  99  "O4'" "C1'" N1    6.988  0.800 108.200 
115.188 8.73  N 
315 2  B B B C   C   C   99  99  99  N1    C2    O2    4.516  0.600 118.900 
123.416 7.53  N 
316 2  B B B G   G   G   100 100 100 "O4'" "C1'" N9    4.218  0.800 108.200 
112.418 5.27  N 
317 2  B B B C   C   C   101 101 101 N3    C2    O2    -3.705 0.700 121.900 
118.195 -5.29 N 
318 2  B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.298  0.800 108.200 
112.498 5.37  N 
319 2  B B B U   U   U   102 102 102 "C3'" "C2'" "C1'" 4.409  0.800 101.500 
105.909 5.51  N 
320 2  B B B U   U   U   104 104 104 "O4'" "C1'" N1    4.228  0.800 108.200 
112.428 5.29  N 
321 2  B B B U   U   U   105 105 105 "O4'" "C1'" N1    8.924  0.800 108.200 
117.124 11.15 N 
322 2  B B B U   U   U   105 105 105 N3    C2    O2    -5.229 0.700 122.200 
116.971 -7.47 N 
323 2  B B B C   C   C   106 106 106 N3    C2    O2    -4.333 0.700 121.900 
117.567 -6.19 N 
324 2  B B B C   C   C   107 107 107 N3    C2    O2    -4.647 0.700 121.900 
117.253 -6.64 N 
325 2  B B B C   C   C   107 107 107 N1    C2    O2    3.159  0.600 118.900 
122.059 5.26  N 
326 2  B B B C   C   C   108 108 108 N3    C2    O2    -4.483 0.700 121.900 
117.417 -6.40 N 
327 2  B B B C   C   C   108 108 108 N1    C2    O2    3.035  0.600 118.900 
121.935 5.06  N 
328 2  B B B C   C   C   109 109 109 "O4'" "C1'" N1    4.092  0.800 108.200 
112.292 5.11  N 
329 2  B B B C   C   C   109 109 109 N1    C2    O2    3.125  0.600 118.900 
122.025 5.21  N 
330 2  B B B C   C   C   109 109 109 N3    C2    O2    -4.888 0.700 121.900 
117.012 -6.98 N 
331 3  A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   2.704  0.500 120.300 
123.004 5.41  N 
332 3  A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.672  0.500 120.300 
122.972 5.34  N 
333 3  A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   2.971  0.500 120.300 
123.271 5.94  N 
334 3  A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   3.267  0.500 120.300 
123.567 6.53  N 
335 3  A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   2.500  0.500 120.300 
122.800 5.00  N 
336 3  A A A ARG ARG ARG 84  84  84  NE    CZ    NH1   3.012  0.500 120.300 
123.312 6.02  N 
337 3  B B B C   C   C   97  97  97  N3    C2    O2    -5.057 0.700 121.900 
116.843 -7.22 N 
338 3  B B B C   C   C   97  97  97  N1    C2    O2    3.941  0.600 118.900 
122.841 6.57  N 
339 3  B B B C   C   C   97  97  97  "O4'" "C1'" N1    6.267  0.800 108.200 
114.467 7.83  N 
340 3  B B B C   C   C   99  99  99  N3    C2    O2    -4.161 0.700 121.900 
117.739 -5.95 N 
341 3  B B B G   G   G   100 100 100 N1    C6    O6    -3.268 0.600 119.900 
116.632 -5.45 N 
342 3  B B B G   G   G   100 100 100 "C1'" "O4'" "C4'" -5.212 0.800 109.900 
104.688 -6.51 N 
343 3  B B B G   G   G   100 100 100 "O4'" "C1'" N9    7.680  0.800 108.200 
115.880 9.60  N 
344 3  B B B C   C   C   101 101 101 N3    C2    O2    -3.920 0.700 121.900 
117.980 -5.60 N 
345 3  B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.270  0.800 108.200 
112.470 5.34  N 
346 3  B B B U   U   U   104 104 104 "O4'" "C1'" N1    4.447  0.800 108.200 
112.647 5.56  N 
347 3  B B B U   U   U   105 105 105 N3    C2    O2    -4.146 0.700 122.200 
118.054 -5.92 N 
348 3  B B B C   C   C   106 106 106 "O4'" "C1'" N1    4.096  0.800 108.200 
112.296 5.12  N 
349 3  B B B C   C   C   106 106 106 N3    C2    O2    -4.516 0.700 121.900 
117.384 -6.45 N 
350 3  B B B C   C   C   107 107 107 N3    C2    O2    -4.402 0.700 121.900 
117.498 -6.29 N 
351 3  B B B C   C   C   107 107 107 N1    C2    O2    3.214  0.600 118.900 
122.114 5.36  N 
352 3  B B B C   C   C   108 108 108 N3    C2    O2    -5.355 0.700 121.900 
116.545 -7.65 N 
353 3  B B B C   C   C   108 108 108 N1    C2    O2    4.276  0.600 118.900 
123.176 7.13  N 
354 3  B B B C   C   C   108 108 108 "O4'" "C1'" N1    5.894  0.800 108.200 
114.094 7.37  N 
355 3  B B B C   C   C   109 109 109 N1    C2    O2    3.147  0.600 118.900 
122.047 5.25  N 
356 3  B B B C   C   C   109 109 109 N3    C2    O2    -4.394 0.700 121.900 
117.506 -6.28 N 
357 4  A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   3.005  0.500 120.300 
123.305 6.01  N 
358 4  A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   2.762  0.500 120.300 
123.062 5.52  N 
359 4  A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   3.037  0.500 120.300 
123.337 6.07  N 
360 4  A A A ARG ARG ARG 84  84  84  NE    CZ    NH2   2.892  0.500 120.300 
123.192 5.78  N 
361 4  B B B G   G   G   95  95  95  "O4'" "C1'" N9    6.696  0.800 108.200 
114.896 8.37  N 
362 4  B B B U   U   U   96  96  96  "O4'" "C1'" N1    4.458  0.800 108.200 
112.658 5.57  N 
363 4  B B B U   U   U   96  96  96  N3    C2    O2    -4.112 0.700 122.200 
118.088 -5.88 N 
364 4  B B B C   C   C   97  97  97  N3    C2    O2    -5.534 0.700 121.900 
116.366 -7.91 N 
365 4  B B B C   C   C   97  97  97  N1    C2    O2    4.024  0.600 118.900 
122.924 6.71  N 
366 4  B B B U   U   U   98  98  98  "O4'" "C1'" N1    4.833  0.800 108.200 
113.033 6.04  N 
367 4  B B B C   C   C   99  99  99  N3    C2    O2    -3.998 0.700 121.900 
117.902 -5.71 N 
368 4  B B B G   G   G   100 100 100 P     "O3'" "C3'" 9.601  1.200 119.700 
129.301 8.00  Y 
369 4  B B B C   C   C   101 101 101 N3    C2    O2    -3.840 0.700 121.900 
118.060 -5.49 N 
370 4  B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.387  0.800 108.200 
112.587 5.48  N 
371 4  B B B U   U   U   105 105 105 "O4'" "C1'" N1    4.010  0.800 108.200 
112.210 5.01  N 
372 4  B B B U   U   U   105 105 105 N3    C2    O2    -4.033 0.700 122.200 
118.167 -5.76 N 
373 4  B B B C   C   C   106 106 106 N3    C2    O2    -4.140 0.700 121.900 
117.760 -5.92 N 
374 4  B B B C   C   C   107 107 107 N3    C2    O2    -6.021 0.700 121.900 
115.879 -8.60 N 
375 4  B B B C   C   C   107 107 107 N1    C2    O2    4.756  0.600 118.900 
123.656 7.93  N 
376 4  B B B C   C   C   107 107 107 "O4'" "C1'" N1    4.159  0.800 108.200 
112.359 5.20  N 
377 4  B B B C   C   C   108 108 108 N3    C2    O2    -4.336 0.700 121.900 
117.564 -6.19 N 
378 4  B B B C   C   C   108 108 108 N1    C2    O2    3.015  0.600 118.900 
121.915 5.03  N 
379 4  B B B C   C   C   109 109 109 N3    C2    O2    -4.186 0.700 121.900 
117.714 -5.98 N 
380 5  A A A ARG ARG ARG 9   9   9   NE    CZ    NH1   2.647  0.500 120.300 
122.947 5.29  N 
381 5  A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   2.713  0.500 120.300 
123.013 5.43  N 
382 5  A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.847  0.500 120.300 
123.147 5.69  N 
383 5  A A A ARG ARG ARG 49  49  49  NE    CZ    NH1   2.855  0.500 120.300 
123.155 5.71  N 
384 5  A A A ARG ARG ARG 60  60  60  NE    CZ    NH1   3.596  0.500 120.300 
123.896 7.19  N 
385 5  B B B U   U   U   96  96  96  "O4'" "C1'" N1    4.505  0.800 108.200 
112.705 5.63  N 
386 5  B B B C   C   C   97  97  97  N3    C2    O2    -4.171 0.700 121.900 
117.729 -5.96 N 
387 5  B B B C   C   C   99  99  99  N3    C2    O2    -4.918 0.700 121.900 
116.982 -7.03 N 
388 5  B B B C   C   C   99  99  99  N1    C2    O2    3.873  0.600 118.900 
122.773 6.46  N 
389 5  B B B G   G   G   100 100 100 N1    C6    O6    -3.008 0.600 119.900 
116.892 -5.01 N 
390 5  B B B G   G   G   100 100 100 "O4'" "C1'" N9    6.388  0.800 108.200 
114.588 7.99  N 
391 5  B B B C   C   C   101 101 101 N3    C2    O2    -3.627 0.700 121.900 
118.273 -5.18 N 
392 5  B B B C   C   C   106 106 106 "O4'" "C1'" N1    5.043  0.800 108.200 
113.243 6.30  N 
393 5  B B B C   C   C   106 106 106 N3    C2    O2    -4.329 0.700 121.900 
117.571 -6.18 N 
394 5  B B B C   C   C   106 106 106 N1    C2    O2    3.282  0.600 118.900 
122.182 5.47  N 
395 5  B B B C   C   C   106 106 106 "C1'" "O4'" "C4'" -5.063 0.800 109.900 
104.837 -6.33 N 
396 5  B B B C   C   C   107 107 107 N3    C2    O2    -4.861 0.700 121.900 
117.039 -6.94 N 
397 5  B B B C   C   C   107 107 107 N1    C2    O2    3.541  0.600 118.900 
122.441 5.90  N 
398 5  B B B C   C   C   107 107 107 "O4'" "C1'" N1    4.419  0.800 108.200 
112.619 5.52  N 
399 5  B B B C   C   C   108 108 108 N3    C2    O2    -4.303 0.700 121.900 
117.597 -6.15 N 
400 5  B B B C   C   C   109 109 109 N1    C2    O2    3.101  0.600 118.900 
122.001 5.17  N 
401 5  B B B C   C   C   109 109 109 N3    C2    O2    -4.369 0.700 121.900 
117.531 -6.24 N 
402 6  A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   2.645  0.500 120.300 
122.945 5.29  N 
403 6  A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   3.408  0.500 120.300 
123.708 6.82  N 
404 6  A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   2.793  0.500 120.300 
123.093 5.59  N 
405 6  A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   2.627  0.500 120.300 
122.927 5.25  N 
406 6  A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   3.020  0.500 120.300 
123.320 6.04  N 
407 6  A A A ARG ARG ARG 63  63  63  NE    CZ    NH1   2.612  0.500 120.300 
122.912 5.22  N 
408 6  A A A ARG ARG ARG 84  84  84  NE    CZ    NH2   3.111  0.500 120.300 
123.411 6.22  N 
409 6  B B B G   G   G   95  95  95  N1    C6    O6    -3.255 0.600 119.900 
116.645 -5.42 N 
410 6  B B B C   C   C   97  97  97  N3    C2    O2    -4.279 0.700 121.900 
117.621 -6.11 N 
411 6  B B B C   C   C   97  97  97  "O4'" "C1'" N1    5.043  0.800 108.200 
113.243 6.30  N 
412 6  B B B C   C   C   99  99  99  N3    C2    O2    -3.727 0.700 121.900 
118.173 -5.32 N 
413 6  B B B C   C   C   101 101 101 N3    C2    O2    -3.593 0.700 121.900 
118.307 -5.13 N 
414 6  B B B U   U   U   103 103 103 "O4'" "C1'" N1    6.790  0.800 108.200 
114.990 8.49  N 
415 6  B B B U   U   U   103 103 103 N3    C2    O2    -5.106 0.700 122.200 
117.094 -7.29 N 
416 6  B B B C   C   C   106 106 106 N3    C2    O2    -4.206 0.700 121.900 
117.694 -6.01 N 
417 6  B B B C   C   C   107 107 107 N3    C2    O2    -3.958 0.700 121.900 
117.942 -5.66 N 
418 6  B B B C   C   C   108 108 108 N3    C2    O2    -5.181 0.700 121.900 
116.719 -7.40 N 
419 6  B B B C   C   C   108 108 108 N1    C2    O2    3.930  0.600 118.900 
122.830 6.55  N 
420 6  B B B C   C   C   108 108 108 "O4'" "C1'" N1    4.563  0.800 108.200 
112.763 5.70  N 
421 6  B B B C   C   C   109 109 109 N1    C2    O2    3.183  0.600 118.900 
122.083 5.30  N 
422 6  B B B C   C   C   109 109 109 N3    C2    O2    -4.704 0.700 121.900 
117.196 -6.72 N 
423 7  A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   2.736  0.500 120.300 
123.036 5.47  N 
424 7  A A A ARG ARG ARG 24  24  24  NE    CZ    NH1   3.129  0.500 120.300 
123.429 6.26  N 
425 7  A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   3.058  0.500 120.300 
123.358 6.12  N 
426 7  A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   3.916  0.500 120.300 
124.216 7.83  N 
427 7  A A A ARG ARG ARG 63  63  63  NE    CZ    NH1   3.128  0.500 120.300 
123.428 6.26  N 
428 7  B B B G   G   G   95  95  95  N3    C4    C5    -3.135 0.500 128.600 
125.465 -6.27 N 
429 7  B B B G   G   G   95  95  95  "O4'" "C1'" N9    4.765  0.800 108.200 
112.965 5.96  N 
430 7  B B B C   C   C   97  97  97  N3    C2    O2    -5.167 0.700 121.900 
116.733 -7.38 N 
431 7  B B B C   C   C   97  97  97  N1    C2    O2    3.643  0.600 118.900 
122.543 6.07  N 
432 7  B B B U   U   U   98  98  98  "O4'" "C1'" N1    4.705  0.800 108.200 
112.905 5.88  N 
433 7  B B B C   C   C   99  99  99  N3    C2    O2    -4.614 0.700 121.900 
117.286 -6.59 N 
434 7  B B B C   C   C   99  99  99  "O4'" "C1'" N1    5.083  0.800 108.200 
113.283 6.35  N 
435 7  B B B C   C   C   99  99  99  N1    C2    O2    3.506  0.600 118.900 
122.406 5.84  N 
436 7  B B B G   G   G   100 100 100 N1    C6    O6    -3.362 0.600 119.900 
116.538 -5.60 N 
437 7  B B B G   G   G   100 100 100 "O4'" "C1'" N9    4.695  0.800 108.200 
112.895 5.87  N 
438 7  B B B C   C   C   101 101 101 N3    C2    O2    -3.764 0.700 121.900 
118.136 -5.38 N 
439 7  B B B U   U   U   102 102 102 "C3'" "C2'" "C1'" 4.556  0.800 101.500 
106.056 5.70  N 
440 7  B B B U   U   U   103 103 103 "O4'" "C1'" N1    6.144  0.800 108.200 
114.344 7.68  N 
441 7  B B B U   U   U   103 103 103 N3    C2    O2    -4.478 0.700 122.200 
117.722 -6.40 N 
442 7  B B B C   C   C   106 106 106 N3    C2    O2    -4.314 0.700 121.900 
117.586 -6.16 N 
443 7  B B B C   C   C   107 107 107 N3    C2    O2    -4.636 0.700 121.900 
117.264 -6.62 N 
444 7  B B B C   C   C   108 108 108 N3    C2    O2    -4.444 0.700 121.900 
117.456 -6.35 N 
445 7  B B B C   C   C   108 108 108 N1    C2    O2    3.384  0.600 118.900 
122.284 5.64  N 
446 7  B B B C   C   C   108 108 108 "C1'" "O4'" "C4'" -5.052 0.800 109.900 
104.848 -6.32 N 
447 7  B B B C   C   C   108 108 108 "O4'" "C1'" N1    7.557  0.800 108.200 
115.757 9.45  N 
448 7  B B B C   C   C   109 109 109 "O4'" "C1'" N1    4.956  0.800 108.200 
113.156 6.20  N 
449 7  B B B C   C   C   109 109 109 N1    C2    O2    3.917  0.600 118.900 
122.817 6.53  N 
450 7  B B B C   C   C   109 109 109 N3    C2    O2    -5.133 0.700 121.900 
116.767 -7.33 N 
451 8  A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   2.602  0.500 120.300 
122.902 5.20  N 
452 8  A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.553  0.500 120.300 
122.853 5.11  N 
453 8  A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.703  0.500 120.300 
123.003 5.41  N 
454 8  A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   2.546  0.500 120.300 
122.846 5.09  N 
455 8  A A A ARG ARG ARG 60  60  60  NE    CZ    NH2   2.786  0.500 120.300 
123.086 5.57  N 
456 8  A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   3.411  0.500 120.300 
123.711 6.82  N 
457 8  A A A ARG ARG ARG 84  84  84  NE    CZ    NH1   2.763  0.500 120.300 
123.063 5.53  N 
458 8  B B B G   G   G   95  95  95  N3    C4    C5    -3.028 0.500 128.600 
125.572 -6.06 N 
459 8  B B B U   U   U   96  96  96  N3    C2    O2    -3.661 0.700 122.200 
118.539 -5.23 N 
460 8  B B B C   C   C   97  97  97  N3    C2    O2    -4.215 0.700 121.900 
117.685 -6.02 N 
461 8  B B B C   C   C   97  97  97  N1    C2    O2    3.018  0.600 118.900 
121.918 5.03  N 
462 8  B B B U   U   U   98  98  98  N3    C2    O2    -3.597 0.700 122.200 
118.603 -5.14 N 
463 8  B B B C   C   C   99  99  99  N3    C2    O2    -4.248 0.700 121.900 
117.652 -6.07 N 
464 8  B B B G   G   G   100 100 100 N3    C4    C5    -2.549 0.500 128.600 
126.051 -5.10 N 
465 8  B B B G   G   G   100 100 100 "O4'" "C1'" N9    5.348  0.800 108.200 
113.548 6.68  N 
466 8  B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.921  0.800 108.200 
113.121 6.15  N 
467 8  B B B U   U   U   104 104 104 "O4'" "C1'" N1    4.958  0.800 108.200 
113.158 6.20  N 
468 8  B B B C   C   C   106 106 106 N3    C2    O2    -4.262 0.700 121.900 
117.638 -6.09 N 
469 8  B B B C   C   C   107 107 107 N3    C2    O2    -3.839 0.700 121.900 
118.061 -5.48 N 
470 8  B B B C   C   C   108 108 108 N3    C2    O2    -4.285 0.700 121.900 
117.615 -6.12 N 
471 8  B B B C   C   C   109 109 109 "O4'" "C1'" N1    4.423  0.800 108.200 
112.623 5.53  N 
472 8  B B B C   C   C   109 109 109 N1    C2    O2    3.997  0.600 118.900 
122.897 6.66  N 
473 8  B B B C   C   C   109 109 109 N3    C2    O2    -5.127 0.700 121.900 
116.773 -7.32 N 
474 9  A A A ARG ARG ARG 9   9   9   NE    CZ    NH1   2.517  0.500 120.300 
122.817 5.03  N 
475 9  A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.575  0.500 120.300 
122.875 5.15  N 
476 9  A A A ARG ARG ARG 24  24  24  NE    CZ    NH1   2.964  0.500 120.300 
123.264 5.93  N 
477 9  A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   2.957  0.500 120.300 
123.257 5.91  N 
478 9  A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   2.773  0.500 120.300 
123.073 5.54  N 
479 9  A A A ARG ARG ARG 60  60  60  NE    CZ    NH1   2.725  0.500 120.300 
123.025 5.45  N 
480 9  A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   2.727  0.500 120.300 
123.027 5.45  N 
481 9  A A A ARG ARG ARG 84  84  84  NE    CZ    NH2   2.677  0.500 120.300 
122.977 5.36  N 
482 9  B B B C   C   C   97  97  97  N3    C2    O2    -4.366 0.700 121.900 
117.534 -6.24 N 
483 9  B B B C   C   C   97  97  97  N1    C2    O2    3.015  0.600 118.900 
121.915 5.03  N 
484 9  B B B U   U   U   98  98  98  "O4'" "C1'" N1    4.294  0.800 108.200 
112.494 5.37  N 
485 9  B B B U   U   U   98  98  98  N3    C2    O2    -3.683 0.700 122.200 
118.517 -5.26 N 
486 9  B B B C   C   C   99  99  99  N3    C2    O2    -5.037 0.700 121.900 
116.863 -7.20 N 
487 9  B B B C   C   C   99  99  99  "O4'" "C1'" N1    5.730  0.800 108.200 
113.930 7.16  N 
488 9  B B B C   C   C   99  99  99  N1    C2    O2    4.057  0.600 118.900 
122.957 6.76  N 
489 9  B B B C   C   C   101 101 101 N1    C2    O2    3.006  0.600 118.900 
121.906 5.01  N 
490 9  B B B C   C   C   101 101 101 N3    C2    O2    -3.899 0.700 121.900 
118.001 -5.57 N 
491 9  B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.443  0.800 108.200 
112.643 5.55  N 
492 9  B B B U   U   U   102 102 102 "C3'" "C2'" "C1'" 4.777  0.800 101.500 
106.277 5.97  N 
493 9  B B B U   U   U   103 103 103 "O4'" "C1'" N1    7.470  0.800 108.200 
115.670 9.34  N 
494 9  B B B U   U   U   103 103 103 N3    C2    O2    -4.639 0.700 122.200 
117.561 -6.63 N 
495 9  B B B U   U   U   104 104 104 "O4'" "C1'" N1    5.394  0.800 108.200 
113.594 6.74  N 
496 9  B B B U   U   U   105 105 105 "O4'" "C1'" N1    9.596  0.800 108.200 
117.796 11.99 N 
497 9  B B B U   U   U   105 105 105 N3    C2    O2    -3.625 0.700 122.200 
118.575 -5.18 N 
498 9  B B B U   U   U   105 105 105 "C1'" "O4'" "C4'" -5.862 0.800 109.900 
104.038 -7.33 N 
499 9  B B B C   C   C   106 106 106 "O4'" "C1'" N1    4.439  0.800 108.200 
112.639 5.55  N 
500 9  B B B C   C   C   106 106 106 N3    C2    O2    -5.328 0.700 121.900 
116.572 -7.61 N 
501 9  B B B C   C   C   106 106 106 N1    C2    O2    4.216  0.600 118.900 
123.116 7.03  N 
502 9  B B B C   C   C   107 107 107 N3    C2    O2    -4.314 0.700 121.900 
117.586 -6.16 N 
503 9  B B B C   C   C   107 107 107 N1    C2    O2    3.109  0.600 118.900 
122.009 5.18  N 
504 9  B B B C   C   C   108 108 108 N3    C2    O2    -4.462 0.700 121.900 
117.438 -6.37 N 
505 9  B B B C   C   C   108 108 108 N1    C2    O2    3.131  0.600 118.900 
122.031 5.22  N 
506 9  B B B C   C   C   109 109 109 N1    C2    O2    3.053  0.600 118.900 
121.953 5.09  N 
507 9  B B B C   C   C   109 109 109 N3    C2    O2    -4.338 0.700 121.900 
117.562 -6.20 N 
508 10 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.540  0.500 120.300 
122.840 5.08  N 
509 10 A A A ARG ARG ARG 24  24  24  NE    CZ    NH1   2.536  0.500 120.300 
122.836 5.07  N 
510 10 A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   3.013  0.500 120.300 
123.313 6.03  N 
511 10 A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   2.512  0.500 120.300 
122.812 5.02  N 
512 10 A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   3.287  0.500 120.300 
123.587 6.57  N 
513 10 A A A ARG ARG ARG 84  84  84  NE    CZ    NH2   3.186  0.500 120.300 
123.486 6.37  N 
514 10 B B B G   G   G   95  95  95  N3    C4    C5    -2.733 0.500 128.600 
125.867 -5.47 N 
515 10 B B B G   G   G   95  95  95  "O4'" "C1'" N9    6.971  0.800 108.200 
115.171 8.71  N 
516 10 B B B U   U   U   96  96  96  "O4'" "C1'" N1    6.881  0.800 108.200 
115.081 8.60  N 
517 10 B B B U   U   U   96  96  96  N3    C2    O2    -4.454 0.700 122.200 
117.746 -6.36 N 
518 10 B B B C   C   C   97  97  97  N3    C2    O2    -4.308 0.700 121.900 
117.592 -6.15 N 
519 10 B B B C   C   C   97  97  97  N1    C2    O2    3.073  0.600 118.900 
121.973 5.12  N 
520 10 B B B C   C   C   99  99  99  N3    C2    O2    -4.935 0.700 121.900 
116.965 -7.05 N 
521 10 B B B C   C   C   99  99  99  N1    C2    O2    3.369  0.600 118.900 
122.269 5.62  N 
522 10 B B B C   C   C   101 101 101 N1    C2    O2    3.244  0.600 118.900 
122.144 5.41  N 
523 10 B B B C   C   C   101 101 101 N3    C4    C5    2.042  0.400 121.900 
123.942 5.11  N 
524 10 B B B C   C   C   101 101 101 N3    C2    O2    -4.133 0.700 121.900 
117.767 -5.90 N 
525 10 B B B U   U   U   103 103 103 "O4'" "C1'" N1    7.176  0.800 108.200 
115.376 8.97  N 
526 10 B B B U   U   U   103 103 103 N3    C2    O2    -5.005 0.700 122.200 
117.195 -7.15 N 
527 10 B B B C   C   C   106 106 106 "O4'" "C1'" N1    4.164  0.800 108.200 
112.364 5.21  N 
528 10 B B B C   C   C   106 106 106 N3    C2    O2    -5.110 0.700 121.900 
116.790 -7.30 N 
529 10 B B B C   C   C   106 106 106 N1    C2    O2    3.843  0.600 118.900 
122.743 6.40  N 
530 10 B B B C   C   C   107 107 107 N3    C2    O2    -4.199 0.700 121.900 
117.701 -6.00 N 
531 10 B B B C   C   C   108 108 108 N3    C2    O2    -4.501 0.700 121.900 
117.399 -6.43 N 
532 10 B B B C   C   C   108 108 108 N1    C2    O2    3.088  0.600 118.900 
121.988 5.15  N 
533 10 B B B C   C   C   109 109 109 N3    C2    O2    -4.275 0.700 121.900 
117.625 -6.11 N 
534 11 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.729  0.500 120.300 
123.029 5.46  N 
535 11 A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   2.664  0.500 120.300 
122.964 5.33  N 
536 11 A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.894  0.500 120.300 
123.194 5.79  N 
537 11 A A A ARG ARG ARG 49  49  49  NE    CZ    NH1   2.704  0.500 120.300 
123.004 5.41  N 
538 11 A A A ARG ARG ARG 60  60  60  NE    CZ    NH1   3.552  0.500 120.300 
123.852 7.11  N 
539 11 A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   3.254  0.500 120.300 
123.554 6.51  N 
540 11 A A A ARG ARG ARG 84  84  84  NE    CZ    NH1   2.670  0.500 120.300 
122.970 5.34  N 
541 11 B B B C   C   C   97  97  97  N3    C2    O2    -5.475 0.700 121.900 
116.425 -7.82 N 
542 11 B B B C   C   C   97  97  97  N1    C2    O2    4.475  0.600 118.900 
123.375 7.46  N 
543 11 B B B C   C   C   97  97  97  "O4'" "C1'" N1    7.288  0.800 108.200 
115.488 9.11  N 
544 11 B B B U   U   U   98  98  98  N3    C2    O2    -3.568 0.700 122.200 
118.632 -5.10 N 
545 11 B B B C   C   C   99  99  99  N3    C2    O2    -5.403 0.700 121.900 
116.497 -7.72 N 
546 11 B B B C   C   C   99  99  99  N1    C2    O2    4.134  0.600 118.900 
123.034 6.89  N 
547 11 B B B G   G   G   100 100 100 N1    C6    O6    -3.165 0.600 119.900 
116.735 -5.27 N 
548 11 B B B G   G   G   100 100 100 "O4'" "C1'" N9    4.383  0.800 108.200 
112.583 5.48  N 
549 11 B B B C   C   C   101 101 101 N3    C2    O2    -3.964 0.700 121.900 
117.936 -5.66 N 
550 11 B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.606  0.800 108.200 
112.806 5.76  N 
551 11 B B B U   U   U   103 103 103 "O4'" "C1'" N1    5.787  0.800 108.200 
113.987 7.23  N 
552 11 B B B U   U   U   103 103 103 N3    C2    O2    -5.105 0.700 122.200 
117.095 -7.29 N 
553 11 B B B U   U   U   105 105 105 N3    C2    O2    -4.052 0.700 122.200 
118.148 -5.79 N 
554 11 B B B C   C   C   106 106 106 "O4'" "C1'" N1    4.487  0.800 108.200 
112.687 5.61  N 
555 11 B B B C   C   C   106 106 106 N3    C2    O2    -5.075 0.700 121.900 
116.825 -7.25 N 
556 11 B B B C   C   C   106 106 106 N1    C2    O2    3.900  0.600 118.900 
122.800 6.50  N 
557 11 B B B C   C   C   107 107 107 N3    C2    O2    -4.471 0.700 121.900 
117.429 -6.39 N 
558 11 B B B C   C   C   107 107 107 N1    C2    O2    3.022  0.600 118.900 
121.922 5.04  N 
559 11 B B B C   C   C   108 108 108 N3    C2    O2    -4.403 0.700 121.900 
117.497 -6.29 N 
560 11 B B B C   C   C   109 109 109 N3    C2    O2    -4.262 0.700 121.900 
117.638 -6.09 N 
561 12 A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   2.980  0.500 120.300 
123.280 5.96  N 
562 12 A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   3.225  0.500 120.300 
123.525 6.45  N 
563 12 A A A ARG ARG ARG 49  49  49  NE    CZ    NH1   2.614  0.500 120.300 
122.914 5.23  N 
564 12 A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   2.668  0.500 120.300 
122.968 5.34  N 
565 12 A A A ARG ARG ARG 84  84  84  NE    CZ    NH2   2.549  0.500 120.300 
122.849 5.10  N 
566 12 B B B G   G   G   95  95  95  "O4'" "C1'" N9    5.322  0.800 108.200 
113.522 6.65  N 
567 12 B B B C   C   C   97  97  97  N3    C2    O2    -4.166 0.700 121.900 
117.734 -5.95 N 
568 12 B B B C   C   C   97  97  97  N1    C2    O2    3.038  0.600 118.900 
121.938 5.06  N 
569 12 B B B U   U   U   98  98  98  "O4'" "C1'" N1    8.708  0.800 108.200 
116.908 10.88 N 
570 12 B B B U   U   U   98  98  98  N3    C2    O2    -4.657 0.700 122.200 
117.543 -6.65 N 
571 12 B B B C   C   C   99  99  99  N3    C2    O2    -5.424 0.700 121.900 
116.476 -7.75 N 
572 12 B B B C   C   C   99  99  99  "O4'" "C1'" N1    7.554  0.800 108.200 
115.754 9.44  N 
573 12 B B B C   C   C   99  99  99  N1    C2    O2    4.213  0.600 118.900 
123.113 7.02  N 
574 12 B B B G   G   G   100 100 100 N1    C6    O6    -3.146 0.600 119.900 
116.754 -5.24 N 
575 12 B B B C   C   C   101 101 101 N3    C2    O2    -3.796 0.700 121.900 
118.104 -5.42 N 
576 12 B B B U   U   U   103 103 103 "O4'" "C1'" N1    6.935  0.800 108.200 
115.135 8.67  N 
577 12 B B B U   U   U   103 103 103 N3    C2    O2    -4.081 0.700 122.200 
118.119 -5.83 N 
578 12 B B B U   U   U   104 104 104 "C5'" "C4'" "O4'" 6.589  1.200 109.100 
115.689 5.49  N 
579 12 B B B U   U   U   104 104 104 "O4'" "C1'" N1    4.334  0.800 108.200 
112.534 5.42  N 
580 12 B B B C   C   C   106 106 106 N3    C2    O2    -4.187 0.700 121.900 
117.713 -5.98 N 
581 12 B B B C   C   C   107 107 107 N3    C2    O2    -5.452 0.700 121.900 
116.448 -7.79 N 
582 12 B B B C   C   C   107 107 107 N1    C2    O2    4.221  0.600 118.900 
123.121 7.04  N 
583 12 B B B C   C   C   108 108 108 N3    C2    O2    -4.382 0.700 121.900 
117.518 -6.26 N 
584 12 B B B C   C   C   108 108 108 N1    C2    O2    3.144  0.600 118.900 
122.044 5.24  N 
585 12 B B B C   C   C   109 109 109 N1    C2    O2    3.087  0.600 118.900 
121.987 5.15  N 
586 12 B B B C   C   C   109 109 109 N3    C2    O2    -4.380 0.700 121.900 
117.520 -6.26 N 
587 13 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.665  0.500 120.300 
122.965 5.33  N 
588 13 A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   3.032  0.500 120.300 
123.332 6.07  N 
589 13 A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   2.674  0.500 120.300 
122.974 5.35  N 
590 13 A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   2.776  0.500 120.300 
123.076 5.55  N 
591 13 A A A ARG ARG ARG 60  60  60  NE    CZ    NH2   2.970  0.500 120.300 
123.270 5.94  N 
592 13 A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   3.249  0.500 120.300 
123.549 6.50  N 
593 13 B B B U   U   U   96  96  96  "O4'" "C1'" N1    4.948  0.800 108.200 
113.148 6.18  N 
594 13 B B B U   U   U   96  96  96  N3    C2    O2    -3.981 0.700 122.200 
118.219 -5.69 N 
595 13 B B B C   C   C   97  97  97  N3    C2    O2    -4.593 0.700 121.900 
117.307 -6.56 N 
596 13 B B B C   C   C   97  97  97  "O4'" "C1'" N1    4.657  0.800 108.200 
112.857 5.82  N 
597 13 B B B C   C   C   99  99  99  N3    C2    O2    -5.145 0.700 121.900 
116.755 -7.35 N 
598 13 B B B C   C   C   99  99  99  "O4'" "C1'" N1    6.535  0.800 108.200 
114.735 8.17  N 
599 13 B B B C   C   C   99  99  99  N1    C2    O2    4.101  0.600 118.900 
123.001 6.83  N 
600 13 B B B G   G   G   100 100 100 P     "O3'" "C3'" 9.295  1.200 119.700 
128.995 7.75  Y 
601 13 B B B G   G   G   100 100 100 N1    C6    O6    -3.430 0.600 119.900 
116.470 -5.72 N 
602 13 B B B C   C   C   101 101 101 N3    C4    C5    2.020  0.400 121.900 
123.920 5.05  N 
603 13 B B B C   C   C   101 101 101 N3    C2    O2    -3.943 0.700 121.900 
117.957 -5.63 N 
604 13 B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.965  0.800 108.200 
113.165 6.21  N 
605 13 B B B U   U   U   103 103 103 "O4'" "C1'" N1    6.981  0.800 108.200 
115.181 8.73  N 
606 13 B B B U   U   U   103 103 103 N3    C2    O2    -5.293 0.700 122.200 
116.907 -7.56 N 
607 13 B B B C   C   C   106 106 106 N3    C2    O2    -5.237 0.700 121.900 
116.663 -7.48 N 
608 13 B B B C   C   C   106 106 106 N1    C2    O2    3.887  0.600 118.900 
122.787 6.48  N 
609 13 B B B C   C   C   107 107 107 N3    C2    O2    -4.327 0.700 121.900 
117.573 -6.18 N 
610 13 B B B C   C   C   108 108 108 N3    C2    O2    -4.288 0.700 121.900 
117.612 -6.13 N 
611 13 B B B C   C   C   109 109 109 "O4'" "C1'" N1    4.288  0.800 108.200 
112.488 5.36  N 
612 13 B B B C   C   C   109 109 109 N1    C2    O2    3.878  0.600 118.900 
122.778 6.46  N 
613 13 B B B C   C   C   109 109 109 N3    C2    O2    -5.079 0.700 121.900 
116.821 -7.25 N 
614 14 A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   2.586  0.500 120.300 
122.886 5.17  N 
615 14 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.521  0.500 120.300 
122.821 5.04  N 
616 14 A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.912  0.500 120.300 
123.212 5.82  N 
617 14 A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   3.226  0.500 120.300 
123.526 6.45  N 
618 14 B B B C   C   C   97  97  97  N3    C2    O2    -4.506 0.700 121.900 
117.394 -6.44 N 
619 14 B B B C   C   C   99  99  99  N3    C2    O2    -3.693 0.700 121.900 
118.207 -5.28 N 
620 14 B B B C   C   C   99  99  99  "O4'" "C1'" N1    4.016  0.800 108.200 
112.216 5.02  N 
621 14 B B B G   G   G   100 100 100 N1    C6    O6    -3.330 0.600 119.900 
116.570 -5.55 N 
622 14 B B B C   C   C   101 101 101 N3    C2    O2    -3.950 0.700 121.900 
117.950 -5.64 N 
623 14 B B B U   U   U   103 103 103 "O4'" "C1'" N1    5.036  0.800 108.200 
113.236 6.29  N 
624 14 B B B U   U   U   103 103 103 N3    C2    O2    -4.688 0.700 122.200 
117.512 -6.70 N 
625 14 B B B C   C   C   106 106 106 "O4'" "C1'" N1    4.891  0.800 108.200 
113.091 6.11  N 
626 14 B B B C   C   C   106 106 106 N3    C2    O2    -4.434 0.700 121.900 
117.466 -6.33 N 
627 14 B B B C   C   C   106 106 106 N1    C2    O2    3.054  0.600 118.900 
121.954 5.09  N 
628 14 B B B C   C   C   107 107 107 "C1'" "O4'" "C4'" -4.436 0.800 109.900 
105.464 -5.55 N 
629 14 B B B C   C   C   107 107 107 N3    C2    O2    -4.402 0.700 121.900 
117.498 -6.29 N 
630 14 B B B C   C   C   107 107 107 N1    C2    O2    3.015  0.600 118.900 
121.915 5.03  N 
631 14 B B B C   C   C   107 107 107 "O4'" "C1'" N1    4.980  0.800 108.200 
113.180 6.22  N 
632 14 B B B C   C   C   108 108 108 N3    C2    O2    -4.477 0.700 121.900 
117.423 -6.40 N 
633 14 B B B C   C   C   108 108 108 "O4'" "C1'" N1    4.376  0.800 108.200 
112.576 5.47  N 
634 14 B B B C   C   C   109 109 109 N1    C2    O2    3.162  0.600 118.900 
122.062 5.27  N 
635 14 B B B C   C   C   109 109 109 N3    C2    O2    -4.441 0.700 121.900 
117.459 -6.34 N 
636 15 A A A ARG ARG ARG 9   9   9   NE    CZ    NH1   2.646  0.500 120.300 
122.946 5.29  N 
637 15 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   3.792  0.500 120.300 
124.092 7.58  N 
638 15 A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   2.693  0.500 120.300 
122.993 5.39  N 
639 15 A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   2.711  0.500 120.300 
123.011 5.42  N 
640 15 A A A ARG ARG ARG 60  60  60  NE    CZ    NH1   2.934  0.500 120.300 
123.234 5.87  N 
641 15 A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   2.517  0.500 120.300 
122.817 5.03  N 
642 15 A A A ARG ARG ARG 84  84  84  NE    CZ    NH1   2.728  0.500 120.300 
123.028 5.46  N 
643 15 B B B G   G   G   95  95  95  "O4'" "C1'" N9    4.102  0.800 108.200 
112.302 5.13  N 
644 15 B B B C   C   C   97  97  97  N3    C2    O2    -3.967 0.700 121.900 
117.933 -5.67 N 
645 15 B B B C   C   C   99  99  99  N3    C2    O2    -5.052 0.700 121.900 
116.848 -7.22 N 
646 15 B B B C   C   C   99  99  99  "O4'" "C1'" N1    4.908  0.800 108.200 
113.108 6.13  N 
647 15 B B B C   C   C   99  99  99  N1    C2    O2    4.111  0.600 118.900 
123.011 6.85  N 
648 15 B B B G   G   G   100 100 100 N1    C6    O6    -3.262 0.600 119.900 
116.638 -5.44 N 
649 15 B B B G   G   G   100 100 100 N3    C4    C5    -2.634 0.500 128.600 
125.966 -5.27 N 
650 15 B B B G   G   G   100 100 100 "O4'" "C1'" N9    6.344  0.800 108.200 
114.544 7.93  N 
651 15 B B B C   C   C   101 101 101 N3    C2    O2    -3.599 0.700 121.900 
118.301 -5.14 N 
652 15 B B B U   U   U   103 103 103 "O4'" "C1'" N1    7.604  0.800 108.200 
115.804 9.51  N 
653 15 B B B U   U   U   103 103 103 N3    C2    O2    -4.818 0.700 122.200 
117.382 -6.88 N 
654 15 B B B C   C   C   106 106 106 N3    C2    O2    -4.381 0.700 121.900 
117.519 -6.26 N 
655 15 B B B C   C   C   106 106 106 N1    C2    O2    3.102  0.600 118.900 
122.002 5.17  N 
656 15 B B B C   C   C   107 107 107 N3    C2    O2    -4.546 0.700 121.900 
117.354 -6.49 N 
657 15 B B B C   C   C   107 107 107 N1    C2    O2    3.056  0.600 118.900 
121.956 5.09  N 
658 15 B B B C   C   C   108 108 108 N3    C2    O2    -4.225 0.700 121.900 
117.675 -6.04 N 
659 15 B B B C   C   C   109 109 109 N3    C2    O2    -4.282 0.700 121.900 
117.618 -6.12 N 
660 16 A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   2.658  0.500 120.300 
122.958 5.32  N 
661 16 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.702  0.500 120.300 
123.002 5.40  N 
662 16 A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   3.011  0.500 120.300 
123.311 6.02  N 
663 16 A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.529  0.500 120.300 
122.829 5.06  N 
664 16 A A A ARG ARG ARG 63  63  63  NE    CZ    NH1   2.867  0.500 120.300 
123.167 5.73  N 
665 16 B B B G   G   G   95  95  95  N3    C4    C5    -2.542 0.500 128.600 
126.058 -5.08 N 
666 16 B B B U   U   U   96  96  96  "C3'" "C2'" "C1'" 4.514  0.800 101.500 
106.014 5.64  N 
667 16 B B B U   U   U   96  96  96  "O4'" "C1'" N1    8.731  0.800 108.200 
116.931 10.91 N 
668 16 B B B U   U   U   96  96  96  N3    C2    O2    -4.978 0.700 122.200 
117.222 -7.11 N 
669 16 B B B C   C   C   97  97  97  N3    C2    O2    -4.918 0.700 121.900 
116.982 -7.03 N 
670 16 B B B C   C   C   97  97  97  N1    C2    O2    3.215  0.600 118.900 
122.115 5.36  N 
671 16 B B B U   U   U   98  98  98  N3    C2    O2    -3.773 0.700 122.200 
118.427 -5.39 N 
672 16 B B B C   C   C   99  99  99  N3    C2    O2    -4.905 0.700 121.900 
116.995 -7.01 N 
673 16 B B B C   C   C   99  99  99  "O4'" "C1'" N1    5.947  0.800 108.200 
114.147 7.43  N 
674 16 B B B C   C   C   99  99  99  N1    C2    O2    3.939  0.600 118.900 
122.839 6.56  N 
675 16 B B B U   U   U   102 102 102 "C3'" "C2'" "C1'" 4.577  0.800 101.500 
106.077 5.72  N 
676 16 B B B U   U   U   103 103 103 "O4'" "C1'" N1    7.580  0.800 108.200 
115.780 9.47  N 
677 16 B B B U   U   U   103 103 103 N3    C2    O2    -4.538 0.700 122.200 
117.662 -6.48 N 
678 16 B B B C   C   C   106 106 106 N3    C2    O2    -5.113 0.700 121.900 
116.787 -7.30 N 
679 16 B B B C   C   C   106 106 106 N1    C2    O2    3.819  0.600 118.900 
122.719 6.37  N 
680 16 B B B C   C   C   107 107 107 N3    C2    O2    -4.387 0.700 121.900 
117.513 -6.27 N 
681 16 B B B C   C   C   107 107 107 N1    C2    O2    3.166  0.600 118.900 
122.066 5.28  N 
682 16 B B B C   C   C   108 108 108 N3    C2    O2    -4.429 0.700 121.900 
117.471 -6.33 N 
683 16 B B B C   C   C   108 108 108 N1    C2    O2    3.172  0.600 118.900 
122.072 5.29  N 
684 16 B B B C   C   C   109 109 109 N1    C2    O2    3.092  0.600 118.900 
121.992 5.15  N 
685 16 B B B C   C   C   109 109 109 N3    C2    O2    -4.385 0.700 121.900 
117.515 -6.26 N 
686 17 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.707  0.500 120.300 
123.007 5.41  N 
687 17 A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   2.828  0.500 120.300 
123.128 5.66  N 
688 17 A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.924  0.500 120.300 
123.224 5.85  N 
689 17 A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   3.461  0.500 120.300 
123.761 6.92  N 
690 17 A A A ARG ARG ARG 63  63  63  NE    CZ    NH2   2.931  0.500 120.300 
123.231 5.86  N 
691 17 A A A ARG ARG ARG 84  84  84  NE    CZ    NH2   2.772  0.500 120.300 
123.072 5.54  N 
692 17 B B B G   G   G   95  95  95  "O4'" "C1'" N9    6.135  0.800 108.200 
114.335 7.67  N 
693 17 B B B C   C   C   97  97  97  N3    C2    O2    -4.206 0.700 121.900 
117.694 -6.01 N 
694 17 B B B C   C   C   99  99  99  N3    C2    O2    -4.477 0.700 121.900 
117.423 -6.40 N 
695 17 B B B G   G   G   100 100 100 "O4'" "C1'" N9    4.546  0.800 108.200 
112.746 5.68  N 
696 17 B B B C   C   C   101 101 101 N3    C2    O2    -3.624 0.700 121.900 
118.276 -5.18 N 
697 17 B B B U   U   U   102 102 102 "C3'" "C2'" "C1'" 4.555  0.800 101.500 
106.055 5.69  N 
698 17 B B B U   U   U   103 103 103 "O4'" "C1'" N1    6.759  0.800 108.200 
114.959 8.45  N 
699 17 B B B U   U   U   103 103 103 N3    C2    O2    -4.872 0.700 122.200 
117.328 -6.96 N 
700 17 B B B C   C   C   106 106 106 "O4'" "C1'" N1    4.786  0.800 108.200 
112.986 5.98  N 
701 17 B B B C   C   C   106 106 106 N3    C2    O2    -4.662 0.700 121.900 
117.238 -6.66 N 
702 17 B B B C   C   C   106 106 106 N1    C2    O2    3.010  0.600 118.900 
121.910 5.02  N 
703 17 B B B C   C   C   107 107 107 N3    C2    O2    -4.333 0.700 121.900 
117.567 -6.19 N 
704 17 B B B C   C   C   107 107 107 N1    C2    O2    3.006  0.600 118.900 
121.906 5.01  N 
705 17 B B B C   C   C   107 107 107 "O4'" "C1'" N1    4.596  0.800 108.200 
112.796 5.74  N 
706 17 B B B C   C   C   108 108 108 N3    C2    O2    -4.140 0.700 121.900 
117.760 -5.92 N 
707 17 B B B C   C   C   109 109 109 N1    C2    O2    3.145  0.600 118.900 
122.045 5.24  N 
708 17 B B B C   C   C   109 109 109 N3    C2    O2    -4.531 0.700 121.900 
117.369 -6.47 N 
709 18 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.711  0.500 120.300 
123.011 5.42  N 
710 18 A A A ARG ARG ARG 24  24  24  NE    CZ    NH2   2.900  0.500 120.300 
123.200 5.80  N 
711 18 A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.917  0.500 120.300 
123.217 5.83  N 
712 18 A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   2.873  0.500 120.300 
123.173 5.75  N 
713 18 A A A ARG ARG ARG 60  60  60  NE    CZ    NH2   2.772  0.500 120.300 
123.072 5.54  N 
714 18 A A A ARG ARG ARG 63  63  63  NE    CZ    NH1   2.924  0.500 120.300 
123.224 5.85  N 
715 18 B B B G   G   G   95  95  95  "O4'" "C1'" N9    4.169  0.800 108.200 
112.369 5.21  N 
716 18 B B B C   C   C   97  97  97  N3    C2    O2    -3.988 0.700 121.900 
117.912 -5.70 N 
717 18 B B B C   C   C   99  99  99  N3    C2    O2    -5.306 0.700 121.900 
116.594 -7.58 N 
718 18 B B B C   C   C   99  99  99  "O4'" "C1'" N1    5.893  0.800 108.200 
114.093 7.37  N 
719 18 B B B C   C   C   99  99  99  N1    C2    O2    4.347  0.600 118.900 
123.247 7.25  N 
720 18 B B B G   G   G   100 100 100 N1    C6    O6    -3.141 0.600 119.900 
116.759 -5.24 N 
721 18 B B B C   C   C   101 101 101 N1    C2    O2    3.059  0.600 118.900 
121.959 5.10  N 
722 18 B B B C   C   C   101 101 101 N3    C4    C5    2.108  0.400 121.900 
124.008 5.27  N 
723 18 B B B C   C   C   101 101 101 N3    C2    O2    -4.133 0.700 121.900 
117.767 -5.90 N 
724 18 B B B C   C   C   106 106 106 N3    C2    O2    -4.312 0.700 121.900 
117.588 -6.16 N 
725 18 B B B C   C   C   106 106 106 N1    C2    O2    3.046  0.600 118.900 
121.946 5.08  N 
726 18 B B B C   C   C   107 107 107 N3    C2    O2    -4.612 0.700 121.900 
117.288 -6.59 N 
727 18 B B B C   C   C   107 107 107 N1    C2    O2    3.002  0.600 118.900 
121.902 5.00  N 
728 18 B B B C   C   C   108 108 108 N3    C2    O2    -4.990 0.700 121.900 
116.910 -7.13 N 
729 18 B B B C   C   C   108 108 108 N1    C2    O2    3.946  0.600 118.900 
122.846 6.58  N 
730 18 B B B C   C   C   108 108 108 "O4'" "C1'" N1    4.993  0.800 108.200 
113.193 6.24  N 
731 18 B B B C   C   C   109 109 109 N1    C2    O2    3.037  0.600 118.900 
121.937 5.06  N 
732 18 B B B C   C   C   109 109 109 N3    C2    O2    -4.371 0.700 121.900 
117.529 -6.24 N 
733 19 A A A ARG ARG ARG 9   9   9   NE    CZ    NH1   2.714  0.500 120.300 
123.014 5.43  N 
734 19 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   2.979  0.500 120.300 
123.279 5.96  N 
735 19 A A A ARG ARG ARG 24  24  24  NE    CZ    NH1   3.088  0.500 120.300 
123.388 6.18  N 
736 19 A A A ARG ARG ARG 29  29  29  NE    CZ    NH1   2.881  0.500 120.300 
123.181 5.76  N 
737 19 A A A ARG ARG ARG 49  49  49  NE    CZ    NH1   2.786  0.500 120.300 
123.086 5.57  N 
738 19 A A A ARG ARG ARG 60  60  60  NE    CZ    NH2   3.401  0.500 120.300 
123.701 6.80  N 
739 19 A A A ARG ARG ARG 63  63  63  NE    CZ    NH1   3.193  0.500 120.300 
123.493 6.39  N 
740 19 B B B C   C   C   97  97  97  N3    C2    O2    -4.963 0.700 121.900 
116.937 -7.09 N 
741 19 B B B C   C   C   97  97  97  N1    C2    O2    3.308  0.600 118.900 
122.208 5.51  N 
742 19 B B B U   U   U   98  98  98  N3    C2    O2    -3.664 0.700 122.200 
118.536 -5.23 N 
743 19 B B B C   C   C   99  99  99  N3    C2    O2    -4.710 0.700 121.900 
117.190 -6.73 N 
744 19 B B B C   C   C   99  99  99  "C1'" "O4'" "C4'" -4.961 0.800 109.900 
104.939 -6.20 N 
745 19 B B B U   U   U   103 103 103 "O4'" "C1'" N1    7.391  0.800 108.200 
115.591 9.24  N 
746 19 B B B U   U   U   103 103 103 N3    C2    O2    -4.368 0.700 122.200 
117.832 -6.24 N 
747 19 B B B U   U   U   105 105 105 "O4'" "C1'" N1    5.704  0.800 108.200 
113.904 7.13  N 
748 19 B B B U   U   U   105 105 105 N3    C2    O2    -3.863 0.700 122.200 
118.337 -5.52 N 
749 19 B B B C   C   C   106 106 106 N3    C2    O2    -4.599 0.700 121.900 
117.301 -6.57 N 
750 19 B B B C   C   C   106 106 106 N1    C2    O2    3.279  0.600 118.900 
122.179 5.46  N 
751 19 B B B C   C   C   107 107 107 N3    C2    O2    -4.508 0.700 121.900 
117.392 -6.44 N 
752 19 B B B C   C   C   107 107 107 N1    C2    O2    3.025  0.600 118.900 
121.925 5.04  N 
753 19 B B B C   C   C   108 108 108 N3    C2    O2    -4.361 0.700 121.900 
117.539 -6.23 N 
754 19 B B B C   C   C   109 109 109 "O4'" "C1'" N1    5.489  0.800 108.200 
113.689 6.86  N 
755 19 B B B C   C   C   109 109 109 N1    C2    O2    3.956  0.600 118.900 
122.856 6.59  N 
756 19 B B B C   C   C   109 109 109 N3    C2    O2    -5.124 0.700 121.900 
116.776 -7.32 N 
757 20 A A A ARG ARG ARG 9   9   9   NE    CZ    NH2   3.165  0.500 120.300 
123.465 6.33  N 
758 20 A A A ARG ARG ARG 20  20  20  NE    CZ    NH2   3.276  0.500 120.300 
123.576 6.55  N 
759 20 A A A ARG ARG ARG 29  29  29  NE    CZ    NH2   3.171  0.500 120.300 
123.471 6.34  N 
760 20 A A A ARG ARG ARG 49  49  49  NE    CZ    NH2   2.610  0.500 120.300 
122.910 5.22  N 
761 20 A A A ARG ARG ARG 84  84  84  NE    CZ    NH1   3.030  0.500 120.300 
123.330 6.06  N 
762 20 B B B C   C   C   97  97  97  N3    C2    O2    -4.239 0.700 121.900 
117.661 -6.06 N 
763 20 B B B C   C   C   97  97  97  "O4'" "C1'" N1    4.087  0.800 108.200 
112.287 5.11  N 
764 20 B B B U   U   U   98  98  98  "O4'" "C1'" N1    4.531  0.800 108.200 
112.731 5.66  N 
765 20 B B B C   C   C   99  99  99  N3    C2    O2    -4.263 0.700 121.900 
117.637 -6.09 N 
766 20 B B B C   C   C   101 101 101 N1    C2    O2    3.171  0.600 118.900 
122.071 5.28  N 
767 20 B B B C   C   C   101 101 101 N3    C2    O2    -4.229 0.700 121.900 
117.671 -6.04 N 
768 20 B B B U   U   U   102 102 102 "O4'" "C1'" N1    4.713  0.800 108.200 
112.913 5.89  N 
769 20 B B B U   U   U   102 102 102 "C3'" "C2'" "C1'" 4.022  0.800 101.500 
105.522 5.03  N 
770 20 B B B U   U   U   103 103 103 N3    C2    O2    -3.557 0.700 122.200 
118.643 -5.08 N 
771 20 B B B C   C   C   106 106 106 N3    C2    O2    -4.484 0.700 121.900 
117.416 -6.41 N 
772 20 B B B C   C   C   107 107 107 N3    C2    O2    -5.117 0.700 121.900 
116.783 -7.31 N 
773 20 B B B C   C   C   107 107 107 N1    C2    O2    3.653  0.600 118.900 
122.553 6.09  N 
774 20 B B B C   C   C   108 108 108 N3    C2    O2    -4.322 0.700 121.900 
117.578 -6.17 N 
775 20 B B B C   C   C   108 108 108 N1    C2    O2    3.110  0.600 118.900 
122.010 5.18  N 
776 20 B B B C   C   C   109 109 109 N3    C2    O2    -4.506 0.700 121.900 
117.394 -6.44 N 
# 
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 7  A LEU 87 HD11 B U 103 "H2'" 0.57 1.75 
2 9  A LEU 87 HD11 B U 103 "H2'" 0.68 1.65 
3 11 A LEU 87 HD11 B U 103 "H2'" 0.40 1.93 
# 
_pdbx_struct_nmr_ens_clust.entry_id                  5U9B 
_pdbx_struct_nmr_ens_clust.clusters_total_number     3 
_pdbx_struct_nmr_ens_clust.conformers_total_number   20 
_pdbx_struct_nmr_ens_clust.outliers_total_number     1 
# 
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  1       N 
3  1       N 
4  3       N 
5  1       N 
6  3       N 
7  2       Y 
8  3       Y 
9  1       N 
10 1       N 
11 1       N 
12 1       N 
13 1       Y 
14 2       N 
15 outlier N 
16 2       N 
17 1       N 
18 1       N 
19 1       N 
20 1       N 
# 
_pdbx_struct_nmr_ens_dom.id                        1 
_pdbx_struct_nmr_ens_dom.medoid_model_number       13 
_pdbx_struct_nmr_ens_dom.distance_rms_dev          0.420 
_pdbx_struct_nmr_ens_dom.distance_rms_dev_medoid   0.296 
_pdbx_struct_nmr_ens_dom.number_of_gaps            1 
_pdbx_struct_nmr_ens_dom.number_of_monomers        71 
_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 10 ASP A 62 SER 
1 2 A 66 CYS A 83 GLY 
# 
loop_
_pdbx_validation_software.ordinal 
_pdbx_validation_software.name 
_pdbx_validation_software.version 
_pdbx_validation_software.classification 
_pdbx_validation_software.details 
1  coreclust           trunk30686 'assessment of nmr ensemble structure' 
;nmrclust_representative_model,nmrclust_number_of_models,residue_string,medoid_model,cyrange_error,rmsd,nmrclust_representative,number_of_residues,cyrange_version,nmrclust_version,medoid_rmsd,cyrange_domain_id,cyrange_number_of_domains,nmrclust_number_of_outliers,percentage_of_core,nmr_models_consistency_flag,validate,nmrclust_error,nmrclust_cluster_id,number_of_gaps,nmrclust_number_of_clusters
;
2  nmrwriter           trunk30686 
'geometric validation of nmr ensemble structure'         
clashscore,percent-rota-outliers,percent-rama-outliers 
3  validation-pipeline trunk30686 'mmcif data extractor' 
;PDB-revision-date,PDB-resolution,protein-DNA-RNA-entities,PDB-Rfree,PDB-R,percentilebins,PDB-resolution-low,pdbid,PDB-revision-number,attemptedValidationSteps,XMLcreationDate,PDB-deposition-date
;
4  mogul               unknown 'geometric validation' mogul-ignore 
5  molprobity          4.02b-467 'geometric validation' 
;relative_rama_percentile,absolute_sidechain_percentile,clashscore-full-length,absolute_rama_percentile,phi,psi,num-H-reduce,clash,percent-rota-outliers-full-length,relative_sidechain_percentile,rota,bonds_rmsz,RNAscore,RNAsuite,bond-outlier,angle-outlier,RNAsuiteness,percent-rama-outliers-full-length,num_bonds_rmsz,RNApucker,RestypesNotcheckedForBondAngleGeometry,angles_rmsz,num_angles_rmsz,rama
;
6  validation-pack     unknown 'geometric validation' plane-outlier 
7  chemicalshifts      trunk30686 'assessment of nmr assigned chemical shifts' 
;rci_version,shiftchecker_version,chemical_shift_completeness,panav_version,chemical_shift_completeness_full_length
;
8  percentiles         
'20171227.v01 (using entries in the PDB archive December 27th 2017)' 
'percentile rank calculation'                            
;numPDBids-absolute-percentile-clashscore,absolute-percentile-percent-rota-outliers,relative-percentile-percent-rama-outliers,relative-percentile-clashscore,numPDBids-absolute-percentile-RNAsuiteness,numPDBids-absolute-percentile-percent-rota-outliers,numPDBids-absolute-percentile-percent-rama-outliers,numPDBids-relative-percentile-RNAsuiteness,numPDBids-relative-percentile-percent-rota-outliers,absolute-percentile-percent-rama-outliers,relative-percentile-RNAsuiteness,relative-percentile-percent-rota-outliers,numPDBids-relative-percentile-clashscore,absolute-percentile-RNAsuiteness,numPDBids-relative-percentile-percent-rama-outliers,absolute-percentile-clashscore
;
9  cyrange             
;Kirchner and G\"{u}ntert (2011)
;
'domain identification of nmr ensemble structure'        ? 
10 nmrclust            'Kelley et al. (1996)' 
'classification of nmr ensemble structure'               ? 
11 panav               'Wang et al. (2010)' 
'nmr chemical shift validation and reference correction' ? 
12 rci                 'v_1n_11_5_13_A (Berjanski et al., 2005)' 
'random coil index prediction from nmr chemical shifts'  ? 
13 shiftchecker        trunk30686 'nmr chemical shift validation' ? 
#