5b1l-validation-full.cif

data_5B1L-validation-full
# 
_diffrn.id             1 
_diffrn.ambient_temp   100 
_diffrn.crystal_id     1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.pdbx_collection_date   2014-02-03 
_diffrn_detector.type                   'DECTRIS PILATUS 2M-F' 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_scattering_type             x-ray 
_diffrn_radiation.wavelength_id                    1 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.1 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.pdbx_synchrotron_beamline   BL-1A 
_diffrn_source.pdbx_synchrotron_site       'Photon Factory' 
_diffrn_source.pdbx_wavelength_list        1.1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'PHOTON FACTORY BEAMLINE BL-1A' 
# 
loop_
_entity.id 
_entity.formula_weight 
_entity.pdbx_description 
_entity.pdbx_number_of_molecules 
_entity.src_method 
_entity.type 
1 15744.451 'Histone H3t'          2   man polymer     
2 11676.703 'Histone H4'           2   man polymer     
3 14447.825 'Histone H2A type 1'   2   man polymer     
4 14307.559 'Histone H2B type 3-A' 2   man polymer     
5 45053.855 'DNA (146-MER)'        2   man polymer     
6 35.453    'CHLORIDE ION'         4   syn non-polymer 
7 54.938    'MANGANESE (II) ION'   13  syn non-polymer 
8 18.015    water                  225 nat water       
# 
loop_
_entity_poly.entity_id 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.type 
1 no no 
;GSHMARTKQTARKSTGGKAPRKQLATKVARKSAPATGGVKKPHRYHPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQ
DFKTDLRFQSSAVMALQEACESYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
;
;GSHMARTKQTARKSTGGKAPRKQLATKVARKSAPATGGVKKPHRYHPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQ
DFKTDLRFQSSAVMALQEACESYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
;
A,E 'polypeptide(L)'        
2 no no 
;GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHA
KRKTVTAMDVVYALKRQGRTLYGFGG
;
;GSHMSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHA
KRKTVTAMDVVYALKRQGRTLYGFGG
;
B,F 'polypeptide(L)'        
3 no no 
;GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKT
RIIPRHLQLAIRNDEELNKLLGRVTIAQGGVLPNIQAVLLPKKTESHHKAKGK
;
;GSHMSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKT
RIIPRHLQLAIRNDEELNKLLGRVTIAQGGVLPNIQAVLLPKKTESHHKAKGK
;
C,G 'polypeptide(L)'        
4 no no 
;GSHMPEPSRSTPAPKKGSKKAITKAQKKDGKKRKRGRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIASE
ASRLAHYNKRSTITSREVQTAVRLLLPGELAKHAVSEGTKAVTKYTSSK
;
;GSHMPEPSRSTPAPKKGSKKAITKAQKKDGKKRKRGRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIASE
ASRLAHYNKRSTITSREVQTAVRLLLPGELAKHAVSEGTKAVTKYTSSK
;
D,H 'polypeptide(L)'        
5 no no 
;(DA)(DT)(DC)(DA)(DA)(DT)(DA)(DT)(DC)(DC)(DA)(DC)(DC)(DT)(DG)(DC)(DA)(DG)(DA)(DT)
(DT)(DC)(DT)(DA)(DC)(DC)(DA)(DA)(DA)(DA)(DG)(DT)(DG)(DT)(DA)(DT)(DT)(DT)(DG)(DG)
(DA)(DA)(DA)(DC)(DT)(DG)(DC)(DT)(DC)(DC)(DA)(DT)(DC)(DA)(DA)(DA)(DA)(DG)(DG)(DC)
(DA)(DT)(DG)(DT)(DT)(DC)(DA)(DG)(DC)(DT)(DG)(DA)(DA)(DT)(DT)(DC)(DA)(DG)(DC)(DT)
(DG)(DA)(DA)(DC)(DA)(DT)(DG)(DC)(DC)(DT)(DT)(DT)(DT)(DG)(DA)(DT)(DG)(DG)(DA)(DG)
(DC)(DA)(DG)(DT)(DT)(DT)(DC)(DC)(DA)(DA)(DA)(DT)(DA)(DC)(DA)(DC)(DT)(DT)(DT)(DT)
(DG)(DG)(DT)(DA)(DG)(DA)(DA)(DT)(DC)(DT)(DG)(DC)(DA)(DG)(DG)(DT)(DG)(DG)(DA)(DT)
(DA)(DT)(DT)(DG)(DA)(DT)
;
;ATCAATATCCACCTGCAGATTCTACCAAAAGTGTATTTGGAAACTGCTCCATCAAAAGGCATGTTCAGCTGAATTCAGCT
GAACATGCCTTTTGATGGAGCAGTTTCCAAATACACTTTTGGTAGAATCTGCAGGTGGATATTGAT
;
I,J polydeoxyribonucleotide 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.mon_id 
_entity_poly_seq.num 
_entity_poly_seq.hetero 
1 GLY 1   n 
1 SER 2   n 
1 HIS 3   n 
1 MET 4   n 
1 ALA 5   n 
1 ARG 6   n 
1 THR 7   n 
1 LYS 8   n 
1 GLN 9   n 
1 THR 10  n 
1 ALA 11  n 
1 ARG 12  n 
1 LYS 13  n 
1 SER 14  n 
1 THR 15  n 
1 GLY 16  n 
1 GLY 17  n 
1 LYS 18  n 
1 ALA 19  n 
1 PRO 20  n 
1 ARG 21  n 
1 LYS 22  n 
1 GLN 23  n 
1 LEU 24  n 
1 ALA 25  n 
1 THR 26  n 
1 LYS 27  n 
1 VAL 28  n 
1 ALA 29  n 
1 ARG 30  n 
1 LYS 31  n 
1 SER 32  n 
1 ALA 33  n 
1 PRO 34  n 
1 ALA 35  n 
1 THR 36  n 
1 GLY 37  n 
1 GLY 38  n 
1 VAL 39  n 
1 LYS 40  n 
1 LYS 41  n 
1 PRO 42  n 
1 HIS 43  n 
1 ARG 44  n 
1 TYR 45  n 
1 HIS 46  n 
1 PRO 47  n 
1 GLY 48  n 
1 THR 49  n 
1 VAL 50  n 
1 ALA 51  n 
1 LEU 52  n 
1 ARG 53  n 
1 GLU 54  n 
1 ILE 55  n 
1 ARG 56  n 
1 ARG 57  n 
1 TYR 58  n 
1 GLN 59  n 
1 LYS 60  n 
1 SER 61  n 
1 THR 62  n 
1 GLU 63  n 
1 LEU 64  n 
1 LEU 65  n 
1 ILE 66  n 
1 ARG 67  n 
1 LYS 68  n 
1 LEU 69  n 
1 PRO 70  n 
1 PHE 71  n 
1 GLN 72  n 
1 ARG 73  n 
1 LEU 74  n 
1 VAL 75  n 
1 ARG 76  n 
1 GLU 77  n 
1 ILE 78  n 
1 ALA 79  n 
1 GLN 80  n 
1 ASP 81  n 
1 PHE 82  n 
1 LYS 83  n 
1 THR 84  n 
1 ASP 85  n 
1 LEU 86  n 
1 ARG 87  n 
1 PHE 88  n 
1 GLN 89  n 
1 SER 90  n 
1 SER 91  n 
1 ALA 92  n 
1 VAL 93  n 
1 MET 94  n 
1 ALA 95  n 
1 LEU 96  n 
1 GLN 97  n 
1 GLU 98  n 
1 ALA 99  n 
1 CYS 100 n 
1 GLU 101 n 
1 SER 102 n 
1 TYR 103 n 
1 LEU 104 n 
1 VAL 105 n 
1 GLY 106 n 
1 LEU 107 n 
1 PHE 108 n 
1 GLU 109 n 
1 ASP 110 n 
1 THR 111 n 
1 ASN 112 n 
1 LEU 113 n 
1 CYS 114 n 
1 ALA 115 n 
1 ILE 116 n 
1 HIS 117 n 
1 ALA 118 n 
1 LYS 119 n 
1 ARG 120 n 
1 VAL 121 n 
1 THR 122 n 
1 ILE 123 n 
1 MET 124 n 
1 PRO 125 n 
1 LYS 126 n 
1 ASP 127 n 
1 ILE 128 n 
1 GLN 129 n 
1 LEU 130 n 
1 ALA 131 n 
1 ARG 132 n 
1 ARG 133 n 
1 ILE 134 n 
1 ARG 135 n 
1 GLY 136 n 
1 GLU 137 n 
1 ARG 138 n 
1 ALA 139 n 
2 GLY 1   n 
2 SER 2   n 
2 HIS 3   n 
2 MET 4   n 
2 SER 5   n 
2 GLY 6   n 
2 ARG 7   n 
2 GLY 8   n 
2 LYS 9   n 
2 GLY 10  n 
2 GLY 11  n 
2 LYS 12  n 
2 GLY 13  n 
2 LEU 14  n 
2 GLY 15  n 
2 LYS 16  n 
2 GLY 17  n 
2 GLY 18  n 
2 ALA 19  n 
2 LYS 20  n 
2 ARG 21  n 
2 HIS 22  n 
2 ARG 23  n 
2 LYS 24  n 
2 VAL 25  n 
2 LEU 26  n 
2 ARG 27  n 
2 ASP 28  n 
2 ASN 29  n 
2 ILE 30  n 
2 GLN 31  n 
2 GLY 32  n 
2 ILE 33  n 
2 THR 34  n 
2 LYS 35  n 
2 PRO 36  n 
2 ALA 37  n 
2 ILE 38  n 
2 ARG 39  n 
2 ARG 40  n 
2 LEU 41  n 
2 ALA 42  n 
2 ARG 43  n 
2 ARG 44  n 
2 GLY 45  n 
2 GLY 46  n 
2 VAL 47  n 
2 LYS 48  n 
2 ARG 49  n 
2 ILE 50  n 
2 SER 51  n 
2 GLY 52  n 
2 LEU 53  n 
2 ILE 54  n 
2 TYR 55  n 
2 GLU 56  n 
2 GLU 57  n 
2 THR 58  n 
2 ARG 59  n 
2 GLY 60  n 
2 VAL 61  n 
2 LEU 62  n 
2 LYS 63  n 
2 VAL 64  n 
2 PHE 65  n 
2 LEU 66  n 
2 GLU 67  n 
2 ASN 68  n 
2 VAL 69  n 
2 ILE 70  n 
2 ARG 71  n 
2 ASP 72  n 
2 ALA 73  n 
2 VAL 74  n 
2 THR 75  n 
2 TYR 76  n 
2 THR 77  n 
2 GLU 78  n 
2 HIS 79  n 
2 ALA 80  n 
2 LYS 81  n 
2 ARG 82  n 
2 LYS 83  n 
2 THR 84  n 
2 VAL 85  n 
2 THR 86  n 
2 ALA 87  n 
2 MET 88  n 
2 ASP 89  n 
2 VAL 90  n 
2 VAL 91  n 
2 TYR 92  n 
2 ALA 93  n 
2 LEU 94  n 
2 LYS 95  n 
2 ARG 96  n 
2 GLN 97  n 
2 GLY 98  n 
2 ARG 99  n 
2 THR 100 n 
2 LEU 101 n 
2 TYR 102 n 
2 GLY 103 n 
2 PHE 104 n 
2 GLY 105 n 
2 GLY 106 n 
3 GLY 1   n 
3 SER 2   n 
3 HIS 3   n 
3 MET 4   n 
3 SER 5   n 
3 GLY 6   n 
3 ARG 7   n 
3 GLY 8   n 
3 LYS 9   n 
3 GLN 10  n 
3 GLY 11  n 
3 GLY 12  n 
3 LYS 13  n 
3 ALA 14  n 
3 ARG 15  n 
3 ALA 16  n 
3 LYS 17  n 
3 ALA 18  n 
3 LYS 19  n 
3 THR 20  n 
3 ARG 21  n 
3 SER 22  n 
3 SER 23  n 
3 ARG 24  n 
3 ALA 25  n 
3 GLY 26  n 
3 LEU 27  n 
3 GLN 28  n 
3 PHE 29  n 
3 PRO 30  n 
3 VAL 31  n 
3 GLY 32  n 
3 ARG 33  n 
3 VAL 34  n 
3 HIS 35  n 
3 ARG 36  n 
3 LEU 37  n 
3 LEU 38  n 
3 ARG 39  n 
3 LYS 40  n 
3 GLY 41  n 
3 ASN 42  n 
3 TYR 43  n 
3 SER 44  n 
3 GLU 45  n 
3 ARG 46  n 
3 VAL 47  n 
3 GLY 48  n 
3 ALA 49  n 
3 GLY 50  n 
3 ALA 51  n 
3 PRO 52  n 
3 VAL 53  n 
3 TYR 54  n 
3 LEU 55  n 
3 ALA 56  n 
3 ALA 57  n 
3 VAL 58  n 
3 LEU 59  n 
3 GLU 60  n 
3 TYR 61  n 
3 LEU 62  n 
3 THR 63  n 
3 ALA 64  n 
3 GLU 65  n 
3 ILE 66  n 
3 LEU 67  n 
3 GLU 68  n 
3 LEU 69  n 
3 ALA 70  n 
3 GLY 71  n 
3 ASN 72  n 
3 ALA 73  n 
3 ALA 74  n 
3 ARG 75  n 
3 ASP 76  n 
3 ASN 77  n 
3 LYS 78  n 
3 LYS 79  n 
3 THR 80  n 
3 ARG 81  n 
3 ILE 82  n 
3 ILE 83  n 
3 PRO 84  n 
3 ARG 85  n 
3 HIS 86  n 
3 LEU 87  n 
3 GLN 88  n 
3 LEU 89  n 
3 ALA 90  n 
3 ILE 91  n 
3 ARG 92  n 
3 ASN 93  n 
3 ASP 94  n 
3 GLU 95  n 
3 GLU 96  n 
3 LEU 97  n 
3 ASN 98  n 
3 LYS 99  n 
3 LEU 100 n 
3 LEU 101 n 
3 GLY 102 n 
3 ARG 103 n 
3 VAL 104 n 
3 THR 105 n 
3 ILE 106 n 
3 ALA 107 n 
3 GLN 108 n 
3 GLY 109 n 
3 GLY 110 n 
3 VAL 111 n 
3 LEU 112 n 
3 PRO 113 n 
3 ASN 114 n 
3 ILE 115 n 
3 GLN 116 n 
3 ALA 117 n 
3 VAL 118 n 
3 LEU 119 n 
3 LEU 120 n 
3 PRO 121 n 
3 LYS 122 n 
3 LYS 123 n 
3 THR 124 n 
3 GLU 125 n 
3 SER 126 n 
3 HIS 127 n 
3 HIS 128 n 
3 LYS 129 n 
3 ALA 130 n 
3 LYS 131 n 
3 GLY 132 n 
3 LYS 133 n 
4 GLY 1   n 
4 SER 2   n 
4 HIS 3   n 
4 MET 4   n 
4 PRO 5   n 
4 GLU 6   n 
4 PRO 7   n 
4 SER 8   n 
4 ARG 9   n 
4 SER 10  n 
4 THR 11  n 
4 PRO 12  n 
4 ALA 13  n 
4 PRO 14  n 
4 LYS 15  n 
4 LYS 16  n 
4 GLY 17  n 
4 SER 18  n 
4 LYS 19  n 
4 LYS 20  n 
4 ALA 21  n 
4 ILE 22  n 
4 THR 23  n 
4 LYS 24  n 
4 ALA 25  n 
4 GLN 26  n 
4 LYS 27  n 
4 LYS 28  n 
4 ASP 29  n 
4 GLY 30  n 
4 LYS 31  n 
4 LYS 32  n 
4 ARG 33  n 
4 LYS 34  n 
4 ARG 35  n 
4 GLY 36  n 
4 ARG 37  n 
4 LYS 38  n 
4 GLU 39  n 
4 SER 40  n 
4 TYR 41  n 
4 SER 42  n 
4 ILE 43  n 
4 TYR 44  n 
4 VAL 45  n 
4 TYR 46  n 
4 LYS 47  n 
4 VAL 48  n 
4 LEU 49  n 
4 LYS 50  n 
4 GLN 51  n 
4 VAL 52  n 
4 HIS 53  n 
4 PRO 54  n 
4 ASP 55  n 
4 THR 56  n 
4 GLY 57  n 
4 ILE 58  n 
4 SER 59  n 
4 SER 60  n 
4 LYS 61  n 
4 ALA 62  n 
4 MET 63  n 
4 GLY 64  n 
4 ILE 65  n 
4 MET 66  n 
4 ASN 67  n 
4 SER 68  n 
4 PHE 69  n 
4 VAL 70  n 
4 ASN 71  n 
4 ASP 72  n 
4 ILE 73  n 
4 PHE 74  n 
4 GLU 75  n 
4 ARG 76  n 
4 ILE 77  n 
4 ALA 78  n 
4 SER 79  n 
4 GLU 80  n 
4 ALA 81  n 
4 SER 82  n 
4 ARG 83  n 
4 LEU 84  n 
4 ALA 85  n 
4 HIS 86  n 
4 TYR 87  n 
4 ASN 88  n 
4 LYS 89  n 
4 ARG 90  n 
4 SER 91  n 
4 THR 92  n 
4 ILE 93  n 
4 THR 94  n 
4 SER 95  n 
4 ARG 96  n 
4 GLU 97  n 
4 VAL 98  n 
4 GLN 99  n 
4 THR 100 n 
4 ALA 101 n 
4 VAL 102 n 
4 ARG 103 n 
4 LEU 104 n 
4 LEU 105 n 
4 LEU 106 n 
4 PRO 107 n 
4 GLY 108 n 
4 GLU 109 n 
4 LEU 110 n 
4 ALA 111 n 
4 LYS 112 n 
4 HIS 113 n 
4 ALA 114 n 
4 VAL 115 n 
4 SER 116 n 
4 GLU 117 n 
4 GLY 118 n 
4 THR 119 n 
4 LYS 120 n 
4 ALA 121 n 
4 VAL 122 n 
4 THR 123 n 
4 LYS 124 n 
4 TYR 125 n 
4 THR 126 n 
4 SER 127 n 
4 SER 128 n 
4 LYS 129 n 
5 DA  1   n 
5 DT  2   n 
5 DC  3   n 
5 DA  4   n 
5 DA  5   n 
5 DT  6   n 
5 DA  7   n 
5 DT  8   n 
5 DC  9   n 
5 DC  10  n 
5 DA  11  n 
5 DC  12  n 
5 DC  13  n 
5 DT  14  n 
5 DG  15  n 
5 DC  16  n 
5 DA  17  n 
5 DG  18  n 
5 DA  19  n 
5 DT  20  n 
5 DT  21  n 
5 DC  22  n 
5 DT  23  n 
5 DA  24  n 
5 DC  25  n 
5 DC  26  n 
5 DA  27  n 
5 DA  28  n 
5 DA  29  n 
5 DA  30  n 
5 DG  31  n 
5 DT  32  n 
5 DG  33  n 
5 DT  34  n 
5 DA  35  n 
5 DT  36  n 
5 DT  37  n 
5 DT  38  n 
5 DG  39  n 
5 DG  40  n 
5 DA  41  n 
5 DA  42  n 
5 DA  43  n 
5 DC  44  n 
5 DT  45  n 
5 DG  46  n 
5 DC  47  n 
5 DT  48  n 
5 DC  49  n 
5 DC  50  n 
5 DA  51  n 
5 DT  52  n 
5 DC  53  n 
5 DA  54  n 
5 DA  55  n 
5 DA  56  n 
5 DA  57  n 
5 DG  58  n 
5 DG  59  n 
5 DC  60  n 
5 DA  61  n 
5 DT  62  n 
5 DG  63  n 
5 DT  64  n 
5 DT  65  n 
5 DC  66  n 
5 DA  67  n 
5 DG  68  n 
5 DC  69  n 
5 DT  70  n 
5 DG  71  n 
5 DA  72  n 
5 DA  73  n 
5 DT  74  n 
5 DT  75  n 
5 DC  76  n 
5 DA  77  n 
5 DG  78  n 
5 DC  79  n 
5 DT  80  n 
5 DG  81  n 
5 DA  82  n 
5 DA  83  n 
5 DC  84  n 
5 DA  85  n 
5 DT  86  n 
5 DG  87  n 
5 DC  88  n 
5 DC  89  n 
5 DT  90  n 
5 DT  91  n 
5 DT  92  n 
5 DT  93  n 
5 DG  94  n 
5 DA  95  n 
5 DT  96  n 
5 DG  97  n 
5 DG  98  n 
5 DA  99  n 
5 DG  100 n 
5 DC  101 n 
5 DA  102 n 
5 DG  103 n 
5 DT  104 n 
5 DT  105 n 
5 DT  106 n 
5 DC  107 n 
5 DC  108 n 
5 DA  109 n 
5 DA  110 n 
5 DA  111 n 
5 DT  112 n 
5 DA  113 n 
5 DC  114 n 
5 DA  115 n 
5 DC  116 n 
5 DT  117 n 
5 DT  118 n 
5 DT  119 n 
5 DT  120 n 
5 DG  121 n 
5 DG  122 n 
5 DT  123 n 
5 DA  124 n 
5 DG  125 n 
5 DA  126 n 
5 DA  127 n 
5 DT  128 n 
5 DC  129 n 
5 DT  130 n 
5 DG  131 n 
5 DC  132 n 
5 DA  133 n 
5 DG  134 n 
5 DG  135 n 
5 DT  136 n 
5 DG  137 n 
5 DG  138 n 
5 DA  139 n 
5 DT  140 n 
5 DA  141 n 
5 DT  142 n 
5 DT  143 n 
5 DG  144 n 
5 DA  145 n 
5 DT  146 n 
# 
_entry.id   5B1L 
# 
_exptl.entry_id          5B1L 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
5B1L 'double helix'        
5B1L 'b-form double helix' 
# 
loop_
_ndb_struct_na_base_pair.i_label_asym_id 
_ndb_struct_na_base_pair.i_label_comp_id 
_ndb_struct_na_base_pair.i_label_seq_id 
_ndb_struct_na_base_pair.i_symmetry 
_ndb_struct_na_base_pair.j_label_asym_id 
_ndb_struct_na_base_pair.j_label_comp_id 
_ndb_struct_na_base_pair.j_label_seq_id 
_ndb_struct_na_base_pair.j_symmetry 
_ndb_struct_na_base_pair.model_number 
_ndb_struct_na_base_pair.buckle 
_ndb_struct_na_base_pair.hbond_type_12 
_ndb_struct_na_base_pair.hbond_type_28 
_ndb_struct_na_base_pair.i_auth_asym_id 
_ndb_struct_na_base_pair.i_auth_seq_id 
_ndb_struct_na_base_pair.j_auth_asym_id 
_ndb_struct_na_base_pair.j_auth_seq_id 
_ndb_struct_na_base_pair.opening 
_ndb_struct_na_base_pair.pair_name 
_ndb_struct_na_base_pair.pair_number 
_ndb_struct_na_base_pair.propeller 
_ndb_struct_na_base_pair.shear 
_ndb_struct_na_base_pair.stagger 
_ndb_struct_na_base_pair.stretch 
I DT 2   1_555 J DA 145 1_555 1 -17.949 1 20 I 2   J 291 -6.780 I_DT2:DA291_J 
1   0.320   -0.765 0.775  -0.013 
I DC 3   1_555 J DG 144 1_555 1 1.523   1 19 I 3   J 290 0.678  I_DC3:DG290_J 
2   -8.962  0.538  -0.252 -0.172 
I DA 4   1_555 J DT 143 1_555 1 0.935   1 20 I 4   J 289 -0.451 I_DA4:DT289_J 
3   -13.350 -0.027 -0.146 -0.088 
I DA 5   1_555 J DT 142 1_555 1 4.733   1 20 I 5   J 288 -2.888 I_DA5:DT288_J 
4   -21.426 0.796  -0.011 -0.137 
I DT 6   1_555 J DA 141 1_555 1 8.179   1 20 I 6   J 287 0.111  I_DT6:DA287_J 
5   -8.227  -0.127 -0.061 -0.116 
I DA 7   1_555 J DT 140 1_555 1 5.735   1 20 I 7   J 286 -2.085 I_DA7:DT286_J 
6   -6.778  0.836  0.229  -0.138 
I DT 8   1_555 J DA 139 1_555 1 4.842   1 20 I 8   J 285 -4.151 I_DT8:DA285_J 
7   -14.360 0.024  0.247  -0.131 
I DC 9   1_555 J DG 138 1_555 1 -7.827  1 19 I 9   J 284 -0.116 I_DC9:DG284_J 
8   -7.434  -0.365 0.291  -0.057 
I DC 10  1_555 J DG 137 1_555 1 -2.105  1 19 I 10  J 283 -1.282 I_DC10:DG283_J 
9   -8.102  -0.580 0.030  -0.085 
I DA 11  1_555 J DT 136 1_555 1 6.194   1 20 I 11  J 282 -3.739 I_DA11:DT282_J 
10  -6.567  -0.470 0.146  -0.265 
I DC 12  1_555 J DG 135 1_555 1 8.498   1 19 I 12  J 281 -0.975 I_DC12:DG281_J 
11  -9.785  0.457  -0.407 -0.233 
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I DA 145 1_555 J DT 2   1_555 1 5.443   1 20 I 145 J 148 -8.432 
I_DA145:DT148_J 144 0.026   -0.743 -0.208 -0.268 
I DT 146 1_555 J DA 1   1_555 1 10.789  1 20 I 146 J 147 3.566  
I_DT146:DA147_J 145 -8.317  -0.074 0.391  -0.223 
# 
loop_
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
I I DT DC 2   3   1_555 1_555 J J DA DG 145 144 1_555 1_555 1 2.737 43.999 I I 
2   3   -16.309 J J 291 290 2.811 -12.030 -0.464 -0.481 
II_DT2DC3:DG290DA291_JJ     1   6.901  -9.356  41.859 0.348  1.187  
I I DC DA 3   4   1_555 1_555 J J DG DT 144 143 1_555 1_555 1 3.509 33.346 I I 
3   4   13.032  J J 290 289 3.386 7.411   -0.684 0.741  
II_DC3DA4:DT289DG290_JJ     2   -2.667 4.689   32.428 -0.025 0.719  
I I DA DA 4   5   1_555 1_555 J J DT DT 143 142 1_555 1_555 1 3.177 40.784 I I 
4   5   -2.878  J J 289 288 3.174 -2.005  -0.154 -0.100 
II_DA4DA5:DT288DT289_JJ     3   -0.853 1.224   40.729 0.072  0.130  
I I DA DT 5   6   1_555 1_555 J J DT DA 142 141 1_555 1_555 1 2.908 24.996 I I 
5   6   8.751   J J 288 287 3.060 3.770   0.621  -1.041 
II_DA5DT6:DA287DT288_JJ     4   1.828  -4.242  24.648 -3.436 -0.934 
I I DT DA 6   7   1_555 1_555 J J DA DT 141 140 1_555 1_555 1 3.368 40.528 I I 
6   7   -0.834  J J 287 286 3.364 -0.578  -0.016 -0.278 
II_DT6DA7:DT286DA287_JJ     5   0.300  -0.433  40.523 -0.335 0.057  
I I DA DT 7   8   1_555 1_555 J J DT DA 140 139 1_555 1_555 1 3.437 31.163 I I 
7   8   -11.174 J J 286 285 3.331 -5.966  0.186  -0.857 
II_DA7DT8:DA285DT286_JJ     6   1.218  -2.281  30.576 -0.407 -0.105 
I I DT DC 8   9   1_555 1_555 J J DA DG 139 138 1_555 1_555 1 3.469 38.550 I I 
8   9   4.015   J J 285 284 3.531 2.648   0.543  -0.647 
II_DT8DC9:DG284DA285_JJ     7   -0.822 1.246   38.454 -1.332 -0.931 
I I DC DC 9   10  1_555 1_555 J J DG DG 138 137 1_555 1_555 1 3.107 31.521 I I 
9   10  2.911   J J 284 283 3.071 1.573   0.534  -0.140 
II_DC9DC10:DG283DG284_JJ    8   5.282  -9.772  31.047 -0.537 -0.046 
I I DC DA 10  11  1_555 1_555 J J DG DT 137 136 1_555 1_555 1 3.110 34.130 I I 
10  11  23.054  J J 283 282 3.133 13.029  -0.855 0.262  
II_DC10DA11:DT282DG283_JJ   9   -9.299 16.454  30.243 -1.653 -0.042 
I I DA DC 11  12  1_555 1_555 J J DT DG 136 135 1_555 1_555 1 3.284 34.298 I I 
11  12  2.649   J J 282 281 3.333 1.561   -0.170 -1.104 
II_DA11DC12:DG281DT282_JJ   10  -0.578 0.980   34.259 -2.120 0.197  
I I DC DC 12  13  1_555 1_555 J J DG DG 135 134 1_555 1_555 1 3.361 34.694 I I 
12  13  22.224  J J 281 280 3.805 12.939  0.048  -0.470 
II_DC12DC13:DG280DG281_JJ   11  -2.490 4.276   32.166 -3.050 -0.516 
I I DC DT 13  14  1_555 1_555 J J DG DA 134 133 1_555 1_555 1 3.261 34.465 I I 
13  14  22.681  J J 280 279 3.297 13.098  -0.511 0.708  
II_DC13DT14:DA279DG280_JJ   12  3.367  -5.830  31.775 -0.934 1.409  
I I DT DG 14  15  1_555 1_555 J J DA DC 133 132 1_555 1_555 1 2.864 43.231 I I 
14  15  -7.485  J J 279 278 3.204 -5.497  -0.235 2.419  
II_DT14DG15:DC278DA279_JJ   13  3.065  -4.174  42.792 3.785  0.598  
I I DG DC 15  16  1_555 1_555 J J DC DG 132 131 1_555 1_555 1 3.184 34.437 I I 
15  16  -0.211  J J 278 277 3.162 -0.125  -0.430 1.531  
II_DG15DC16:DG277DC278_JJ   14  -3.658 6.190   34.247 2.605  0.172  
I I DC DA 16  17  1_555 1_555 J J DG DT 131 130 1_555 1_555 1 2.445 54.104 I I 
16  17  -16.670 J J 277 276 3.291 -14.983 0.438  2.933  
II_DC16DA17:DT276DG277_JJ   15  3.563  -3.964  52.025 4.051  -0.285 
I I DA DG 17  18  1_555 1_555 J J DT DC 130 129 1_555 1_555 1 3.103 26.971 I I 
17  18  6.343   J J 276 275 3.160 2.952   0.414  -0.156 
II_DA17DG18:DC275DT276_JJ   16  -1.268 2.726   26.783 -1.059 -1.199 
I I DG DA 18  19  1_555 1_555 J J DC DT 129 128 1_555 1_555 1 3.338 40.790 I I 
18  19  1.133   J J 275 274 3.346 0.789   -0.006 -0.342 
II_DG18DA19:DT274DC275_JJ   17  -1.085 1.557   40.769 -0.579 -0.114 
I I DA DT 19  20  1_555 1_555 J J DT DA 128 127 1_555 1_555 1 3.225 33.759 I I 
19  20  -6.596  J J 274 273 3.161 -3.823  -0.132 -0.759 
II_DA19DT20:DA273DT274_JJ   18  0.111  -0.191  33.548 -0.700 0.246  
I I DT DT 20  21  1_555 1_555 J J DA DA 127 126 1_555 1_555 1 3.353 36.416 I I 
20  21  -0.311  J J 273 272 3.367 -0.194  0.040  -0.216 
II_DT20DT21:DA272DA273_JJ   19  4.111  -6.591  36.191 -0.317 0.524  
I I DT DC 21  22  1_555 1_555 J J DA DG 126 125 1_555 1_555 1 3.367 43.276 I I 
21  22  4.640   J J 272 271 3.412 3.410   0.061  -0.024 
II_DT21DC22:DG271DA272_JJ   20  -5.539 7.536   42.808 -0.379 -0.646 
I I DC DT 22  23  1_555 1_555 J J DG DA 125 124 1_555 1_555 1 3.045 29.862 I I 
22  23  17.661  J J 271 270 3.182 8.949   -0.131 0.120  
II_DC22DT23:DA270DG271_JJ   21  3.208  -6.330  28.341 -1.587 0.906  
I I DT DA 23  24  1_555 1_555 J J DA DT 124 123 1_555 1_555 1 3.385 35.774 I I 
23  24  15.048  J J 270 269 3.132 9.146   0.189  1.399  
II_DT23DA24:DT269DA270_JJ   22  1.071  -1.762  34.606 0.941  -0.152 
I I DA DC 24  25  1_555 1_555 J J DT DG 123 122 1_555 1_555 1 3.184 36.877 I I 
24  25  -5.690  J J 269 268 3.235 -3.590  -0.438 0.661  
II_DA24DC25:DG268DT269_JJ   23  -3.196 5.066   36.573 1.524  0.266  
I I DC DC 25  26  1_555 1_555 J J DG DG 122 121 1_555 1_555 1 3.230 36.038 I I 
25  26  4.721   J J 268 267 3.162 2.914   0.609  0.480  
II_DC25DC26:DG267DG268_JJ   24  3.151  -5.105  35.789 0.370  -0.545 
I I DC DA 26  27  1_555 1_555 J J DG DT 121 120 1_555 1_555 1 2.582 49.379 I I 
26  27  -17.863 J J 267 266 3.396 -14.720 0.268  2.433  
II_DC26DA27:DT266DG267_JJ   25  1.710  -2.075  47.236 3.939  -0.202 
I I DA DA 27  28  1_555 1_555 J J DT DT 120 119 1_555 1_555 1 3.343 36.095 I I 
27  28  0.970   J J 266 265 3.342 0.601   0.214  0.576  
II_DA27DA28:DT265DT266_JJ   26  -1.075 1.736   36.075 0.843  -0.501 
I I DA DA 28  29  1_555 1_555 J J DT DT 119 118 1_555 1_555 1 3.439 39.347 I I 
28  29  -4.039  J J 265 264 3.457 -2.718  -0.452 0.253  
II_DA28DA29:DT264DT265_JJ   27  -0.665 0.988   39.252 0.717  0.588  
I I DA DA 29  30  1_555 1_555 J J DT DT 118 117 1_555 1_555 1 3.128 37.961 I I 
29  30  -2.052  J J 264 263 3.121 -1.332  -0.193 -0.124 
II_DA29DA30:DT263DT264_JJ   28  -3.853 5.934   37.749 -0.027 -0.174 
I I DA DG 30  31  1_555 1_555 J J DT DC 117 116 1_555 1_555 1 3.447 33.736 I I 
30  31  16.695  J J 263 262 3.696 9.562   -0.463 -0.424 
II_DA30DG31:DC262DT263_JJ   29  -0.991 1.730   32.376 -2.462 0.618  
I I DG DT 31  32  1_555 1_555 J J DC DA 116 115 1_555 1_555 1 3.089 33.366 I I 
31  32  9.497   J J 262 261 3.196 5.430   0.096  -0.412 
II_DG31DT32:DA261DC262_JJ   30  -0.286 0.500   32.933 -1.589 -0.214 
I I DT DG 32  33  1_555 1_555 J J DA DC 115 114 1_555 1_555 1 3.407 33.597 I I 
32  33  13.705  J J 261 260 3.402 7.846   0.685  0.240  
II_DT32DG33:DC260DA261_JJ   31  2.449  -4.278  32.604 -0.942 -0.761 
I I DG DT 33  34  1_555 1_555 J J DC DA 114 113 1_555 1_555 1 2.839 28.380 I I 
33  34  8.198   J J 260 259 2.925 3.990   -0.057 -0.107 
II_DG33DT34:DA259DC260_JJ   32  4.434  -9.108  27.758 -1.037 1.025  
I I DT DA 34  35  1_555 1_555 J J DA DT 113 112 1_555 1_555 1 3.710 43.604 I I 
34  35  5.853   J J 259 258 3.746 4.341   0.176  -0.126 
II_DT34DA35:DT258DA259_JJ   33  -1.484 2.001   43.374 -0.647 -0.400 
I I DA DT 35  36  1_555 1_555 J J DT DA 112 111 1_555 1_555 1 3.204 35.199 I I 
35  36  -0.471  J J 258 257 3.208 -0.285  -0.105 -0.481 
II_DA35DT36:DA257DT258_JJ   34  1.618  -2.676  35.162 -0.754 0.409  
I I DT DT 36  37  1_555 1_555 J J DA DA 111 110 1_555 1_555 1 3.277 37.486 I I 
36  37  -3.838  J J 257 256 3.274 -2.465  -0.184 -0.171 
II_DT36DT37:DA256DA257_JJ   35  0.146  -0.227  37.408 0.058  0.306  
I I DT DT 37  38  1_555 1_555 J J DA DA 110 109 1_555 1_555 1 3.544 32.933 I I 
37  38  2.449   J J 256 255 3.526 1.386   -0.454 -0.115 
II_DT37DT38:DA255DA256_JJ   36  -2.884 5.095   32.781 -0.459 0.268  
I I DT DG 38  39  1_555 1_555 J J DA DC 109 108 1_555 1_555 1 2.657 46.343 I I 
38  39  -14.340 J J 255 254 3.262 -11.175 0.412  2.100  
II_DT38DG39:DC254DA255_JJ   37  -3.561 4.569   44.914 3.542  -0.801 
I I DG DG 39  40  1_555 1_555 J J DC DC 108 107 1_555 1_555 1 3.213 32.123 I I 
39  40  12.692  J J 254 253 3.132 6.968   0.139  0.703  
II_DG39DG40:DC253DC254_JJ   38  1.485  -2.706  31.343 0.043  0.009  
I I DG DA 40  41  1_555 1_555 J J DC DT 107 106 1_555 1_555 1 3.513 31.924 I I 
40  41  14.524  J J 253 252 3.316 7.834   -1.171 0.479  
II_DG40DA41:DT252DC253_JJ   39  -7.649 14.180  30.034 -0.661 0.632  
I I DA DA 41  42  1_555 1_555 J J DT DT 106 105 1_555 1_555 1 3.628 43.289 I I 
41  42  15.832  J J 252 251 3.605 11.536  0.624  0.399  
II_DA41DA42:DT251DT252_JJ   40  3.914  -5.371  41.619 -0.731 -0.414 
I I DA DA 42  43  1_555 1_555 J J DT DT 105 104 1_555 1_555 1 3.181 31.524 I I 
42  43  28.975  J J 251 250 3.582 15.123  -0.098 0.040  
II_DA42DA43:DT250DT251_JJ   41  -0.585 1.120   27.735 -3.037 0.059  
I I DA DC 43  44  1_555 1_555 J J DT DG 104 103 1_555 1_555 1 2.879 23.667 I I 
43  44  11.697  J J 250 249 3.210 4.761   0.333  -1.167 
II_DA43DC44:DG249DT250_JJ   42  -1.850 4.545   23.117 -4.335 -1.390 
I I DC DT 44  45  1_555 1_555 J J DG DA 103 102 1_555 1_555 1 3.442 31.832 I I 
44  45  15.505  J J 249 248 3.580 8.408   -0.190 -0.066 
II_DC44DT45:DA248DG249_JJ   43  0.041  -0.075  30.729 -1.798 0.354  
I I DT DG 45  46  1_555 1_555 J J DA DC 102 101 1_555 1_555 1 3.143 41.131 I I 
45  46  -3.590  J J 248 247 3.221 -2.519  0.185  1.327  
II_DT45DG46:DC247DA248_JJ   44  2.619  -3.733  40.977 2.155  0.014  
I I DG DC 46  47  1_555 1_555 J J DC DG 101 100 1_555 1_555 1 3.270 37.625 I I 
46  47  -1.851  J J 247 246 3.250 -1.193  -0.407 0.007  
II_DG46DC47:DG246DC247_JJ   45  -2.902 4.504   37.499 0.165  0.254  
I I DC DT 47  48  1_555 1_555 J J DG DA 100 99  1_555 1_555 1 3.012 37.024 I I 
47  48  -21.469 J J 246 245 3.482 -13.331 0.523  0.804  
II_DC47DT48:DA245DG246_JJ   46  3.053  -4.917  34.488 3.113  -0.401 
I I DT DC 48  49  1_555 1_555 J J DA DG 99  98  1_555 1_555 1 2.932 45.402 I I 
48  49  -2.701  J J 245 244 2.886 -2.069  0.714  0.851  
II_DT48DC49:DG244DA245_JJ   47  9.970  -13.017 44.304 1.267  -0.130 
I I DC DC 49  50  1_555 1_555 J J DG DG 98  97  1_555 1_555 1 3.432 29.220 I I 
49  50  17.839  J J 244 243 3.580 8.862   -0.145 0.067  
II_DC49DC50:DG243DG244_JJ   48  0.905  -1.821  27.858 -1.981 0.503  
I I DC DA 50  51  1_555 1_555 J J DG DT 97  96  1_555 1_555 1 3.440 36.360 I I 
50  51  18.787  J J 243 242 3.578 11.511  -0.122 0.141  
II_DC50DA51:DT242DG243_JJ   49  -3.943 6.435   34.329 -1.549 -0.412 
I I DA DT 51  52  1_555 1_555 J J DT DA 96  95  1_555 1_555 1 2.563 28.748 I I 
51  52  14.781  J J 242 241 2.855 7.253   0.096  -0.738 
II_DA51DT52:DA241DT242_JJ   50  -2.631 5.363   27.715 -2.859 -0.692 
I I DT DC 52  53  1_555 1_555 J J DA DG 95  94  1_555 1_555 1 3.033 33.260 I I 
52  53  13.171  J J 241 240 3.269 7.466   -0.069 -0.611 
II_DT52DC53:DG240DA241_JJ   51  3.344  -5.900  32.266 -2.288 0.667  
I I DC DA 53  54  1_555 1_555 J J DG DT 94  93  1_555 1_555 1 2.972 32.380 I I 
53  54  34.789  J J 240 239 3.830 18.288  -0.140 -0.346 
II_DC53DA54:DT239DG240_JJ   52  2.445  -4.651  26.725 -4.319 0.745  
I I DA DA 54  55  1_555 1_555 J J DT DT 93  92  1_555 1_555 1 3.252 30.123 I I 
54  55  9.703   J J 239 238 3.194 5.010   -0.703 0.259  
II_DA54DA55:DT238DT239_JJ   53  -3.425 6.634   29.520 -0.520 0.657  
I I DA DA 55  56  1_555 1_555 J J DT DT 92  91  1_555 1_555 1 3.044 35.320 I I 
55  56  7.593   J J 238 237 3.032 4.593   0.256  0.213  
II_DA55DA56:DT237DT238_JJ   54  1.770  -2.926  34.986 -0.283 -0.179 
I I DA DA 56  57  1_555 1_555 J J DT DT 91  90  1_555 1_555 1 3.175 42.295 I I 
56  57  -12.125 J J 237 236 3.369 -8.683  -0.561 0.825  
II_DA56DA57:DT236DT237_JJ   55  -3.486 4.868   41.293 2.044  0.416  
I I DA DG 57  58  1_555 1_555 J J DT DC 90  89  1_555 1_555 1 3.291 37.588 I I 
57  58  -10.574 J J 236 235 3.510 -6.778  0.857  1.059  
II_DA57DG58:DC235DT236_JJ   56  0.887  -1.384  36.983 2.569  -1.209 
I I DG DG 58  59  1_555 1_555 J J DC DC 89  88  1_555 1_555 1 3.608 44.095 I I 
58  59  -8.846  J J 235 234 3.788 -6.619  0.129  0.982  
II_DG58DG59:DC234DC235_JJ   57  -0.342 0.457   43.619 2.015  -0.208 
I I DG DC 59  60  1_555 1_555 J J DC DG 88  87  1_555 1_555 1 3.215 36.033 I I 
59  60  -9.051  J J 234 233 3.306 -5.574  0.052  0.336  
II_DG59DC60:DG233DC234_JJ   58  2.228  -3.618  35.545 1.338  0.233  
I I DC DA 60  61  1_555 1_555 J J DG DT 87  86  1_555 1_555 1 3.731 37.290 I I 
60  61  16.062  J J 233 232 3.676 10.145  -0.258 0.672  
II_DC60DA61:DT232DG233_JJ   59  -2.059 3.261   35.874 -0.501 0.089  
I I DA DT 61  62  1_555 1_555 J J DT DA 86  85  1_555 1_555 1 3.004 32.310 I I 
61  62  1.844   J J 232 231 3.032 1.025   0.037  -0.347 
II_DA61DT62:DA231DT232_JJ   60  -3.010 5.417   32.157 -0.792 -0.559 
I I DT DG 62  63  1_555 1_555 J J DA DC 85  84  1_555 1_555 1 3.723 36.237 I I 
62  63  18.698  J J 231 230 3.637 11.428  0.480  0.762  
II_DT62DG63:DC230DA231_JJ   61  3.255  -5.325  34.295 -0.632 -0.243 
I I DG DT 63  64  1_555 1_555 J J DC DA 84  83  1_555 1_555 1 2.821 33.137 I I 
63  64  18.198  J J 230 229 2.998 10.217  -0.509 -0.168 
II_DG63DT64:DA229DC230_JJ   62  -0.836 1.489   31.553 -1.864 0.764  
I I DT DT 64  65  1_555 1_555 J J DA DA 83  82  1_555 1_555 1 3.281 32.253 I I 
64  65  4.821   J J 229 228 3.297 2.675   0.193  -0.012 
II_DT64DT65:DA228DA229_JJ   63  -0.537 0.967   32.140 -0.501 -0.444 
I I DT DC 65  66  1_555 1_555 J J DA DG 82  81  1_555 1_555 1 3.301 36.587 I I 
65  66  7.362   J J 228 227 3.268 4.605   0.618  0.155  
II_DT65DC66:DG227DA228_JJ   64  2.941  -4.701  36.190 -0.393 -0.577 
I I DC DA 66  67  1_555 1_555 J J DG DT 81  80  1_555 1_555 1 3.740 40.794 I I 
66  67  0.253   J J 227 226 3.697 0.176   -1.237 1.164  
II_DC66DA67:DT226DG227_JJ   65  -1.377 1.975   40.771 1.647  1.603  
I I DA DG 67  68  1_555 1_555 J J DT DC 80  79  1_555 1_555 1 2.962 35.923 I I 
67  68  -10.477 J J 226 225 3.181 -6.426  1.297  0.566  
II_DA67DG68:DC225DT226_JJ   66  -1.950 3.179   35.310 1.787  -2.366 
I I DG DC 68  69  1_555 1_555 J J DC DG 79  78  1_555 1_555 1 3.689 40.295 I I 
68  69  -6.755  J J 225 224 3.723 -4.638  -1.259 0.995  
II_DG68DC69:DG224DC225_JJ   67  -3.815 5.557   39.863 2.042  1.337  
I I DC DT 69  70  1_555 1_555 J J DG DA 78  77  1_555 1_555 1 3.097 42.088 I I 
69  70  -11.549 J J 224 223 3.390 -8.228  0.419  1.382  
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70  71  17.341  J J 223 222 3.151 9.006   0.329  1.001  
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76  77  0.102   J J 217 216 3.390 0.075   -0.462 1.568  
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78  79  -8.840  J J 215 214 3.404 -5.797  -1.028 1.116  
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79  80  -3.900  J J 214 213 3.506 -2.879  1.166  1.528  
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80  81  11.730  J J 213 212 3.295 7.756   -0.297 0.958  
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I I DG DA 81  82  1_555 1_555 J J DC DT 66  65  1_555 1_555 1 3.258 33.044 I I 
81  82  8.618   J J 212 211 3.226 4.880   -0.494 0.260  
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82  83  21.857  J J 211 210 3.495 12.834  0.391  0.173  
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84  85  20.721  J J 209 208 3.614 12.311  -0.255 0.782  
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86  87  8.190   J J 207 206 3.391 5.075   1.017  0.768  
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87  88  -10.319 J J 206 205 3.654 -7.133  -1.111 0.668  
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I I DC DC 88  89  1_555 1_555 J J DG DG 59  58  1_555 1_555 1 3.443 44.796 I I 
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93  94  34.420  J J 200 199 3.560 17.955  -0.075 -0.489 
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I I DG DA 94  95  1_555 1_555 J J DC DT 53  52  1_555 1_555 1 3.284 39.409 I I 
94  95  6.485   J J 199 198 3.304 4.356   -0.389 -0.228 
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I I DT DG 96  97  1_555 1_555 J J DA DC 51  50  1_555 1_555 1 3.433 38.508 I I 
96  97  14.954  J J 197 196 3.307 9.762   0.152  0.914  
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I I DG DG 97  98  1_555 1_555 J J DC DC 50  49  1_555 1_555 1 3.368 33.791 I I 
97  98  1.406   J J 196 195 3.347 0.817   0.406  0.387  
II_DG97DG98:DC195DC196_JJ   96  1.279  -2.202  33.757 0.531  -0.486 
I I DG DA 98  99  1_555 1_555 J J DC DT 49  48  1_555 1_555 1 3.372 45.372 I I 
98  99  -6.027  J J 195 194 3.401 -4.632  -1.090 1.167  
II_DG98DA99:DT194DC195_JJ   97  -5.316 6.916   44.849 1.940  0.922  
I I DA DG 99  100 1_555 1_555 J J DT DC 48  47  1_555 1_555 1 3.118 32.377 I I 
99  100 -10.907 J J 194 193 3.213 -6.047  0.767  0.187  
II_DA99DG100:DC193DT194_JJ  98  -0.340 0.613   31.820 1.378  -1.434 
I I DG DC 100 101 1_555 1_555 J J DC DG 47  46  1_555 1_555 1 3.119 40.358 I I 
100 101 -2.591  J J 193 192 3.123 -1.787  -0.386 0.374  
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I I DC DA 101 102 1_555 1_555 J J DG DT 46  45  1_555 1_555 1 3.405 31.537 I I 
101 102 6.283   J J 192 191 3.348 3.408   0.432  0.752  
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102 103 11.278  J J 191 190 3.718 7.179   -0.631 -0.455 
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I I DG DT 103 104 1_555 1_555 J J DC DA 44  43  1_555 1_555 1 3.104 33.046 I I 
103 104 17.699  J J 190 189 3.380 9.917   -0.025 -0.422 
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106 107 -1.544  J J 187 186 3.221 -1.116  0.923  0.882  
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107 108 6.312   J J 186 185 3.325 3.540   -0.924 0.944  
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108 109 -17.534 J J 185 184 3.313 -14.758 0.391  2.877  
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109 110 6.572   J J 184 183 3.332 3.859   0.153  0.325  
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110 111 -5.965  J J 183 182 3.411 -3.764  -0.160 -0.084 
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I I DA DT 111 112 1_555 1_555 J J DT DA 36  35  1_555 1_555 1 3.056 33.188 I I 
111 112 6.068   J J 182 181 3.126 3.459   -0.432 -0.686 
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112 113 9.311   J J 181 180 3.493 5.878   -0.138 -0.535 
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I I DA DC 113 114 1_555 1_555 J J DT DG 34  33  1_555 1_555 1 2.978 26.940 I I 
113 114 11.614  J J 180 179 3.157 5.370   -0.199 -0.482 
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114 115 13.926  J J 179 178 3.510 8.951   -0.170 0.754  
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115 116 7.756   J J 178 177 2.983 4.040   0.283  -0.404 
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I I DC DT 116 117 1_555 1_555 J J DG DA 31  30  1_555 1_555 1 3.769 36.706 I I 
116 117 3.406   J J 177 176 3.774 2.143   -0.450 -0.302 
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118 119 -4.291  J J 175 174 3.308 -2.907  -0.008 0.032  
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119 120 -13.478 J J 174 173 3.348 -8.162  -0.232 0.103  
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120 121 -5.536  J J 173 172 3.387 -3.793  0.420  1.812  
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I I DG DG 121 122 1_555 1_555 J J DC DC 26  25  1_555 1_555 1 3.327 37.044 I I 
121 122 12.031  J J 172 171 3.240 7.574   -0.714 0.448  
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123 124 17.801  J J 170 169 3.153 10.013  -0.064 1.134  
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124 125 13.345  J J 169 168 3.383 8.190   -0.458 -0.017 
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I I DG DA 125 126 1_555 1_555 J J DC DT 22  21  1_555 1_555 1 3.438 41.237 I I 
125 126 0.509   J J 168 167 3.460 0.359   -0.288 -0.268 
II_DG125DA126:DT167DC168_JJ 124 2.236  -3.176  41.178 -0.421 0.663  
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126 127 -0.365  J J 167 166 3.202 -0.232  0.040  0.051  
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I I DA DT 127 128 1_555 1_555 J J DT DA 20  19  1_555 1_555 1 3.368 36.684 I I 
127 128 -5.527  J J 166 165 3.351 -3.474  -0.103 -0.365 
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I I DT DC 128 129 1_555 1_555 J J DA DG 19  18  1_555 1_555 1 3.542 44.347 I I 
128 129 -0.266  J J 165 164 3.514 -0.201  0.864  1.062  
II_DT128DC129:DG164DA165_JJ 127 1.886  -2.499  44.309 1.427  -0.956 
I I DC DT 129 130 1_555 1_555 J J DG DA 18  17  1_555 1_555 1 3.078 31.222 I I 
129 130 -12.742 J J 164 163 3.198 -6.804  -1.711 0.517  
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I I DT DG 130 131 1_555 1_555 J J DA DC 17  16  1_555 1_555 1 3.531 43.047 I I 
130 131 -2.657  J J 163 162 3.598 -1.949  0.713  2.039  
II_DT130DG131:DC162DA163_JJ 129 1.733  -2.363  42.972 2.989  -0.785 
I I DG DC 131 132 1_555 1_555 J J DC DG 16  15  1_555 1_555 1 2.610 35.544 I I 
131 132 3.830   J J 162 161 2.554 2.329   -0.318 0.658  
II_DG131DC132:DG161DC162_JJ 130 -5.050 8.305   35.121 0.807  -0.064 
I I DC DA 132 133 1_555 1_555 J J DG DT 15  14  1_555 1_555 1 3.547 40.504 I I 
132 133 8.367   J J 161 160 3.353 5.763   -0.455 1.436  
II_DC132DA133:DT160DG161_JJ 131 -4.606 6.688   39.854 1.388  0.109  
I I DA DG 133 134 1_555 1_555 J J DT DC 14  13  1_555 1_555 1 3.138 29.260 I I 
133 134 27.312  J J 160 159 3.334 13.308  0.665  0.312  
II_DA133DG134:DC159DT160_JJ 132 0.769  -1.578  26.106 -2.406 -1.142 
I I DG DG 134 135 1_555 1_555 J J DC DC 13  12  1_555 1_555 1 3.023 34.143 I I 
134 135 24.017  J J 159 158 3.569 13.718  -0.056 -0.646 
II_DG134DG135:DC158DC159_JJ 133 1.779  -3.114  31.292 -3.392 0.393  
I I DG DT 135 136 1_555 1_555 J J DC DA 12  11  1_555 1_555 1 3.395 33.649 I I 
135 136 -0.730  J J 158 157 3.387 -0.421  -0.218 -0.738 
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I I DT DG 136 137 1_555 1_555 J J DA DC 11  10  1_555 1_555 1 3.330 35.619 I I 
136 137 11.786  J J 157 156 3.240 7.115   0.430  0.679  
II_DT136DG137:DC156DA157_JJ 135 7.257  -12.020 34.183 0.049  0.379  
I I DG DG 137 138 1_555 1_555 J J DC DC 10  9   1_555 1_555 1 3.403 36.891 I I 
137 138 -2.549  J J 156 155 3.428 -1.606  -0.235 0.331  
II_DG137DG138:DC155DC156_JJ 136 -6.216 9.869   36.348 0.752  -0.514 
I I DG DA 138 139 1_555 1_555 J J DC DT 9   8   1_555 1_555 1 3.462 43.029 I I 
138 139 -7.099  J J 155 154 3.444 -5.196  -0.265 -0.379 
II_DG138DA139:DT154DC155_JJ 137 0.570  -0.778  42.726 0.026  0.420  
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139 140 -5.375  J J 154 153 3.352 -2.898  0.058  -0.462 
II_DA139DT140:DA153DT154_JJ 138 1.204  -2.233  31.169 -0.292 0.127  
I I DT DA 140 141 1_555 1_555 J J DA DT 7   6   1_555 1_555 1 3.427 43.190 I I 
140 141 4.542   J J 153 152 3.428 3.336   0.259  -0.018 
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I I DA DT 141 142 1_555 1_555 J J DT DA 6   5   1_555 1_555 1 2.990 28.923 I I 
141 142 4.000   J J 152 151 2.993 1.994   -0.387 -0.287 
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I I DT DT 142 143 1_555 1_555 J J DA DA 5   4   1_555 1_555 1 3.155 32.861 I I 
142 143 0.755   J J 151 150 3.170 0.426   0.121  -0.416 
II_DT142DT143:DA150DA151_JJ 141 4.235  -7.507  32.591 -0.806 0.489  
I I DT DG 143 144 1_555 1_555 J J DA DC 4   3   1_555 1_555 1 3.729 32.557 I I 
143 144 15.169  J J 150 149 3.654 8.412   1.459  0.821  
II_DT143DG144:DC149DA150_JJ 142 -0.315 0.568   31.478 -0.222 -2.666 
I I DG DA 144 145 1_555 1_555 J J DC DT 3   2   1_555 1_555 1 2.982 33.841 I I 
144 145 11.469  J J 149 148 3.177 6.627   -0.258 -0.771 
II_DG144DA145:DT148DC149_JJ 143 -2.978 5.154   33.074 -2.343 -0.014 
I I DA DT 145 146 1_555 1_555 J J DT DA 2   1   1_555 1_555 1 2.810 36.160 I I 
145 146 11.576  J J 148 147 3.215 7.111   0.906  -0.850 
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# 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
# 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2017-02-15 
# 
_pdbx_database_related.content_type   unspecified 
_pdbx_database_related.db_id          5B1M 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        ? 
# 
_pdbx_database_status.entry_id                        5B1L 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.recvd_initial_deposition_date   2015-12-08 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.validation_created_date         2018-03-09 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.comp_id 
_pdbx_entity_nonpoly.name 
6 CL  'CHLORIDE ION'       
7 MN  'MANGANESE (II) ION' 
8 HOH water                
# 
_pdbx_entry_details.entry_id           5B1L 
_pdbx_entry_details.sequence_details   
;THE SEQUENCE OF HISTONE H3T HAS BEEN REGISTERED IN GENBANK WITH ACCESSION ID EDL07696.1.
;
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.pdb_strand_id 
K  1  CL  301 6 CL  ? CL  301 A 
L  1  CL  301 6 CL  ? CL  301 C 
M  1  MN  301 7 MN  ? MN  301 D 
N  1  CL  301 6 CL  ? CL  301 E 
O  1  CL  301 6 CL  ? CL  301 G 
P  1  MN  301 7 MN  ? MN  301 I 
Q  1  MN  302 7 MN  ? MN  302 I 
R  1  MN  303 7 MN  ? MN  303 I 
S  1  MN  304 7 MN  ? MN  304 I 
T  1  MN  305 7 MN  ? MN  305 I 
U  1  MN  306 7 MN  ? MN  306 I 
V  1  MN  401 7 MN  ? MN  401 J 
W  1  MN  402 7 MN  ? MN  402 J 
X  1  MN  403 7 MN  ? MN  403 J 
Y  1  MN  404 7 MN  ? MN  404 J 
Z  1  MN  405 7 MN  ? MN  405 J 
AA 1  MN  406 7 MN  ? MN  406 J 
BA 1  HOH 219 8 HOH ? HOH 401 A 
BA 2  HOH 206 8 HOH ? HOH 402 A 
BA 3  HOH 216 8 HOH ? HOH 403 A 
BA 4  HOH 201 8 HOH ? HOH 404 A 
BA 5  HOH 208 8 HOH ? HOH 405 A 
BA 6  HOH 203 8 HOH ? HOH 406 A 
BA 7  HOH 207 8 HOH ? HOH 407 A 
BA 8  HOH 214 8 HOH ? HOH 408 A 
BA 9  HOH 218 8 HOH ? HOH 409 A 
BA 10 HOH 202 8 HOH ? HOH 410 A 
BA 11 HOH 213 8 HOH ? HOH 411 A 
BA 12 HOH 211 8 HOH ? HOH 412 A 
BA 13 HOH 215 8 HOH ? HOH 413 A 
BA 14 HOH 209 8 HOH ? HOH 414 A 
BA 15 HOH 204 8 HOH ? HOH 415 A 
BA 16 HOH 210 8 HOH ? HOH 416 A 
BA 17 HOH 205 8 HOH ? HOH 417 A 
BA 18 HOH 217 8 HOH ? HOH 418 A 
BA 19 HOH 212 8 HOH ? HOH 419 A 
BA 20 HOH 220 8 HOH ? HOH 420 A 
CA 1  HOH 203 8 HOH ? HOH 201 B 
CA 2  HOH 209 8 HOH ? HOH 202 B 
CA 3  HOH 206 8 HOH ? HOH 203 B 
CA 4  HOH 204 8 HOH ? HOH 204 B 
CA 5  HOH 208 8 HOH ? HOH 205 B 
CA 6  HOH 205 8 HOH ? HOH 206 B 
CA 7  HOH 202 8 HOH ? HOH 207 B 
CA 8  HOH 201 8 HOH ? HOH 208 B 
CA 9  HOH 207 8 HOH ? HOH 209 B 
CA 10 HOH 210 8 HOH ? HOH 210 B 
CA 11 HOH 211 8 HOH ? HOH 211 B 
DA 1  HOH 221 8 HOH ? HOH 401 C 
DA 2  HOH 208 8 HOH ? HOH 402 C 
DA 3  HOH 210 8 HOH ? HOH 403 C 
DA 4  HOH 211 8 HOH ? HOH 404 C 
DA 5  HOH 218 8 HOH ? HOH 405 C 
DA 6  HOH 219 8 HOH ? HOH 406 C 
DA 7  HOH 215 8 HOH ? HOH 407 C 
DA 8  HOH 217 8 HOH ? HOH 408 C 
DA 9  HOH 214 8 HOH ? HOH 409 C 
DA 10 HOH 216 8 HOH ? HOH 410 C 
DA 11 HOH 213 8 HOH ? HOH 411 C 
DA 12 HOH 214 8 HOH ? HOH 412 C 
DA 13 HOH 202 8 HOH ? HOH 413 C 
DA 14 HOH 203 8 HOH ? HOH 414 C 
DA 15 HOH 204 8 HOH ? HOH 415 C 
DA 16 HOH 201 8 HOH ? HOH 416 C 
DA 17 HOH 209 8 HOH ? HOH 417 C 
DA 18 HOH 205 8 HOH ? HOH 418 C 
DA 19 HOH 206 8 HOH ? HOH 419 C 
DA 20 HOH 212 8 HOH ? HOH 420 C 
DA 21 HOH 207 8 HOH ? HOH 421 C 
DA 22 HOH 220 8 HOH ? HOH 422 C 
EA 1  HOH 211 8 HOH ? HOH 401 D 
EA 2  HOH 215 8 HOH ? HOH 402 D 
EA 3  HOH 202 8 HOH ? HOH 403 D 
EA 4  HOH 209 8 HOH ? HOH 404 D 
EA 5  HOH 203 8 HOH ? HOH 405 D 
EA 6  HOH 201 8 HOH ? HOH 406 D 
EA 7  HOH 204 8 HOH ? HOH 407 D 
EA 8  HOH 206 8 HOH ? HOH 408 D 
EA 9  HOH 216 8 HOH ? HOH 409 D 
EA 10 HOH 205 8 HOH ? HOH 410 D 
EA 11 HOH 218 8 HOH ? HOH 411 D 
EA 12 HOH 210 8 HOH ? HOH 412 D 
EA 13 HOH 208 8 HOH ? HOH 413 D 
EA 14 HOH 207 8 HOH ? HOH 414 D 
EA 15 HOH 212 8 HOH ? HOH 415 D 
EA 16 HOH 213 8 HOH ? HOH 416 D 
FA 1  HOH 208 8 HOH ? HOH 401 E 
FA 2  HOH 210 8 HOH ? HOH 402 E 
FA 3  HOH 211 8 HOH ? HOH 403 E 
FA 4  HOH 201 8 HOH ? HOH 404 E 
FA 5  HOH 216 8 HOH ? HOH 405 E 
FA 6  HOH 223 8 HOH ? HOH 406 E 
FA 7  HOH 206 8 HOH ? HOH 407 E 
FA 8  HOH 204 8 HOH ? HOH 408 E 
FA 9  HOH 225 8 HOH ? HOH 409 E 
FA 10 HOH 203 8 HOH ? HOH 410 E 
FA 11 HOH 218 8 HOH ? HOH 411 E 
FA 12 HOH 217 8 HOH ? HOH 412 E 
FA 13 HOH 214 8 HOH ? HOH 413 E 
FA 14 HOH 221 8 HOH ? HOH 414 E 
FA 15 HOH 228 8 HOH ? HOH 415 E 
FA 16 HOH 226 8 HOH ? HOH 416 E 
FA 17 HOH 209 8 HOH ? HOH 417 E 
FA 18 HOH 202 8 HOH ? HOH 418 E 
FA 19 HOH 220 8 HOH ? HOH 419 E 
FA 20 HOH 227 8 HOH ? HOH 420 E 
FA 21 HOH 213 8 HOH ? HOH 421 E 
FA 22 HOH 224 8 HOH ? HOH 422 E 
FA 23 HOH 222 8 HOH ? HOH 423 E 
FA 24 HOH 207 8 HOH ? HOH 424 E 
FA 25 HOH 229 8 HOH ? HOH 425 E 
FA 26 HOH 215 8 HOH ? HOH 426 E 
FA 27 HOH 205 8 HOH ? HOH 427 E 
FA 28 HOH 212 8 HOH ? HOH 428 E 
FA 29 HOH 219 8 HOH ? HOH 429 E 
FA 30 HOH 217 8 HOH ? HOH 430 E 
GA 1  HOH 202 8 HOH ? HOH 201 F 
GA 2  HOH 208 8 HOH ? HOH 202 F 
GA 3  HOH 221 8 HOH ? HOH 203 F 
GA 4  HOH 211 8 HOH ? HOH 204 F 
GA 5  HOH 201 8 HOH ? HOH 205 F 
GA 6  HOH 219 8 HOH ? HOH 206 F 
GA 7  HOH 206 8 HOH ? HOH 207 F 
GA 8  HOH 205 8 HOH ? HOH 208 F 
GA 9  HOH 215 8 HOH ? HOH 209 F 
GA 10 HOH 212 8 HOH ? HOH 210 F 
GA 11 HOH 204 8 HOH ? HOH 211 F 
GA 12 HOH 214 8 HOH ? HOH 212 F 
GA 13 HOH 207 8 HOH ? HOH 213 F 
GA 14 HOH 203 8 HOH ? HOH 214 F 
GA 15 HOH 218 8 HOH ? HOH 215 F 
GA 16 HOH 213 8 HOH ? HOH 216 F 
GA 17 HOH 216 8 HOH ? HOH 217 F 
GA 18 HOH 210 8 HOH ? HOH 218 F 
GA 19 HOH 209 8 HOH ? HOH 219 F 
GA 20 HOH 217 8 HOH ? HOH 220 F 
GA 21 HOH 220 8 HOH ? HOH 221 F 
HA 1  HOH 204 8 HOH ? HOH 401 G 
HA 2  HOH 201 8 HOH ? HOH 402 G 
HA 3  HOH 211 8 HOH ? HOH 403 G 
HA 4  HOH 205 8 HOH ? HOH 404 G 
HA 5  HOH 208 8 HOH ? HOH 405 G 
HA 6  HOH 203 8 HOH ? HOH 406 G 
HA 7  HOH 207 8 HOH ? HOH 407 G 
HA 8  HOH 212 8 HOH ? HOH 408 G 
HA 9  HOH 210 8 HOH ? HOH 409 G 
HA 10 HOH 209 8 HOH ? HOH 410 G 
HA 11 HOH 202 8 HOH ? HOH 411 G 
HA 12 HOH 206 8 HOH ? HOH 412 G 
IA 1  HOH 202 8 HOH ? HOH 201 H 
IA 2  HOH 201 8 HOH ? HOH 202 H 
IA 3  HOH 204 8 HOH ? HOH 203 H 
IA 4  HOH 206 8 HOH ? HOH 204 H 
IA 5  HOH 203 8 HOH ? HOH 205 H 
IA 6  HOH 205 8 HOH ? HOH 206 H 
IA 7  HOH 207 8 HOH ? HOH 207 H 
JA 1  HOH 242 8 HOH ? HOH 401 I 
JA 2  HOH 201 8 HOH ? HOH 402 I 
JA 3  HOH 243 8 HOH ? HOH 403 I 
JA 4  HOH 209 8 HOH ? HOH 404 I 
JA 5  HOH 224 8 HOH ? HOH 405 I 
JA 6  HOH 222 8 HOH ? HOH 406 I 
JA 7  HOH 202 8 HOH ? HOH 407 I 
JA 8  HOH 228 8 HOH ? HOH 408 I 
JA 9  HOH 245 8 HOH ? HOH 409 I 
JA 10 HOH 206 8 HOH ? HOH 410 I 
JA 11 HOH 217 8 HOH ? HOH 411 I 
JA 12 HOH 227 8 HOH ? HOH 412 I 
JA 13 HOH 205 8 HOH ? HOH 413 I 
JA 14 HOH 231 8 HOH ? HOH 414 I 
JA 15 HOH 218 8 HOH ? HOH 415 I 
JA 16 HOH 221 8 HOH ? HOH 416 I 
JA 17 HOH 211 8 HOH ? HOH 417 I 
JA 18 HOH 236 8 HOH ? HOH 418 I 
JA 19 HOH 232 8 HOH ? HOH 419 I 
JA 20 HOH 240 8 HOH ? HOH 420 I 
JA 21 HOH 216 8 HOH ? HOH 421 I 
JA 22 HOH 230 8 HOH ? HOH 422 I 
JA 23 HOH 212 8 HOH ? HOH 423 I 
JA 24 HOH 233 8 HOH ? HOH 424 I 
JA 25 HOH 210 8 HOH ? HOH 425 I 
JA 26 HOH 235 8 HOH ? HOH 426 I 
JA 27 HOH 213 8 HOH ? HOH 427 I 
JA 28 HOH 208 8 HOH ? HOH 428 I 
JA 29 HOH 204 8 HOH ? HOH 429 I 
JA 30 HOH 214 8 HOH ? HOH 430 I 
JA 31 HOH 219 8 HOH ? HOH 431 I 
JA 32 HOH 239 8 HOH ? HOH 432 I 
JA 33 HOH 229 8 HOH ? HOH 433 I 
JA 34 HOH 234 8 HOH ? HOH 434 I 
JA 35 HOH 237 8 HOH ? HOH 435 I 
JA 36 HOH 215 8 HOH ? HOH 436 I 
JA 37 HOH 207 8 HOH ? HOH 437 I 
JA 38 HOH 241 8 HOH ? HOH 438 I 
JA 39 HOH 225 8 HOH ? HOH 439 I 
JA 40 HOH 203 8 HOH ? HOH 440 I 
JA 41 HOH 226 8 HOH ? HOH 441 I 
KA 1  HOH 304 8 HOH ? HOH 501 J 
KA 2  HOH 318 8 HOH ? HOH 502 J 
KA 3  HOH 310 8 HOH ? HOH 503 J 
KA 4  HOH 308 8 HOH ? HOH 504 J 
KA 5  HOH 334 8 HOH ? HOH 505 J 
KA 6  HOH 330 8 HOH ? HOH 506 J 
KA 7  HOH 323 8 HOH ? HOH 507 J 
KA 8  HOH 329 8 HOH ? HOH 508 J 
KA 9  HOH 307 8 HOH ? HOH 509 J 
KA 10 HOH 313 8 HOH ? HOH 510 J 
KA 11 HOH 220 8 HOH ? HOH 511 J 
KA 12 HOH 311 8 HOH ? HOH 512 J 
KA 13 HOH 312 8 HOH ? HOH 513 J 
KA 14 HOH 325 8 HOH ? HOH 514 J 
KA 15 HOH 303 8 HOH ? HOH 515 J 
KA 16 HOH 301 8 HOH ? HOH 516 J 
KA 17 HOH 244 8 HOH ? HOH 517 J 
KA 18 HOH 302 8 HOH ? HOH 518 J 
KA 19 HOH 339 8 HOH ? HOH 519 J 
KA 20 HOH 321 8 HOH ? HOH 520 J 
KA 21 HOH 314 8 HOH ? HOH 521 J 
KA 22 HOH 336 8 HOH ? HOH 522 J 
KA 23 HOH 315 8 HOH ? HOH 523 J 
KA 24 HOH 316 8 HOH ? HOH 524 J 
KA 25 HOH 305 8 HOH ? HOH 525 J 
KA 26 HOH 327 8 HOH ? HOH 526 J 
KA 27 HOH 306 8 HOH ? HOH 527 J 
KA 28 HOH 326 8 HOH ? HOH 528 J 
KA 29 HOH 309 8 HOH ? HOH 529 J 
KA 30 HOH 337 8 HOH ? HOH 530 J 
KA 31 HOH 338 8 HOH ? HOH 531 J 
KA 32 HOH 332 8 HOH ? HOH 532 J 
KA 33 HOH 317 8 HOH ? HOH 533 J 
KA 34 HOH 324 8 HOH ? HOH 534 J 
KA 35 HOH 320 8 HOH ? HOH 535 J 
KA 36 HOH 319 8 HOH ? HOH 536 J 
KA 37 HOH 335 8 HOH ? HOH 537 J 
KA 38 HOH 223 8 HOH ? HOH 538 J 
KA 39 HOH 328 8 HOH ? HOH 539 J 
KA 40 HOH 238 8 HOH ? HOH 540 J 
KA 41 HOH 341 8 HOH ? HOH 541 J 
KA 42 HOH 331 8 HOH ? HOH 542 J 
KA 43 HOH 322 8 HOH ? HOH 543 J 
KA 44 HOH 340 8 HOH ? HOH 544 J 
KA 45 HOH 333 8 HOH ? HOH 545 J 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.hetero 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
A 1 GLY 1   n 1   ? -3  A ?   ?   ?   
A 1 SER 2   n 2   ? -2  A ?   ?   ?   
A 1 HIS 3   n 3   ? -1  A ?   ?   ?   
A 1 MET 4   n 4   ? 0   A ?   ?   ?   
A 1 ALA 5   n 5   ? 1   A ?   ?   ?   
A 1 ARG 6   n 6   ? 2   A ?   ?   ?   
A 1 THR 7   n 7   ? 3   A ?   ?   ?   
A 1 LYS 8   n 8   ? 4   A ?   ?   ?   
A 1 GLN 9   n 9   ? 5   A ?   ?   ?   
A 1 THR 10  n 10  ? 6   A ?   ?   ?   
A 1 ALA 11  n 11  ? 7   A ?   ?   ?   
A 1 ARG 12  n 12  ? 8   A ?   ?   ?   
A 1 LYS 13  n 13  ? 9   A ?   ?   ?   
A 1 SER 14  n 14  ? 10  A ?   ?   ?   
A 1 THR 15  n 15  ? 11  A ?   ?   ?   
A 1 GLY 16  n 16  ? 12  A ?   ?   ?   
A 1 GLY 17  n 17  ? 13  A ?   ?   ?   
A 1 LYS 18  n 18  ? 14  A ?   ?   ?   
A 1 ALA 19  n 19  ? 15  A ?   ?   ?   
A 1 PRO 20  n 20  ? 16  A ?   ?   ?   
A 1 ARG 21  n 21  ? 17  A ?   ?   ?   
A 1 LYS 22  n 22  ? 18  A ?   ?   ?   
A 1 GLN 23  n 23  ? 19  A ?   ?   ?   
A 1 LEU 24  n 24  ? 20  A ?   ?   ?   
A 1 ALA 25  n 25  ? 21  A ?   ?   ?   
A 1 THR 26  n 26  ? 22  A ?   ?   ?   
A 1 LYS 27  n 27  ? 23  A ?   ?   ?   
A 1 VAL 28  n 28  ? 24  A ?   ?   ?   
A 1 ALA 29  n 29  ? 25  A ?   ?   ?   
A 1 ARG 30  n 30  ? 26  A ?   ?   ?   
A 1 LYS 31  n 31  ? 27  A ?   ?   ?   
A 1 SER 32  n 32  ? 28  A ?   ?   ?   
A 1 ALA 33  n 33  ? 29  A ?   ?   ?   
A 1 PRO 34  n 34  ? 30  A ?   ?   ?   
A 1 ALA 35  n 35  ? 31  A ?   ?   ?   
A 1 THR 36  n 36  ? 32  A ?   ?   ?   
A 1 GLY 37  n 37  ? 33  A ?   ?   ?   
A 1 GLY 38  n 38  ? 34  A ?   ?   ?   
A 1 VAL 39  n 39  ? 35  A ?   ?   ?   
A 1 LYS 40  n 40  ? 36  A ?   ?   ?   
A 1 LYS 41  n 41  ? 37  A ?   ?   ?   
A 1 PRO 42  n 42  ? 38  A PRO 38  PRO 
A 1 HIS 43  n 43  ? 39  A HIS 39  HIS 
A 1 ARG 44  n 44  ? 40  A ARG 40  ARG 
A 1 TYR 45  n 45  ? 41  A TYR 41  TYR 
A 1 HIS 46  n 46  ? 42  A HIS 42  HIS 
A 1 PRO 47  n 47  ? 43  A PRO 43  PRO 
A 1 GLY 48  n 48  ? 44  A GLY 44  GLY 
A 1 THR 49  n 49  ? 45  A THR 45  THR 
A 1 VAL 50  n 50  ? 46  A VAL 46  VAL 
A 1 ALA 51  n 51  ? 47  A ALA 47  ALA 
A 1 LEU 52  n 52  ? 48  A LEU 48  LEU 
A 1 ARG 53  n 53  ? 49  A ARG 49  ARG 
A 1 GLU 54  n 54  ? 50  A GLU 50  GLU 
A 1 ILE 55  n 55  ? 51  A ILE 51  ILE 
A 1 ARG 56  n 56  ? 52  A ARG 52  ARG 
A 1 ARG 57  n 57  ? 53  A ARG 53  ARG 
A 1 TYR 58  n 58  ? 54  A TYR 54  TYR 
A 1 GLN 59  n 59  ? 55  A GLN 55  GLN 
A 1 LYS 60  n 60  ? 56  A LYS 56  LYS 
A 1 SER 61  n 61  ? 57  A SER 57  SER 
A 1 THR 62  n 62  ? 58  A THR 58  THR 
A 1 GLU 63  n 63  ? 59  A GLU 59  GLU 
A 1 LEU 64  n 64  ? 60  A LEU 60  LEU 
A 1 LEU 65  n 65  ? 61  A LEU 61  LEU 
A 1 ILE 66  n 66  ? 62  A ILE 62  ILE 
A 1 ARG 67  n 67  ? 63  A ARG 63  ARG 
A 1 LYS 68  n 68  ? 64  A LYS 64  LYS 
A 1 LEU 69  n 69  ? 65  A LEU 65  LEU 
A 1 PRO 70  n 70  ? 66  A PRO 66  PRO 
A 1 PHE 71  n 71  ? 67  A PHE 67  PHE 
A 1 GLN 72  n 72  ? 68  A GLN 68  GLN 
A 1 ARG 73  n 73  ? 69  A ARG 69  ARG 
A 1 LEU 74  n 74  ? 70  A LEU 70  LEU 
A 1 VAL 75  n 75  ? 71  A VAL 71  VAL 
A 1 ARG 76  n 76  ? 72  A ARG 72  ARG 
A 1 GLU 77  n 77  ? 73  A GLU 73  GLU 
A 1 ILE 78  n 78  ? 74  A ILE 74  ILE 
A 1 ALA 79  n 79  ? 75  A ALA 75  ALA 
A 1 GLN 80  n 80  ? 76  A GLN 76  GLN 
A 1 ASP 81  n 81  ? 77  A ASP 77  ASP 
A 1 PHE 82  n 82  ? 78  A PHE 78  PHE 
A 1 LYS 83  n 83  ? 79  A LYS 79  LYS 
A 1 THR 84  n 84  ? 80  A THR 80  THR 
A 1 ASP 85  n 85  ? 81  A ASP 81  ASP 
A 1 LEU 86  n 86  ? 82  A LEU 82  LEU 
A 1 ARG 87  n 87  ? 83  A ARG 83  ARG 
A 1 PHE 88  n 88  ? 84  A PHE 84  PHE 
A 1 GLN 89  n 89  ? 85  A GLN 85  GLN 
A 1 SER 90  n 90  ? 86  A SER 86  SER 
A 1 SER 91  n 91  ? 87  A SER 87  SER 
A 1 ALA 92  n 92  ? 88  A ALA 88  ALA 
A 1 VAL 93  n 93  ? 89  A VAL 89  VAL 
A 1 MET 94  n 94  ? 90  A MET 90  MET 
A 1 ALA 95  n 95  ? 91  A ALA 91  ALA 
A 1 LEU 96  n 96  ? 92  A LEU 92  LEU 
A 1 GLN 97  n 97  ? 93  A GLN 93  GLN 
A 1 GLU 98  n 98  ? 94  A GLU 94  GLU 
A 1 ALA 99  n 99  ? 95  A ALA 95  ALA 
A 1 CYS 100 n 100 ? 96  A CYS 96  CYS 
A 1 GLU 101 n 101 ? 97  A GLU 97  GLU 
A 1 SER 102 n 102 ? 98  A SER 98  SER 
A 1 TYR 103 n 103 ? 99  A TYR 99  TYR 
A 1 LEU 104 n 104 ? 100 A LEU 100 LEU 
A 1 VAL 105 n 105 ? 101 A VAL 101 VAL 
A 1 GLY 106 n 106 ? 102 A GLY 102 GLY 
A 1 LEU 107 n 107 ? 103 A LEU 103 LEU 
A 1 PHE 108 n 108 ? 104 A PHE 104 PHE 
A 1 GLU 109 n 109 ? 105 A GLU 105 GLU 
A 1 ASP 110 n 110 ? 106 A ASP 106 ASP 
A 1 THR 111 n 111 ? 107 A THR 107 THR 
A 1 ASN 112 n 112 ? 108 A ASN 108 ASN 
A 1 LEU 113 n 113 ? 109 A LEU 109 LEU 
A 1 CYS 114 n 114 ? 110 A CYS 110 CYS 
A 1 ALA 115 n 115 ? 111 A ALA 111 ALA 
A 1 ILE 116 n 116 ? 112 A ILE 112 ILE 
A 1 HIS 117 n 117 ? 113 A HIS 113 HIS 
A 1 ALA 118 n 118 ? 114 A ALA 114 ALA 
A 1 LYS 119 n 119 ? 115 A LYS 115 LYS 
A 1 ARG 120 n 120 ? 116 A ARG 116 ARG 
A 1 VAL 121 n 121 ? 117 A VAL 117 VAL 
A 1 THR 122 n 122 ? 118 A THR 118 THR 
A 1 ILE 123 n 123 ? 119 A ILE 119 ILE 
A 1 MET 124 n 124 ? 120 A MET 120 MET 
A 1 PRO 125 n 125 ? 121 A PRO 121 PRO 
A 1 LYS 126 n 126 ? 122 A LYS 122 LYS 
A 1 ASP 127 n 127 ? 123 A ASP 123 ASP 
A 1 ILE 128 n 128 ? 124 A ILE 124 ILE 
A 1 GLN 129 n 129 ? 125 A GLN 125 GLN 
A 1 LEU 130 n 130 ? 126 A LEU 126 LEU 
A 1 ALA 131 n 131 ? 127 A ALA 127 ALA 
A 1 ARG 132 n 132 ? 128 A ARG 128 ARG 
A 1 ARG 133 n 133 ? 129 A ARG 129 ARG 
A 1 ILE 134 n 134 ? 130 A ILE 130 ILE 
A 1 ARG 135 n 135 ? 131 A ARG 131 ARG 
A 1 GLY 136 n 136 ? 132 A GLY 132 GLY 
A 1 GLU 137 n 137 ? 133 A GLU 133 GLU 
A 1 ARG 138 n 138 ? 134 A ARG 134 ARG 
A 1 ALA 139 n 139 ? 135 A ?   ?   ?   
B 2 GLY 1   n 1   ? -3  B ?   ?   ?   
B 2 SER 2   n 2   ? -2  B ?   ?   ?   
B 2 HIS 3   n 3   ? -1  B ?   ?   ?   
B 2 MET 4   n 4   ? 0   B ?   ?   ?   
B 2 SER 5   n 5   ? 1   B ?   ?   ?   
B 2 GLY 6   n 6   ? 2   B ?   ?   ?   
B 2 ARG 7   n 7   ? 3   B ?   ?   ?   
B 2 GLY 8   n 8   ? 4   B ?   ?   ?   
B 2 LYS 9   n 9   ? 5   B ?   ?   ?   
B 2 GLY 10  n 10  ? 6   B ?   ?   ?   
B 2 GLY 11  n 11  ? 7   B ?   ?   ?   
B 2 LYS 12  n 12  ? 8   B ?   ?   ?   
B 2 GLY 13  n 13  ? 9   B ?   ?   ?   
B 2 LEU 14  n 14  ? 10  B ?   ?   ?   
B 2 GLY 15  n 15  ? 11  B ?   ?   ?   
B 2 LYS 16  n 16  ? 12  B ?   ?   ?   
B 2 GLY 17  n 17  ? 13  B ?   ?   ?   
B 2 GLY 18  n 18  ? 14  B ?   ?   ?   
B 2 ALA 19  n 19  ? 15  B ?   ?   ?   
B 2 LYS 20  n 20  ? 16  B ?   ?   ?   
B 2 ARG 21  n 21  ? 17  B ?   ?   ?   
B 2 HIS 22  n 22  ? 18  B ?   ?   ?   
B 2 ARG 23  n 23  ? 19  B ?   ?   ?   
B 2 LYS 24  n 24  ? 20  B ?   ?   ?   
B 2 VAL 25  n 25  ? 21  B ?   ?   ?   
B 2 LEU 26  n 26  ? 22  B ?   ?   ?   
B 2 ARG 27  n 27  ? 23  B ?   ?   ?   
B 2 ASP 28  n 28  ? 24  B ?   ?   ?   
B 2 ASN 29  n 29  ? 25  B ASN 25  ASN 
B 2 ILE 30  n 30  ? 26  B ILE 26  ILE 
B 2 GLN 31  n 31  ? 27  B GLN 27  GLN 
B 2 GLY 32  n 32  ? 28  B GLY 28  GLY 
B 2 ILE 33  n 33  ? 29  B ILE 29  ILE 
B 2 THR 34  n 34  ? 30  B THR 30  THR 
B 2 LYS 35  n 35  ? 31  B LYS 31  LYS 
B 2 PRO 36  n 36  ? 32  B PRO 32  PRO 
B 2 ALA 37  n 37  ? 33  B ALA 33  ALA 
B 2 ILE 38  n 38  ? 34  B ILE 34  ILE 
B 2 ARG 39  n 39  ? 35  B ARG 35  ARG 
B 2 ARG 40  n 40  ? 36  B ARG 36  ARG 
B 2 LEU 41  n 41  ? 37  B LEU 37  LEU 
B 2 ALA 42  n 42  ? 38  B ALA 38  ALA 
B 2 ARG 43  n 43  ? 39  B ARG 39  ARG 
B 2 ARG 44  n 44  ? 40  B ARG 40  ARG 
B 2 GLY 45  n 45  ? 41  B GLY 41  GLY 
B 2 GLY 46  n 46  ? 42  B GLY 42  GLY 
B 2 VAL 47  n 47  ? 43  B VAL 43  VAL 
B 2 LYS 48  n 48  ? 44  B LYS 44  LYS 
B 2 ARG 49  n 49  ? 45  B ARG 45  ARG 
B 2 ILE 50  n 50  ? 46  B ILE 46  ILE 
B 2 SER 51  n 51  ? 47  B SER 47  SER 
B 2 GLY 52  n 52  ? 48  B GLY 48  GLY 
B 2 LEU 53  n 53  ? 49  B LEU 49  LEU 
B 2 ILE 54  n 54  ? 50  B ILE 50  ILE 
B 2 TYR 55  n 55  ? 51  B TYR 51  TYR 
B 2 GLU 56  n 56  ? 52  B GLU 52  GLU 
B 2 GLU 57  n 57  ? 53  B GLU 53  GLU 
B 2 THR 58  n 58  ? 54  B THR 54  THR 
B 2 ARG 59  n 59  ? 55  B ARG 55  ARG 
B 2 GLY 60  n 60  ? 56  B GLY 56  GLY 
B 2 VAL 61  n 61  ? 57  B VAL 57  VAL 
B 2 LEU 62  n 62  ? 58  B LEU 58  LEU 
B 2 LYS 63  n 63  ? 59  B LYS 59  LYS 
B 2 VAL 64  n 64  ? 60  B VAL 60  VAL 
B 2 PHE 65  n 65  ? 61  B PHE 61  PHE 
B 2 LEU 66  n 66  ? 62  B LEU 62  LEU 
B 2 GLU 67  n 67  ? 63  B GLU 63  GLU 
B 2 ASN 68  n 68  ? 64  B ASN 64  ASN 
B 2 VAL 69  n 69  ? 65  B VAL 65  VAL 
B 2 ILE 70  n 70  ? 66  B ILE 66  ILE 
B 2 ARG 71  n 71  ? 67  B ARG 67  ARG 
B 2 ASP 72  n 72  ? 68  B ASP 68  ASP 
B 2 ALA 73  n 73  ? 69  B ALA 69  ALA 
B 2 VAL 74  n 74  ? 70  B VAL 70  VAL 
B 2 THR 75  n 75  ? 71  B THR 71  THR 
B 2 TYR 76  n 76  ? 72  B TYR 72  TYR 
B 2 THR 77  n 77  ? 73  B THR 73  THR 
B 2 GLU 78  n 78  ? 74  B GLU 74  GLU 
B 2 HIS 79  n 79  ? 75  B HIS 75  HIS 
B 2 ALA 80  n 80  ? 76  B ALA 76  ALA 
B 2 LYS 81  n 81  ? 77  B LYS 77  LYS 
B 2 ARG 82  n 82  ? 78  B ARG 78  ARG 
B 2 LYS 83  n 83  ? 79  B LYS 79  LYS 
B 2 THR 84  n 84  ? 80  B THR 80  THR 
B 2 VAL 85  n 85  ? 81  B VAL 81  VAL 
B 2 THR 86  n 86  ? 82  B THR 82  THR 
B 2 ALA 87  n 87  ? 83  B ALA 83  ALA 
B 2 MET 88  n 88  ? 84  B MET 84  MET 
B 2 ASP 89  n 89  ? 85  B ASP 85  ASP 
B 2 VAL 90  n 90  ? 86  B VAL 86  VAL 
B 2 VAL 91  n 91  ? 87  B VAL 87  VAL 
B 2 TYR 92  n 92  ? 88  B TYR 88  TYR 
B 2 ALA 93  n 93  ? 89  B ALA 89  ALA 
B 2 LEU 94  n 94  ? 90  B LEU 90  LEU 
B 2 LYS 95  n 95  ? 91  B LYS 91  LYS 
B 2 ARG 96  n 96  ? 92  B ARG 92  ARG 
B 2 GLN 97  n 97  ? 93  B GLN 93  GLN 
B 2 GLY 98  n 98  ? 94  B GLY 94  GLY 
B 2 ARG 99  n 99  ? 95  B ARG 95  ARG 
B 2 THR 100 n 100 ? 96  B THR 96  THR 
B 2 LEU 101 n 101 ? 97  B LEU 97  LEU 
B 2 TYR 102 n 102 ? 98  B TYR 98  TYR 
B 2 GLY 103 n 103 ? 99  B GLY 99  GLY 
B 2 PHE 104 n 104 ? 100 B PHE 100 PHE 
B 2 GLY 105 n 105 ? 101 B GLY 101 GLY 
B 2 GLY 106 n 106 ? 102 B GLY 102 GLY 
C 3 GLY 1   n 1   ? -3  C ?   ?   ?   
C 3 SER 2   n 2   ? -2  C ?   ?   ?   
C 3 HIS 3   n 3   ? -1  C ?   ?   ?   
C 3 MET 4   n 4   ? 0   C ?   ?   ?   
C 3 SER 5   n 5   ? 1   C ?   ?   ?   
C 3 GLY 6   n 6   ? 2   C ?   ?   ?   
C 3 ARG 7   n 7   ? 3   C ?   ?   ?   
C 3 GLY 8   n 8   ? 4   C ?   ?   ?   
C 3 LYS 9   n 9   ? 5   C ?   ?   ?   
C 3 GLN 10  n 10  ? 6   C ?   ?   ?   
C 3 GLY 11  n 11  ? 7   C ?   ?   ?   
C 3 GLY 12  n 12  ? 8   C ?   ?   ?   
C 3 LYS 13  n 13  ? 9   C ?   ?   ?   
C 3 ALA 14  n 14  ? 10  C ?   ?   ?   
C 3 ARG 15  n 15  ? 11  C ARG 11  ARG 
C 3 ALA 16  n 16  ? 12  C ALA 12  ALA 
C 3 LYS 17  n 17  ? 13  C LYS 13  LYS 
C 3 ALA 18  n 18  ? 14  C ALA 14  ALA 
C 3 LYS 19  n 19  ? 15  C LYS 15  LYS 
C 3 THR 20  n 20  ? 16  C THR 16  THR 
C 3 ARG 21  n 21  ? 17  C ARG 17  ARG 
C 3 SER 22  n 22  ? 18  C SER 18  SER 
C 3 SER 23  n 23  ? 19  C SER 19  SER 
C 3 ARG 24  n 24  ? 20  C ARG 20  ARG 
C 3 ALA 25  n 25  ? 21  C ALA 21  ALA 
C 3 GLY 26  n 26  ? 22  C GLY 22  GLY 
C 3 LEU 27  n 27  ? 23  C LEU 23  LEU 
C 3 GLN 28  n 28  ? 24  C GLN 24  GLN 
C 3 PHE 29  n 29  ? 25  C PHE 25  PHE 
C 3 PRO 30  n 30  ? 26  C PRO 26  PRO 
C 3 VAL 31  n 31  ? 27  C VAL 27  VAL 
C 3 GLY 32  n 32  ? 28  C GLY 28  GLY 
C 3 ARG 33  n 33  ? 29  C ARG 29  ARG 
C 3 VAL 34  n 34  ? 30  C VAL 30  VAL 
C 3 HIS 35  n 35  ? 31  C HIS 31  HIS 
C 3 ARG 36  n 36  ? 32  C ARG 32  ARG 
C 3 LEU 37  n 37  ? 33  C LEU 33  LEU 
C 3 LEU 38  n 38  ? 34  C LEU 34  LEU 
C 3 ARG 39  n 39  ? 35  C ARG 35  ARG 
C 3 LYS 40  n 40  ? 36  C LYS 36  LYS 
C 3 GLY 41  n 41  ? 37  C GLY 37  GLY 
C 3 ASN 42  n 42  ? 38  C ASN 38  ASN 
C 3 TYR 43  n 43  ? 39  C TYR 39  TYR 
C 3 SER 44  n 44  ? 40  C SER 40  SER 
C 3 GLU 45  n 45  ? 41  C GLU 41  GLU 
C 3 ARG 46  n 46  ? 42  C ARG 42  ARG 
C 3 VAL 47  n 47  ? 43  C VAL 43  VAL 
C 3 GLY 48  n 48  ? 44  C GLY 44  GLY 
C 3 ALA 49  n 49  ? 45  C ALA 45  ALA 
C 3 GLY 50  n 50  ? 46  C GLY 46  GLY 
C 3 ALA 51  n 51  ? 47  C ALA 47  ALA 
C 3 PRO 52  n 52  ? 48  C PRO 48  PRO 
C 3 VAL 53  n 53  ? 49  C VAL 49  VAL 
C 3 TYR 54  n 54  ? 50  C TYR 50  TYR 
C 3 LEU 55  n 55  ? 51  C LEU 51  LEU 
C 3 ALA 56  n 56  ? 52  C ALA 52  ALA 
C 3 ALA 57  n 57  ? 53  C ALA 53  ALA 
C 3 VAL 58  n 58  ? 54  C VAL 54  VAL 
C 3 LEU 59  n 59  ? 55  C LEU 55  LEU 
C 3 GLU 60  n 60  ? 56  C GLU 56  GLU 
C 3 TYR 61  n 61  ? 57  C TYR 57  TYR 
C 3 LEU 62  n 62  ? 58  C LEU 58  LEU 
C 3 THR 63  n 63  ? 59  C THR 59  THR 
C 3 ALA 64  n 64  ? 60  C ALA 60  ALA 
C 3 GLU 65  n 65  ? 61  C GLU 61  GLU 
C 3 ILE 66  n 66  ? 62  C ILE 62  ILE 
C 3 LEU 67  n 67  ? 63  C LEU 63  LEU 
C 3 GLU 68  n 68  ? 64  C GLU 64  GLU 
C 3 LEU 69  n 69  ? 65  C LEU 65  LEU 
C 3 ALA 70  n 70  ? 66  C ALA 66  ALA 
C 3 GLY 71  n 71  ? 67  C GLY 67  GLY 
C 3 ASN 72  n 72  ? 68  C ASN 68  ASN 
C 3 ALA 73  n 73  ? 69  C ALA 69  ALA 
C 3 ALA 74  n 74  ? 70  C ALA 70  ALA 
C 3 ARG 75  n 75  ? 71  C ARG 71  ARG 
C 3 ASP 76  n 76  ? 72  C ASP 72  ASP 
C 3 ASN 77  n 77  ? 73  C ASN 73  ASN 
C 3 LYS 78  n 78  ? 74  C LYS 74  LYS 
C 3 LYS 79  n 79  ? 75  C LYS 75  LYS 
C 3 THR 80  n 80  ? 76  C THR 76  THR 
C 3 ARG 81  n 81  ? 77  C ARG 77  ARG 
C 3 ILE 82  n 82  ? 78  C ILE 78  ILE 
C 3 ILE 83  n 83  ? 79  C ILE 79  ILE 
C 3 PRO 84  n 84  ? 80  C PRO 80  PRO 
C 3 ARG 85  n 85  ? 81  C ARG 81  ARG 
C 3 HIS 86  n 86  ? 82  C HIS 82  HIS 
C 3 LEU 87  n 87  ? 83  C LEU 83  LEU 
C 3 GLN 88  n 88  ? 84  C GLN 84  GLN 
C 3 LEU 89  n 89  ? 85  C LEU 85  LEU 
C 3 ALA 90  n 90  ? 86  C ALA 86  ALA 
C 3 ILE 91  n 91  ? 87  C ILE 87  ILE 
C 3 ARG 92  n 92  ? 88  C ARG 88  ARG 
C 3 ASN 93  n 93  ? 89  C ASN 89  ASN 
C 3 ASP 94  n 94  ? 90  C ASP 90  ASP 
C 3 GLU 95  n 95  ? 91  C GLU 91  GLU 
C 3 GLU 96  n 96  ? 92  C GLU 92  GLU 
C 3 LEU 97  n 97  ? 93  C LEU 93  LEU 
C 3 ASN 98  n 98  ? 94  C ASN 94  ASN 
C 3 LYS 99  n 99  ? 95  C LYS 95  LYS 
C 3 LEU 100 n 100 ? 96  C LEU 96  LEU 
C 3 LEU 101 n 101 ? 97  C LEU 97  LEU 
C 3 GLY 102 n 102 ? 98  C GLY 98  GLY 
C 3 ARG 103 n 103 ? 99  C ARG 99  ARG 
C 3 VAL 104 n 104 ? 100 C VAL 100 VAL 
C 3 THR 105 n 105 ? 101 C THR 101 THR 
C 3 ILE 106 n 106 ? 102 C ILE 102 ILE 
C 3 ALA 107 n 107 ? 103 C ALA 103 ALA 
C 3 GLN 108 n 108 ? 104 C GLN 104 GLN 
C 3 GLY 109 n 109 ? 105 C GLY 105 GLY 
C 3 GLY 110 n 110 ? 106 C GLY 106 GLY 
C 3 VAL 111 n 111 ? 107 C VAL 107 VAL 
C 3 LEU 112 n 112 ? 108 C LEU 108 LEU 
C 3 PRO 113 n 113 ? 109 C PRO 109 PRO 
C 3 ASN 114 n 114 ? 110 C ASN 110 ASN 
C 3 ILE 115 n 115 ? 111 C ILE 111 ILE 
C 3 GLN 116 n 116 ? 112 C GLN 112 GLN 
C 3 ALA 117 n 117 ? 113 C ALA 113 ALA 
C 3 VAL 118 n 118 ? 114 C VAL 114 VAL 
C 3 LEU 119 n 119 ? 115 C LEU 115 LEU 
C 3 LEU 120 n 120 ? 116 C LEU 116 LEU 
C 3 PRO 121 n 121 ? 117 C PRO 117 PRO 
C 3 LYS 122 n 122 ? 118 C LYS 118 LYS 
C 3 LYS 123 n 123 ? 119 C ?   ?   ?   
C 3 THR 124 n 124 ? 120 C ?   ?   ?   
C 3 GLU 125 n 125 ? 121 C ?   ?   ?   
C 3 SER 126 n 126 ? 122 C ?   ?   ?   
C 3 HIS 127 n 127 ? 123 C ?   ?   ?   
C 3 HIS 128 n 128 ? 124 C ?   ?   ?   
C 3 LYS 129 n 129 ? 125 C ?   ?   ?   
C 3 ALA 130 n 130 ? 126 C ?   ?   ?   
C 3 LYS 131 n 131 ? 127 C ?   ?   ?   
C 3 GLY 132 n 132 ? 128 C ?   ?   ?   
C 3 LYS 133 n 133 ? 129 C ?   ?   ?   
D 4 GLY 1   n 1   ? -3  D ?   ?   ?   
D 4 SER 2   n 2   ? -2  D ?   ?   ?   
D 4 HIS 3   n 3   ? -1  D ?   ?   ?   
D 4 MET 4   n 4   ? 0   D ?   ?   ?   
D 4 PRO 5   n 5   ? 1   D ?   ?   ?   
D 4 GLU 6   n 6   ? 2   D ?   ?   ?   
D 4 PRO 7   n 7   ? 3   D ?   ?   ?   
D 4 SER 8   n 8   ? 4   D ?   ?   ?   
D 4 ARG 9   n 9   ? 5   D ?   ?   ?   
D 4 SER 10  n 10  ? 6   D ?   ?   ?   
D 4 THR 11  n 11  ? 7   D ?   ?   ?   
D 4 PRO 12  n 12  ? 8   D ?   ?   ?   
D 4 ALA 13  n 13  ? 9   D ?   ?   ?   
D 4 PRO 14  n 14  ? 10  D ?   ?   ?   
D 4 LYS 15  n 15  ? 11  D ?   ?   ?   
D 4 LYS 16  n 16  ? 12  D ?   ?   ?   
D 4 GLY 17  n 17  ? 13  D ?   ?   ?   
D 4 SER 18  n 18  ? 14  D ?   ?   ?   
D 4 LYS 19  n 19  ? 15  D ?   ?   ?   
D 4 LYS 20  n 20  ? 16  D ?   ?   ?   
D 4 ALA 21  n 21  ? 17  D ?   ?   ?   
D 4 ILE 22  n 22  ? 18  D ?   ?   ?   
D 4 THR 23  n 23  ? 19  D ?   ?   ?   
D 4 LYS 24  n 24  ? 20  D ?   ?   ?   
D 4 ALA 25  n 25  ? 21  D ?   ?   ?   
D 4 GLN 26  n 26  ? 22  D ?   ?   ?   
D 4 LYS 27  n 27  ? 23  D ?   ?   ?   
D 4 LYS 28  n 28  ? 24  D ?   ?   ?   
D 4 ASP 29  n 29  ? 25  D ?   ?   ?   
D 4 GLY 30  n 30  ? 26  D ?   ?   ?   
D 4 LYS 31  n 31  ? 27  D ?   ?   ?   
D 4 LYS 32  n 32  ? 28  D ?   ?   ?   
D 4 ARG 33  n 33  ? 29  D ?   ?   ?   
D 4 LYS 34  n 34  ? 30  D ?   ?   ?   
D 4 ARG 35  n 35  ? 31  D ?   ?   ?   
D 4 GLY 36  n 36  ? 32  D GLY 32  GLY 
D 4 ARG 37  n 37  ? 33  D ARG 33  ARG 
D 4 LYS 38  n 38  ? 34  D LYS 34  LYS 
D 4 GLU 39  n 39  ? 35  D GLU 35  GLU 
D 4 SER 40  n 40  ? 36  D SER 36  SER 
D 4 TYR 41  n 41  ? 37  D TYR 37  TYR 
D 4 SER 42  n 42  ? 38  D SER 38  SER 
D 4 ILE 43  n 43  ? 39  D ILE 39  ILE 
D 4 TYR 44  n 44  ? 40  D TYR 40  TYR 
D 4 VAL 45  n 45  ? 41  D VAL 41  VAL 
D 4 TYR 46  n 46  ? 42  D TYR 42  TYR 
D 4 LYS 47  n 47  ? 43  D LYS 43  LYS 
D 4 VAL 48  n 48  ? 44  D VAL 44  VAL 
D 4 LEU 49  n 49  ? 45  D LEU 45  LEU 
D 4 LYS 50  n 50  ? 46  D LYS 46  LYS 
D 4 GLN 51  n 51  ? 47  D GLN 47  GLN 
D 4 VAL 52  n 52  ? 48  D VAL 48  VAL 
D 4 HIS 53  n 53  ? 49  D HIS 49  HIS 
D 4 PRO 54  n 54  ? 50  D PRO 50  PRO 
D 4 ASP 55  n 55  ? 51  D ASP 51  ASP 
D 4 THR 56  n 56  ? 52  D THR 52  THR 
D 4 GLY 57  n 57  ? 53  D GLY 53  GLY 
D 4 ILE 58  n 58  ? 54  D ILE 54  ILE 
D 4 SER 59  n 59  ? 55  D SER 55  SER 
D 4 SER 60  n 60  ? 56  D SER 56  SER 
D 4 LYS 61  n 61  ? 57  D LYS 57  LYS 
D 4 ALA 62  n 62  ? 58  D ALA 58  ALA 
D 4 MET 63  n 63  ? 59  D MET 59  MET 
D 4 GLY 64  n 64  ? 60  D GLY 60  GLY 
D 4 ILE 65  n 65  ? 61  D ILE 61  ILE 
D 4 MET 66  n 66  ? 62  D MET 62  MET 
D 4 ASN 67  n 67  ? 63  D ASN 63  ASN 
D 4 SER 68  n 68  ? 64  D SER 64  SER 
D 4 PHE 69  n 69  ? 65  D PHE 65  PHE 
D 4 VAL 70  n 70  ? 66  D VAL 66  VAL 
D 4 ASN 71  n 71  ? 67  D ASN 67  ASN 
D 4 ASP 72  n 72  ? 68  D ASP 68  ASP 
D 4 ILE 73  n 73  ? 69  D ILE 69  ILE 
D 4 PHE 74  n 74  ? 70  D PHE 70  PHE 
D 4 GLU 75  n 75  ? 71  D GLU 71  GLU 
D 4 ARG 76  n 76  ? 72  D ARG 72  ARG 
D 4 ILE 77  n 77  ? 73  D ILE 73  ILE 
D 4 ALA 78  n 78  ? 74  D ALA 74  ALA 
D 4 SER 79  n 79  ? 75  D SER 75  SER 
D 4 GLU 80  n 80  ? 76  D GLU 76  GLU 
D 4 ALA 81  n 81  ? 77  D ALA 77  ALA 
D 4 SER 82  n 82  ? 78  D SER 78  SER 
D 4 ARG 83  n 83  ? 79  D ARG 79  ARG 
D 4 LEU 84  n 84  ? 80  D LEU 80  LEU 
D 4 ALA 85  n 85  ? 81  D ALA 81  ALA 
D 4 HIS 86  n 86  ? 82  D HIS 82  HIS 
D 4 TYR 87  n 87  ? 83  D TYR 83  TYR 
D 4 ASN 88  n 88  ? 84  D ASN 84  ASN 
D 4 LYS 89  n 89  ? 85  D LYS 85  LYS 
D 4 ARG 90  n 90  ? 86  D ARG 86  ARG 
D 4 SER 91  n 91  ? 87  D SER 87  SER 
D 4 THR 92  n 92  ? 88  D THR 88  THR 
D 4 ILE 93  n 93  ? 89  D ILE 89  ILE 
D 4 THR 94  n 94  ? 90  D THR 90  THR 
D 4 SER 95  n 95  ? 91  D SER 91  SER 
D 4 ARG 96  n 96  ? 92  D ARG 92  ARG 
D 4 GLU 97  n 97  ? 93  D GLU 93  GLU 
D 4 VAL 98  n 98  ? 94  D VAL 94  VAL 
D 4 GLN 99  n 99  ? 95  D GLN 95  GLN 
D 4 THR 100 n 100 ? 96  D THR 96  THR 
D 4 ALA 101 n 101 ? 97  D ALA 97  ALA 
D 4 VAL 102 n 102 ? 98  D VAL 98  VAL 
D 4 ARG 103 n 103 ? 99  D ARG 99  ARG 
D 4 LEU 104 n 104 ? 100 D LEU 100 LEU 
D 4 LEU 105 n 105 ? 101 D LEU 101 LEU 
D 4 LEU 106 n 106 ? 102 D LEU 102 LEU 
D 4 PRO 107 n 107 ? 103 D PRO 103 PRO 
D 4 GLY 108 n 108 ? 104 D GLY 104 GLY 
D 4 GLU 109 n 109 ? 105 D GLU 105 GLU 
D 4 LEU 110 n 110 ? 106 D LEU 106 LEU 
D 4 ALA 111 n 111 ? 107 D ALA 107 ALA 
D 4 LYS 112 n 112 ? 108 D LYS 108 LYS 
D 4 HIS 113 n 113 ? 109 D HIS 109 HIS 
D 4 ALA 114 n 114 ? 110 D ALA 110 ALA 
D 4 VAL 115 n 115 ? 111 D VAL 111 VAL 
D 4 SER 116 n 116 ? 112 D SER 112 SER 
D 4 GLU 117 n 117 ? 113 D GLU 113 GLU 
D 4 GLY 118 n 118 ? 114 D GLY 114 GLY 
D 4 THR 119 n 119 ? 115 D THR 115 THR 
D 4 LYS 120 n 120 ? 116 D LYS 116 LYS 
D 4 ALA 121 n 121 ? 117 D ALA 117 ALA 
D 4 VAL 122 n 122 ? 118 D VAL 118 VAL 
D 4 THR 123 n 123 ? 119 D THR 119 THR 
D 4 LYS 124 n 124 ? 120 D LYS 120 LYS 
D 4 TYR 125 n 125 ? 121 D TYR 121 TYR 
D 4 THR 126 n 126 ? 122 D THR 122 THR 
D 4 SER 127 n 127 ? 123 D SER 123 SER 
D 4 SER 128 n 128 ? 124 D SER 124 SER 
D 4 LYS 129 n 129 ? 125 D ?   ?   ?   
E 1 GLY 1   n 1   ? -3  E ?   ?   ?   
E 1 SER 2   n 2   ? -2  E ?   ?   ?   
E 1 HIS 3   n 3   ? -1  E ?   ?   ?   
E 1 MET 4   n 4   ? 0   E ?   ?   ?   
E 1 ALA 5   n 5   ? 1   E ?   ?   ?   
E 1 ARG 6   n 6   ? 2   E ?   ?   ?   
E 1 THR 7   n 7   ? 3   E ?   ?   ?   
E 1 LYS 8   n 8   ? 4   E ?   ?   ?   
E 1 GLN 9   n 9   ? 5   E ?   ?   ?   
E 1 THR 10  n 10  ? 6   E ?   ?   ?   
E 1 ALA 11  n 11  ? 7   E ?   ?   ?   
E 1 ARG 12  n 12  ? 8   E ?   ?   ?   
E 1 LYS 13  n 13  ? 9   E ?   ?   ?   
E 1 SER 14  n 14  ? 10  E ?   ?   ?   
E 1 THR 15  n 15  ? 11  E ?   ?   ?   
E 1 GLY 16  n 16  ? 12  E ?   ?   ?   
E 1 GLY 17  n 17  ? 13  E ?   ?   ?   
E 1 LYS 18  n 18  ? 14  E ?   ?   ?   
E 1 ALA 19  n 19  ? 15  E ?   ?   ?   
E 1 PRO 20  n 20  ? 16  E ?   ?   ?   
E 1 ARG 21  n 21  ? 17  E ?   ?   ?   
E 1 LYS 22  n 22  ? 18  E ?   ?   ?   
E 1 GLN 23  n 23  ? 19  E ?   ?   ?   
E 1 LEU 24  n 24  ? 20  E ?   ?   ?   
E 1 ALA 25  n 25  ? 21  E ?   ?   ?   
E 1 THR 26  n 26  ? 22  E ?   ?   ?   
E 1 LYS 27  n 27  ? 23  E ?   ?   ?   
E 1 VAL 28  n 28  ? 24  E ?   ?   ?   
E 1 ALA 29  n 29  ? 25  E ?   ?   ?   
E 1 ARG 30  n 30  ? 26  E ?   ?   ?   
E 1 LYS 31  n 31  ? 27  E ?   ?   ?   
E 1 SER 32  n 32  ? 28  E ?   ?   ?   
E 1 ALA 33  n 33  ? 29  E ?   ?   ?   
E 1 PRO 34  n 34  ? 30  E ?   ?   ?   
E 1 ALA 35  n 35  ? 31  E ?   ?   ?   
E 1 THR 36  n 36  ? 32  E ?   ?   ?   
E 1 GLY 37  n 37  ? 33  E ?   ?   ?   
E 1 GLY 38  n 38  ? 34  E ?   ?   ?   
E 1 VAL 39  n 39  ? 35  E ?   ?   ?   
E 1 LYS 40  n 40  ? 36  E ?   ?   ?   
E 1 LYS 41  n 41  ? 37  E ?   ?   ?   
E 1 PRO 42  n 42  ? 38  E PRO 38  PRO 
E 1 HIS 43  n 43  ? 39  E HIS 39  HIS 
E 1 ARG 44  n 44  ? 40  E ARG 40  ARG 
E 1 TYR 45  n 45  ? 41  E TYR 41  TYR 
E 1 HIS 46  n 46  ? 42  E HIS 42  HIS 
E 1 PRO 47  n 47  ? 43  E PRO 43  PRO 
E 1 GLY 48  n 48  ? 44  E GLY 44  GLY 
E 1 THR 49  n 49  ? 45  E THR 45  THR 
E 1 VAL 50  n 50  ? 46  E VAL 46  VAL 
E 1 ALA 51  n 51  ? 47  E ALA 47  ALA 
E 1 LEU 52  n 52  ? 48  E LEU 48  LEU 
E 1 ARG 53  n 53  ? 49  E ARG 49  ARG 
E 1 GLU 54  n 54  ? 50  E GLU 50  GLU 
E 1 ILE 55  n 55  ? 51  E ILE 51  ILE 
E 1 ARG 56  n 56  ? 52  E ARG 52  ARG 
E 1 ARG 57  n 57  ? 53  E ARG 53  ARG 
E 1 TYR 58  n 58  ? 54  E TYR 54  TYR 
E 1 GLN 59  n 59  ? 55  E GLN 55  GLN 
E 1 LYS 60  n 60  ? 56  E LYS 56  LYS 
E 1 SER 61  n 61  ? 57  E SER 57  SER 
E 1 THR 62  n 62  ? 58  E THR 58  THR 
E 1 GLU 63  n 63  ? 59  E GLU 59  GLU 
E 1 LEU 64  n 64  ? 60  E LEU 60  LEU 
E 1 LEU 65  n 65  ? 61  E LEU 61  LEU 
E 1 ILE 66  n 66  ? 62  E ILE 62  ILE 
E 1 ARG 67  n 67  ? 63  E ARG 63  ARG 
E 1 LYS 68  n 68  ? 64  E LYS 64  LYS 
E 1 LEU 69  n 69  ? 65  E LEU 65  LEU 
E 1 PRO 70  n 70  ? 66  E PRO 66  PRO 
E 1 PHE 71  n 71  ? 67  E PHE 67  PHE 
E 1 GLN 72  n 72  ? 68  E GLN 68  GLN 
E 1 ARG 73  n 73  ? 69  E ARG 69  ARG 
E 1 LEU 74  n 74  ? 70  E LEU 70  LEU 
E 1 VAL 75  n 75  ? 71  E VAL 71  VAL 
E 1 ARG 76  n 76  ? 72  E ARG 72  ARG 
E 1 GLU 77  n 77  ? 73  E GLU 73  GLU 
E 1 ILE 78  n 78  ? 74  E ILE 74  ILE 
E 1 ALA 79  n 79  ? 75  E ALA 75  ALA 
E 1 GLN 80  n 80  ? 76  E GLN 76  GLN 
E 1 ASP 81  n 81  ? 77  E ASP 77  ASP 
E 1 PHE 82  n 82  ? 78  E PHE 78  PHE 
E 1 LYS 83  n 83  ? 79  E LYS 79  LYS 
E 1 THR 84  n 84  ? 80  E THR 80  THR 
E 1 ASP 85  n 85  ? 81  E ASP 81  ASP 
E 1 LEU 86  n 86  ? 82  E LEU 82  LEU 
E 1 ARG 87  n 87  ? 83  E ARG 83  ARG 
E 1 PHE 88  n 88  ? 84  E PHE 84  PHE 
E 1 GLN 89  n 89  ? 85  E GLN 85  GLN 
E 1 SER 90  n 90  ? 86  E SER 86  SER 
E 1 SER 91  n 91  ? 87  E SER 87  SER 
E 1 ALA 92  n 92  ? 88  E ALA 88  ALA 
E 1 VAL 93  n 93  ? 89  E VAL 89  VAL 
E 1 MET 94  n 94  ? 90  E MET 90  MET 
E 1 ALA 95  n 95  ? 91  E ALA 91  ALA 
E 1 LEU 96  n 96  ? 92  E LEU 92  LEU 
E 1 GLN 97  n 97  ? 93  E GLN 93  GLN 
E 1 GLU 98  n 98  ? 94  E GLU 94  GLU 
E 1 ALA 99  n 99  ? 95  E ALA 95  ALA 
E 1 CYS 100 n 100 ? 96  E CYS 96  CYS 
E 1 GLU 101 n 101 ? 97  E GLU 97  GLU 
E 1 SER 102 n 102 ? 98  E SER 98  SER 
E 1 TYR 103 n 103 ? 99  E TYR 99  TYR 
E 1 LEU 104 n 104 ? 100 E LEU 100 LEU 
E 1 VAL 105 n 105 ? 101 E VAL 101 VAL 
E 1 GLY 106 n 106 ? 102 E GLY 102 GLY 
E 1 LEU 107 n 107 ? 103 E LEU 103 LEU 
E 1 PHE 108 n 108 ? 104 E PHE 104 PHE 
E 1 GLU 109 n 109 ? 105 E GLU 105 GLU 
E 1 ASP 110 n 110 ? 106 E ASP 106 ASP 
E 1 THR 111 n 111 ? 107 E THR 107 THR 
E 1 ASN 112 n 112 ? 108 E ASN 108 ASN 
E 1 LEU 113 n 113 ? 109 E LEU 109 LEU 
E 1 CYS 114 n 114 ? 110 E CYS 110 CYS 
E 1 ALA 115 n 115 ? 111 E ALA 111 ALA 
E 1 ILE 116 n 116 ? 112 E ILE 112 ILE 
E 1 HIS 117 n 117 ? 113 E HIS 113 HIS 
E 1 ALA 118 n 118 ? 114 E ALA 114 ALA 
E 1 LYS 119 n 119 ? 115 E LYS 115 LYS 
E 1 ARG 120 n 120 ? 116 E ARG 116 ARG 
E 1 VAL 121 n 121 ? 117 E VAL 117 VAL 
E 1 THR 122 n 122 ? 118 E THR 118 THR 
E 1 ILE 123 n 123 ? 119 E ILE 119 ILE 
E 1 MET 124 n 124 ? 120 E MET 120 MET 
E 1 PRO 125 n 125 ? 121 E PRO 121 PRO 
E 1 LYS 126 n 126 ? 122 E LYS 122 LYS 
E 1 ASP 127 n 127 ? 123 E ASP 123 ASP 
E 1 ILE 128 n 128 ? 124 E ILE 124 ILE 
E 1 GLN 129 n 129 ? 125 E GLN 125 GLN 
E 1 LEU 130 n 130 ? 126 E LEU 126 LEU 
E 1 ALA 131 n 131 ? 127 E ALA 127 ALA 
E 1 ARG 132 n 132 ? 128 E ARG 128 ARG 
E 1 ARG 133 n 133 ? 129 E ARG 129 ARG 
E 1 ILE 134 n 134 ? 130 E ILE 130 ILE 
E 1 ARG 135 n 135 ? 131 E ARG 131 ARG 
E 1 GLY 136 n 136 ? 132 E GLY 132 GLY 
E 1 GLU 137 n 137 ? 133 E GLU 133 GLU 
E 1 ARG 138 n 138 ? 134 E ARG 134 ARG 
E 1 ALA 139 n 139 ? 135 E ?   ?   ?   
F 2 GLY 1   n 1   ? -3  F ?   ?   ?   
F 2 SER 2   n 2   ? -2  F ?   ?   ?   
F 2 HIS 3   n 3   ? -1  F ?   ?   ?   
F 2 MET 4   n 4   ? 0   F ?   ?   ?   
F 2 SER 5   n 5   ? 1   F ?   ?   ?   
F 2 GLY 6   n 6   ? 2   F ?   ?   ?   
F 2 ARG 7   n 7   ? 3   F ?   ?   ?   
F 2 GLY 8   n 8   ? 4   F ?   ?   ?   
F 2 LYS 9   n 9   ? 5   F ?   ?   ?   
F 2 GLY 10  n 10  ? 6   F ?   ?   ?   
F 2 GLY 11  n 11  ? 7   F ?   ?   ?   
F 2 LYS 12  n 12  ? 8   F ?   ?   ?   
F 2 GLY 13  n 13  ? 9   F ?   ?   ?   
F 2 LEU 14  n 14  ? 10  F ?   ?   ?   
F 2 GLY 15  n 15  ? 11  F ?   ?   ?   
F 2 LYS 16  n 16  ? 12  F ?   ?   ?   
F 2 GLY 17  n 17  ? 13  F ?   ?   ?   
F 2 GLY 18  n 18  ? 14  F ?   ?   ?   
F 2 ALA 19  n 19  ? 15  F ?   ?   ?   
F 2 LYS 20  n 20  ? 16  F ?   ?   ?   
F 2 ARG 21  n 21  ? 17  F ?   ?   ?   
F 2 HIS 22  n 22  ? 18  F ?   ?   ?   
F 2 ARG 23  n 23  ? 19  F ARG 19  ARG 
F 2 LYS 24  n 24  ? 20  F LYS 20  LYS 
F 2 VAL 25  n 25  ? 21  F VAL 21  VAL 
F 2 LEU 26  n 26  ? 22  F LEU 22  LEU 
F 2 ARG 27  n 27  ? 23  F ARG 23  ARG 
F 2 ASP 28  n 28  ? 24  F ASP 24  ASP 
F 2 ASN 29  n 29  ? 25  F ASN 25  ASN 
F 2 ILE 30  n 30  ? 26  F ILE 26  ILE 
F 2 GLN 31  n 31  ? 27  F GLN 27  GLN 
F 2 GLY 32  n 32  ? 28  F GLY 28  GLY 
F 2 ILE 33  n 33  ? 29  F ILE 29  ILE 
F 2 THR 34  n 34  ? 30  F THR 30  THR 
F 2 LYS 35  n 35  ? 31  F LYS 31  LYS 
F 2 PRO 36  n 36  ? 32  F PRO 32  PRO 
F 2 ALA 37  n 37  ? 33  F ALA 33  ALA 
F 2 ILE 38  n 38  ? 34  F ILE 34  ILE 
F 2 ARG 39  n 39  ? 35  F ARG 35  ARG 
F 2 ARG 40  n 40  ? 36  F ARG 36  ARG 
F 2 LEU 41  n 41  ? 37  F LEU 37  LEU 
F 2 ALA 42  n 42  ? 38  F ALA 38  ALA 
F 2 ARG 43  n 43  ? 39  F ARG 39  ARG 
F 2 ARG 44  n 44  ? 40  F ARG 40  ARG 
F 2 GLY 45  n 45  ? 41  F GLY 41  GLY 
F 2 GLY 46  n 46  ? 42  F GLY 42  GLY 
F 2 VAL 47  n 47  ? 43  F VAL 43  VAL 
F 2 LYS 48  n 48  ? 44  F LYS 44  LYS 
F 2 ARG 49  n 49  ? 45  F ARG 45  ARG 
F 2 ILE 50  n 50  ? 46  F ILE 46  ILE 
F 2 SER 51  n 51  ? 47  F SER 47  SER 
F 2 GLY 52  n 52  ? 48  F GLY 48  GLY 
F 2 LEU 53  n 53  ? 49  F LEU 49  LEU 
F 2 ILE 54  n 54  ? 50  F ILE 50  ILE 
F 2 TYR 55  n 55  ? 51  F TYR 51  TYR 
F 2 GLU 56  n 56  ? 52  F GLU 52  GLU 
F 2 GLU 57  n 57  ? 53  F GLU 53  GLU 
F 2 THR 58  n 58  ? 54  F THR 54  THR 
F 2 ARG 59  n 59  ? 55  F ARG 55  ARG 
F 2 GLY 60  n 60  ? 56  F GLY 56  GLY 
F 2 VAL 61  n 61  ? 57  F VAL 57  VAL 
F 2 LEU 62  n 62  ? 58  F LEU 58  LEU 
F 2 LYS 63  n 63  ? 59  F LYS 59  LYS 
F 2 VAL 64  n 64  ? 60  F VAL 60  VAL 
F 2 PHE 65  n 65  ? 61  F PHE 61  PHE 
F 2 LEU 66  n 66  ? 62  F LEU 62  LEU 
F 2 GLU 67  n 67  ? 63  F GLU 63  GLU 
F 2 ASN 68  n 68  ? 64  F ASN 64  ASN 
F 2 VAL 69  n 69  ? 65  F VAL 65  VAL 
F 2 ILE 70  n 70  ? 66  F ILE 66  ILE 
F 2 ARG 71  n 71  ? 67  F ARG 67  ARG 
F 2 ASP 72  n 72  ? 68  F ASP 68  ASP 
F 2 ALA 73  n 73  ? 69  F ALA 69  ALA 
F 2 VAL 74  n 74  ? 70  F VAL 70  VAL 
F 2 THR 75  n 75  ? 71  F THR 71  THR 
F 2 TYR 76  n 76  ? 72  F TYR 72  TYR 
F 2 THR 77  n 77  ? 73  F THR 73  THR 
F 2 GLU 78  n 78  ? 74  F GLU 74  GLU 
F 2 HIS 79  n 79  ? 75  F HIS 75  HIS 
F 2 ALA 80  n 80  ? 76  F ALA 76  ALA 
F 2 LYS 81  n 81  ? 77  F LYS 77  LYS 
F 2 ARG 82  n 82  ? 78  F ARG 78  ARG 
F 2 LYS 83  n 83  ? 79  F LYS 79  LYS 
F 2 THR 84  n 84  ? 80  F THR 80  THR 
F 2 VAL 85  n 85  ? 81  F VAL 81  VAL 
F 2 THR 86  n 86  ? 82  F THR 82  THR 
F 2 ALA 87  n 87  ? 83  F ALA 83  ALA 
F 2 MET 88  n 88  ? 84  F MET 84  MET 
F 2 ASP 89  n 89  ? 85  F ASP 85  ASP 
F 2 VAL 90  n 90  ? 86  F VAL 86  VAL 
F 2 VAL 91  n 91  ? 87  F VAL 87  VAL 
F 2 TYR 92  n 92  ? 88  F TYR 88  TYR 
F 2 ALA 93  n 93  ? 89  F ALA 89  ALA 
F 2 LEU 94  n 94  ? 90  F LEU 90  LEU 
F 2 LYS 95  n 95  ? 91  F LYS 91  LYS 
F 2 ARG 96  n 96  ? 92  F ARG 92  ARG 
F 2 GLN 97  n 97  ? 93  F GLN 93  GLN 
F 2 GLY 98  n 98  ? 94  F GLY 94  GLY 
F 2 ARG 99  n 99  ? 95  F ARG 95  ARG 
F 2 THR 100 n 100 ? 96  F THR 96  THR 
F 2 LEU 101 n 101 ? 97  F LEU 97  LEU 
F 2 TYR 102 n 102 ? 98  F TYR 98  TYR 
F 2 GLY 103 n 103 ? 99  F GLY 99  GLY 
F 2 PHE 104 n 104 ? 100 F PHE 100 PHE 
F 2 GLY 105 n 105 ? 101 F GLY 101 GLY 
F 2 GLY 106 n 106 ? 102 F GLY 102 GLY 
G 3 GLY 1   n 1   ? -3  G ?   ?   ?   
G 3 SER 2   n 2   ? -2  G ?   ?   ?   
G 3 HIS 3   n 3   ? -1  G ?   ?   ?   
G 3 MET 4   n 4   ? 0   G ?   ?   ?   
G 3 SER 5   n 5   ? 1   G ?   ?   ?   
G 3 GLY 6   n 6   ? 2   G ?   ?   ?   
G 3 ARG 7   n 7   ? 3   G ?   ?   ?   
G 3 GLY 8   n 8   ? 4   G ?   ?   ?   
G 3 LYS 9   n 9   ? 5   G ?   ?   ?   
G 3 GLN 10  n 10  ? 6   G ?   ?   ?   
G 3 GLY 11  n 11  ? 7   G ?   ?   ?   
G 3 GLY 12  n 12  ? 8   G ?   ?   ?   
G 3 LYS 13  n 13  ? 9   G ?   ?   ?   
G 3 ALA 14  n 14  ? 10  G ?   ?   ?   
G 3 ARG 15  n 15  ? 11  G ?   ?   ?   
G 3 ALA 16  n 16  ? 12  G ?   ?   ?   
G 3 LYS 17  n 17  ? 13  G ?   ?   ?   
G 3 ALA 18  n 18  ? 14  G ?   ?   ?   
G 3 LYS 19  n 19  ? 15  G LYS 15  LYS 
G 3 THR 20  n 20  ? 16  G THR 16  THR 
G 3 ARG 21  n 21  ? 17  G ARG 17  ARG 
G 3 SER 22  n 22  ? 18  G SER 18  SER 
G 3 SER 23  n 23  ? 19  G SER 19  SER 
G 3 ARG 24  n 24  ? 20  G ARG 20  ARG 
G 3 ALA 25  n 25  ? 21  G ALA 21  ALA 
G 3 GLY 26  n 26  ? 22  G GLY 22  GLY 
G 3 LEU 27  n 27  ? 23  G LEU 23  LEU 
G 3 GLN 28  n 28  ? 24  G GLN 24  GLN 
G 3 PHE 29  n 29  ? 25  G PHE 25  PHE 
G 3 PRO 30  n 30  ? 26  G PRO 26  PRO 
G 3 VAL 31  n 31  ? 27  G VAL 27  VAL 
G 3 GLY 32  n 32  ? 28  G GLY 28  GLY 
G 3 ARG 33  n 33  ? 29  G ARG 29  ARG 
G 3 VAL 34  n 34  ? 30  G VAL 30  VAL 
G 3 HIS 35  n 35  ? 31  G HIS 31  HIS 
G 3 ARG 36  n 36  ? 32  G ARG 32  ARG 
G 3 LEU 37  n 37  ? 33  G LEU 33  LEU 
G 3 LEU 38  n 38  ? 34  G LEU 34  LEU 
G 3 ARG 39  n 39  ? 35  G ARG 35  ARG 
G 3 LYS 40  n 40  ? 36  G LYS 36  LYS 
G 3 GLY 41  n 41  ? 37  G GLY 37  GLY 
G 3 ASN 42  n 42  ? 38  G ASN 38  ASN 
G 3 TYR 43  n 43  ? 39  G TYR 39  TYR 
G 3 SER 44  n 44  ? 40  G SER 40  SER 
G 3 GLU 45  n 45  ? 41  G GLU 41  GLU 
G 3 ARG 46  n 46  ? 42  G ARG 42  ARG 
G 3 VAL 47  n 47  ? 43  G VAL 43  VAL 
G 3 GLY 48  n 48  ? 44  G GLY 44  GLY 
G 3 ALA 49  n 49  ? 45  G ALA 45  ALA 
G 3 GLY 50  n 50  ? 46  G GLY 46  GLY 
G 3 ALA 51  n 51  ? 47  G ALA 47  ALA 
G 3 PRO 52  n 52  ? 48  G PRO 48  PRO 
G 3 VAL 53  n 53  ? 49  G VAL 49  VAL 
G 3 TYR 54  n 54  ? 50  G TYR 50  TYR 
G 3 LEU 55  n 55  ? 51  G LEU 51  LEU 
G 3 ALA 56  n 56  ? 52  G ALA 52  ALA 
G 3 ALA 57  n 57  ? 53  G ALA 53  ALA 
G 3 VAL 58  n 58  ? 54  G VAL 54  VAL 
G 3 LEU 59  n 59  ? 55  G LEU 55  LEU 
G 3 GLU 60  n 60  ? 56  G GLU 56  GLU 
G 3 TYR 61  n 61  ? 57  G TYR 57  TYR 
G 3 LEU 62  n 62  ? 58  G LEU 58  LEU 
G 3 THR 63  n 63  ? 59  G THR 59  THR 
G 3 ALA 64  n 64  ? 60  G ALA 60  ALA 
G 3 GLU 65  n 65  ? 61  G GLU 61  GLU 
G 3 ILE 66  n 66  ? 62  G ILE 62  ILE 
G 3 LEU 67  n 67  ? 63  G LEU 63  LEU 
G 3 GLU 68  n 68  ? 64  G GLU 64  GLU 
G 3 LEU 69  n 69  ? 65  G LEU 65  LEU 
G 3 ALA 70  n 70  ? 66  G ALA 66  ALA 
G 3 GLY 71  n 71  ? 67  G GLY 67  GLY 
G 3 ASN 72  n 72  ? 68  G ASN 68  ASN 
G 3 ALA 73  n 73  ? 69  G ALA 69  ALA 
G 3 ALA 74  n 74  ? 70  G ALA 70  ALA 
G 3 ARG 75  n 75  ? 71  G ARG 71  ARG 
G 3 ASP 76  n 76  ? 72  G ASP 72  ASP 
G 3 ASN 77  n 77  ? 73  G ASN 73  ASN 
G 3 LYS 78  n 78  ? 74  G LYS 74  LYS 
G 3 LYS 79  n 79  ? 75  G LYS 75  LYS 
G 3 THR 80  n 80  ? 76  G THR 76  THR 
G 3 ARG 81  n 81  ? 77  G ARG 77  ARG 
G 3 ILE 82  n 82  ? 78  G ILE 78  ILE 
G 3 ILE 83  n 83  ? 79  G ILE 79  ILE 
G 3 PRO 84  n 84  ? 80  G PRO 80  PRO 
G 3 ARG 85  n 85  ? 81  G ARG 81  ARG 
G 3 HIS 86  n 86  ? 82  G HIS 82  HIS 
G 3 LEU 87  n 87  ? 83  G LEU 83  LEU 
G 3 GLN 88  n 88  ? 84  G GLN 84  GLN 
G 3 LEU 89  n 89  ? 85  G LEU 85  LEU 
G 3 ALA 90  n 90  ? 86  G ALA 86  ALA 
G 3 ILE 91  n 91  ? 87  G ILE 87  ILE 
G 3 ARG 92  n 92  ? 88  G ARG 88  ARG 
G 3 ASN 93  n 93  ? 89  G ASN 89  ASN 
G 3 ASP 94  n 94  ? 90  G ASP 90  ASP 
G 3 GLU 95  n 95  ? 91  G GLU 91  GLU 
G 3 GLU 96  n 96  ? 92  G GLU 92  GLU 
G 3 LEU 97  n 97  ? 93  G LEU 93  LEU 
G 3 ASN 98  n 98  ? 94  G ASN 94  ASN 
G 3 LYS 99  n 99  ? 95  G LYS 95  LYS 
G 3 LEU 100 n 100 ? 96  G LEU 96  LEU 
G 3 LEU 101 n 101 ? 97  G LEU 97  LEU 
G 3 GLY 102 n 102 ? 98  G GLY 98  GLY 
G 3 ARG 103 n 103 ? 99  G ARG 99  ARG 
G 3 VAL 104 n 104 ? 100 G VAL 100 VAL 
G 3 THR 105 n 105 ? 101 G THR 101 THR 
G 3 ILE 106 n 106 ? 102 G ILE 102 ILE 
G 3 ALA 107 n 107 ? 103 G ALA 103 ALA 
G 3 GLN 108 n 108 ? 104 G GLN 104 GLN 
G 3 GLY 109 n 109 ? 105 G GLY 105 GLY 
G 3 GLY 110 n 110 ? 106 G GLY 106 GLY 
G 3 VAL 111 n 111 ? 107 G VAL 107 VAL 
G 3 LEU 112 n 112 ? 108 G LEU 108 LEU 
G 3 PRO 113 n 113 ? 109 G PRO 109 PRO 
G 3 ASN 114 n 114 ? 110 G ASN 110 ASN 
G 3 ILE 115 n 115 ? 111 G ILE 111 ILE 
G 3 GLN 116 n 116 ? 112 G GLN 112 GLN 
G 3 ALA 117 n 117 ? 113 G ALA 113 ALA 
G 3 VAL 118 n 118 ? 114 G VAL 114 VAL 
G 3 LEU 119 n 119 ? 115 G LEU 115 LEU 
G 3 LEU 120 n 120 ? 116 G LEU 116 LEU 
G 3 PRO 121 n 121 ? 117 G PRO 117 PRO 
G 3 LYS 122 n 122 ? 118 G LYS 118 LYS 
G 3 LYS 123 n 123 ? 119 G ?   ?   ?   
G 3 THR 124 n 124 ? 120 G ?   ?   ?   
G 3 GLU 125 n 125 ? 121 G ?   ?   ?   
G 3 SER 126 n 126 ? 122 G ?   ?   ?   
G 3 HIS 127 n 127 ? 123 G ?   ?   ?   
G 3 HIS 128 n 128 ? 124 G ?   ?   ?   
G 3 LYS 129 n 129 ? 125 G ?   ?   ?   
G 3 ALA 130 n 130 ? 126 G ?   ?   ?   
G 3 LYS 131 n 131 ? 127 G ?   ?   ?   
G 3 GLY 132 n 132 ? 128 G ?   ?   ?   
G 3 LYS 133 n 133 ? 129 G ?   ?   ?   
H 4 GLY 1   n 1   ? -3  H ?   ?   ?   
H 4 SER 2   n 2   ? -2  H ?   ?   ?   
H 4 HIS 3   n 3   ? -1  H ?   ?   ?   
H 4 MET 4   n 4   ? 0   H ?   ?   ?   
H 4 PRO 5   n 5   ? 1   H ?   ?   ?   
H 4 GLU 6   n 6   ? 2   H ?   ?   ?   
H 4 PRO 7   n 7   ? 3   H ?   ?   ?   
H 4 SER 8   n 8   ? 4   H ?   ?   ?   
H 4 ARG 9   n 9   ? 5   H ?   ?   ?   
H 4 SER 10  n 10  ? 6   H ?   ?   ?   
H 4 THR 11  n 11  ? 7   H ?   ?   ?   
H 4 PRO 12  n 12  ? 8   H ?   ?   ?   
H 4 ALA 13  n 13  ? 9   H ?   ?   ?   
H 4 PRO 14  n 14  ? 10  H ?   ?   ?   
H 4 LYS 15  n 15  ? 11  H ?   ?   ?   
H 4 LYS 16  n 16  ? 12  H ?   ?   ?   
H 4 GLY 17  n 17  ? 13  H ?   ?   ?   
H 4 SER 18  n 18  ? 14  H ?   ?   ?   
H 4 LYS 19  n 19  ? 15  H ?   ?   ?   
H 4 LYS 20  n 20  ? 16  H ?   ?   ?   
H 4 ALA 21  n 21  ? 17  H ?   ?   ?   
H 4 ILE 22  n 22  ? 18  H ?   ?   ?   
H 4 THR 23  n 23  ? 19  H ?   ?   ?   
H 4 LYS 24  n 24  ? 20  H ?   ?   ?   
H 4 ALA 25  n 25  ? 21  H ?   ?   ?   
H 4 GLN 26  n 26  ? 22  H ?   ?   ?   
H 4 LYS 27  n 27  ? 23  H ?   ?   ?   
H 4 LYS 28  n 28  ? 24  H ?   ?   ?   
H 4 ASP 29  n 29  ? 25  H ?   ?   ?   
H 4 GLY 30  n 30  ? 26  H ?   ?   ?   
H 4 LYS 31  n 31  ? 27  H ?   ?   ?   
H 4 LYS 32  n 32  ? 28  H ?   ?   ?   
H 4 ARG 33  n 33  ? 29  H ?   ?   ?   
H 4 LYS 34  n 34  ? 30  H ?   ?   ?   
H 4 ARG 35  n 35  ? 31  H ?   ?   ?   
H 4 GLY 36  n 36  ? 32  H ?   ?   ?   
H 4 ARG 37  n 37  ? 33  H ARG 33  ARG 
H 4 LYS 38  n 38  ? 34  H LYS 34  LYS 
H 4 GLU 39  n 39  ? 35  H GLU 35  GLU 
H 4 SER 40  n 40  ? 36  H SER 36  SER 
H 4 TYR 41  n 41  ? 37  H TYR 37  TYR 
H 4 SER 42  n 42  ? 38  H SER 38  SER 
H 4 ILE 43  n 43  ? 39  H ILE 39  ILE 
H 4 TYR 44  n 44  ? 40  H TYR 40  TYR 
H 4 VAL 45  n 45  ? 41  H VAL 41  VAL 
H 4 TYR 46  n 46  ? 42  H TYR 42  TYR 
H 4 LYS 47  n 47  ? 43  H LYS 43  LYS 
H 4 VAL 48  n 48  ? 44  H VAL 44  VAL 
H 4 LEU 49  n 49  ? 45  H LEU 45  LEU 
H 4 LYS 50  n 50  ? 46  H LYS 46  LYS 
H 4 GLN 51  n 51  ? 47  H GLN 47  GLN 
H 4 VAL 52  n 52  ? 48  H VAL 48  VAL 
H 4 HIS 53  n 53  ? 49  H HIS 49  HIS 
H 4 PRO 54  n 54  ? 50  H PRO 50  PRO 
H 4 ASP 55  n 55  ? 51  H ASP 51  ASP 
H 4 THR 56  n 56  ? 52  H THR 52  THR 
H 4 GLY 57  n 57  ? 53  H GLY 53  GLY 
H 4 ILE 58  n 58  ? 54  H ILE 54  ILE 
H 4 SER 59  n 59  ? 55  H SER 55  SER 
H 4 SER 60  n 60  ? 56  H SER 56  SER 
H 4 LYS 61  n 61  ? 57  H LYS 57  LYS 
H 4 ALA 62  n 62  ? 58  H ALA 58  ALA 
H 4 MET 63  n 63  ? 59  H MET 59  MET 
H 4 GLY 64  n 64  ? 60  H GLY 60  GLY 
H 4 ILE 65  n 65  ? 61  H ILE 61  ILE 
H 4 MET 66  n 66  ? 62  H MET 62  MET 
H 4 ASN 67  n 67  ? 63  H ASN 63  ASN 
H 4 SER 68  n 68  ? 64  H SER 64  SER 
H 4 PHE 69  n 69  ? 65  H PHE 65  PHE 
H 4 VAL 70  n 70  ? 66  H VAL 66  VAL 
H 4 ASN 71  n 71  ? 67  H ASN 67  ASN 
H 4 ASP 72  n 72  ? 68  H ASP 68  ASP 
H 4 ILE 73  n 73  ? 69  H ILE 69  ILE 
H 4 PHE 74  n 74  ? 70  H PHE 70  PHE 
H 4 GLU 75  n 75  ? 71  H GLU 71  GLU 
H 4 ARG 76  n 76  ? 72  H ARG 72  ARG 
H 4 ILE 77  n 77  ? 73  H ILE 73  ILE 
H 4 ALA 78  n 78  ? 74  H ALA 74  ALA 
H 4 SER 79  n 79  ? 75  H SER 75  SER 
H 4 GLU 80  n 80  ? 76  H GLU 76  GLU 
H 4 ALA 81  n 81  ? 77  H ALA 77  ALA 
H 4 SER 82  n 82  ? 78  H SER 78  SER 
H 4 ARG 83  n 83  ? 79  H ARG 79  ARG 
H 4 LEU 84  n 84  ? 80  H LEU 80  LEU 
H 4 ALA 85  n 85  ? 81  H ALA 81  ALA 
H 4 HIS 86  n 86  ? 82  H HIS 82  HIS 
H 4 TYR 87  n 87  ? 83  H TYR 83  TYR 
H 4 ASN 88  n 88  ? 84  H ASN 84  ASN 
H 4 LYS 89  n 89  ? 85  H LYS 85  LYS 
H 4 ARG 90  n 90  ? 86  H ARG 86  ARG 
H 4 SER 91  n 91  ? 87  H SER 87  SER 
H 4 THR 92  n 92  ? 88  H THR 88  THR 
H 4 ILE 93  n 93  ? 89  H ILE 89  ILE 
H 4 THR 94  n 94  ? 90  H THR 90  THR 
H 4 SER 95  n 95  ? 91  H SER 91  SER 
H 4 ARG 96  n 96  ? 92  H ARG 92  ARG 
H 4 GLU 97  n 97  ? 93  H GLU 93  GLU 
H 4 VAL 98  n 98  ? 94  H VAL 94  VAL 
H 4 GLN 99  n 99  ? 95  H GLN 95  GLN 
H 4 THR 100 n 100 ? 96  H THR 96  THR 
H 4 ALA 101 n 101 ? 97  H ALA 97  ALA 
H 4 VAL 102 n 102 ? 98  H VAL 98  VAL 
H 4 ARG 103 n 103 ? 99  H ARG 99  ARG 
H 4 LEU 104 n 104 ? 100 H LEU 100 LEU 
H 4 LEU 105 n 105 ? 101 H LEU 101 LEU 
H 4 LEU 106 n 106 ? 102 H LEU 102 LEU 
H 4 PRO 107 n 107 ? 103 H PRO 103 PRO 
H 4 GLY 108 n 108 ? 104 H GLY 104 GLY 
H 4 GLU 109 n 109 ? 105 H GLU 105 GLU 
H 4 LEU 110 n 110 ? 106 H LEU 106 LEU 
H 4 ALA 111 n 111 ? 107 H ALA 107 ALA 
H 4 LYS 112 n 112 ? 108 H LYS 108 LYS 
H 4 HIS 113 n 113 ? 109 H HIS 109 HIS 
H 4 ALA 114 n 114 ? 110 H ALA 110 ALA 
H 4 VAL 115 n 115 ? 111 H VAL 111 VAL 
H 4 SER 116 n 116 ? 112 H SER 112 SER 
H 4 GLU 117 n 117 ? 113 H GLU 113 GLU 
H 4 GLY 118 n 118 ? 114 H GLY 114 GLY 
H 4 THR 119 n 119 ? 115 H THR 115 THR 
H 4 LYS 120 n 120 ? 116 H LYS 116 LYS 
H 4 ALA 121 n 121 ? 117 H ALA 117 ALA 
H 4 VAL 122 n 122 ? 118 H VAL 118 VAL 
H 4 THR 123 n 123 ? 119 H THR 119 THR 
H 4 LYS 124 n 124 ? 120 H LYS 120 LYS 
H 4 TYR 125 n 125 ? 121 H TYR 121 TYR 
H 4 THR 126 n 126 ? 122 H THR 122 THR 
H 4 SER 127 n 127 ? 123 H SER 123 SER 
H 4 SER 128 n 128 ? 124 H SER 124 SER 
H 4 LYS 129 n 129 ? 125 H ?   ?   ?   
I 5 DA  1   n 1   ? 1   I ?   ?   ?   
I 5 DT  2   n 2   ? 2   I DT  2   DT  
I 5 DC  3   n 3   ? 3   I DC  3   DC  
I 5 DA  4   n 4   ? 4   I DA  4   DA  
I 5 DA  5   n 5   ? 5   I DA  5   DA  
I 5 DT  6   n 6   ? 6   I DT  6   DT  
I 5 DA  7   n 7   ? 7   I DA  7   DA  
I 5 DT  8   n 8   ? 8   I DT  8   DT  
I 5 DC  9   n 9   ? 9   I DC  9   DC  
I 5 DC  10  n 10  ? 10  I DC  10  DC  
I 5 DA  11  n 11  ? 11  I DA  11  DA  
I 5 DC  12  n 12  ? 12  I DC  12  DC  
I 5 DC  13  n 13  ? 13  I DC  13  DC  
I 5 DT  14  n 14  ? 14  I DT  14  DT  
I 5 DG  15  n 15  ? 15  I DG  15  DG  
I 5 DC  16  n 16  ? 16  I DC  16  DC  
I 5 DA  17  n 17  ? 17  I DA  17  DA  
I 5 DG  18  n 18  ? 18  I DG  18  DG  
I 5 DA  19  n 19  ? 19  I DA  19  DA  
I 5 DT  20  n 20  ? 20  I DT  20  DT  
I 5 DT  21  n 21  ? 21  I DT  21  DT  
I 5 DC  22  n 22  ? 22  I DC  22  DC  
I 5 DT  23  n 23  ? 23  I DT  23  DT  
I 5 DA  24  n 24  ? 24  I DA  24  DA  
I 5 DC  25  n 25  ? 25  I DC  25  DC  
I 5 DC  26  n 26  ? 26  I DC  26  DC  
I 5 DA  27  n 27  ? 27  I DA  27  DA  
I 5 DA  28  n 28  ? 28  I DA  28  DA  
I 5 DA  29  n 29  ? 29  I DA  29  DA  
I 5 DA  30  n 30  ? 30  I DA  30  DA  
I 5 DG  31  n 31  ? 31  I DG  31  DG  
I 5 DT  32  n 32  ? 32  I DT  32  DT  
I 5 DG  33  n 33  ? 33  I DG  33  DG  
I 5 DT  34  n 34  ? 34  I DT  34  DT  
I 5 DA  35  n 35  ? 35  I DA  35  DA  
I 5 DT  36  n 36  ? 36  I DT  36  DT  
I 5 DT  37  n 37  ? 37  I DT  37  DT  
I 5 DT  38  n 38  ? 38  I DT  38  DT  
I 5 DG  39  n 39  ? 39  I DG  39  DG  
I 5 DG  40  n 40  ? 40  I DG  40  DG  
I 5 DA  41  n 41  ? 41  I DA  41  DA  
I 5 DA  42  n 42  ? 42  I DA  42  DA  
I 5 DA  43  n 43  ? 43  I DA  43  DA  
I 5 DC  44  n 44  ? 44  I DC  44  DC  
I 5 DT  45  n 45  ? 45  I DT  45  DT  
I 5 DG  46  n 46  ? 46  I DG  46  DG  
I 5 DC  47  n 47  ? 47  I DC  47  DC  
I 5 DT  48  n 48  ? 48  I DT  48  DT  
I 5 DC  49  n 49  ? 49  I DC  49  DC  
I 5 DC  50  n 50  ? 50  I DC  50  DC  
I 5 DA  51  n 51  ? 51  I DA  51  DA  
I 5 DT  52  n 52  ? 52  I DT  52  DT  
I 5 DC  53  n 53  ? 53  I DC  53  DC  
I 5 DA  54  n 54  ? 54  I DA  54  DA  
I 5 DA  55  n 55  ? 55  I DA  55  DA  
I 5 DA  56  n 56  ? 56  I DA  56  DA  
I 5 DA  57  n 57  ? 57  I DA  57  DA  
I 5 DG  58  n 58  ? 58  I DG  58  DG  
I 5 DG  59  n 59  ? 59  I DG  59  DG  
I 5 DC  60  n 60  ? 60  I DC  60  DC  
I 5 DA  61  n 61  ? 61  I DA  61  DA  
I 5 DT  62  n 62  ? 62  I DT  62  DT  
I 5 DG  63  n 63  ? 63  I DG  63  DG  
I 5 DT  64  n 64  ? 64  I DT  64  DT  
I 5 DT  65  n 65  ? 65  I DT  65  DT  
I 5 DC  66  n 66  ? 66  I DC  66  DC  
I 5 DA  67  n 67  ? 67  I DA  67  DA  
I 5 DG  68  n 68  ? 68  I DG  68  DG  
I 5 DC  69  n 69  ? 69  I DC  69  DC  
I 5 DT  70  n 70  ? 70  I DT  70  DT  
I 5 DG  71  n 71  ? 71  I DG  71  DG  
I 5 DA  72  n 72  ? 72  I DA  72  DA  
I 5 DA  73  n 73  ? 73  I DA  73  DA  
I 5 DT  74  n 74  ? 74  I DT  74  DT  
I 5 DT  75  n 75  ? 75  I DT  75  DT  
I 5 DC  76  n 76  ? 76  I DC  76  DC  
I 5 DA  77  n 77  ? 77  I DA  77  DA  
I 5 DG  78  n 78  ? 78  I DG  78  DG  
I 5 DC  79  n 79  ? 79  I DC  79  DC  
I 5 DT  80  n 80  ? 80  I DT  80  DT  
I 5 DG  81  n 81  ? 81  I DG  81  DG  
I 5 DA  82  n 82  ? 82  I DA  82  DA  
I 5 DA  83  n 83  ? 83  I DA  83  DA  
I 5 DC  84  n 84  ? 84  I DC  84  DC  
I 5 DA  85  n 85  ? 85  I DA  85  DA  
I 5 DT  86  n 86  ? 86  I DT  86  DT  
I 5 DG  87  n 87  ? 87  I DG  87  DG  
I 5 DC  88  n 88  ? 88  I DC  88  DC  
I 5 DC  89  n 89  ? 89  I DC  89  DC  
I 5 DT  90  n 90  ? 90  I DT  90  DT  
I 5 DT  91  n 91  ? 91  I DT  91  DT  
I 5 DT  92  n 92  ? 92  I DT  92  DT  
I 5 DT  93  n 93  ? 93  I DT  93  DT  
I 5 DG  94  n 94  ? 94  I DG  94  DG  
I 5 DA  95  n 95  ? 95  I DA  95  DA  
I 5 DT  96  n 96  ? 96  I DT  96  DT  
I 5 DG  97  n 97  ? 97  I DG  97  DG  
I 5 DG  98  n 98  ? 98  I DG  98  DG  
I 5 DA  99  n 99  ? 99  I DA  99  DA  
I 5 DG  100 n 100 ? 100 I DG  100 DG  
I 5 DC  101 n 101 ? 101 I DC  101 DC  
I 5 DA  102 n 102 ? 102 I DA  102 DA  
I 5 DG  103 n 103 ? 103 I DG  103 DG  
I 5 DT  104 n 104 ? 104 I DT  104 DT  
I 5 DT  105 n 105 ? 105 I DT  105 DT  
I 5 DT  106 n 106 ? 106 I DT  106 DT  
I 5 DC  107 n 107 ? 107 I DC  107 DC  
I 5 DC  108 n 108 ? 108 I DC  108 DC  
I 5 DA  109 n 109 ? 109 I DA  109 DA  
I 5 DA  110 n 110 ? 110 I DA  110 DA  
I 5 DA  111 n 111 ? 111 I DA  111 DA  
I 5 DT  112 n 112 ? 112 I DT  112 DT  
I 5 DA  113 n 113 ? 113 I DA  113 DA  
I 5 DC  114 n 114 ? 114 I DC  114 DC  
I 5 DA  115 n 115 ? 115 I DA  115 DA  
I 5 DC  116 n 116 ? 116 I DC  116 DC  
I 5 DT  117 n 117 ? 117 I DT  117 DT  
I 5 DT  118 n 118 ? 118 I DT  118 DT  
I 5 DT  119 n 119 ? 119 I DT  119 DT  
I 5 DT  120 n 120 ? 120 I DT  120 DT  
I 5 DG  121 n 121 ? 121 I DG  121 DG  
I 5 DG  122 n 122 ? 122 I DG  122 DG  
I 5 DT  123 n 123 ? 123 I DT  123 DT  
I 5 DA  124 n 124 ? 124 I DA  124 DA  
I 5 DG  125 n 125 ? 125 I DG  125 DG  
I 5 DA  126 n 126 ? 126 I DA  126 DA  
I 5 DA  127 n 127 ? 127 I DA  127 DA  
I 5 DT  128 n 128 ? 128 I DT  128 DT  
I 5 DC  129 n 129 ? 129 I DC  129 DC  
I 5 DT  130 n 130 ? 130 I DT  130 DT  
I 5 DG  131 n 131 ? 131 I DG  131 DG  
I 5 DC  132 n 132 ? 132 I DC  132 DC  
I 5 DA  133 n 133 ? 133 I DA  133 DA  
I 5 DG  134 n 134 ? 134 I DG  134 DG  
I 5 DG  135 n 135 ? 135 I DG  135 DG  
I 5 DT  136 n 136 ? 136 I DT  136 DT  
I 5 DG  137 n 137 ? 137 I DG  137 DG  
I 5 DG  138 n 138 ? 138 I DG  138 DG  
I 5 DA  139 n 139 ? 139 I DA  139 DA  
I 5 DT  140 n 140 ? 140 I DT  140 DT  
I 5 DA  141 n 141 ? 141 I DA  141 DA  
I 5 DT  142 n 142 ? 142 I DT  142 DT  
I 5 DT  143 n 143 ? 143 I DT  143 DT  
I 5 DG  144 n 144 ? 144 I DG  144 DG  
I 5 DA  145 n 145 ? 145 I DA  145 DA  
I 5 DT  146 n 146 ? 146 I DT  146 DT  
J 5 DA  1   n 1   ? 147 J DA  147 DA  
J 5 DT  2   n 2   ? 148 J DT  148 DT  
J 5 DC  3   n 3   ? 149 J DC  149 DC  
J 5 DA  4   n 4   ? 150 J DA  150 DA  
J 5 DA  5   n 5   ? 151 J DA  151 DA  
J 5 DT  6   n 6   ? 152 J DT  152 DT  
J 5 DA  7   n 7   ? 153 J DA  153 DA  
J 5 DT  8   n 8   ? 154 J DT  154 DT  
J 5 DC  9   n 9   ? 155 J DC  155 DC  
J 5 DC  10  n 10  ? 156 J DC  156 DC  
J 5 DA  11  n 11  ? 157 J DA  157 DA  
J 5 DC  12  n 12  ? 158 J DC  158 DC  
J 5 DC  13  n 13  ? 159 J DC  159 DC  
J 5 DT  14  n 14  ? 160 J DT  160 DT  
J 5 DG  15  n 15  ? 161 J DG  161 DG  
J 5 DC  16  n 16  ? 162 J DC  162 DC  
J 5 DA  17  n 17  ? 163 J DA  163 DA  
J 5 DG  18  n 18  ? 164 J DG  164 DG  
J 5 DA  19  n 19  ? 165 J DA  165 DA  
J 5 DT  20  n 20  ? 166 J DT  166 DT  
J 5 DT  21  n 21  ? 167 J DT  167 DT  
J 5 DC  22  n 22  ? 168 J DC  168 DC  
J 5 DT  23  n 23  ? 169 J DT  169 DT  
J 5 DA  24  n 24  ? 170 J DA  170 DA  
J 5 DC  25  n 25  ? 171 J DC  171 DC  
J 5 DC  26  n 26  ? 172 J DC  172 DC  
J 5 DA  27  n 27  ? 173 J DA  173 DA  
J 5 DA  28  n 28  ? 174 J DA  174 DA  
J 5 DA  29  n 29  ? 175 J DA  175 DA  
J 5 DA  30  n 30  ? 176 J DA  176 DA  
J 5 DG  31  n 31  ? 177 J DG  177 DG  
J 5 DT  32  n 32  ? 178 J DT  178 DT  
J 5 DG  33  n 33  ? 179 J DG  179 DG  
J 5 DT  34  n 34  ? 180 J DT  180 DT  
J 5 DA  35  n 35  ? 181 J DA  181 DA  
J 5 DT  36  n 36  ? 182 J DT  182 DT  
J 5 DT  37  n 37  ? 183 J DT  183 DT  
J 5 DT  38  n 38  ? 184 J DT  184 DT  
J 5 DG  39  n 39  ? 185 J DG  185 DG  
J 5 DG  40  n 40  ? 186 J DG  186 DG  
J 5 DA  41  n 41  ? 187 J DA  187 DA  
J 5 DA  42  n 42  ? 188 J DA  188 DA  
J 5 DA  43  n 43  ? 189 J DA  189 DA  
J 5 DC  44  n 44  ? 190 J DC  190 DC  
J 5 DT  45  n 45  ? 191 J DT  191 DT  
J 5 DG  46  n 46  ? 192 J DG  192 DG  
J 5 DC  47  n 47  ? 193 J DC  193 DC  
J 5 DT  48  n 48  ? 194 J DT  194 DT  
J 5 DC  49  n 49  ? 195 J DC  195 DC  
J 5 DC  50  n 50  ? 196 J DC  196 DC  
J 5 DA  51  n 51  ? 197 J DA  197 DA  
J 5 DT  52  n 52  ? 198 J DT  198 DT  
J 5 DC  53  n 53  ? 199 J DC  199 DC  
J 5 DA  54  n 54  ? 200 J DA  200 DA  
J 5 DA  55  n 55  ? 201 J DA  201 DA  
J 5 DA  56  n 56  ? 202 J DA  202 DA  
J 5 DA  57  n 57  ? 203 J DA  203 DA  
J 5 DG  58  n 58  ? 204 J DG  204 DG  
J 5 DG  59  n 59  ? 205 J DG  205 DG  
J 5 DC  60  n 60  ? 206 J DC  206 DC  
J 5 DA  61  n 61  ? 207 J DA  207 DA  
J 5 DT  62  n 62  ? 208 J DT  208 DT  
J 5 DG  63  n 63  ? 209 J DG  209 DG  
J 5 DT  64  n 64  ? 210 J DT  210 DT  
J 5 DT  65  n 65  ? 211 J DT  211 DT  
J 5 DC  66  n 66  ? 212 J DC  212 DC  
J 5 DA  67  n 67  ? 213 J DA  213 DA  
J 5 DG  68  n 68  ? 214 J DG  214 DG  
J 5 DC  69  n 69  ? 215 J DC  215 DC  
J 5 DT  70  n 70  ? 216 J DT  216 DT  
J 5 DG  71  n 71  ? 217 J DG  217 DG  
J 5 DA  72  n 72  ? 218 J DA  218 DA  
J 5 DA  73  n 73  ? 219 J DA  219 DA  
J 5 DT  74  n 74  ? 220 J DT  220 DT  
J 5 DT  75  n 75  ? 221 J DT  221 DT  
J 5 DC  76  n 76  ? 222 J DC  222 DC  
J 5 DA  77  n 77  ? 223 J DA  223 DA  
J 5 DG  78  n 78  ? 224 J DG  224 DG  
J 5 DC  79  n 79  ? 225 J DC  225 DC  
J 5 DT  80  n 80  ? 226 J DT  226 DT  
J 5 DG  81  n 81  ? 227 J DG  227 DG  
J 5 DA  82  n 82  ? 228 J DA  228 DA  
J 5 DA  83  n 83  ? 229 J DA  229 DA  
J 5 DC  84  n 84  ? 230 J DC  230 DC  
J 5 DA  85  n 85  ? 231 J DA  231 DA  
J 5 DT  86  n 86  ? 232 J DT  232 DT  
J 5 DG  87  n 87  ? 233 J DG  233 DG  
J 5 DC  88  n 88  ? 234 J DC  234 DC  
J 5 DC  89  n 89  ? 235 J DC  235 DC  
J 5 DT  90  n 90  ? 236 J DT  236 DT  
J 5 DT  91  n 91  ? 237 J DT  237 DT  
J 5 DT  92  n 92  ? 238 J DT  238 DT  
J 5 DT  93  n 93  ? 239 J DT  239 DT  
J 5 DG  94  n 94  ? 240 J DG  240 DG  
J 5 DA  95  n 95  ? 241 J DA  241 DA  
J 5 DT  96  n 96  ? 242 J DT  242 DT  
J 5 DG  97  n 97  ? 243 J DG  243 DG  
J 5 DG  98  n 98  ? 244 J DG  244 DG  
J 5 DA  99  n 99  ? 245 J DA  245 DA  
J 5 DG  100 n 100 ? 246 J DG  246 DG  
J 5 DC  101 n 101 ? 247 J DC  247 DC  
J 5 DA  102 n 102 ? 248 J DA  248 DA  
J 5 DG  103 n 103 ? 249 J DG  249 DG  
J 5 DT  104 n 104 ? 250 J DT  250 DT  
J 5 DT  105 n 105 ? 251 J DT  251 DT  
J 5 DT  106 n 106 ? 252 J DT  252 DT  
J 5 DC  107 n 107 ? 253 J DC  253 DC  
J 5 DC  108 n 108 ? 254 J DC  254 DC  
J 5 DA  109 n 109 ? 255 J DA  255 DA  
J 5 DA  110 n 110 ? 256 J DA  256 DA  
J 5 DA  111 n 111 ? 257 J DA  257 DA  
J 5 DT  112 n 112 ? 258 J DT  258 DT  
J 5 DA  113 n 113 ? 259 J DA  259 DA  
J 5 DC  114 n 114 ? 260 J DC  260 DC  
J 5 DA  115 n 115 ? 261 J DA  261 DA  
J 5 DC  116 n 116 ? 262 J DC  262 DC  
J 5 DT  117 n 117 ? 263 J DT  263 DT  
J 5 DT  118 n 118 ? 264 J DT  264 DT  
J 5 DT  119 n 119 ? 265 J DT  265 DT  
J 5 DT  120 n 120 ? 266 J DT  266 DT  
J 5 DG  121 n 121 ? 267 J DG  267 DG  
J 5 DG  122 n 122 ? 268 J DG  268 DG  
J 5 DT  123 n 123 ? 269 J DT  269 DT  
J 5 DA  124 n 124 ? 270 J DA  270 DA  
J 5 DG  125 n 125 ? 271 J DG  271 DG  
J 5 DA  126 n 126 ? 272 J DA  272 DA  
J 5 DA  127 n 127 ? 273 J DA  273 DA  
J 5 DT  128 n 128 ? 274 J DT  274 DT  
J 5 DC  129 n 129 ? 275 J DC  275 DC  
J 5 DT  130 n 130 ? 276 J DT  276 DT  
J 5 DG  131 n 131 ? 277 J DG  277 DG  
J 5 DC  132 n 132 ? 278 J DC  278 DC  
J 5 DA  133 n 133 ? 279 J DA  279 DA  
J 5 DG  134 n 134 ? 280 J DG  280 DG  
J 5 DG  135 n 135 ? 281 J DG  281 DG  
J 5 DT  136 n 136 ? 282 J DT  282 DT  
J 5 DG  137 n 137 ? 283 J DG  283 DG  
J 5 DG  138 n 138 ? 284 J DG  284 DG  
J 5 DA  139 n 139 ? 285 J DA  285 DA  
J 5 DT  140 n 140 ? 286 J DT  286 DT  
J 5 DA  141 n 141 ? 287 J DA  287 DA  
J 5 DT  142 n 142 ? 288 J DT  288 DT  
J 5 DT  143 n 143 ? 289 J DT  289 DT  
J 5 DG  144 n 144 ? 290 J DG  290 DG  
J 5 DA  145 n 145 ? 291 J DA  291 DA  
J 5 DT  146 n 146 ? 292 J ?   ?   ?   
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_count     10 
_pdbx_struct_assembly.oligomeric_details   decameric 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.asym_id_list      
;A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,KA
;
_pdbx_struct_assembly_gen.oper_expression   1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
1 'ABSA (A^2)' 59140 
1 MORE         -506  
1 'SSA (A^2)'  70960 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
1  D VAL 48  D  O   VAL 52  1_555 D MN 301 M MN MN ? 1_555 C HOH 409 DA O   
HOH ?  1_555 84.4  
2  D VAL 48  D  O   VAL 52  1_555 D MN 301 M MN MN ? 1_555 D HOH 402 EA O   
HOH ?  1_555 84.0  
3  C HOH 409 DA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 D HOH 402 EA O   
HOH ?  1_555 163.7 
4  D VAL 48  D  O   VAL 52  1_555 D MN 301 M MN MN ? 1_555 D HOH 409 EA O   
HOH ?  1_555 89.7  
5  C HOH 409 DA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 D HOH 409 EA O   
HOH ?  1_555 78.9  
6  D HOH 402 EA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 D HOH 409 EA O   
HOH ?  1_555 89.5  
7  D VAL 48  D  O   VAL 52  1_555 D MN 301 M MN MN ? 1_555 E ASP 77  E  OD1 
ASP 81 1_555 32.2  
8  C HOH 409 DA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 E ASP 77  E  OD1 
ASP 81 1_555 58.7  
9  D HOH 402 EA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 E ASP 77  E  OD1 
ASP 81 1_555 106.2 
10 D HOH 409 EA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 E ASP 77  E  OD1 
ASP 81 1_555 67.4  
11 D VAL 48  D  O   VAL 52  1_555 D MN 301 M MN MN ? 1_555 E HOH 412 FA O   
HOH ?  3_555 171.1 
12 C HOH 409 DA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 E HOH 412 FA O   
HOH ?  3_555 97.3  
13 D HOH 402 EA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 E HOH 412 FA O   
HOH ?  3_555 92.4  
14 D HOH 409 EA O   HOH ?   1_555 D MN 301 M MN MN ? 1_555 E HOH 412 FA O   
HOH ?  3_555 82.1  
15 E ASP 77  E  OD1 ASP 81  1_555 D MN 301 M MN MN ? 1_555 E HOH 412 FA O   
HOH ?  3_555 143.6 
16 I DG  68  I  O6  DG  68  1_555 I MN 304 S MN MN ? 1_555 I HOH 409 JA O   
HOH ?  1_555 90.9  
17 I DG  68  I  O6  DG  68  1_555 I MN 304 S MN MN ? 1_555 J HOH 517 KA O   
HOH ?  1_555 84.3  
18 I HOH 409 JA O   HOH ?   1_555 I MN 304 S MN MN ? 1_555 J HOH 517 KA O   
HOH ?  1_555 173.6 
19 I DG  121 I  N7  DG  121 1_555 I MN 301 P MN MN ? 1_555 I HOH 435 JA O   
HOH ?  1_555 86.6  
20 I DG  121 I  N7  DG  121 1_555 I MN 301 P MN MN ? 1_555 I HOH 406 JA O   
HOH ?  1_555 73.5  
21 I HOH 435 JA O   HOH ?   1_555 I MN 301 P MN MN ? 1_555 I HOH 406 JA O   
HOH ?  1_555 65.0  
22 I DG  134 I  N7  DG  134 1_555 I MN 303 R MN MN ? 1_555 I HOH 432 JA O   
HOH ?  1_555 91.1  
23 J DT  183 J  OP1 DT  37  1_555 J MN 404 Y MN MN ? 1_555 J HOH 541 KA O   
HOH ?  4_545 112.1 
24 J DG  185 J  N7  DG  39  1_555 J MN 402 W MN MN ? 1_555 J DG  186 J  O6  DG 
40 1_555 83.3  
25 J DG  185 J  N7  DG  39  1_555 J MN 402 W MN MN ? 1_555 J HOH 531 KA O   
HOH ?  1_555 81.3  
26 J DG  186 J  O6  DG  40  1_555 J MN 402 W MN MN ? 1_555 J HOH 531 KA O   
HOH ?  1_555 106.1 
27 J DG  185 J  N7  DG  39  1_555 J MN 402 W MN MN ? 1_555 J HOH 530 KA O   
HOH ?  1_555 95.1  
28 J DG  186 J  O6  DG  40  1_555 J MN 402 W MN MN ? 1_555 J HOH 530 KA O   
HOH ?  1_555 175.4 
29 J HOH 531 KA O   HOH ?   1_555 J MN 402 W MN MN ? 1_555 J HOH 530 KA O   
HOH ?  1_555 77.8  
30 J DG  185 J  N7  DG  39  1_555 J MN 402 W MN MN ? 1_555 J HOH 522 KA O   
HOH ?  1_555 91.2  
31 J DG  186 J  O6  DG  40  1_555 J MN 402 W MN MN ? 1_555 J HOH 522 KA O   
HOH ?  1_555 89.8  
32 J HOH 531 KA O   HOH ?   1_555 J MN 402 W MN MN ? 1_555 J HOH 522 KA O   
HOH ?  1_555 161.4 
33 J HOH 530 KA O   HOH ?   1_555 J MN 402 W MN MN ? 1_555 J HOH 522 KA O   
HOH ?  1_555 86.0  
34 J DG  217 J  N7  DG  71  1_555 J MN 405 Z MN MN ? 1_555 J HOH 502 KA O   
HOH ?  1_555 76.9  
35 J DG  267 J  N7  DG  121 1_555 J MN 401 V MN MN ? 1_555 J HOH 532 KA O   
HOH ?  1_555 85.4  
36 J DG  267 J  N7  DG  121 1_555 J MN 401 V MN MN ? 1_555 J HOH 545 KA O   
HOH ?  1_555 154.7 
37 J HOH 532 KA O   HOH ?   1_555 J MN 401 V MN MN ? 1_555 J HOH 545 KA O   
HOH ?  1_555 78.6  
38 J DG  267 J  N7  DG  121 1_555 J MN 401 V MN MN ? 1_555 J HOH 505 KA O   
HOH ?  1_555 84.0  
39 J HOH 532 KA O   HOH ?   1_555 J MN 401 V MN MN ? 1_555 J HOH 505 KA O   
HOH ?  1_555 160.3 
40 J HOH 545 KA O   HOH ?   1_555 J MN 401 V MN MN ? 1_555 J HOH 505 KA O   
HOH ?  1_555 105.0 
41 J DG  267 J  N7  DG  121 1_555 J MN 401 V MN MN ? 1_555 J HOH 537 KA O   
HOH ?  1_555 106.9 
42 J HOH 532 KA O   HOH ?   1_555 J MN 401 V MN MN ? 1_555 J HOH 537 KA O   
HOH ?  1_555 96.9  
43 J HOH 545 KA O   HOH ?   1_555 J MN 401 V MN MN ? 1_555 J HOH 537 KA O   
HOH ?  1_555 94.4  
44 J HOH 505 KA O   HOH ?   1_555 J MN 401 V MN MN ? 1_555 J HOH 537 KA O   
HOH ?  1_555 102.0 
45 J DG  280 J  N7  DG  134 1_555 J MN 403 X MN MN ? 1_555 J HOH 519 KA O   
HOH ?  1_555 97.9  
46 J DG  280 J  N7  DG  134 1_555 J MN 403 X MN MN ? 1_555 J HOH 544 KA O   
HOH ?  1_555 168.5 
47 J HOH 519 KA O   HOH ?   1_555 J MN 403 X MN MN ? 1_555 J HOH 544 KA O   
HOH ?  1_555 71.3  
48 I HOH 419 JA O   HOH ?   1_555 I MN 305 T MN MN ? 1_555 J HOH 540 KA O   
HOH ?  1_555 170.3 
49 I HOH 441 JA O   HOH ?   4_445 I MN 302 Q MN MN ? 1_555 J HOH 511 KA O   
HOH ?  4_445 98.9  
50 I HOH 441 JA O   HOH ?   4_445 I MN 302 Q MN MN ? 1_555 J HOH 538 KA O   
HOH ?  4_445 177.3 
51 J HOH 511 KA O   HOH ?   4_445 I MN 302 Q MN MN ? 1_555 J HOH 538 KA O   
HOH ?  4_445 78.9  
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
1 2 AA1 A N ARG 83  A N ARG 87  B O VAL 81  B O VAL 85  
1 2 AA2 A N ILE 119 A N ILE 123 B O ARG 45  B O ARG 49  
1 2 AA3 B N TYR 98  B N TYR 102 G O THR 101 G O THR 105 
1 2 AA4 C N ARG 42  C N ARG 46  D O ILE 89  D O ILE 93  
1 2 AA5 C N ILE 78  C N ILE 82  D O GLY 53  D O GLY 57  
1 2 AA6 C N THR 101 C N THR 105 F O TYR 98  F O TYR 102 
1 2 AA7 E N ARG 83  E N ARG 87  F O VAL 81  F O VAL 85  
1 2 AA8 E N ILE 119 E N ILE 123 F O ARG 45  F O ARG 49  
1 2 AA9 G N ARG 42  G N ARG 46  H O ILE 89  H O ILE 93  
1 2 AB1 G N ILE 78  G N ILE 82  H O GLY 53  H O GLY 57  
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
1   1 A GLY -3  A GLY 1   1 Y 
2   1 A SER -2  A SER 2   1 Y 
3   1 A HIS -1  A HIS 3   1 Y 
4   1 A MET 0   A MET 4   1 Y 
5   1 A ALA 1   A ALA 5   1 Y 
6   1 A ARG 2   A ARG 6   1 Y 
7   1 A THR 3   A THR 7   1 Y 
8   1 A LYS 4   A LYS 8   1 Y 
9   1 A GLN 5   A GLN 9   1 Y 
10  1 A THR 6   A THR 10  1 Y 
11  1 A ALA 7   A ALA 11  1 Y 
12  1 A ARG 8   A ARG 12  1 Y 
13  1 A LYS 9   A LYS 13  1 Y 
14  1 A SER 10  A SER 14  1 Y 
15  1 A THR 11  A THR 15  1 Y 
16  1 A GLY 12  A GLY 16  1 Y 
17  1 A GLY 13  A GLY 17  1 Y 
18  1 A LYS 14  A LYS 18  1 Y 
19  1 A ALA 15  A ALA 19  1 Y 
20  1 A PRO 16  A PRO 20  1 Y 
21  1 A ARG 17  A ARG 21  1 Y 
22  1 A LYS 18  A LYS 22  1 Y 
23  1 A GLN 19  A GLN 23  1 Y 
24  1 A LEU 20  A LEU 24  1 Y 
25  1 A ALA 21  A ALA 25  1 Y 
26  1 A THR 22  A THR 26  1 Y 
27  1 A LYS 23  A LYS 27  1 Y 
28  1 A VAL 24  A VAL 28  1 Y 
29  1 A ALA 25  A ALA 29  1 Y 
30  1 A ARG 26  A ARG 30  1 Y 
31  1 A LYS 27  A LYS 31  1 Y 
32  1 A SER 28  A SER 32  1 Y 
33  1 A ALA 29  A ALA 33  1 Y 
34  1 A PRO 30  A PRO 34  1 Y 
35  1 A ALA 31  A ALA 35  1 Y 
36  1 A THR 32  A THR 36  1 Y 
37  1 A GLY 33  A GLY 37  1 Y 
38  1 A GLY 34  A GLY 38  1 Y 
39  1 A VAL 35  A VAL 39  1 Y 
40  1 A LYS 36  A LYS 40  1 Y 
41  1 A LYS 37  A LYS 41  1 Y 
42  1 A ALA 135 A ALA 139 1 Y 
43  1 B GLY -3  B GLY 1   1 Y 
44  1 B SER -2  B SER 2   1 Y 
45  1 B HIS -1  B HIS 3   1 Y 
46  1 B MET 0   B MET 4   1 Y 
47  1 B SER 1   B SER 5   1 Y 
48  1 B GLY 2   B GLY 6   1 Y 
49  1 B ARG 3   B ARG 7   1 Y 
50  1 B GLY 4   B GLY 8   1 Y 
51  1 B LYS 5   B LYS 9   1 Y 
52  1 B GLY 6   B GLY 10  1 Y 
53  1 B GLY 7   B GLY 11  1 Y 
54  1 B LYS 8   B LYS 12  1 Y 
55  1 B GLY 9   B GLY 13  1 Y 
56  1 B LEU 10  B LEU 14  1 Y 
57  1 B GLY 11  B GLY 15  1 Y 
58  1 B LYS 12  B LYS 16  1 Y 
59  1 B GLY 13  B GLY 17  1 Y 
60  1 B GLY 14  B GLY 18  1 Y 
61  1 B ALA 15  B ALA 19  1 Y 
62  1 B LYS 16  B LYS 20  1 Y 
63  1 B ARG 17  B ARG 21  1 Y 
64  1 B HIS 18  B HIS 22  1 Y 
65  1 B ARG 19  B ARG 23  1 Y 
66  1 B LYS 20  B LYS 24  1 Y 
67  1 B VAL 21  B VAL 25  1 Y 
68  1 B LEU 22  B LEU 26  1 Y 
69  1 B ARG 23  B ARG 27  1 Y 
70  1 B ASP 24  B ASP 28  1 Y 
71  1 C GLY -3  C GLY 1   1 Y 
72  1 C SER -2  C SER 2   1 Y 
73  1 C HIS -1  C HIS 3   1 Y 
74  1 C MET 0   C MET 4   1 Y 
75  1 C SER 1   C SER 5   1 Y 
76  1 C GLY 2   C GLY 6   1 Y 
77  1 C ARG 3   C ARG 7   1 Y 
78  1 C GLY 4   C GLY 8   1 Y 
79  1 C LYS 5   C LYS 9   1 Y 
80  1 C GLN 6   C GLN 10  1 Y 
81  1 C GLY 7   C GLY 11  1 Y 
82  1 C GLY 8   C GLY 12  1 Y 
83  1 C LYS 9   C LYS 13  1 Y 
84  1 C ALA 10  C ALA 14  1 Y 
85  1 C LYS 119 C LYS 123 1 Y 
86  1 C THR 120 C THR 124 1 Y 
87  1 C GLU 121 C GLU 125 1 Y 
88  1 C SER 122 C SER 126 1 Y 
89  1 C HIS 123 C HIS 127 1 Y 
90  1 C HIS 124 C HIS 128 1 Y 
91  1 C LYS 125 C LYS 129 1 Y 
92  1 C ALA 126 C ALA 130 1 Y 
93  1 C LYS 127 C LYS 131 1 Y 
94  1 C GLY 128 C GLY 132 1 Y 
95  1 C LYS 129 C LYS 133 1 Y 
96  1 D GLY -3  D GLY 1   1 Y 
97  1 D SER -2  D SER 2   1 Y 
98  1 D HIS -1  D HIS 3   1 Y 
99  1 D MET 0   D MET 4   1 Y 
100 1 D PRO 1   D PRO 5   1 Y 
101 1 D GLU 2   D GLU 6   1 Y 
102 1 D PRO 3   D PRO 7   1 Y 
103 1 D SER 4   D SER 8   1 Y 
104 1 D ARG 5   D ARG 9   1 Y 
105 1 D SER 6   D SER 10  1 Y 
106 1 D THR 7   D THR 11  1 Y 
107 1 D PRO 8   D PRO 12  1 Y 
108 1 D ALA 9   D ALA 13  1 Y 
109 1 D PRO 10  D PRO 14  1 Y 
110 1 D LYS 11  D LYS 15  1 Y 
111 1 D LYS 12  D LYS 16  1 Y 
112 1 D GLY 13  D GLY 17  1 Y 
113 1 D SER 14  D SER 18  1 Y 
114 1 D LYS 15  D LYS 19  1 Y 
115 1 D LYS 16  D LYS 20  1 Y 
116 1 D ALA 17  D ALA 21  1 Y 
117 1 D ILE 18  D ILE 22  1 Y 
118 1 D THR 19  D THR 23  1 Y 
119 1 D LYS 20  D LYS 24  1 Y 
120 1 D ALA 21  D ALA 25  1 Y 
121 1 D GLN 22  D GLN 26  1 Y 
122 1 D LYS 23  D LYS 27  1 Y 
123 1 D LYS 24  D LYS 28  1 Y 
124 1 D ASP 25  D ASP 29  1 Y 
125 1 D GLY 26  D GLY 30  1 Y 
126 1 D LYS 27  D LYS 31  1 Y 
127 1 D LYS 28  D LYS 32  1 Y 
128 1 D ARG 29  D ARG 33  1 Y 
129 1 D LYS 30  D LYS 34  1 Y 
130 1 D ARG 31  D ARG 35  1 Y 
131 1 D LYS 125 D LYS 129 1 Y 
132 1 E GLY -3  E GLY 1   1 Y 
133 1 E SER -2  E SER 2   1 Y 
134 1 E HIS -1  E HIS 3   1 Y 
135 1 E MET 0   E MET 4   1 Y 
136 1 E ALA 1   E ALA 5   1 Y 
137 1 E ARG 2   E ARG 6   1 Y 
138 1 E THR 3   E THR 7   1 Y 
139 1 E LYS 4   E LYS 8   1 Y 
140 1 E GLN 5   E GLN 9   1 Y 
141 1 E THR 6   E THR 10  1 Y 
142 1 E ALA 7   E ALA 11  1 Y 
143 1 E ARG 8   E ARG 12  1 Y 
144 1 E LYS 9   E LYS 13  1 Y 
145 1 E SER 10  E SER 14  1 Y 
146 1 E THR 11  E THR 15  1 Y 
147 1 E GLY 12  E GLY 16  1 Y 
148 1 E GLY 13  E GLY 17  1 Y 
149 1 E LYS 14  E LYS 18  1 Y 
150 1 E ALA 15  E ALA 19  1 Y 
151 1 E PRO 16  E PRO 20  1 Y 
152 1 E ARG 17  E ARG 21  1 Y 
153 1 E LYS 18  E LYS 22  1 Y 
154 1 E GLN 19  E GLN 23  1 Y 
155 1 E LEU 20  E LEU 24  1 Y 
156 1 E ALA 21  E ALA 25  1 Y 
157 1 E THR 22  E THR 26  1 Y 
158 1 E LYS 23  E LYS 27  1 Y 
159 1 E VAL 24  E VAL 28  1 Y 
160 1 E ALA 25  E ALA 29  1 Y 
161 1 E ARG 26  E ARG 30  1 Y 
162 1 E LYS 27  E LYS 31  1 Y 
163 1 E SER 28  E SER 32  1 Y 
164 1 E ALA 29  E ALA 33  1 Y 
165 1 E PRO 30  E PRO 34  1 Y 
166 1 E ALA 31  E ALA 35  1 Y 
167 1 E THR 32  E THR 36  1 Y 
168 1 E GLY 33  E GLY 37  1 Y 
169 1 E GLY 34  E GLY 38  1 Y 
170 1 E VAL 35  E VAL 39  1 Y 
171 1 E LYS 36  E LYS 40  1 Y 
172 1 E LYS 37  E LYS 41  1 Y 
173 1 E ALA 135 E ALA 139 1 Y 
174 1 F GLY -3  F GLY 1   1 Y 
175 1 F SER -2  F SER 2   1 Y 
176 1 F HIS -1  F HIS 3   1 Y 
177 1 F MET 0   F MET 4   1 Y 
178 1 F SER 1   F SER 5   1 Y 
179 1 F GLY 2   F GLY 6   1 Y 
180 1 F ARG 3   F ARG 7   1 Y 
181 1 F GLY 4   F GLY 8   1 Y 
182 1 F LYS 5   F LYS 9   1 Y 
183 1 F GLY 6   F GLY 10  1 Y 
184 1 F GLY 7   F GLY 11  1 Y 
185 1 F LYS 8   F LYS 12  1 Y 
186 1 F GLY 9   F GLY 13  1 Y 
187 1 F LEU 10  F LEU 14  1 Y 
188 1 F GLY 11  F GLY 15  1 Y 
189 1 F LYS 12  F LYS 16  1 Y 
190 1 F GLY 13  F GLY 17  1 Y 
191 1 F GLY 14  F GLY 18  1 Y 
192 1 F ALA 15  F ALA 19  1 Y 
193 1 F LYS 16  F LYS 20  1 Y 
194 1 F ARG 17  F ARG 21  1 Y 
195 1 F HIS 18  F HIS 22  1 Y 
196 1 G GLY -3  G GLY 1   1 Y 
197 1 G SER -2  G SER 2   1 Y 
198 1 G HIS -1  G HIS 3   1 Y 
199 1 G MET 0   G MET 4   1 Y 
200 1 G SER 1   G SER 5   1 Y 
201 1 G GLY 2   G GLY 6   1 Y 
202 1 G ARG 3   G ARG 7   1 Y 
203 1 G GLY 4   G GLY 8   1 Y 
204 1 G LYS 5   G LYS 9   1 Y 
205 1 G GLN 6   G GLN 10  1 Y 
206 1 G GLY 7   G GLY 11  1 Y 
207 1 G GLY 8   G GLY 12  1 Y 
208 1 G LYS 9   G LYS 13  1 Y 
209 1 G ALA 10  G ALA 14  1 Y 
210 1 G ARG 11  G ARG 15  1 Y 
211 1 G ALA 12  G ALA 16  1 Y 
212 1 G LYS 13  G LYS 17  1 Y 
213 1 G ALA 14  G ALA 18  1 Y 
214 1 G LYS 119 G LYS 123 1 Y 
215 1 G THR 120 G THR 124 1 Y 
216 1 G GLU 121 G GLU 125 1 Y 
217 1 G SER 122 G SER 126 1 Y 
218 1 G HIS 123 G HIS 127 1 Y 
219 1 G HIS 124 G HIS 128 1 Y 
220 1 G LYS 125 G LYS 129 1 Y 
221 1 G ALA 126 G ALA 130 1 Y 
222 1 G LYS 127 G LYS 131 1 Y 
223 1 G GLY 128 G GLY 132 1 Y 
224 1 G LYS 129 G LYS 133 1 Y 
225 1 H GLY -3  H GLY 1   1 Y 
226 1 H SER -2  H SER 2   1 Y 
227 1 H HIS -1  H HIS 3   1 Y 
228 1 H MET 0   H MET 4   1 Y 
229 1 H PRO 1   H PRO 5   1 Y 
230 1 H GLU 2   H GLU 6   1 Y 
231 1 H PRO 3   H PRO 7   1 Y 
232 1 H SER 4   H SER 8   1 Y 
233 1 H ARG 5   H ARG 9   1 Y 
234 1 H SER 6   H SER 10  1 Y 
235 1 H THR 7   H THR 11  1 Y 
236 1 H PRO 8   H PRO 12  1 Y 
237 1 H ALA 9   H ALA 13  1 Y 
238 1 H PRO 10  H PRO 14  1 Y 
239 1 H LYS 11  H LYS 15  1 Y 
240 1 H LYS 12  H LYS 16  1 Y 
241 1 H GLY 13  H GLY 17  1 Y 
242 1 H SER 14  H SER 18  1 Y 
243 1 H LYS 15  H LYS 19  1 Y 
244 1 H LYS 16  H LYS 20  1 Y 
245 1 H ALA 17  H ALA 21  1 Y 
246 1 H ILE 18  H ILE 22  1 Y 
247 1 H THR 19  H THR 23  1 Y 
248 1 H LYS 20  H LYS 24  1 Y 
249 1 H ALA 21  H ALA 25  1 Y 
250 1 H GLN 22  H GLN 26  1 Y 
251 1 H LYS 23  H LYS 27  1 Y 
252 1 H LYS 24  H LYS 28  1 Y 
253 1 H ASP 25  H ASP 29  1 Y 
254 1 H GLY 26  H GLY 30  1 Y 
255 1 H LYS 27  H LYS 31  1 Y 
256 1 H LYS 28  H LYS 32  1 Y 
257 1 H ARG 29  H ARG 33  1 Y 
258 1 H LYS 30  H LYS 34  1 Y 
259 1 H ARG 31  H ARG 35  1 Y 
260 1 H GLY 32  H GLY 36  1 Y 
261 1 H LYS 125 H LYS 129 1 Y 
262 1 I DA  1   I DA  1   1 Y 
263 1 J DT  292 J DT  146 1 Y 
# 
_refine.entry_id                             5B1L 
_refine.pdbx_refine_id                       'X-RAY DIFFRACTION' 
_refine.B_iso_max                            120.870 
_refine.B_iso_mean                           48.1914 
_refine.B_iso_min                            14.120 
_refine.ls_R_factor_R_free                   0.2429 
_refine.ls_R_factor_R_work                   0.1969 
_refine.ls_R_factor_obs                      0.1993 
_refine.ls_d_res_high                        2.3500 
_refine.ls_d_res_low                         41.8330 
_refine.ls_number_reflns_R_free              3771 
_refine.ls_number_reflns_R_work              71148 
_refine.ls_number_reflns_obs                 74919 
_refine.ls_percent_reflns_R_free             5.0300 
_refine.ls_percent_reflns_obs                99.9700 
_refine.overall_SU_ML                        0.3100 
_refine.pdbx_R_Free_selection_details        'Random selection' 
_refine.pdbx_diffrn_id                       1 
_refine.pdbx_ls_cross_valid_method           'FREE R-VALUE' 
_refine.pdbx_ls_sigma_F                      1.360 
_refine.pdbx_method_to_determine_struct      'MOLECULAR REPLACEMENT' 
_refine.pdbx_overall_phase_error             25.6000 
_refine.pdbx_solvent_shrinkage_radii         0.9000 
_refine.pdbx_solvent_vdw_probe_radii         1.1100 
_refine.pdbx_starting_model                  'PDB ENTRY 2CV5' 
_refine.pdbx_stereochemistry_target_values   ML 
_refine.solvent_model_details                'FLAT BULK SOLVENT MODEL' 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       2.3500 
_refine_hist.d_res_low                        41.8330 
_refine_hist.number_atoms_solvent             225 
_refine_hist.number_atoms_total               12164 
_refine_hist.pdbx_B_iso_mean_ligand           59.06 
_refine_hist.pdbx_B_iso_mean_solvent          39.35 
_refine_hist.pdbx_number_atoms_ligand         17 
_refine_hist.pdbx_number_atoms_nucleic_acid   5942 
_refine_hist.pdbx_number_atoms_protein        5980 
_refine_hist.pdbx_number_residues_total       1043 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.number 
'X-RAY DIFFRACTION' f_bond_d           0.010  12727 
'X-RAY DIFFRACTION' f_angle_d          1.261  18430 
'X-RAY DIFFRACTION' f_chiral_restr     0.056  2095  
'X-RAY DIFFRACTION' f_plane_restr      0.008  1327  
'X-RAY DIFFRACTION' f_dihedral_angle_d 29.205 5246  
# 
loop_
_refine_ls_restr_ncs.pdbx_ordinal 
_refine_ls_restr_ncs.dom_id 
_refine_ls_restr_ncs.pdbx_auth_asym_id 
_refine_ls_restr_ncs.pdbx_ens_id 
_refine_ls_restr_ncs.pdbx_number 
_refine_ls_restr_ncs.pdbx_refine_id 
_refine_ls_restr_ncs.pdbx_rms 
_refine_ls_restr_ncs.pdbx_type 
1  1 A 1 954  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
2  2 E 1 954  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
3  1 B 2 740  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
4  2 F 2 740  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
5  1 C 3 960  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
6  2 G 3 960  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
7  1 D 4 836  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
8  2 H 4 836  'X-RAY DIFFRACTION' 7.978 TORSIONAL 
9  1 I 5 2874 'X-RAY DIFFRACTION' 7.978 TORSIONAL 
10 2 J 5 2874 'X-RAY DIFFRACTION' 7.978 TORSIONAL 
# 
loop_
_refine_ls_shell.d_res_high 
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
2.3501 'X-RAY DIFFRACTION' 0.3300 ? 0.2372 ? ? 2.3798  123 2626 2749 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.3798 'X-RAY DIFFRACTION' 0.3365 ? 0.2456 ? ? 2.4111  135 2611 2746 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.4111 'X-RAY DIFFRACTION' 0.2820 ? 0.2392 ? ? 2.4441  143 2603 2746 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.4441 'X-RAY DIFFRACTION' 0.2794 ? 0.2393 ? ? 2.4790  141 2586 2727 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.4790 'X-RAY DIFFRACTION' 0.3476 ? 0.2255 ? ? 2.5160  129 2627 2756 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.5160 'X-RAY DIFFRACTION' 0.2689 ? 0.2325 ? ? 2.5554  133 2613 2746 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.5554 'X-RAY DIFFRACTION' 0.2906 ? 0.2345 ? ? 2.5972  136 2588 2724 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.5972 'X-RAY DIFFRACTION' 0.2893 ? 0.2384 ? ? 2.6420  136 2605 2741 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.6420 'X-RAY DIFFRACTION' 0.3159 ? 0.2436 ? ? 2.6901  141 2609 2750 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.6901 'X-RAY DIFFRACTION' 0.3275 ? 0.2424 ? ? 2.7418  132 2632 2764 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.7418 'X-RAY DIFFRACTION' 0.2721 ? 0.2427 ? ? 2.7977  142 2580 2722 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.7977 'X-RAY DIFFRACTION' 0.2743 ? 0.2480 ? ? 2.8586  130 2651 2781 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.8586 'X-RAY DIFFRACTION' 0.3216 ? 0.2502 ? ? 2.9250  128 2632 2760 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.9250 'X-RAY DIFFRACTION' 0.2816 ? 0.2548 ? ? 2.9982  139 2607 2746 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
2.9982 'X-RAY DIFFRACTION' 0.2848 ? 0.2284 ? ? 3.0792  154 2606 2760 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
3.0792 'X-RAY DIFFRACTION' 0.2529 ? 0.2199 ? ? 3.1698  145 2609 2754 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
3.1698 'X-RAY DIFFRACTION' 0.2368 ? 0.2043 ? ? 3.2721  135 2629 2764 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
3.2721 'X-RAY DIFFRACTION' 0.2587 ? 0.2025 ? ? 3.3890  159 2600 2759 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
3.3890 'X-RAY DIFFRACTION' 0.2334 ? 0.1955 ? ? 3.5246  146 2635 2781 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
3.5246 'X-RAY DIFFRACTION' 0.2360 ? 0.1907 ? ? 3.6849  156 2622 2778 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
3.6849 'X-RAY DIFFRACTION' 0.2367 ? 0.1922 ? ? 3.8790  133 2652 2785 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
3.8790 'X-RAY DIFFRACTION' 0.2318 ? 0.1819 ? ? 4.1219  151 2641 2792 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
4.1219 'X-RAY DIFFRACTION' 0.1980 ? 0.1619 ? ? 4.4398  139 2668 2807 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
4.4398 'X-RAY DIFFRACTION' 0.2089 ? 0.1630 ? ? 4.8860  126 2683 2809 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
4.8860 'X-RAY DIFFRACTION' 0.2081 ? 0.1704 ? ? 5.5916  150 2679 2829 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
5.5916 'X-RAY DIFFRACTION' 0.2119 ? 0.1810 ? ? 7.0394  144 2720 2864 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
7.0394 'X-RAY DIFFRACTION' 0.1896 ? 0.1494 ? ? 41.8396 145 2834 2979 ? ? ? ? 
27 ? 100.0000 ? ? ? ? ? ? 
# 
_reflns.pdbx_ordinal               1 
_reflns.B_iso_Wilson_estimate      40.940 
_reflns.d_resolution_high          2.350 
_reflns.d_resolution_low           50.000 
_reflns.entry_id                   5B1L 
_reflns.number_obs                 75240 
_reflns.pdbx_Rmerge_I_obs          0.086 
_reflns.pdbx_Rpim_I_all            0.036 
_reflns.pdbx_Rrim_I_all            0.094 
_reflns.pdbx_chi_squared           0.807 
_reflns.pdbx_diffrn_id             1 
_reflns.pdbx_netI_over_av_sigmaI   20.842 
_reflns.pdbx_netI_over_sigmaI      5.900 
_reflns.pdbx_number_measured_all   496153 
_reflns.pdbx_redundancy            6.600 
_reflns.percent_possible_obs       100.000 
# 
loop_
_reflns_shell.pdbx_ordinal 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_unique_all 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_rejects 
_reflns_shell.percent_possible_all 
1  0.454 2.350 2.430  7433 0.897 0.190 0.493 0.472 1 6.700 0 100.000 
2  0.372 2.430 2.530  7421 0.923 0.155 0.404 0.500 1 6.700 0 100.000 
3  0.294 2.530 2.650  7426 0.951 0.127 0.321 0.534 1 6.300 0 100.000 
4  0.236 2.650 2.790  7462 0.970 0.098 0.256 0.555 1 6.700 0 100.000 
5  0.177 2.790 2.960  7448 0.982 0.075 0.193 0.594 1 6.600 0 100.000 
6  0.122 2.960 3.190  7493 0.993 0.050 0.132 0.661 1 6.900 0 100.000 
7  0.080 3.190 3.510  7501 0.997 0.033 0.087 0.827 1 6.700 0 100.000 
8  0.070 3.510 4.020  7550 0.996 0.030 0.076 1.017 1 6.400 0 100.000 
9  0.061 4.020 5.060  7606 0.996 0.025 0.066 1.210 1 6.600 0 100.000 
10 0.058 5.060 50.000 7900 0.998 0.025 0.063 1.698 1 6.300 0 99.900  
# 
_struct.entry_id          5B1L 
_struct.pdbx_descriptor   
'Histone H3t, Histone H4, Histone H2A type 1, Histone H2B type 3-A/DNA Complex' 
_struct.title             'The mouse nucleosome structure containing H3t' 
# 
loop_
_struct_asym.id 
_struct_asym.entity_id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
A  1 N N 
B  2 N N 
C  3 N N 
D  4 N N 
E  1 N N 
F  2 N N 
G  3 N N 
H  4 N N 
I  5 N N 
J  5 N N 
K  6 N N 
L  6 N N 
M  7 N N 
N  6 N N 
O  6 N N 
P  7 N N 
Q  7 N N 
R  7 N N 
S  7 N N 
T  7 N N 
U  7 N N 
V  7 N N 
W  7 N N 
X  7 N N 
Y  7 N N 
Z  7 N N 
AA 7 N N 
BA 8 N N 
CA 8 N N 
DA 8 N N 
EA 8 N N 
FA 8 N N 
GA 8 N N 
HA 8 N N 
IA 8 N N 
JA 8 N N 
KA 8 N N 
# 
loop_
_struct_conf.id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_seq_id 
_struct_conf.conf_type_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_seq_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.pdbx_PDB_helix_length 
HELX_P1  A GLY 44  A GLY 48  HELX_P A SER 57  A SER 61  1 AA1 14 
HELX_P2  A ARG 63  A ARG 67  HELX_P A LYS 79  A LYS 83  1 AA2 17 
HELX_P3  A GLN 85  A GLN 89  HELX_P A ALA 114 A ALA 118 1 AA3 30 
HELX_P4  A MET 120 A MET 124 HELX_P A ARG 131 A ARG 135 1 AA4 12 
HELX_P5  B ASN 25  B ASN 29  HELX_P B ILE 29  B ILE 33  5 AA5 5  
HELX_P6  B THR 30  B THR 34  HELX_P B GLY 41  B GLY 45  1 AA6 12 
HELX_P7  B LEU 49  B LEU 53  HELX_P B ALA 76  B ALA 80  1 AA7 28 
HELX_P8  B THR 82  B THR 86  HELX_P B GLN 93  B GLN 97  1 AA8 12 
HELX_P9  C THR 16  C THR 20  HELX_P C GLY 22  C GLY 26  1 AA9 7  
HELX_P10 C PRO 26  C PRO 30  HELX_P C GLY 37  C GLY 41  1 AB1 12 
HELX_P11 C GLY 46  C GLY 50  HELX_P C ASN 73  C ASN 77  1 AB2 28 
HELX_P12 C ILE 79  C ILE 83  HELX_P C ASN 89  C ASN 93  1 AB3 11 
HELX_P13 C ASP 90  C ASP 94  HELX_P C LEU 97  C LEU 101 1 AB4 8  
HELX_P14 C GLN 112 C GLN 116 HELX_P C LEU 116 C LEU 120 5 AB5 5  
HELX_P15 D TYR 37  D TYR 41  HELX_P D HIS 49  D HIS 53  1 AB6 13 
HELX_P16 D SER 55  D SER 59  HELX_P D ASN 84  D ASN 88  1 AB7 30 
HELX_P17 D THR 90  D THR 94  HELX_P D LEU 102 D LEU 106 1 AB8 13 
HELX_P18 D PRO 103 D PRO 107 HELX_P D SER 124 D SER 128 1 AB9 22 
HELX_P19 E GLY 44  E GLY 48  HELX_P E SER 57  E SER 61  1 AC1 14 
HELX_P20 E ARG 63  E ARG 67  HELX_P E LYS 79  E LYS 83  1 AC2 17 
HELX_P21 E GLN 85  E GLN 89  HELX_P E ALA 114 E ALA 118 1 AC3 30 
HELX_P22 E MET 120 E MET 124 HELX_P E ARG 131 E ARG 135 1 AC4 12 
HELX_P23 F ASP 24  F ASP 28  HELX_P F ILE 29  F ILE 33  5 AC5 6  
HELX_P24 F THR 30  F THR 34  HELX_P F GLY 41  F GLY 45  1 AC6 12 
HELX_P25 F LEU 49  F LEU 53  HELX_P F ALA 76  F ALA 80  1 AC7 28 
HELX_P26 F THR 82  F THR 86  HELX_P F GLN 93  F GLN 97  1 AC8 12 
HELX_P27 G THR 16  G THR 20  HELX_P G GLY 22  G GLY 26  1 AC9 7  
HELX_P28 G PRO 26  G PRO 30  HELX_P G GLY 37  G GLY 41  1 AD1 12 
HELX_P29 G ALA 45  G ALA 49  HELX_P G ASN 73  G ASN 77  1 AD2 29 
HELX_P30 G ILE 79  G ILE 83  HELX_P G ASN 89  G ASN 93  1 AD3 11 
HELX_P31 G ASP 90  G ASP 94  HELX_P G LEU 97  G LEU 101 1 AD4 8  
HELX_P32 G GLN 112 G GLN 116 HELX_P G LEU 116 G LEU 120 5 AD5 5  
HELX_P33 H TYR 37  H TYR 41  HELX_P H HIS 49  H HIS 53  1 AD6 13 
HELX_P34 H SER 55  H SER 59  HELX_P H ASN 84  H ASN 88  1 AD7 30 
HELX_P35 H THR 90  H THR 94  HELX_P H LEU 102 H LEU 106 1 AD8 13 
HELX_P36 H PRO 103 H PRO 107 HELX_P H SER 124 H SER 128 1 AD9 22 
# 
_struct_conf_type.id   HELX_P 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_dist_value 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.details 
metalc1   metalc 2.191 D VAL 48  D  O   VAL 52  1_555 D MN  301 M  MN MN  ?   
1_555 ?            
metalc2   metalc 2.666 I DA  17  I  N7  DA  17  1_555 I MN  306 U  MN MN  ?   
1_555 ?            
metalc3   metalc 2.261 I DG  68  I  O6  DG  68  1_555 I MN  304 S  MN MN  ?   
1_555 ?            
metalc4   metalc 2.509 I DG  121 I  N7  DG  121 1_555 I MN  301 P  MN MN  ?   
1_555 ?            
metalc5   metalc 2.544 I DG  134 I  N7  DG  134 1_555 I MN  303 R  MN MN  ?   
1_555 ?            
metalc6   metalc 2.530 J DT  183 J  OP1 DT  37  1_555 J MN  404 Y  MN MN  ?   
1_555 ?            
metalc7   metalc 2.300 J DG  185 J  N7  DG  39  1_555 J MN  402 W  MN MN  ?   
1_555 ?            
metalc8   metalc 2.527 J DG  186 J  O6  DG  40  1_555 J MN  402 W  MN MN  ?   
1_555 ?            
metalc9   metalc 2.356 J DG  217 J  N7  DG  71  1_555 J MN  405 Z  MN MN  ?   
1_555 ?            
metalc10  metalc 2.510 J DG  267 J  N7  DG  121 1_555 J MN  401 V  MN MN  ?   
1_555 ?            
metalc11  metalc 2.385 J DG  280 J  N7  DG  134 1_555 J MN  403 X  MN MN  ?   
1_555 ?            
metalc12  metalc 2.388 D MN  301 M  MN  MN  ?   1_555 C HOH 409 DA O  HOH ?   
1_555 ?            
metalc13  metalc 2.295 D MN  301 M  MN  MN  ?   1_555 D HOH 402 EA O  HOH ?   
1_555 ?            
metalc14  metalc 1.847 D MN  301 M  MN  MN  ?   1_555 D HOH 409 EA O  HOH ?   
1_555 ?            
metalc15  metalc 1.902 I MN  301 P  MN  MN  ?   1_555 I HOH 435 JA O  HOH ?   
1_555 ?            
metalc16  metalc 2.383 I MN  301 P  MN  MN  ?   1_555 I HOH 406 JA O  HOH ?   
1_555 ?            
metalc17  metalc 1.812 I MN  303 R  MN  MN  ?   1_555 I HOH 432 JA O  HOH ?   
1_555 ?            
metalc18  metalc 2.201 I MN  304 S  MN  MN  ?   1_555 I HOH 409 JA O  HOH ?   
1_555 ?            
metalc19  metalc 2.182 I MN  304 S  MN  MN  ?   1_555 J HOH 517 KA O  HOH ?   
1_555 ?            
metalc20  metalc 2.375 I MN  305 T  MN  MN  ?   1_555 I HOH 419 JA O  HOH ?   
1_555 ?            
metalc21  metalc 2.486 I MN  305 T  MN  MN  ?   1_555 J HOH 540 KA O  HOH ?   
1_555 ?            
metalc22  metalc 1.849 J MN  401 V  MN  MN  ?   1_555 J HOH 532 KA O  HOH ?   
1_555 ?            
metalc23  metalc 2.577 J MN  401 V  MN  MN  ?   1_555 J HOH 545 KA O  HOH ?   
1_555 ?            
metalc24  metalc 2.118 J MN  401 V  MN  MN  ?   1_555 J HOH 505 KA O  HOH ?   
1_555 ?            
metalc25  metalc 2.350 J MN  401 V  MN  MN  ?   1_555 J HOH 537 KA O  HOH ?   
1_555 ?            
metalc26  metalc 2.332 J MN  402 W  MN  MN  ?   1_555 J HOH 531 KA O  HOH ?   
1_555 ?            
metalc27  metalc 2.085 J MN  402 W  MN  MN  ?   1_555 J HOH 530 KA O  HOH ?   
1_555 ?            
metalc28  metalc 2.664 J MN  402 W  MN  MN  ?   1_555 J HOH 522 KA O  HOH ?   
1_555 ?            
metalc29  metalc 2.307 J MN  403 X  MN  MN  ?   1_555 J HOH 519 KA O  HOH ?   
1_555 ?            
metalc30  metalc 2.055 J MN  403 X  MN  MN  ?   1_555 J HOH 544 KA O  HOH ?   
1_555 ?            
metalc31  metalc 2.481 J MN  405 Z  MN  MN  ?   1_555 J HOH 502 KA O  HOH ?   
1_555 ?            
metalc32  metalc 2.786 J MN  406 AA MN  MN  ?   1_555 J HOH 542 KA O  HOH ?   
1_555 ?            
metalc33  metalc 2.009 E ASP 77  E  OD1 ASP 81  1_555 D MN  301 M  MN MN  ?   
3_545 ?            
metalc34  metalc 2.297 D MN  301 M  MN  MN  ?   1_555 E HOH 412 FA O  HOH ?   
3_555 ?            
metalc35  metalc 2.291 I MN  302 Q  MN  MN  ?   1_555 I HOH 441 JA O  HOH ?   
4_445 ?            
metalc36  metalc 2.471 I MN  302 Q  MN  MN  ?   1_555 J HOH 511 KA O  HOH ?   
4_445 ?            
metalc37  metalc 2.135 I MN  302 Q  MN  MN  ?   1_555 J HOH 538 KA O  HOH ?   
4_445 ?            
metalc38  metalc 2.581 J MN  404 Y  MN  MN  ?   1_555 J HOH 541 KA O  HOH ?   
4_545 ?            
hydrog1   hydrog ?     I DT  2   I  N3  DT  2   1_555 J DA  291 J  N1 DA  145 
1_555 WATSON-CRICK 
hydrog2   hydrog ?     I DT  2   I  O4  DT  2   1_555 J DA  291 J  N6 DA  145 
1_555 WATSON-CRICK 
hydrog3   hydrog ?     I DC  3   I  N3  DC  3   1_555 J DG  290 J  N1 DG  144 
1_555 WATSON-CRICK 
hydrog4   hydrog ?     I DC  3   I  N4  DC  3   1_555 J DG  290 J  O6 DG  144 
1_555 WATSON-CRICK 
hydrog5   hydrog ?     I DC  3   I  O2  DC  3   1_555 J DG  290 J  N2 DG  144 
1_555 WATSON-CRICK 
hydrog6   hydrog ?     I DA  4   I  N1  DA  4   1_555 J DT  289 J  N3 DT  143 
1_555 WATSON-CRICK 
hydrog7   hydrog ?     I DA  4   I  N6  DA  4   1_555 J DT  289 J  O4 DT  143 
1_555 WATSON-CRICK 
hydrog8   hydrog ?     I DA  5   I  N1  DA  5   1_555 J DT  288 J  N3 DT  142 
1_555 WATSON-CRICK 
hydrog9   hydrog ?     I DA  5   I  N6  DA  5   1_555 J DT  288 J  O4 DT  142 
1_555 WATSON-CRICK 
hydrog10  hydrog ?     I DT  6   I  N3  DT  6   1_555 J DA  287 J  N1 DA  141 
1_555 WATSON-CRICK 
hydrog11  hydrog ?     I DT  6   I  O4  DT  6   1_555 J DA  287 J  N6 DA  141 
1_555 WATSON-CRICK 
hydrog12  hydrog ?     I DA  7   I  N1  DA  7   1_555 J DT  286 J  N3 DT  140 
1_555 WATSON-CRICK 
hydrog13  hydrog ?     I DA  7   I  N6  DA  7   1_555 J DT  286 J  O4 DT  140 
1_555 WATSON-CRICK 
hydrog14  hydrog ?     I DT  8   I  N3  DT  8   1_555 J DA  285 J  N1 DA  139 
1_555 WATSON-CRICK 
hydrog15  hydrog ?     I DT  8   I  O4  DT  8   1_555 J DA  285 J  N6 DA  139 
1_555 WATSON-CRICK 
hydrog16  hydrog ?     I DC  9   I  N3  DC  9   1_555 J DG  284 J  N1 DG  138 
1_555 WATSON-CRICK 
hydrog17  hydrog ?     I DC  9   I  N4  DC  9   1_555 J DG  284 J  O6 DG  138 
1_555 WATSON-CRICK 
hydrog18  hydrog ?     I DC  9   I  O2  DC  9   1_555 J DG  284 J  N2 DG  138 
1_555 WATSON-CRICK 
hydrog19  hydrog ?     I DC  10  I  N3  DC  10  1_555 J DG  283 J  N1 DG  137 
1_555 WATSON-CRICK 
hydrog20  hydrog ?     I DC  10  I  N4  DC  10  1_555 J DG  283 J  O6 DG  137 
1_555 WATSON-CRICK 
hydrog21  hydrog ?     I DC  10  I  O2  DC  10  1_555 J DG  283 J  N2 DG  137 
1_555 WATSON-CRICK 
hydrog22  hydrog ?     I DA  11  I  N1  DA  11  1_555 J DT  282 J  N3 DT  136 
1_555 WATSON-CRICK 
hydrog23  hydrog ?     I DA  11  I  N6  DA  11  1_555 J DT  282 J  O4 DT  136 
1_555 WATSON-CRICK 
hydrog24  hydrog ?     I DC  12  I  N3  DC  12  1_555 J DG  281 J  N1 DG  135 
1_555 WATSON-CRICK 
hydrog25  hydrog ?     I DC  12  I  N4  DC  12  1_555 J DG  281 J  O6 DG  135 
1_555 WATSON-CRICK 
hydrog26  hydrog ?     I DC  12  I  O2  DC  12  1_555 J DG  281 J  N2 DG  135 
1_555 WATSON-CRICK 
hydrog27  hydrog ?     I DC  13  I  N3  DC  13  1_555 J DG  280 J  N1 DG  134 
1_555 WATSON-CRICK 
hydrog28  hydrog ?     I DC  13  I  N4  DC  13  1_555 J DG  280 J  O6 DG  134 
1_555 WATSON-CRICK 
hydrog29  hydrog ?     I DC  13  I  O2  DC  13  1_555 J DG  280 J  N2 DG  134 
1_555 WATSON-CRICK 
hydrog30  hydrog ?     I DT  14  I  N3  DT  14  1_555 J DA  279 J  N1 DA  133 
1_555 WATSON-CRICK 
hydrog31  hydrog ?     I DT  14  I  O4  DT  14  1_555 J DA  279 J  N6 DA  133 
1_555 WATSON-CRICK 
hydrog32  hydrog ?     I DG  15  I  N1  DG  15  1_555 J DC  278 J  N3 DC  132 
1_555 WATSON-CRICK 
hydrog33  hydrog ?     I DG  15  I  N2  DG  15  1_555 J DC  278 J  O2 DC  132 
1_555 WATSON-CRICK 
hydrog34  hydrog ?     I DG  15  I  O6  DG  15  1_555 J DC  278 J  N4 DC  132 
1_555 WATSON-CRICK 
hydrog35  hydrog ?     I DC  16  I  N3  DC  16  1_555 J DG  277 J  N1 DG  131 
1_555 WATSON-CRICK 
hydrog36  hydrog ?     I DC  16  I  N4  DC  16  1_555 J DG  277 J  O6 DG  131 
1_555 WATSON-CRICK 
hydrog37  hydrog ?     I DC  16  I  O2  DC  16  1_555 J DG  277 J  N2 DG  131 
1_555 WATSON-CRICK 
hydrog38  hydrog ?     I DA  17  I  N1  DA  17  1_555 J DT  276 J  N3 DT  130 
1_555 WATSON-CRICK 
hydrog39  hydrog ?     I DA  17  I  N6  DA  17  1_555 J DT  276 J  O4 DT  130 
1_555 WATSON-CRICK 
hydrog40  hydrog ?     I DG  18  I  N1  DG  18  1_555 J DC  275 J  N3 DC  129 
1_555 WATSON-CRICK 
hydrog41  hydrog ?     I DG  18  I  N2  DG  18  1_555 J DC  275 J  O2 DC  129 
1_555 WATSON-CRICK 
hydrog42  hydrog ?     I DG  18  I  O6  DG  18  1_555 J DC  275 J  N4 DC  129 
1_555 WATSON-CRICK 
hydrog43  hydrog ?     I DA  19  I  N1  DA  19  1_555 J DT  274 J  N3 DT  128 
1_555 WATSON-CRICK 
hydrog44  hydrog ?     I DA  19  I  N6  DA  19  1_555 J DT  274 J  O4 DT  128 
1_555 WATSON-CRICK 
hydrog45  hydrog ?     I DT  20  I  N3  DT  20  1_555 J DA  273 J  N1 DA  127 
1_555 WATSON-CRICK 
hydrog46  hydrog ?     I DT  20  I  O4  DT  20  1_555 J DA  273 J  N6 DA  127 
1_555 WATSON-CRICK 
hydrog47  hydrog ?     I DT  21  I  N3  DT  21  1_555 J DA  272 J  N1 DA  126 
1_555 WATSON-CRICK 
hydrog48  hydrog ?     I DT  21  I  O4  DT  21  1_555 J DA  272 J  N6 DA  126 
1_555 WATSON-CRICK 
hydrog49  hydrog ?     I DC  22  I  N3  DC  22  1_555 J DG  271 J  N1 DG  125 
1_555 WATSON-CRICK 
hydrog50  hydrog ?     I DC  22  I  N4  DC  22  1_555 J DG  271 J  O6 DG  125 
1_555 WATSON-CRICK 
hydrog51  hydrog ?     I DC  22  I  O2  DC  22  1_555 J DG  271 J  N2 DG  125 
1_555 WATSON-CRICK 
hydrog52  hydrog ?     I DT  23  I  N3  DT  23  1_555 J DA  270 J  N1 DA  124 
1_555 WATSON-CRICK 
hydrog53  hydrog ?     I DT  23  I  O4  DT  23  1_555 J DA  270 J  N6 DA  124 
1_555 WATSON-CRICK 
hydrog54  hydrog ?     I DA  24  I  N1  DA  24  1_555 J DT  269 J  N3 DT  123 
1_555 WATSON-CRICK 
hydrog55  hydrog ?     I DA  24  I  N6  DA  24  1_555 J DT  269 J  O4 DT  123 
1_555 WATSON-CRICK 
hydrog56  hydrog ?     I DC  25  I  N3  DC  25  1_555 J DG  268 J  N1 DG  122 
1_555 WATSON-CRICK 
hydrog57  hydrog ?     I DC  25  I  N4  DC  25  1_555 J DG  268 J  O6 DG  122 
1_555 WATSON-CRICK 
hydrog58  hydrog ?     I DC  25  I  O2  DC  25  1_555 J DG  268 J  N2 DG  122 
1_555 WATSON-CRICK 
hydrog59  hydrog ?     I DC  26  I  N3  DC  26  1_555 J DG  267 J  N1 DG  121 
1_555 WATSON-CRICK 
hydrog60  hydrog ?     I DC  26  I  N4  DC  26  1_555 J DG  267 J  O6 DG  121 
1_555 WATSON-CRICK 
hydrog61  hydrog ?     I DC  26  I  O2  DC  26  1_555 J DG  267 J  N2 DG  121 
1_555 WATSON-CRICK 
hydrog62  hydrog ?     I DA  27  I  N1  DA  27  1_555 J DT  266 J  N3 DT  120 
1_555 WATSON-CRICK 
hydrog63  hydrog ?     I DA  27  I  N6  DA  27  1_555 J DT  266 J  O4 DT  120 
1_555 WATSON-CRICK 
hydrog64  hydrog ?     I DA  28  I  N1  DA  28  1_555 J DT  265 J  N3 DT  119 
1_555 WATSON-CRICK 
hydrog65  hydrog ?     I DA  28  I  N6  DA  28  1_555 J DT  265 J  O4 DT  119 
1_555 WATSON-CRICK 
hydrog66  hydrog ?     I DA  29  I  N1  DA  29  1_555 J DT  264 J  N3 DT  118 
1_555 WATSON-CRICK 
hydrog67  hydrog ?     I DA  29  I  N6  DA  29  1_555 J DT  264 J  O4 DT  118 
1_555 WATSON-CRICK 
hydrog68  hydrog ?     I DA  30  I  N1  DA  30  1_555 J DT  263 J  N3 DT  117 
1_555 WATSON-CRICK 
hydrog69  hydrog ?     I DA  30  I  N6  DA  30  1_555 J DT  263 J  O4 DT  117 
1_555 WATSON-CRICK 
hydrog70  hydrog ?     I DG  31  I  N1  DG  31  1_555 J DC  262 J  N3 DC  116 
1_555 WATSON-CRICK 
hydrog71  hydrog ?     I DG  31  I  N2  DG  31  1_555 J DC  262 J  O2 DC  116 
1_555 WATSON-CRICK 
hydrog72  hydrog ?     I DG  31  I  O6  DG  31  1_555 J DC  262 J  N4 DC  116 
1_555 WATSON-CRICK 
hydrog73  hydrog ?     I DT  32  I  N3  DT  32  1_555 J DA  261 J  N1 DA  115 
1_555 WATSON-CRICK 
hydrog74  hydrog ?     I DT  32  I  O4  DT  32  1_555 J DA  261 J  N6 DA  115 
1_555 WATSON-CRICK 
hydrog75  hydrog ?     I DG  33  I  N1  DG  33  1_555 J DC  260 J  N3 DC  114 
1_555 WATSON-CRICK 
hydrog76  hydrog ?     I DG  33  I  N2  DG  33  1_555 J DC  260 J  O2 DC  114 
1_555 WATSON-CRICK 
hydrog77  hydrog ?     I DG  33  I  O6  DG  33  1_555 J DC  260 J  N4 DC  114 
1_555 WATSON-CRICK 
hydrog78  hydrog ?     I DT  34  I  N3  DT  34  1_555 J DA  259 J  N1 DA  113 
1_555 WATSON-CRICK 
hydrog79  hydrog ?     I DT  34  I  O4  DT  34  1_555 J DA  259 J  N6 DA  113 
1_555 WATSON-CRICK 
hydrog80  hydrog ?     I DA  35  I  N1  DA  35  1_555 J DT  258 J  N3 DT  112 
1_555 WATSON-CRICK 
hydrog81  hydrog ?     I DA  35  I  N6  DA  35  1_555 J DT  258 J  O4 DT  112 
1_555 WATSON-CRICK 
hydrog82  hydrog ?     I DT  36  I  N3  DT  36  1_555 J DA  257 J  N1 DA  111 
1_555 WATSON-CRICK 
hydrog83  hydrog ?     I DT  36  I  O4  DT  36  1_555 J DA  257 J  N6 DA  111 
1_555 WATSON-CRICK 
hydrog84  hydrog ?     I DT  37  I  N3  DT  37  1_555 J DA  256 J  N1 DA  110 
1_555 WATSON-CRICK 
hydrog85  hydrog ?     I DT  37  I  O4  DT  37  1_555 J DA  256 J  N6 DA  110 
1_555 WATSON-CRICK 
hydrog86  hydrog ?     I DT  38  I  N3  DT  38  1_555 J DA  255 J  N1 DA  109 
1_555 WATSON-CRICK 
hydrog87  hydrog ?     I DT  38  I  O4  DT  38  1_555 J DA  255 J  N6 DA  109 
1_555 WATSON-CRICK 
hydrog88  hydrog ?     I DG  39  I  N1  DG  39  1_555 J DC  254 J  N3 DC  108 
1_555 WATSON-CRICK 
hydrog89  hydrog ?     I DG  39  I  N2  DG  39  1_555 J DC  254 J  O2 DC  108 
1_555 WATSON-CRICK 
hydrog90  hydrog ?     I DG  39  I  O6  DG  39  1_555 J DC  254 J  N4 DC  108 
1_555 WATSON-CRICK 
hydrog91  hydrog ?     I DG  40  I  N1  DG  40  1_555 J DC  253 J  N3 DC  107 
1_555 WATSON-CRICK 
hydrog92  hydrog ?     I DG  40  I  N2  DG  40  1_555 J DC  253 J  O2 DC  107 
1_555 WATSON-CRICK 
hydrog93  hydrog ?     I DG  40  I  O6  DG  40  1_555 J DC  253 J  N4 DC  107 
1_555 WATSON-CRICK 
hydrog94  hydrog ?     I DA  41  I  N1  DA  41  1_555 J DT  252 J  N3 DT  106 
1_555 WATSON-CRICK 
hydrog95  hydrog ?     I DA  41  I  N6  DA  41  1_555 J DT  252 J  O4 DT  106 
1_555 WATSON-CRICK 
hydrog96  hydrog ?     I DA  42  I  N1  DA  42  1_555 J DT  251 J  N3 DT  105 
1_555 WATSON-CRICK 
hydrog97  hydrog ?     I DA  42  I  N6  DA  42  1_555 J DT  251 J  O4 DT  105 
1_555 WATSON-CRICK 
hydrog98  hydrog ?     I DA  43  I  N1  DA  43  1_555 J DT  250 J  N3 DT  104 
1_555 WATSON-CRICK 
hydrog99  hydrog ?     I DA  43  I  N6  DA  43  1_555 J DT  250 J  O4 DT  104 
1_555 WATSON-CRICK 
hydrog100 hydrog ?     I DC  44  I  N3  DC  44  1_555 J DG  249 J  N1 DG  103 
1_555 WATSON-CRICK 
hydrog101 hydrog ?     I DC  44  I  N4  DC  44  1_555 J DG  249 J  O6 DG  103 
1_555 WATSON-CRICK 
hydrog102 hydrog ?     I DC  44  I  O2  DC  44  1_555 J DG  249 J  N2 DG  103 
1_555 WATSON-CRICK 
hydrog103 hydrog ?     I DT  45  I  N3  DT  45  1_555 J DA  248 J  N1 DA  102 
1_555 WATSON-CRICK 
hydrog104 hydrog ?     I DT  45  I  O4  DT  45  1_555 J DA  248 J  N6 DA  102 
1_555 WATSON-CRICK 
hydrog105 hydrog ?     I DG  46  I  N1  DG  46  1_555 J DC  247 J  N3 DC  101 
1_555 WATSON-CRICK 
hydrog106 hydrog ?     I DG  46  I  N2  DG  46  1_555 J DC  247 J  O2 DC  101 
1_555 WATSON-CRICK 
hydrog107 hydrog ?     I DG  46  I  O6  DG  46  1_555 J DC  247 J  N4 DC  101 
1_555 WATSON-CRICK 
hydrog108 hydrog ?     I DC  47  I  N3  DC  47  1_555 J DG  246 J  N1 DG  100 
1_555 WATSON-CRICK 
hydrog109 hydrog ?     I DC  47  I  N4  DC  47  1_555 J DG  246 J  O6 DG  100 
1_555 WATSON-CRICK 
hydrog110 hydrog ?     I DC  47  I  O2  DC  47  1_555 J DG  246 J  N2 DG  100 
1_555 WATSON-CRICK 
hydrog111 hydrog ?     I DT  48  I  N3  DT  48  1_555 J DA  245 J  N1 DA  99  
1_555 WATSON-CRICK 
hydrog112 hydrog ?     I DT  48  I  O4  DT  48  1_555 J DA  245 J  N6 DA  99  
1_555 WATSON-CRICK 
hydrog113 hydrog ?     I DC  49  I  N3  DC  49  1_555 J DG  244 J  N1 DG  98  
1_555 WATSON-CRICK 
hydrog114 hydrog ?     I DC  49  I  N4  DC  49  1_555 J DG  244 J  O6 DG  98  
1_555 WATSON-CRICK 
hydrog115 hydrog ?     I DC  49  I  O2  DC  49  1_555 J DG  244 J  N2 DG  98  
1_555 WATSON-CRICK 
hydrog116 hydrog ?     I DC  50  I  N3  DC  50  1_555 J DG  243 J  N1 DG  97  
1_555 WATSON-CRICK 
hydrog117 hydrog ?     I DC  50  I  N4  DC  50  1_555 J DG  243 J  O6 DG  97  
1_555 WATSON-CRICK 
hydrog118 hydrog ?     I DC  50  I  O2  DC  50  1_555 J DG  243 J  N2 DG  97  
1_555 WATSON-CRICK 
hydrog119 hydrog ?     I DA  51  I  N1  DA  51  1_555 J DT  242 J  N3 DT  96  
1_555 WATSON-CRICK 
hydrog120 hydrog ?     I DA  51  I  N6  DA  51  1_555 J DT  242 J  O4 DT  96  
1_555 WATSON-CRICK 
hydrog121 hydrog ?     I DT  52  I  N3  DT  52  1_555 J DA  241 J  N1 DA  95  
1_555 WATSON-CRICK 
hydrog122 hydrog ?     I DT  52  I  O4  DT  52  1_555 J DA  241 J  N6 DA  95  
1_555 WATSON-CRICK 
hydrog123 hydrog ?     I DC  53  I  N3  DC  53  1_555 J DG  240 J  N1 DG  94  
1_555 WATSON-CRICK 
hydrog124 hydrog ?     I DC  53  I  N4  DC  53  1_555 J DG  240 J  O6 DG  94  
1_555 WATSON-CRICK 
hydrog125 hydrog ?     I DC  53  I  O2  DC  53  1_555 J DG  240 J  N2 DG  94  
1_555 WATSON-CRICK 
hydrog126 hydrog ?     I DA  54  I  N1  DA  54  1_555 J DT  239 J  N3 DT  93  
1_555 WATSON-CRICK 
hydrog127 hydrog ?     I DA  54  I  N6  DA  54  1_555 J DT  239 J  O4 DT  93  
1_555 WATSON-CRICK 
hydrog128 hydrog ?     I DA  55  I  N1  DA  55  1_555 J DT  238 J  N3 DT  92  
1_555 WATSON-CRICK 
hydrog129 hydrog ?     I DA  55  I  N6  DA  55  1_555 J DT  238 J  O4 DT  92  
1_555 WATSON-CRICK 
hydrog130 hydrog ?     I DA  56  I  N1  DA  56  1_555 J DT  237 J  N3 DT  91  
1_555 WATSON-CRICK 
hydrog131 hydrog ?     I DA  56  I  N6  DA  56  1_555 J DT  237 J  O4 DT  91  
1_555 WATSON-CRICK 
hydrog132 hydrog ?     I DA  57  I  N1  DA  57  1_555 J DT  236 J  N3 DT  90  
1_555 WATSON-CRICK 
hydrog133 hydrog ?     I DA  57  I  N6  DA  57  1_555 J DT  236 J  O4 DT  90  
1_555 WATSON-CRICK 
hydrog134 hydrog ?     I DG  58  I  N1  DG  58  1_555 J DC  235 J  N3 DC  89  
1_555 WATSON-CRICK 
hydrog135 hydrog ?     I DG  58  I  N2  DG  58  1_555 J DC  235 J  O2 DC  89  
1_555 WATSON-CRICK 
hydrog136 hydrog ?     I DG  58  I  O6  DG  58  1_555 J DC  235 J  N4 DC  89  
1_555 WATSON-CRICK 
hydrog137 hydrog ?     I DG  59  I  N1  DG  59  1_555 J DC  234 J  N3 DC  88  
1_555 WATSON-CRICK 
hydrog138 hydrog ?     I DG  59  I  N2  DG  59  1_555 J DC  234 J  O2 DC  88  
1_555 WATSON-CRICK 
hydrog139 hydrog ?     I DG  59  I  O6  DG  59  1_555 J DC  234 J  N4 DC  88  
1_555 WATSON-CRICK 
hydrog140 hydrog ?     I DC  60  I  N3  DC  60  1_555 J DG  233 J  N1 DG  87  
1_555 WATSON-CRICK 
hydrog141 hydrog ?     I DC  60  I  N4  DC  60  1_555 J DG  233 J  O6 DG  87  
1_555 WATSON-CRICK 
hydrog142 hydrog ?     I DC  60  I  O2  DC  60  1_555 J DG  233 J  N2 DG  87  
1_555 WATSON-CRICK 
hydrog143 hydrog ?     I DA  61  I  N1  DA  61  1_555 J DT  232 J  N3 DT  86  
1_555 WATSON-CRICK 
hydrog144 hydrog ?     I DA  61  I  N6  DA  61  1_555 J DT  232 J  O4 DT  86  
1_555 WATSON-CRICK 
hydrog145 hydrog ?     I DT  62  I  N3  DT  62  1_555 J DA  231 J  N1 DA  85  
1_555 WATSON-CRICK 
hydrog146 hydrog ?     I DT  62  I  O4  DT  62  1_555 J DA  231 J  N6 DA  85  
1_555 WATSON-CRICK 
hydrog147 hydrog ?     I DG  63  I  N1  DG  63  1_555 J DC  230 J  N3 DC  84  
1_555 WATSON-CRICK 
hydrog148 hydrog ?     I DG  63  I  N2  DG  63  1_555 J DC  230 J  O2 DC  84  
1_555 WATSON-CRICK 
hydrog149 hydrog ?     I DG  63  I  O6  DG  63  1_555 J DC  230 J  N4 DC  84  
1_555 WATSON-CRICK 
hydrog150 hydrog ?     I DT  64  I  N3  DT  64  1_555 J DA  229 J  N1 DA  83  
1_555 WATSON-CRICK 
hydrog151 hydrog ?     I DT  64  I  O4  DT  64  1_555 J DA  229 J  N6 DA  83  
1_555 WATSON-CRICK 
hydrog152 hydrog ?     I DT  65  I  N3  DT  65  1_555 J DA  228 J  N1 DA  82  
1_555 WATSON-CRICK 
hydrog153 hydrog ?     I DT  65  I  O4  DT  65  1_555 J DA  228 J  N6 DA  82  
1_555 WATSON-CRICK 
hydrog154 hydrog ?     I DC  66  I  N3  DC  66  1_555 J DG  227 J  N1 DG  81  
1_555 WATSON-CRICK 
hydrog155 hydrog ?     I DC  66  I  N4  DC  66  1_555 J DG  227 J  O6 DG  81  
1_555 WATSON-CRICK 
hydrog156 hydrog ?     I DC  66  I  O2  DC  66  1_555 J DG  227 J  N2 DG  81  
1_555 WATSON-CRICK 
hydrog157 hydrog ?     I DA  67  I  N1  DA  67  1_555 J DT  226 J  N3 DT  80  
1_555 WATSON-CRICK 
hydrog158 hydrog ?     I DA  67  I  N6  DA  67  1_555 J DT  226 J  O4 DT  80  
1_555 WATSON-CRICK 
hydrog159 hydrog ?     I DG  68  I  N1  DG  68  1_555 J DC  225 J  N3 DC  79  
1_555 WATSON-CRICK 
hydrog160 hydrog ?     I DG  68  I  N2  DG  68  1_555 J DC  225 J  O2 DC  79  
1_555 WATSON-CRICK 
hydrog161 hydrog ?     I DG  68  I  O6  DG  68  1_555 J DC  225 J  N4 DC  79  
1_555 WATSON-CRICK 
hydrog162 hydrog ?     I DC  69  I  N3  DC  69  1_555 J DG  224 J  N1 DG  78  
1_555 WATSON-CRICK 
hydrog163 hydrog ?     I DC  69  I  N4  DC  69  1_555 J DG  224 J  O6 DG  78  
1_555 WATSON-CRICK 
hydrog164 hydrog ?     I DC  69  I  O2  DC  69  1_555 J DG  224 J  N2 DG  78  
1_555 WATSON-CRICK 
hydrog165 hydrog ?     I DT  70  I  N3  DT  70  1_555 J DA  223 J  N1 DA  77  
1_555 WATSON-CRICK 
hydrog166 hydrog ?     I DT  70  I  O4  DT  70  1_555 J DA  223 J  N6 DA  77  
1_555 WATSON-CRICK 
hydrog167 hydrog ?     I DG  71  I  N1  DG  71  1_555 J DC  222 J  N3 DC  76  
1_555 WATSON-CRICK 
hydrog168 hydrog ?     I DG  71  I  N2  DG  71  1_555 J DC  222 J  O2 DC  76  
1_555 WATSON-CRICK 
hydrog169 hydrog ?     I DG  71  I  O6  DG  71  1_555 J DC  222 J  N4 DC  76  
1_555 WATSON-CRICK 
hydrog170 hydrog ?     I DA  72  I  N1  DA  72  1_555 J DT  221 J  N3 DT  75  
1_555 WATSON-CRICK 
hydrog171 hydrog ?     I DA  72  I  N6  DA  72  1_555 J DT  221 J  O4 DT  75  
1_555 WATSON-CRICK 
hydrog172 hydrog ?     I DA  73  I  N1  DA  73  1_555 J DT  220 J  N3 DT  74  
1_555 WATSON-CRICK 
hydrog173 hydrog ?     I DA  73  I  N6  DA  73  1_555 J DT  220 J  O4 DT  74  
1_555 WATSON-CRICK 
hydrog174 hydrog ?     I DT  74  I  N3  DT  74  1_555 J DA  219 J  N1 DA  73  
1_555 WATSON-CRICK 
hydrog175 hydrog ?     I DT  74  I  O4  DT  74  1_555 J DA  219 J  N6 DA  73  
1_555 WATSON-CRICK 
hydrog176 hydrog ?     I DT  75  I  N3  DT  75  1_555 J DA  218 J  N1 DA  72  
1_555 WATSON-CRICK 
hydrog177 hydrog ?     I DT  75  I  O4  DT  75  1_555 J DA  218 J  N6 DA  72  
1_555 WATSON-CRICK 
hydrog178 hydrog ?     I DC  76  I  N3  DC  76  1_555 J DG  217 J  N1 DG  71  
1_555 WATSON-CRICK 
hydrog179 hydrog ?     I DC  76  I  N4  DC  76  1_555 J DG  217 J  O6 DG  71  
1_555 WATSON-CRICK 
hydrog180 hydrog ?     I DC  76  I  O2  DC  76  1_555 J DG  217 J  N2 DG  71  
1_555 WATSON-CRICK 
hydrog181 hydrog ?     I DA  77  I  N1  DA  77  1_555 J DT  216 J  N3 DT  70  
1_555 WATSON-CRICK 
hydrog182 hydrog ?     I DA  77  I  N6  DA  77  1_555 J DT  216 J  O4 DT  70  
1_555 WATSON-CRICK 
hydrog183 hydrog ?     I DG  78  I  N1  DG  78  1_555 J DC  215 J  N3 DC  69  
1_555 WATSON-CRICK 
hydrog184 hydrog ?     I DG  78  I  N2  DG  78  1_555 J DC  215 J  O2 DC  69  
1_555 WATSON-CRICK 
hydrog185 hydrog ?     I DG  78  I  O6  DG  78  1_555 J DC  215 J  N4 DC  69  
1_555 WATSON-CRICK 
hydrog186 hydrog ?     I DC  79  I  N3  DC  79  1_555 J DG  214 J  N1 DG  68  
1_555 WATSON-CRICK 
hydrog187 hydrog ?     I DC  79  I  N4  DC  79  1_555 J DG  214 J  O6 DG  68  
1_555 WATSON-CRICK 
hydrog188 hydrog ?     I DC  79  I  O2  DC  79  1_555 J DG  214 J  N2 DG  68  
1_555 WATSON-CRICK 
hydrog189 hydrog ?     I DT  80  I  N3  DT  80  1_555 J DA  213 J  N1 DA  67  
1_555 WATSON-CRICK 
hydrog190 hydrog ?     I DT  80  I  O4  DT  80  1_555 J DA  213 J  N6 DA  67  
1_555 WATSON-CRICK 
hydrog191 hydrog ?     I DG  81  I  N1  DG  81  1_555 J DC  212 J  N3 DC  66  
1_555 WATSON-CRICK 
hydrog192 hydrog ?     I DG  81  I  N2  DG  81  1_555 J DC  212 J  O2 DC  66  
1_555 WATSON-CRICK 
hydrog193 hydrog ?     I DG  81  I  O6  DG  81  1_555 J DC  212 J  N4 DC  66  
1_555 WATSON-CRICK 
hydrog194 hydrog ?     I DA  82  I  N1  DA  82  1_555 J DT  211 J  N3 DT  65  
1_555 WATSON-CRICK 
hydrog195 hydrog ?     I DA  82  I  N6  DA  82  1_555 J DT  211 J  O4 DT  65  
1_555 WATSON-CRICK 
hydrog196 hydrog ?     I DA  83  I  N1  DA  83  1_555 J DT  210 J  N3 DT  64  
1_555 WATSON-CRICK 
hydrog197 hydrog ?     I DA  83  I  N6  DA  83  1_555 J DT  210 J  O4 DT  64  
1_555 WATSON-CRICK 
hydrog198 hydrog ?     I DC  84  I  N3  DC  84  1_555 J DG  209 J  N1 DG  63  
1_555 WATSON-CRICK 
hydrog199 hydrog ?     I DC  84  I  N4  DC  84  1_555 J DG  209 J  O6 DG  63  
1_555 WATSON-CRICK 
hydrog200 hydrog ?     I DC  84  I  O2  DC  84  1_555 J DG  209 J  N2 DG  63  
1_555 WATSON-CRICK 
hydrog201 hydrog ?     I DA  85  I  N1  DA  85  1_555 J DT  208 J  N3 DT  62  
1_555 WATSON-CRICK 
hydrog202 hydrog ?     I DA  85  I  N6  DA  85  1_555 J DT  208 J  O4 DT  62  
1_555 WATSON-CRICK 
hydrog203 hydrog ?     I DT  86  I  N3  DT  86  1_555 J DA  207 J  N1 DA  61  
1_555 WATSON-CRICK 
hydrog204 hydrog ?     I DT  86  I  O4  DT  86  1_555 J DA  207 J  N6 DA  61  
1_555 WATSON-CRICK 
hydrog205 hydrog ?     I DG  87  I  N1  DG  87  1_555 J DC  206 J  N3 DC  60  
1_555 WATSON-CRICK 
hydrog206 hydrog ?     I DG  87  I  N2  DG  87  1_555 J DC  206 J  O2 DC  60  
1_555 WATSON-CRICK 
hydrog207 hydrog ?     I DG  87  I  O6  DG  87  1_555 J DC  206 J  N4 DC  60  
1_555 WATSON-CRICK 
hydrog208 hydrog ?     I DC  88  I  N3  DC  88  1_555 J DG  205 J  N1 DG  59  
1_555 WATSON-CRICK 
hydrog209 hydrog ?     I DC  88  I  N4  DC  88  1_555 J DG  205 J  O6 DG  59  
1_555 WATSON-CRICK 
hydrog210 hydrog ?     I DC  88  I  O2  DC  88  1_555 J DG  205 J  N2 DG  59  
1_555 WATSON-CRICK 
hydrog211 hydrog ?     I DC  89  I  N3  DC  89  1_555 J DG  204 J  N1 DG  58  
1_555 WATSON-CRICK 
hydrog212 hydrog ?     I DC  89  I  N4  DC  89  1_555 J DG  204 J  O6 DG  58  
1_555 WATSON-CRICK 
hydrog213 hydrog ?     I DC  89  I  O2  DC  89  1_555 J DG  204 J  N2 DG  58  
1_555 WATSON-CRICK 
hydrog214 hydrog ?     I DT  90  I  N3  DT  90  1_555 J DA  203 J  N1 DA  57  
1_555 WATSON-CRICK 
hydrog215 hydrog ?     I DT  90  I  O4  DT  90  1_555 J DA  203 J  N6 DA  57  
1_555 WATSON-CRICK 
hydrog216 hydrog ?     I DT  91  I  N3  DT  91  1_555 J DA  202 J  N1 DA  56  
1_555 WATSON-CRICK 
hydrog217 hydrog ?     I DT  91  I  O4  DT  91  1_555 J DA  202 J  N6 DA  56  
1_555 WATSON-CRICK 
hydrog218 hydrog ?     I DT  92  I  N3  DT  92  1_555 J DA  201 J  N1 DA  55  
1_555 WATSON-CRICK 
hydrog219 hydrog ?     I DT  92  I  O4  DT  92  1_555 J DA  201 J  N6 DA  55  
1_555 WATSON-CRICK 
hydrog220 hydrog ?     I DT  93  I  N3  DT  93  1_555 J DA  200 J  N1 DA  54  
1_555 WATSON-CRICK 
hydrog221 hydrog ?     I DT  93  I  O4  DT  93  1_555 J DA  200 J  N6 DA  54  
1_555 WATSON-CRICK 
hydrog222 hydrog ?     I DG  94  I  N1  DG  94  1_555 J DC  199 J  N3 DC  53  
1_555 WATSON-CRICK 
hydrog223 hydrog ?     I DG  94  I  N2  DG  94  1_555 J DC  199 J  O2 DC  53  
1_555 WATSON-CRICK 
hydrog224 hydrog ?     I DG  94  I  O6  DG  94  1_555 J DC  199 J  N4 DC  53  
1_555 WATSON-CRICK 
hydrog225 hydrog ?     I DA  95  I  N1  DA  95  1_555 J DT  198 J  N3 DT  52  
1_555 WATSON-CRICK 
hydrog226 hydrog ?     I DA  95  I  N6  DA  95  1_555 J DT  198 J  O4 DT  52  
1_555 WATSON-CRICK 
hydrog227 hydrog ?     I DT  96  I  N3  DT  96  1_555 J DA  197 J  N1 DA  51  
1_555 WATSON-CRICK 
hydrog228 hydrog ?     I DT  96  I  O4  DT  96  1_555 J DA  197 J  N6 DA  51  
1_555 WATSON-CRICK 
hydrog229 hydrog ?     I DG  97  I  N1  DG  97  1_555 J DC  196 J  N3 DC  50  
1_555 WATSON-CRICK 
hydrog230 hydrog ?     I DG  97  I  N2  DG  97  1_555 J DC  196 J  O2 DC  50  
1_555 WATSON-CRICK 
hydrog231 hydrog ?     I DG  97  I  O6  DG  97  1_555 J DC  196 J  N4 DC  50  
1_555 WATSON-CRICK 
hydrog232 hydrog ?     I DG  98  I  N1  DG  98  1_555 J DC  195 J  N3 DC  49  
1_555 WATSON-CRICK 
hydrog233 hydrog ?     I DG  98  I  N2  DG  98  1_555 J DC  195 J  O2 DC  49  
1_555 WATSON-CRICK 
hydrog234 hydrog ?     I DG  98  I  O6  DG  98  1_555 J DC  195 J  N4 DC  49  
1_555 WATSON-CRICK 
hydrog235 hydrog ?     I DA  99  I  N1  DA  99  1_555 J DT  194 J  N3 DT  48  
1_555 WATSON-CRICK 
hydrog236 hydrog ?     I DA  99  I  N6  DA  99  1_555 J DT  194 J  O4 DT  48  
1_555 WATSON-CRICK 
hydrog237 hydrog ?     I DG  100 I  N1  DG  100 1_555 J DC  193 J  N3 DC  47  
1_555 WATSON-CRICK 
hydrog238 hydrog ?     I DG  100 I  N2  DG  100 1_555 J DC  193 J  O2 DC  47  
1_555 WATSON-CRICK 
hydrog239 hydrog ?     I DG  100 I  O6  DG  100 1_555 J DC  193 J  N4 DC  47  
1_555 WATSON-CRICK 
hydrog240 hydrog ?     I DC  101 I  N3  DC  101 1_555 J DG  192 J  N1 DG  46  
1_555 WATSON-CRICK 
hydrog241 hydrog ?     I DC  101 I  N4  DC  101 1_555 J DG  192 J  O6 DG  46  
1_555 WATSON-CRICK 
hydrog242 hydrog ?     I DC  101 I  O2  DC  101 1_555 J DG  192 J  N2 DG  46  
1_555 WATSON-CRICK 
hydrog243 hydrog ?     I DA  102 I  N1  DA  102 1_555 J DT  191 J  N3 DT  45  
1_555 WATSON-CRICK 
hydrog244 hydrog ?     I DA  102 I  N6  DA  102 1_555 J DT  191 J  O4 DT  45  
1_555 WATSON-CRICK 
hydrog245 hydrog ?     I DG  103 I  N1  DG  103 1_555 J DC  190 J  N3 DC  44  
1_555 WATSON-CRICK 
hydrog246 hydrog ?     I DG  103 I  N2  DG  103 1_555 J DC  190 J  O2 DC  44  
1_555 WATSON-CRICK 
hydrog247 hydrog ?     I DG  103 I  O6  DG  103 1_555 J DC  190 J  N4 DC  44  
1_555 WATSON-CRICK 
hydrog248 hydrog ?     I DT  104 I  N3  DT  104 1_555 J DA  189 J  N1 DA  43  
1_555 WATSON-CRICK 
hydrog249 hydrog ?     I DT  104 I  O4  DT  104 1_555 J DA  189 J  N6 DA  43  
1_555 WATSON-CRICK 
hydrog250 hydrog ?     I DT  105 I  N3  DT  105 1_555 J DA  188 J  N1 DA  42  
1_555 WATSON-CRICK 
hydrog251 hydrog ?     I DT  105 I  O4  DT  105 1_555 J DA  188 J  N6 DA  42  
1_555 WATSON-CRICK 
hydrog252 hydrog ?     I DT  106 I  N3  DT  106 1_555 J DA  187 J  N1 DA  41  
1_555 WATSON-CRICK 
hydrog253 hydrog ?     I DT  106 I  O4  DT  106 1_555 J DA  187 J  N6 DA  41  
1_555 WATSON-CRICK 
hydrog254 hydrog ?     I DC  107 I  N3  DC  107 1_555 J DG  186 J  N1 DG  40  
1_555 WATSON-CRICK 
hydrog255 hydrog ?     I DC  107 I  N4  DC  107 1_555 J DG  186 J  O6 DG  40  
1_555 WATSON-CRICK 
hydrog256 hydrog ?     I DC  107 I  O2  DC  107 1_555 J DG  186 J  N2 DG  40  
1_555 WATSON-CRICK 
hydrog257 hydrog ?     I DC  108 I  N3  DC  108 1_555 J DG  185 J  N1 DG  39  
1_555 WATSON-CRICK 
hydrog258 hydrog ?     I DC  108 I  N4  DC  108 1_555 J DG  185 J  O6 DG  39  
1_555 WATSON-CRICK 
hydrog259 hydrog ?     I DC  108 I  O2  DC  108 1_555 J DG  185 J  N2 DG  39  
1_555 WATSON-CRICK 
hydrog260 hydrog ?     I DA  109 I  N1  DA  109 1_555 J DT  184 J  N3 DT  38  
1_555 WATSON-CRICK 
hydrog261 hydrog ?     I DA  109 I  N6  DA  109 1_555 J DT  184 J  O4 DT  38  
1_555 WATSON-CRICK 
hydrog262 hydrog ?     I DA  110 I  N1  DA  110 1_555 J DT  183 J  N3 DT  37  
1_555 WATSON-CRICK 
hydrog263 hydrog ?     I DA  110 I  N6  DA  110 1_555 J DT  183 J  O4 DT  37  
1_555 WATSON-CRICK 
hydrog264 hydrog ?     I DA  111 I  N1  DA  111 1_555 J DT  182 J  N3 DT  36  
1_555 WATSON-CRICK 
hydrog265 hydrog ?     I DA  111 I  N6  DA  111 1_555 J DT  182 J  O4 DT  36  
1_555 WATSON-CRICK 
hydrog266 hydrog ?     I DT  112 I  N3  DT  112 1_555 J DA  181 J  N1 DA  35  
1_555 WATSON-CRICK 
hydrog267 hydrog ?     I DT  112 I  O4  DT  112 1_555 J DA  181 J  N6 DA  35  
1_555 WATSON-CRICK 
hydrog268 hydrog ?     I DA  113 I  N1  DA  113 1_555 J DT  180 J  N3 DT  34  
1_555 WATSON-CRICK 
hydrog269 hydrog ?     I DA  113 I  N6  DA  113 1_555 J DT  180 J  O4 DT  34  
1_555 WATSON-CRICK 
hydrog270 hydrog ?     I DC  114 I  N3  DC  114 1_555 J DG  179 J  N1 DG  33  
1_555 WATSON-CRICK 
hydrog271 hydrog ?     I DC  114 I  N4  DC  114 1_555 J DG  179 J  O6 DG  33  
1_555 WATSON-CRICK 
hydrog272 hydrog ?     I DC  114 I  O2  DC  114 1_555 J DG  179 J  N2 DG  33  
1_555 WATSON-CRICK 
hydrog273 hydrog ?     I DA  115 I  N1  DA  115 1_555 J DT  178 J  N3 DT  32  
1_555 WATSON-CRICK 
hydrog274 hydrog ?     I DA  115 I  N6  DA  115 1_555 J DT  178 J  O4 DT  32  
1_555 WATSON-CRICK 
hydrog275 hydrog ?     I DC  116 I  N3  DC  116 1_555 J DG  177 J  N1 DG  31  
1_555 WATSON-CRICK 
hydrog276 hydrog ?     I DC  116 I  N4  DC  116 1_555 J DG  177 J  O6 DG  31  
1_555 WATSON-CRICK 
hydrog277 hydrog ?     I DC  116 I  O2  DC  116 1_555 J DG  177 J  N2 DG  31  
1_555 WATSON-CRICK 
hydrog278 hydrog ?     I DT  117 I  N3  DT  117 1_555 J DA  176 J  N1 DA  30  
1_555 WATSON-CRICK 
hydrog279 hydrog ?     I DT  117 I  O4  DT  117 1_555 J DA  176 J  N6 DA  30  
1_555 WATSON-CRICK 
hydrog280 hydrog ?     I DT  118 I  N3  DT  118 1_555 J DA  175 J  N1 DA  29  
1_555 WATSON-CRICK 
hydrog281 hydrog ?     I DT  118 I  O4  DT  118 1_555 J DA  175 J  N6 DA  29  
1_555 WATSON-CRICK 
hydrog282 hydrog ?     I DT  119 I  N3  DT  119 1_555 J DA  174 J  N1 DA  28  
1_555 WATSON-CRICK 
hydrog283 hydrog ?     I DT  119 I  O4  DT  119 1_555 J DA  174 J  N6 DA  28  
1_555 WATSON-CRICK 
hydrog284 hydrog ?     I DT  120 I  N3  DT  120 1_555 J DA  173 J  N1 DA  27  
1_555 WATSON-CRICK 
hydrog285 hydrog ?     I DT  120 I  O4  DT  120 1_555 J DA  173 J  N6 DA  27  
1_555 WATSON-CRICK 
hydrog286 hydrog ?     I DG  121 I  N1  DG  121 1_555 J DC  172 J  N3 DC  26  
1_555 WATSON-CRICK 
hydrog287 hydrog ?     I DG  121 I  N2  DG  121 1_555 J DC  172 J  O2 DC  26  
1_555 WATSON-CRICK 
hydrog288 hydrog ?     I DG  121 I  O6  DG  121 1_555 J DC  172 J  N4 DC  26  
1_555 WATSON-CRICK 
hydrog289 hydrog ?     I DG  122 I  N1  DG  122 1_555 J DC  171 J  N3 DC  25  
1_555 WATSON-CRICK 
hydrog290 hydrog ?     I DG  122 I  N2  DG  122 1_555 J DC  171 J  O2 DC  25  
1_555 WATSON-CRICK 
hydrog291 hydrog ?     I DG  122 I  O6  DG  122 1_555 J DC  171 J  N4 DC  25  
1_555 WATSON-CRICK 
hydrog292 hydrog ?     I DT  123 I  N3  DT  123 1_555 J DA  170 J  N1 DA  24  
1_555 WATSON-CRICK 
hydrog293 hydrog ?     I DT  123 I  O4  DT  123 1_555 J DA  170 J  N6 DA  24  
1_555 WATSON-CRICK 
hydrog294 hydrog ?     I DA  124 I  N1  DA  124 1_555 J DT  169 J  N3 DT  23  
1_555 WATSON-CRICK 
hydrog295 hydrog ?     I DA  124 I  N6  DA  124 1_555 J DT  169 J  O4 DT  23  
1_555 WATSON-CRICK 
hydrog296 hydrog ?     I DG  125 I  N1  DG  125 1_555 J DC  168 J  N3 DC  22  
1_555 WATSON-CRICK 
hydrog297 hydrog ?     I DG  125 I  N2  DG  125 1_555 J DC  168 J  O2 DC  22  
1_555 WATSON-CRICK 
hydrog298 hydrog ?     I DG  125 I  O6  DG  125 1_555 J DC  168 J  N4 DC  22  
1_555 WATSON-CRICK 
hydrog299 hydrog ?     I DA  126 I  N1  DA  126 1_555 J DT  167 J  N3 DT  21  
1_555 WATSON-CRICK 
hydrog300 hydrog ?     I DA  126 I  N6  DA  126 1_555 J DT  167 J  O4 DT  21  
1_555 WATSON-CRICK 
hydrog301 hydrog ?     I DA  127 I  N1  DA  127 1_555 J DT  166 J  N3 DT  20  
1_555 WATSON-CRICK 
hydrog302 hydrog ?     I DA  127 I  N6  DA  127 1_555 J DT  166 J  O4 DT  20  
1_555 WATSON-CRICK 
hydrog303 hydrog ?     I DT  128 I  N3  DT  128 1_555 J DA  165 J  N1 DA  19  
1_555 WATSON-CRICK 
hydrog304 hydrog ?     I DT  128 I  O4  DT  128 1_555 J DA  165 J  N6 DA  19  
1_555 WATSON-CRICK 
hydrog305 hydrog ?     I DC  129 I  N3  DC  129 1_555 J DG  164 J  N1 DG  18  
1_555 WATSON-CRICK 
hydrog306 hydrog ?     I DC  129 I  N4  DC  129 1_555 J DG  164 J  O6 DG  18  
1_555 WATSON-CRICK 
hydrog307 hydrog ?     I DC  129 I  O2  DC  129 1_555 J DG  164 J  N2 DG  18  
1_555 WATSON-CRICK 
hydrog308 hydrog ?     I DT  130 I  N3  DT  130 1_555 J DA  163 J  N1 DA  17  
1_555 WATSON-CRICK 
hydrog309 hydrog ?     I DT  130 I  O4  DT  130 1_555 J DA  163 J  N6 DA  17  
1_555 WATSON-CRICK 
hydrog310 hydrog ?     I DG  131 I  N1  DG  131 1_555 J DC  162 J  N3 DC  16  
1_555 WATSON-CRICK 
hydrog311 hydrog ?     I DG  131 I  N2  DG  131 1_555 J DC  162 J  O2 DC  16  
1_555 WATSON-CRICK 
hydrog312 hydrog ?     I DG  131 I  O6  DG  131 1_555 J DC  162 J  N4 DC  16  
1_555 WATSON-CRICK 
hydrog313 hydrog ?     I DC  132 I  N3  DC  132 1_555 J DG  161 J  N1 DG  15  
1_555 WATSON-CRICK 
hydrog314 hydrog ?     I DC  132 I  N4  DC  132 1_555 J DG  161 J  O6 DG  15  
1_555 WATSON-CRICK 
hydrog315 hydrog ?     I DC  132 I  O2  DC  132 1_555 J DG  161 J  N2 DG  15  
1_555 WATSON-CRICK 
hydrog316 hydrog ?     I DA  133 I  N1  DA  133 1_555 J DT  160 J  N3 DT  14  
1_555 WATSON-CRICK 
hydrog317 hydrog ?     I DA  133 I  N6  DA  133 1_555 J DT  160 J  O4 DT  14  
1_555 WATSON-CRICK 
hydrog318 hydrog ?     I DG  134 I  N1  DG  134 1_555 J DC  159 J  N3 DC  13  
1_555 WATSON-CRICK 
hydrog319 hydrog ?     I DG  134 I  N2  DG  134 1_555 J DC  159 J  O2 DC  13  
1_555 WATSON-CRICK 
hydrog320 hydrog ?     I DG  134 I  O6  DG  134 1_555 J DC  159 J  N4 DC  13  
1_555 WATSON-CRICK 
hydrog321 hydrog ?     I DG  135 I  N1  DG  135 1_555 J DC  158 J  N3 DC  12  
1_555 WATSON-CRICK 
hydrog322 hydrog ?     I DG  135 I  N2  DG  135 1_555 J DC  158 J  O2 DC  12  
1_555 WATSON-CRICK 
hydrog323 hydrog ?     I DG  135 I  O6  DG  135 1_555 J DC  158 J  N4 DC  12  
1_555 WATSON-CRICK 
hydrog324 hydrog ?     I DT  136 I  N3  DT  136 1_555 J DA  157 J  N1 DA  11  
1_555 WATSON-CRICK 
hydrog325 hydrog ?     I DT  136 I  O4  DT  136 1_555 J DA  157 J  N6 DA  11  
1_555 WATSON-CRICK 
hydrog326 hydrog ?     I DG  137 I  N1  DG  137 1_555 J DC  156 J  N3 DC  10  
1_555 WATSON-CRICK 
hydrog327 hydrog ?     I DG  137 I  N2  DG  137 1_555 J DC  156 J  O2 DC  10  
1_555 WATSON-CRICK 
hydrog328 hydrog ?     I DG  137 I  O6  DG  137 1_555 J DC  156 J  N4 DC  10  
1_555 WATSON-CRICK 
hydrog329 hydrog ?     I DG  138 I  N1  DG  138 1_555 J DC  155 J  N3 DC  9   
1_555 WATSON-CRICK 
hydrog330 hydrog ?     I DG  138 I  N2  DG  138 1_555 J DC  155 J  O2 DC  9   
1_555 WATSON-CRICK 
hydrog331 hydrog ?     I DG  138 I  O6  DG  138 1_555 J DC  155 J  N4 DC  9   
1_555 WATSON-CRICK 
hydrog332 hydrog ?     I DA  139 I  N1  DA  139 1_555 J DT  154 J  N3 DT  8   
1_555 WATSON-CRICK 
hydrog333 hydrog ?     I DA  139 I  N6  DA  139 1_555 J DT  154 J  O4 DT  8   
1_555 WATSON-CRICK 
hydrog334 hydrog ?     I DT  140 I  N3  DT  140 1_555 J DA  153 J  N1 DA  7   
1_555 WATSON-CRICK 
hydrog335 hydrog ?     I DT  140 I  O4  DT  140 1_555 J DA  153 J  N6 DA  7   
1_555 WATSON-CRICK 
hydrog336 hydrog ?     I DA  141 I  N1  DA  141 1_555 J DT  152 J  N3 DT  6   
1_555 WATSON-CRICK 
hydrog337 hydrog ?     I DA  141 I  N6  DA  141 1_555 J DT  152 J  O4 DT  6   
1_555 WATSON-CRICK 
hydrog338 hydrog ?     I DT  142 I  N3  DT  142 1_555 J DA  151 J  N1 DA  5   
1_555 WATSON-CRICK 
hydrog339 hydrog ?     I DT  142 I  O4  DT  142 1_555 J DA  151 J  N6 DA  5   
1_555 WATSON-CRICK 
hydrog340 hydrog ?     I DT  143 I  N3  DT  143 1_555 J DA  150 J  N1 DA  4   
1_555 WATSON-CRICK 
hydrog341 hydrog ?     I DT  143 I  O4  DT  143 1_555 J DA  150 J  N6 DA  4   
1_555 WATSON-CRICK 
hydrog342 hydrog ?     I DG  144 I  N1  DG  144 1_555 J DC  149 J  O2 DC  3   
1_555 'DG-DC PAIR' 
hydrog343 hydrog ?     I DA  145 I  N1  DA  145 1_555 J DT  148 J  N3 DT  2   
1_555 WATSON-CRICK 
hydrog344 hydrog ?     I DA  145 I  N6  DA  145 1_555 J DT  148 J  O4 DT  2   
1_555 WATSON-CRICK 
hydrog345 hydrog ?     I DT  146 I  N3  DT  146 1_555 J DA  147 J  N1 DA  1   
1_555 WATSON-CRICK 
hydrog346 hydrog ?     I DT  146 I  O4  DT  146 1_555 J DA  147 J  N6 DA  1   
1_555 WATSON-CRICK 
# 
loop_
_struct_conn_type.id 
metalc 
hydrog 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 'chain A' 
2 1 'chain E' 
1 2 'chain B' 
2 2 'chain F' 
1 3 'chain C' 
2 3 'chain G' 
1 4 'chain D' 
2 4 'chain H' 
1 5 'chain I' 
2 5 'chain J' 
# 
loop_
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.selection_details 
1 1 1 A 38  A 301 'chain A' 
2 1 1 E 38  E 301 'chain E' 
1 1 2 B 25  B 211 'chain B' 
2 1 2 F 19  F 221 'chain F' 
1 1 3 C 11  C 301 'chain C' 
2 1 3 G 15  G 301 'chain G' 
1 1 4 D 32  D 301 'chain D' 
2 1 4 H 33  H 207 'chain H' 
1 1 5 I 2   I 306 'chain I' 
2 1 5 J 147 J 406 'chain J' 
# 
loop_
_struct_ncs_ens.id 
1 
2 
3 
4 
5 
# 
loop_
_struct_ref.id 
_struct_ref.db_code 
_struct_ref.db_name 
_struct_ref.entity_id 
_struct_ref.pdbx_align_begin 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_seq_one_letter_code 
1 5B1L        PDB 1 1 5B1L   ? 
2 H4_MOUSE    UNP 2 1 P62806 
;MSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRK
TVTAMDVVYALKRQGRTLYGFGG
;
3 H2A1_MOUSE  UNP 3 1 P22752 
;MSGRGKQGGKARAKAKTRSSRAGLQFPVGRVHRLLRKGNYSERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKTRII
PRHLQLAIRNDEELNKLLGRVTIAQGGVLPNIQAVLLPKKTESHHKAKGK
;
4 H2B3A_MOUSE UNP 4 1 Q9D2U9 
;MPEPSRSTPAPKKGSKKAITKAQKKDGKKRKRGRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIASEASR
LAHYNKRSTITSREVQTAVRLLLPGELAKHAVSEGTKAVTKYTSSK
;
5 5B1L        PDB 5 1 5B1L   ? 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.seq_align_end 
1  -3  135 5B1L -3  135 5B1L   A 1 1 139 
2  1   103 5B1L 0   102 P62806 B 2 4 106 
3  1   130 5B1L 0   129 P22752 C 3 4 133 
4  1   126 5B1L 0   125 Q9D2U9 D 4 4 129 
5  -3  135 5B1L -3  135 5B1L   E 1 1 139 
6  1   103 5B1L 0   102 P62806 F 2 4 106 
7  1   130 5B1L 0   129 P22752 G 3 4 133 
8  1   126 5B1L 0   125 Q9D2U9 H 4 4 129 
9  1   146 5B1L 1   146 5B1L   I 5 1 146 
10 147 292 5B1L 147 292 5B1L   J 5 1 146 
# 
loop_
_struct_ref_seq_dif.pdbx_ordinal 
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.seq_num 
1  2 'expression tag' GLY -3 5B1L B P62806 UNP 1 
2  2 'expression tag' SER -2 5B1L B P62806 UNP 2 
3  2 'expression tag' HIS -1 5B1L B P62806 UNP 3 
4  3 'expression tag' GLY -3 5B1L C P22752 UNP 1 
5  3 'expression tag' SER -2 5B1L C P22752 UNP 2 
6  3 'expression tag' HIS -1 5B1L C P22752 UNP 3 
7  4 'expression tag' GLY -3 5B1L D Q9D2U9 UNP 1 
8  4 'expression tag' SER -2 5B1L D Q9D2U9 UNP 2 
9  4 'expression tag' HIS -1 5B1L D Q9D2U9 UNP 3 
10 6 'expression tag' GLY -3 5B1L F P62806 UNP 1 
11 6 'expression tag' SER -2 5B1L F P62806 UNP 2 
12 6 'expression tag' HIS -1 5B1L F P62806 UNP 3 
13 7 'expression tag' GLY -3 5B1L G P22752 UNP 1 
14 7 'expression tag' SER -2 5B1L G P22752 UNP 2 
15 7 'expression tag' HIS -1 5B1L G P22752 UNP 3 
16 8 'expression tag' GLY -3 5B1L H Q9D2U9 UNP 1 
17 8 'expression tag' SER -2 5B1L H Q9D2U9 UNP 2 
18 8 'expression tag' HIS -1 5B1L H Q9D2U9 UNP 3 
# 
loop_
_struct_sheet.id 
_struct_sheet.number_strands 
AA1 2 
AA2 2 
AA3 2 
AA4 2 
AA5 2 
AA6 2 
AA7 2 
AA8 2 
AA9 2 
AB1 2 
# 
loop_
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.sheet_id 
_struct_sheet_order.sense 
1 2 AA1 parallel 
1 2 AA2 parallel 
1 2 AA3 parallel 
1 2 AA4 parallel 
1 2 AA5 parallel 
1 2 AA6 parallel 
1 2 AA7 parallel 
1 2 AA8 parallel 
1 2 AA9 parallel 
1 2 AB1 parallel 
# 
loop_
_struct_sheet_range.id 
_struct_sheet_range.sheet_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_seq_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_seq_id 
1 AA1 A ARG 83  A ARG 87  A PHE 84  A PHE 88  
2 AA1 B THR 80  B THR 84  B VAL 81  B VAL 85  
1 AA2 A THR 118 A THR 122 A ILE 119 A ILE 123 
2 AA2 B ARG 45  B ARG 49  B ILE 46  B ILE 50  
1 AA3 B LEU 97  B LEU 101 B TYR 98  B TYR 102 
2 AA3 G THR 101 G THR 105 G ILE 102 G ILE 106 
1 AA4 C ARG 42  C ARG 46  C VAL 43  C VAL 47  
2 AA4 D THR 88  D THR 92  D ILE 89  D ILE 93  
1 AA5 C ARG 77  C ARG 81  C ILE 78  C ILE 82  
2 AA5 D GLY 53  D GLY 57  D ILE 54  D ILE 58  
1 AA6 C THR 101 C THR 105 C ILE 102 C ILE 106 
2 AA6 F LEU 97  F LEU 101 F TYR 98  F TYR 102 
1 AA7 E ARG 83  E ARG 87  E PHE 84  E PHE 88  
2 AA7 F THR 80  F THR 84  F VAL 81  F VAL 85  
1 AA8 E THR 118 E THR 122 E ILE 119 E ILE 123 
2 AA8 F ARG 45  F ARG 49  F ILE 46  F ILE 50  
1 AA9 G ARG 42  G ARG 46  G VAL 43  G VAL 47  
2 AA9 H THR 88  H THR 92  H ILE 89  H ILE 93  
1 AB1 G ARG 77  G ARG 81  G ILE 78  G ILE 82  
2 AB1 H GLY 53  H GLY 57  H ILE 54  H ILE 58  
# 
loop_
_struct_site.id 
_struct_site.details 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_num_residues 
AC1 'binding site for residue CL A 301' A CL 301 Software 2 
AC2 'binding site for residue CL C 301' C CL 301 Software 5 
AC3 'binding site for residue MN D 301' D MN 301 Software 6 
AC4 'binding site for residue CL E 301' E CL 301 Software 2 
AC5 'binding site for residue CL G 301' G CL 301 Software 4 
AC6 'binding site for residue MN I 301' I MN 301 Software 3 
AC7 'binding site for residue MN I 302' I MN 302 Software 4 
AC8 'binding site for residue MN I 303' I MN 303 Software 3 
AC9 'binding site for residue MN I 304' I MN 304 Software 3 
AD1 'binding site for residue MN I 305' I MN 305 Software 2 
AD2 'binding site for residue MN I 306' I MN 306 Software 1 
AD3 'binding site for residue MN J 401' J MN 401 Software 5 
AD4 'binding site for residue MN J 402' J MN 402 Software 5 
AD5 'binding site for residue MN J 403' J MN 403 Software 3 
AD6 'binding site for residue MN J 404' J MN 404 Software 2 
AD7 'binding site for residue MN J 405' J MN 405 Software 2 
AD8 'binding site for residue MN J 406' J MN 406 Software 1 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.symmetry 
1  AC1 A PRO 121 A  ? PRO 125 2 1_555 
2  AC1 A LYS 122 A  ? LYS 126 2 1_555 
3  AC2 C GLY 44  C  ? GLY 48  5 1_555 
4  AC2 C GLY 46  C  ? GLY 50  5 1_555 
5  AC2 C ALA 47  C  ? ALA 51  5 1_555 
6  AC2 D THR 90  D  ? THR 94  5 1_555 
7  AC2 D SER 91  D  ? SER 95  5 1_555 
8  AC3 C HOH 409 DA ? HOH ?   6 1_555 
9  AC3 D VAL 48  D  ? VAL 52  6 1_555 
10 AC3 D HOH 402 EA ? HOH ?   6 1_555 
11 AC3 D HOH 409 EA ? HOH ?   6 1_555 
12 AC3 E ASP 77  E  ? ASP 81  6 3_555 
13 AC3 E HOH 412 FA ? HOH ?   6 3_555 
14 AC4 E PRO 121 E  ? PRO 125 2 1_555 
15 AC4 E LYS 122 E  ? LYS 126 2 1_555 
16 AC5 G GLY 44  G  ? GLY 48  4 1_555 
17 AC5 G GLY 46  G  ? GLY 50  4 1_555 
18 AC5 G ALA 47  G  ? ALA 51  4 1_555 
19 AC5 H SER 91  H  ? SER 95  4 1_555 
20 AC6 I DG  121 I  ? DG  121 3 1_555 
21 AC6 I HOH 406 JA ? HOH ?   3 1_555 
22 AC6 I HOH 435 JA ? HOH ?   3 1_555 
23 AC7 I HOH 414 JA ? HOH ?   4 1_555 
24 AC7 I HOH 441 JA ? HOH ?   4 4_445 
25 AC7 J HOH 511 KA ? HOH ?   4 4_445 
26 AC7 J HOH 538 KA ? HOH ?   4 4_445 
27 AC8 I DG  134 I  ? DG  134 3 1_555 
28 AC8 I HOH 432 JA ? HOH ?   3 1_555 
29 AC8 I HOH 437 JA ? HOH ?   3 1_555 
30 AC9 I DG  68  I  ? DG  68  3 1_555 
31 AC9 I HOH 409 JA ? HOH ?   3 1_555 
32 AC9 J HOH 517 KA ? HOH ?   3 1_555 
33 AD1 I HOH 419 JA ? HOH ?   2 1_555 
34 AD1 J HOH 540 KA ? HOH ?   2 1_555 
35 AD2 I DA  17  I  ? DA  17  1 1_555 
36 AD3 J DG  267 J  ? DG  121 5 1_555 
37 AD3 J HOH 505 KA ? HOH ?   5 1_555 
38 AD3 J HOH 532 KA ? HOH ?   5 1_555 
39 AD3 J HOH 537 KA ? HOH ?   5 1_555 
40 AD3 J HOH 545 KA ? HOH ?   5 1_555 
41 AD4 J DG  185 J  ? DG  39  5 1_555 
42 AD4 J DG  186 J  ? DG  40  5 1_555 
43 AD4 J HOH 522 KA ? HOH ?   5 1_555 
44 AD4 J HOH 530 KA ? HOH ?   5 1_555 
45 AD4 J HOH 531 KA ? HOH ?   5 1_555 
46 AD5 J DG  280 J  ? DG  134 3 1_555 
47 AD5 J HOH 519 KA ? HOH ?   3 1_555 
48 AD5 J HOH 544 KA ? HOH ?   3 1_555 
49 AD6 J DT  183 J  ? DT  37  2 1_555 
50 AD6 J HOH 541 KA ? HOH ?   2 4_545 
51 AD7 J DG  217 J  ? DG  71  2 1_555 
52 AD7 J HOH 502 KA ? HOH ?   2 1_555 
53 AD8 J HOH 542 KA ? HOH ?   1 1_555 
# 
_symmetry.entry_id               5B1L 
_symmetry.Int_Tables_number      19 
_symmetry.space_group_name_H-M   'P 21 21 21' 
# 
loop_
_pdbx_sifts_unp_segments.entity_id 
_pdbx_sifts_unp_segments.asym_id 
_pdbx_sifts_unp_segments.unp_acc 
_pdbx_sifts_unp_segments.segment_id 
_pdbx_sifts_unp_segments.instance_id 
_pdbx_sifts_unp_segments.unp_start 
_pdbx_sifts_unp_segments.unp_end 
_pdbx_sifts_unp_segments.seq_id_start 
_pdbx_sifts_unp_segments.seq_id_end 
_pdbx_sifts_unp_segments.best_mapping 
_pdbx_sifts_unp_segments.identity 
1 A P68433 2 1 1 136 4 139 Y 1.000 
2 B P62806 2 1 1 103 4 106 Y 1.000 
3 C C0HKE1 2 1 1 130 4 133 Y 1.000 
4 D Q9D2U9 2 1 1 126 4 129 Y 1.000 
1 E P68433 2 1 1 136 4 139 Y 1.000 
2 F P62806 2 1 1 103 4 106 Y 1.000 
3 G C0HKE1 2 1 1 130 4 133 Y 1.000 
4 H Q9D2U9 2 1 1 126 4 129 Y 1.000 
# 
loop_
_pdbx_sifts_xref_db_segments.entity_id 
_pdbx_sifts_xref_db_segments.asym_id 
_pdbx_sifts_xref_db_segments.xref_db 
_pdbx_sifts_xref_db_segments.xref_db_acc 
_pdbx_sifts_xref_db_segments.segment_id 
_pdbx_sifts_xref_db_segments.instance_id 
_pdbx_sifts_xref_db_segments.seq_id_start 
_pdbx_sifts_xref_db_segments.seq_id_end 
1 A GO       GO:0000786         1 1  1   3   
1 A GO       GO:0000786         1 2  1   3   
1 A GO       GO:0000786         1 3  1   3   
1 A GO       GO:0003677         1 4  1   3   
1 A GO       GO:0005515         1 5  1   3   
1 A GO       GO:0005515         1 6  1   3   
1 A GO       GO:0005515         1 7  1   3   
1 A GO       GO:0005634         1 8  1   3   
1 A GO       GO:0005634         1 9  1   3   
1 A GO       GO:0005634         1 10 1   3   
1 A GO       GO:0005634         1 11 1   3   
1 A GO       GO:0005654         1 12 1   3   
1 A GO       GO:0005654         1 13 1   3   
1 A GO       GO:0005654         1 14 1   3   
1 A GO       GO:0005654         1 15 1   3   
1 A GO       GO:0005654         1 16 1   3   
1 A GO       GO:0005654         1 17 1   3   
1 A GO       GO:0005654         1 18 1   3   
1 A GO       GO:0005654         1 19 1   3   
1 A GO       GO:0005654         1 20 1   3   
1 A GO       GO:0005654         1 21 1   3   
1 A GO       GO:0005654         1 22 1   3   
1 A GO       GO:0005654         1 23 1   3   
1 A GO       GO:0005654         1 24 1   3   
1 A GO       GO:0005654         1 25 1   3   
1 A GO       GO:0005654         1 26 1   3   
1 A GO       GO:0005654         1 27 1   3   
1 A GO       GO:0005654         1 28 1   3   
1 A GO       GO:0005654         1 29 1   3   
1 A GO       GO:0005654         1 30 1   3   
1 A GO       GO:0005654         1 31 1   3   
1 A GO       GO:0005654         1 32 1   3   
1 A GO       GO:0005654         1 33 1   3   
1 A GO       GO:0005654         1 34 1   3   
1 A GO       GO:0005654         1 35 1   3   
1 A GO       GO:0005654         1 36 1   3   
1 A GO       GO:0005654         1 37 1   3   
1 A GO       GO:0005654         1 38 1   3   
1 A GO       GO:0005654         1 39 1   3   
1 A GO       GO:0005654         1 40 1   3   
1 A GO       GO:0005654         1 41 1   3   
1 A GO       GO:0005654         1 42 1   3   
1 A GO       GO:0005654         1 43 1   3   
1 A GO       GO:0005654         1 44 1   3   
1 A GO       GO:0005654         1 45 1   3   
1 A GO       GO:0005654         1 46 1   3   
1 A GO       GO:0005654         1 47 1   3   
1 A GO       GO:0005654         1 48 1   3   
1 A GO       GO:0005654         1 49 1   3   
1 A GO       GO:0005694         1 50 1   3   
1 A GO       GO:0005694         1 51 1   3   
1 A GO       GO:0032991         1 52 1   3   
1 A GO       GO:0005654         1 53 1   3   
1 A GO       GO:0005654         1 54 1   3   
1 A GO       GO:0000786         2 1  4   139 
1 A GO       GO:0000786         2 2  4   139 
1 A GO       GO:0000786         2 3  4   139 
1 A GO       GO:0003677         2 4  4   139 
1 A GO       GO:0005515         2 5  4   139 
1 A GO       GO:0005515         2 6  4   139 
1 A GO       GO:0005515         2 7  4   139 
1 A GO       GO:0005634         2 8  4   139 
1 A GO       GO:0005634         2 9  4   139 
1 A GO       GO:0005634         2 10 4   139 
1 A GO       GO:0005634         2 11 4   139 
1 A GO       GO:0005654         2 12 4   139 
1 A GO       GO:0005654         2 13 4   139 
1 A GO       GO:0005654         2 14 4   139 
1 A GO       GO:0005654         2 15 4   139 
1 A GO       GO:0005654         2 16 4   139 
1 A GO       GO:0005654         2 17 4   139 
1 A GO       GO:0005654         2 18 4   139 
1 A GO       GO:0005654         2 19 4   139 
1 A GO       GO:0005654         2 20 4   139 
1 A GO       GO:0005654         2 21 4   139 
1 A GO       GO:0005654         2 22 4   139 
1 A GO       GO:0005654         2 23 4   139 
1 A GO       GO:0005654         2 24 4   139 
1 A GO       GO:0005654         2 25 4   139 
1 A GO       GO:0005654         2 26 4   139 
1 A GO       GO:0005654         2 27 4   139 
1 A GO       GO:0005654         2 28 4   139 
1 A GO       GO:0005654         2 29 4   139 
1 A GO       GO:0005654         2 30 4   139 
1 A GO       GO:0005654         2 31 4   139 
1 A GO       GO:0005654         2 32 4   139 
1 A GO       GO:0005654         2 33 4   139 
1 A GO       GO:0005654         2 34 4   139 
1 A GO       GO:0005654         2 35 4   139 
1 A GO       GO:0005654         2 36 4   139 
1 A GO       GO:0005654         2 37 4   139 
1 A GO       GO:0005654         2 38 4   139 
1 A GO       GO:0005654         2 39 4   139 
1 A GO       GO:0005654         2 40 4   139 
1 A GO       GO:0005654         2 41 4   139 
1 A GO       GO:0005654         2 42 4   139 
1 A GO       GO:0005654         2 43 4   139 
1 A GO       GO:0005654         2 44 4   139 
1 A GO       GO:0005654         2 45 4   139 
1 A GO       GO:0005654         2 46 4   139 
1 A GO       GO:0005654         2 47 4   139 
1 A GO       GO:0005654         2 48 4   139 
1 A GO       GO:0005654         2 49 4   139 
1 A GO       GO:0005654         2 50 4   139 
1 A GO       GO:0005654         2 51 4   139 
1 A GO       GO:0005694         2 52 4   139 
1 A GO       GO:0005694         2 53 4   139 
1 A GO       GO:0032991         2 54 4   139 
1 A Ensembl  ENSMUSG00000069265 2 55 4   139 
1 A Ensembl  ENSMUSG00000099517 2 56 4   139 
1 A Ensembl  ENSMUSG00000101972 2 57 4   139 
1 A Ensembl  ENSMUSG00000101355 2 58 4   139 
1 A InterPro IPR000164          2 59 20  34  
1 A InterPro IPR000164          2 60 18  24  
1 A InterPro IPR000164          2 61 6   20  
1 A InterPro IPR000164          2 62 101 117 
1 A InterPro IPR000164          2 63 70  78  
1 A InterPro IPR007125          2 64 4   135 
1 A InterPro IPR000164          2 65 37  139 
1 A InterPro IPR009072          2 66 5   136 
1 A InterPro IPR000164          2 67 117 138 
1 A InterPro IPR000164          2 68 61  78  
1 A InterPro IPR000164          2 69 4   137 
1 A InterPro IPR009072          2 70 5   139 
1 A InterPro IPR000164          2 71 37  58  
1 A InterPro IPR000164          2 72 83  101 
1 A CATH     1.10.20.10         2 73 42  138 
1 A SCOP2B   8098904            2 74 42  138 
1 A Pfam     PF00125            2 75 4   135 
2 B GO       GO:0000786         1 1  1   3   
2 B GO       GO:0000786         1 2  1   3   
2 B GO       GO:0000786         1 3  1   3   
2 B GO       GO:0000786         1 4  1   3   
2 B GO       GO:0003677         1 5  1   3   
2 B GO       GO:0003677         1 6  1   3   
2 B GO       GO:0003677         1 7  1   3   
2 B GO       GO:0005515         1 8  1   3   
2 B GO       GO:0005515         1 9  1   3   
2 B GO       GO:0005515         1 10 1   3   
2 B GO       GO:0005634         1 11 1   3   
2 B GO       GO:0005634         1 12 1   3   
2 B GO       GO:0005634         1 13 1   3   
2 B GO       GO:0005634         1 14 1   3   
2 B GO       GO:0005654         1 15 1   3   
2 B GO       GO:0005654         1 16 1   3   
2 B GO       GO:0005654         1 17 1   3   
2 B GO       GO:0005654         1 18 1   3   
2 B GO       GO:0005654         1 19 1   3   
2 B GO       GO:0005654         1 20 1   3   
2 B GO       GO:0005654         1 21 1   3   
2 B GO       GO:0005654         1 22 1   3   
2 B GO       GO:0005654         1 23 1   3   
2 B GO       GO:0005654         1 24 1   3   
2 B GO       GO:0005654         1 25 1   3   
2 B GO       GO:0005654         1 26 1   3   
2 B GO       GO:0005654         1 27 1   3   
2 B GO       GO:0005654         1 28 1   3   
2 B GO       GO:0005654         1 29 1   3   
2 B GO       GO:0005654         1 30 1   3   
2 B GO       GO:0005654         1 31 1   3   
2 B GO       GO:0005654         1 32 1   3   
2 B GO       GO:0005654         1 33 1   3   
2 B GO       GO:0005654         1 34 1   3   
2 B GO       GO:0005654         1 35 1   3   
2 B GO       GO:0005654         1 36 1   3   
2 B GO       GO:0005654         1 37 1   3   
2 B GO       GO:0005654         1 38 1   3   
2 B GO       GO:0005654         1 39 1   3   
2 B GO       GO:0005654         1 40 1   3   
2 B GO       GO:0005654         1 41 1   3   
2 B GO       GO:0005654         1 42 1   3   
2 B GO       GO:0005654         1 43 1   3   
2 B GO       GO:0005654         1 44 1   3   
2 B GO       GO:0005654         1 45 1   3   
2 B GO       GO:0005654         1 46 1   3   
2 B GO       GO:0005654         1 47 1   3   
2 B GO       GO:0005654         1 48 1   3   
2 B GO       GO:0005654         1 49 1   3   
2 B GO       GO:0005654         1 50 1   3   
2 B GO       GO:0005654         1 51 1   3   
2 B GO       GO:0005654         1 52 1   3   
2 B GO       GO:0005654         1 53 1   3   
2 B GO       GO:0005654         1 54 1   3   
2 B GO       GO:0005654         1 55 1   3   
2 B GO       GO:0005694         1 56 1   3   
2 B GO       GO:0006334         1 57 1   3   
2 B GO       GO:0006334         1 58 1   3   
2 B GO       GO:0030527         1 59 1   3   
2 B GO       GO:0043505         1 60 1   3   
2 B GO       GO:0043505         1 61 1   3   
2 B GO       GO:0061644         1 62 1   3   
2 B GO       GO:0032991         1 63 1   3   
2 B GO       GO:0005694         1 64 1   3   
2 B GO       GO:0000786         2 1  4   106 
2 B GO       GO:0000786         2 2  4   106 
2 B GO       GO:0000786         2 3  4   106 
2 B GO       GO:0000786         2 4  4   106 
2 B GO       GO:0003677         2 5  4   106 
2 B GO       GO:0003677         2 6  4   106 
2 B GO       GO:0003677         2 7  4   106 
2 B GO       GO:0005515         2 8  4   106 
2 B GO       GO:0005515         2 9  4   106 
2 B GO       GO:0005515         2 10 4   106 
2 B GO       GO:0005634         2 11 4   106 
2 B GO       GO:0005634         2 12 4   106 
2 B GO       GO:0005634         2 13 4   106 
2 B GO       GO:0005634         2 14 4   106 
2 B GO       GO:0005654         2 15 4   106 
2 B GO       GO:0005654         2 16 4   106 
2 B GO       GO:0005654         2 17 4   106 
2 B GO       GO:0005654         2 18 4   106 
2 B GO       GO:0005654         2 19 4   106 
2 B GO       GO:0005654         2 20 4   106 
2 B GO       GO:0005654         2 21 4   106 
2 B GO       GO:0005654         2 22 4   106 
2 B GO       GO:0005654         2 23 4   106 
2 B GO       GO:0005654         2 24 4   106 
2 B GO       GO:0005654         2 25 4   106 
2 B GO       GO:0005654         2 26 4   106 
2 B GO       GO:0005654         2 27 4   106 
2 B GO       GO:0005654         2 28 4   106 
2 B GO       GO:0005654         2 29 4   106 
2 B GO       GO:0005654         2 30 4   106 
2 B GO       GO:0005654         2 31 4   106 
2 B GO       GO:0005654         2 32 4   106 
2 B GO       GO:0005654         2 33 4   106 
2 B GO       GO:0005654         2 34 4   106 
2 B GO       GO:0005654         2 35 4   106 
2 B GO       GO:0005654         2 36 4   106 
2 B GO       GO:0005654         2 37 4   106 
2 B GO       GO:0005654         2 38 4   106 
2 B GO       GO:0005654         2 39 4   106 
2 B GO       GO:0005654         2 40 4   106 
2 B GO       GO:0005654         2 41 4   106 
2 B GO       GO:0005654         2 42 4   106 
2 B GO       GO:0005654         2 43 4   106 
2 B GO       GO:0005654         2 44 4   106 
2 B GO       GO:0005654         2 45 4   106 
2 B GO       GO:0005654         2 46 4   106 
2 B GO       GO:0005654         2 47 4   106 
2 B GO       GO:0005654         2 48 4   106 
2 B GO       GO:0005654         2 49 4   106 
2 B GO       GO:0005654         2 50 4   106 
2 B GO       GO:0005654         2 51 4   106 
2 B GO       GO:0005654         2 52 4   106 
2 B GO       GO:0005654         2 53 4   106 
2 B GO       GO:0005654         2 54 4   106 
2 B GO       GO:0005654         2 55 4   106 
2 B GO       GO:0005694         2 56 4   106 
2 B GO       GO:0005694         2 57 4   106 
2 B GO       GO:0006334         2 58 4   106 
2 B GO       GO:0006334         2 59 4   106 
2 B GO       GO:0030527         2 60 4   106 
2 B GO       GO:0032991         2 61 4   106 
2 B GO       GO:0043505         2 62 4   106 
2 B GO       GO:0043505         2 63 4   106 
2 B GO       GO:0061644         2 64 4   106 
2 B Ensembl  ENSMUSG00000067455 2 65 4   106 
2 B Ensembl  ENSMUSG00000064288 2 66 4   106 
2 B Ensembl  ENSMUSG00000096010 2 67 4   106 
2 B Ensembl  ENSMUSG00000060981 2 68 4   106 
2 B Ensembl  ENSMUSG00000061482 2 69 4   106 
2 B Ensembl  ENSMUSG00000069266 2 70 4   106 
2 B Ensembl  ENSMUSG00000069306 2 71 4   106 
2 B Ensembl  ENSMUSG00000060678 2 72 4   106 
2 B Ensembl  ENSMUSG00000091405 2 73 4   106 
2 B Ensembl  ENSMUSG00000069305 2 74 4   106 
2 B Ensembl  ENSMUSG00000060639 2 75 4   106 
2 B Ensembl  ENSMUSG00000069274 2 76 4   106 
2 B Ensembl  ENSMUSG00000060093 2 77 4   106 
2 B InterPro IPR009072          2 78 5   106 
2 B InterPro IPR001951          2 79 23  42  
2 B InterPro IPR001951          2 80 43  63  
2 B InterPro IPR035425          2 81 42  99  
2 B InterPro IPR001951          2 82 19  93  
2 B InterPro IPR019809          2 83 18  22  
2 B InterPro IPR001951          2 84 80  92  
2 B InterPro IPR004823          2 85 31  96  
2 B InterPro IPR001951          2 86 92  103 
2 B InterPro IPR001951          2 87 65  79  
2 B InterPro IPR009072          2 88 6   105 
2 B InterPro IPR001951          2 89 21  104 
2 B InterPro IPR001951          2 90 21  104 
2 B InterPro IPR001951          2 91 8   19  
2 B CATH     1.10.20.10         2 92 29  106 
2 B SCOP2B   8036807            2 93 29  106 
2 B Pfam     PF15511            2 94 21  102 
3 C GO       GO:0000786         1 1  1   3   
3 C GO       GO:0000786         1 2  1   3   
3 C GO       GO:0000786         1 3  1   3   
3 C GO       GO:0003677         1 4  1   3   
3 C GO       GO:0005634         1 5  1   3   
3 C GO       GO:0005634         1 6  1   3   
3 C GO       GO:0005634         1 7  1   3   
3 C GO       GO:0005634         1 8  1   3   
3 C GO       GO:0005694         1 9  1   3   
3 C GO       GO:0005694         1 10 1   3   
3 C GO       GO:0043505         1 11 1   3   
3 C GO       GO:0043505         1 12 1   3   
3 C GO       GO:0061644         1 13 1   3   
3 C GO       GO:0003677         1 14 1   3   
3 C GO       GO:0000786         2 1  4   133 
3 C GO       GO:0000786         2 2  4   133 
3 C GO       GO:0000786         2 3  4   133 
3 C GO       GO:0003677         2 4  4   133 
3 C GO       GO:0003677         2 5  4   133 
3 C GO       GO:0005634         2 6  4   133 
3 C GO       GO:0005634         2 7  4   133 
3 C GO       GO:0005634         2 8  4   133 
3 C GO       GO:0005634         2 9  4   133 
3 C GO       GO:0005694         2 10 4   133 
3 C GO       GO:0005694         2 11 4   133 
3 C GO       GO:0043505         2 12 4   133 
3 C GO       GO:0043505         2 13 4   133 
3 C GO       GO:0061644         2 14 4   133 
3 C Ensembl  ENSMUSG00000094248 2 15 4   133 
3 C Ensembl  ENSMUSG00000069272 2 16 4   133 
3 C Ensembl  ENSMUSG00000071478 2 17 4   133 
3 C Ensembl  ENSMUSG00000069270 2 18 4   133 
3 C Ensembl  ENSMUSG00000061615 2 19 4   133 
3 C Ensembl  ENSMUSG00000071516 2 20 4   133 
3 C Ensembl  ENSMUSG00000069309 2 21 4   133 
3 C Ensembl  ENSMUSG00000094777 2 22 4   133 
3 C Ensembl  ENSMUSG00000069301 2 23 4   133 
3 C InterPro IPR002119          2 24 6   126 
3 C InterPro IPR009072          2 25 4   102 
3 C InterPro IPR009072          2 26 5   133 
3 C InterPro IPR032458          2 27 25  31  
3 C InterPro IPR002119          2 28 46  61  
3 C InterPro IPR002119          2 29 9   123 
3 C InterPro IPR002119          2 30 9   123 
3 C InterPro IPR002119          2 31 12  124 
3 C InterPro IPR032454          2 32 95  129 
3 C InterPro IPR002119          2 33 61  74  
3 C InterPro IPR002119          2 34 17  39  
3 C InterPro IPR002119          2 35 103 121 
3 C InterPro IPR002119          2 36 75  89  
3 C InterPro IPR007125          2 37 7   92  
3 C CATH     1.10.20.10         2 38 15  122 
3 C SCOP2    8067133            2 39 15  122 
3 C SCOP2    8067134            2 40 15  122 
3 C Pfam     PF00125            2 41 5   94  
3 C Pfam     PF16211            2 42 95  129 
4 D GO       GO:0000786         1 1  1   3   
4 D GO       GO:0003677         1 2  1   3   
4 D GO       GO:0005634         1 3  1   3   
4 D GO       GO:0005634         1 4  1   3   
4 D GO       GO:0005634         1 5  1   3   
4 D GO       GO:0005654         1 6  1   3   
4 D GO       GO:0005654         1 7  1   3   
4 D GO       GO:0005694         1 8  1   3   
4 D GO       GO:0005694         1 9  1   3   
4 D GO       GO:0005829         1 10 1   3   
4 D InterPro IPR009072          1 11 1   3   
4 D GO       GO:0000786         2 1  4   129 
4 D GO       GO:0003677         2 2  4   129 
4 D GO       GO:0005634         2 3  4   129 
4 D GO       GO:0005634         2 4  4   129 
4 D GO       GO:0005634         2 5  4   129 
4 D GO       GO:0005654         2 6  4   129 
4 D GO       GO:0005654         2 7  4   129 
4 D GO       GO:0005694         2 8  4   129 
4 D GO       GO:0005694         2 9  4   129 
4 D GO       GO:0005829         2 10 4   129 
4 D Ensembl  ENSMUSG00000056895 2 11 4   129 
4 D InterPro IPR000558          2 12 11  127 
4 D InterPro IPR009072          2 13 4   129 
4 D InterPro IPR000558          2 14 112 125 
4 D InterPro IPR000558          2 15 82  99  
4 D InterPro IPR000558          2 16 96  118 
4 D InterPro IPR007125          2 17 11  104 
4 D InterPro IPR000558          2 18 60  80  
4 D InterPro IPR000558          2 19 41  59  
4 D InterPro IPR000558          2 20 99  112 
4 D InterPro IPR000558          2 21 31  127 
4 D InterPro IPR009072          2 22 11  129 
4 D CATH     1.10.20.10         2 23 36  128 
4 D SCOP2B   8032751            2 24 37  128 
4 D Pfam     PF00125            2 25 5   105 
1 E GO       GO:0000786         1 1  1   3   
1 E GO       GO:0000786         1 2  1   3   
1 E GO       GO:0000786         1 3  1   3   
1 E GO       GO:0003677         1 4  1   3   
1 E GO       GO:0005515         1 5  1   3   
1 E GO       GO:0005515         1 6  1   3   
1 E GO       GO:0005515         1 7  1   3   
1 E GO       GO:0005634         1 8  1   3   
1 E GO       GO:0005634         1 9  1   3   
1 E GO       GO:0005634         1 10 1   3   
1 E GO       GO:0005634         1 11 1   3   
1 E GO       GO:0005654         1 12 1   3   
1 E GO       GO:0005654         1 13 1   3   
1 E GO       GO:0005654         1 14 1   3   
1 E GO       GO:0005654         1 15 1   3   
1 E GO       GO:0005654         1 16 1   3   
1 E GO       GO:0005654         1 17 1   3   
1 E GO       GO:0005654         1 18 1   3   
1 E GO       GO:0005654         1 19 1   3   
1 E GO       GO:0005654         1 20 1   3   
1 E GO       GO:0005654         1 21 1   3   
1 E GO       GO:0005654         1 22 1   3   
1 E GO       GO:0005654         1 23 1   3   
1 E GO       GO:0005654         1 24 1   3   
1 E GO       GO:0005654         1 25 1   3   
1 E GO       GO:0005654         1 26 1   3   
1 E GO       GO:0005654         1 27 1   3   
1 E GO       GO:0005654         1 28 1   3   
1 E GO       GO:0005654         1 29 1   3   
1 E GO       GO:0005654         1 30 1   3   
1 E GO       GO:0005654         1 31 1   3   
1 E GO       GO:0005654         1 32 1   3   
1 E GO       GO:0005654         1 33 1   3   
1 E GO       GO:0005654         1 34 1   3   
1 E GO       GO:0005654         1 35 1   3   
1 E GO       GO:0005654         1 36 1   3   
1 E GO       GO:0005654         1 37 1   3   
1 E GO       GO:0005654         1 38 1   3   
1 E GO       GO:0005654         1 39 1   3   
1 E GO       GO:0005654         1 40 1   3   
1 E GO       GO:0005654         1 41 1   3   
1 E GO       GO:0005654         1 42 1   3   
1 E GO       GO:0005654         1 43 1   3   
1 E GO       GO:0005654         1 44 1   3   
1 E GO       GO:0005654         1 45 1   3   
1 E GO       GO:0005654         1 46 1   3   
1 E GO       GO:0005654         1 47 1   3   
1 E GO       GO:0005654         1 48 1   3   
1 E GO       GO:0005654         1 49 1   3   
1 E GO       GO:0005654         1 50 1   3   
1 E GO       GO:0005654         1 51 1   3   
1 E GO       GO:0005694         1 52 1   3   
1 E GO       GO:0032991         1 53 1   3   
1 E GO       GO:0005694         1 54 1   3   
1 E GO       GO:0000786         2 1  4   139 
1 E GO       GO:0000786         2 2  4   139 
1 E GO       GO:0000786         2 3  4   139 
1 E GO       GO:0003677         2 4  4   139 
1 E GO       GO:0005515         2 5  4   139 
1 E GO       GO:0005515         2 6  4   139 
1 E GO       GO:0005515         2 7  4   139 
1 E GO       GO:0005634         2 8  4   139 
1 E GO       GO:0005634         2 9  4   139 
1 E GO       GO:0005634         2 10 4   139 
1 E GO       GO:0005634         2 11 4   139 
1 E GO       GO:0005654         2 12 4   139 
1 E GO       GO:0005654         2 13 4   139 
1 E GO       GO:0005654         2 14 4   139 
1 E GO       GO:0005654         2 15 4   139 
1 E GO       GO:0005654         2 16 4   139 
1 E GO       GO:0005654         2 17 4   139 
1 E GO       GO:0005654         2 18 4   139 
1 E GO       GO:0005654         2 19 4   139 
1 E GO       GO:0005654         2 20 4   139 
1 E GO       GO:0005654         2 21 4   139 
1 E GO       GO:0005654         2 22 4   139 
1 E GO       GO:0005654         2 23 4   139 
1 E GO       GO:0005654         2 24 4   139 
1 E GO       GO:0005654         2 25 4   139 
1 E GO       GO:0005654         2 26 4   139 
1 E GO       GO:0005654         2 27 4   139 
1 E GO       GO:0005654         2 28 4   139 
1 E GO       GO:0005654         2 29 4   139 
1 E GO       GO:0005654         2 30 4   139 
1 E GO       GO:0005654         2 31 4   139 
1 E GO       GO:0005654         2 32 4   139 
1 E GO       GO:0005654         2 33 4   139 
1 E GO       GO:0005654         2 34 4   139 
1 E GO       GO:0005654         2 35 4   139 
1 E GO       GO:0005654         2 36 4   139 
1 E GO       GO:0005654         2 37 4   139 
1 E GO       GO:0005654         2 38 4   139 
1 E GO       GO:0005654         2 39 4   139 
1 E GO       GO:0005654         2 40 4   139 
1 E GO       GO:0005654         2 41 4   139 
1 E GO       GO:0005654         2 42 4   139 
1 E GO       GO:0005654         2 43 4   139 
1 E GO       GO:0005654         2 44 4   139 
1 E GO       GO:0005654         2 45 4   139 
1 E GO       GO:0005654         2 46 4   139 
1 E GO       GO:0005654         2 47 4   139 
1 E GO       GO:0005654         2 48 4   139 
1 E GO       GO:0005654         2 49 4   139 
1 E GO       GO:0005654         2 50 4   139 
1 E GO       GO:0005654         2 51 4   139 
1 E GO       GO:0005694         2 52 4   139 
1 E GO       GO:0005694         2 53 4   139 
1 E GO       GO:0032991         2 54 4   139 
1 E Ensembl  ENSMUSG00000101972 2 55 4   139 
1 E Ensembl  ENSMUSG00000069265 2 56 4   139 
1 E Ensembl  ENSMUSG00000099517 2 57 4   139 
1 E Ensembl  ENSMUSG00000101355 2 58 4   139 
1 E InterPro IPR000164          2 59 117 138 
1 E InterPro IPR000164          2 60 6   20  
1 E InterPro IPR000164          2 61 61  78  
1 E InterPro IPR000164          2 62 83  101 
1 E InterPro IPR000164          2 63 101 117 
1 E InterPro IPR000164          2 64 4   137 
1 E InterPro IPR000164          2 65 70  78  
1 E InterPro IPR007125          2 66 4   135 
1 E InterPro IPR000164          2 67 37  139 
1 E InterPro IPR009072          2 68 5   139 
1 E InterPro IPR000164          2 69 20  34  
1 E InterPro IPR009072          2 70 5   136 
1 E InterPro IPR000164          2 71 18  24  
1 E InterPro IPR000164          2 72 37  58  
1 E CATH     1.10.20.10         2 73 42  138 
1 E SCOP2B   8098904            2 74 42  138 
1 E Pfam     PF00125            2 75 4   135 
2 F GO       GO:0000786         1 1  1   3   
2 F GO       GO:0000786         1 2  1   3   
2 F GO       GO:0000786         1 3  1   3   
2 F GO       GO:0000786         1 4  1   3   
2 F GO       GO:0003677         1 5  1   3   
2 F GO       GO:0003677         1 6  1   3   
2 F GO       GO:0003677         1 7  1   3   
2 F GO       GO:0005515         1 8  1   3   
2 F GO       GO:0005515         1 9  1   3   
2 F GO       GO:0005634         1 10 1   3   
2 F GO       GO:0005634         1 11 1   3   
2 F GO       GO:0005634         1 12 1   3   
2 F GO       GO:0005654         1 13 1   3   
2 F GO       GO:0005654         1 14 1   3   
2 F GO       GO:0005654         1 15 1   3   
2 F GO       GO:0005654         1 16 1   3   
2 F GO       GO:0005654         1 17 1   3   
2 F GO       GO:0005654         1 18 1   3   
2 F GO       GO:0005654         1 19 1   3   
2 F GO       GO:0005654         1 20 1   3   
2 F GO       GO:0005654         1 21 1   3   
2 F GO       GO:0005654         1 22 1   3   
2 F GO       GO:0005654         1 23 1   3   
2 F GO       GO:0005654         1 24 1   3   
2 F GO       GO:0005654         1 25 1   3   
2 F GO       GO:0005654         1 26 1   3   
2 F GO       GO:0005654         1 27 1   3   
2 F GO       GO:0005654         1 28 1   3   
2 F GO       GO:0005654         1 29 1   3   
2 F GO       GO:0005654         1 30 1   3   
2 F GO       GO:0005654         1 31 1   3   
2 F GO       GO:0005654         1 32 1   3   
2 F GO       GO:0005654         1 33 1   3   
2 F GO       GO:0005654         1 34 1   3   
2 F GO       GO:0005654         1 35 1   3   
2 F GO       GO:0005654         1 36 1   3   
2 F GO       GO:0005654         1 37 1   3   
2 F GO       GO:0005654         1 38 1   3   
2 F GO       GO:0005654         1 39 1   3   
2 F GO       GO:0005654         1 40 1   3   
2 F GO       GO:0005654         1 41 1   3   
2 F GO       GO:0005654         1 42 1   3   
2 F GO       GO:0005654         1 43 1   3   
2 F GO       GO:0005515         1 44 1   3   
2 F GO       GO:0005634         1 45 1   3   
2 F GO       GO:0005654         1 46 1   3   
2 F GO       GO:0005654         1 47 1   3   
2 F GO       GO:0005654         1 48 1   3   
2 F GO       GO:0005654         1 49 1   3   
2 F GO       GO:0005654         1 50 1   3   
2 F GO       GO:0005654         1 51 1   3   
2 F GO       GO:0005654         1 52 1   3   
2 F GO       GO:0005654         1 53 1   3   
2 F GO       GO:0005654         1 54 1   3   
2 F GO       GO:0005654         1 55 1   3   
2 F GO       GO:0005694         1 56 1   3   
2 F GO       GO:0005694         1 57 1   3   
2 F GO       GO:0006334         1 58 1   3   
2 F GO       GO:0030527         1 59 1   3   
2 F GO       GO:0032991         1 60 1   3   
2 F GO       GO:0043505         1 61 1   3   
2 F GO       GO:0043505         1 62 1   3   
2 F GO       GO:0061644         1 63 1   3   
2 F GO       GO:0006334         1 64 1   3   
2 F GO       GO:0000786         2 1  4   106 
2 F GO       GO:0000786         2 2  4   106 
2 F GO       GO:0000786         2 3  4   106 
2 F GO       GO:0000786         2 4  4   106 
2 F GO       GO:0003677         2 5  4   106 
2 F GO       GO:0003677         2 6  4   106 
2 F GO       GO:0003677         2 7  4   106 
2 F GO       GO:0005515         2 8  4   106 
2 F GO       GO:0005515         2 9  4   106 
2 F GO       GO:0005515         2 10 4   106 
2 F GO       GO:0005634         2 11 4   106 
2 F GO       GO:0005634         2 12 4   106 
2 F GO       GO:0005634         2 13 4   106 
2 F GO       GO:0005634         2 14 4   106 
2 F GO       GO:0005654         2 15 4   106 
2 F GO       GO:0005654         2 16 4   106 
2 F GO       GO:0005654         2 17 4   106 
2 F GO       GO:0005654         2 18 4   106 
2 F GO       GO:0005654         2 19 4   106 
2 F GO       GO:0005654         2 20 4   106 
2 F GO       GO:0005654         2 21 4   106 
2 F GO       GO:0005654         2 22 4   106 
2 F GO       GO:0005654         2 23 4   106 
2 F GO       GO:0005654         2 24 4   106 
2 F GO       GO:0005654         2 25 4   106 
2 F GO       GO:0005654         2 26 4   106 
2 F GO       GO:0005654         2 27 4   106 
2 F GO       GO:0005654         2 28 4   106 
2 F GO       GO:0005654         2 29 4   106 
2 F GO       GO:0005654         2 30 4   106 
2 F GO       GO:0005654         2 31 4   106 
2 F GO       GO:0005654         2 32 4   106 
2 F GO       GO:0005654         2 33 4   106 
2 F GO       GO:0005654         2 34 4   106 
2 F GO       GO:0005654         2 35 4   106 
2 F GO       GO:0005654         2 36 4   106 
2 F GO       GO:0005654         2 37 4   106 
2 F GO       GO:0005654         2 38 4   106 
2 F GO       GO:0005654         2 39 4   106 
2 F GO       GO:0005654         2 40 4   106 
2 F GO       GO:0005654         2 41 4   106 
2 F GO       GO:0005654         2 42 4   106 
2 F GO       GO:0005654         2 43 4   106 
2 F GO       GO:0005654         2 44 4   106 
2 F GO       GO:0005654         2 45 4   106 
2 F GO       GO:0005654         2 46 4   106 
2 F GO       GO:0005654         2 47 4   106 
2 F GO       GO:0005654         2 48 4   106 
2 F GO       GO:0005654         2 49 4   106 
2 F GO       GO:0005654         2 50 4   106 
2 F GO       GO:0005654         2 51 4   106 
2 F GO       GO:0005654         2 52 4   106 
2 F GO       GO:0005654         2 53 4   106 
2 F GO       GO:0005654         2 54 4   106 
2 F GO       GO:0005654         2 55 4   106 
2 F GO       GO:0005694         2 56 4   106 
2 F GO       GO:0005694         2 57 4   106 
2 F GO       GO:0006334         2 58 4   106 
2 F GO       GO:0006334         2 59 4   106 
2 F GO       GO:0030527         2 60 4   106 
2 F GO       GO:0032991         2 61 4   106 
2 F GO       GO:0043505         2 62 4   106 
2 F GO       GO:0043505         2 63 4   106 
2 F GO       GO:0061644         2 64 4   106 
2 F Ensembl  ENSMUSG00000060981 2 65 4   106 
2 F Ensembl  ENSMUSG00000069266 2 66 4   106 
2 F Ensembl  ENSMUSG00000069274 2 67 4   106 
2 F Ensembl  ENSMUSG00000060093 2 68 4   106 
2 F Ensembl  ENSMUSG00000091405 2 69 4   106 
2 F Ensembl  ENSMUSG00000069306 2 70 4   106 
2 F Ensembl  ENSMUSG00000064288 2 71 4   106 
2 F Ensembl  ENSMUSG00000069305 2 72 4   106 
2 F Ensembl  ENSMUSG00000060639 2 73 4   106 
2 F Ensembl  ENSMUSG00000061482 2 74 4   106 
2 F Ensembl  ENSMUSG00000096010 2 75 4   106 
2 F Ensembl  ENSMUSG00000067455 2 76 4   106 
2 F Ensembl  ENSMUSG00000060678 2 77 4   106 
2 F InterPro IPR001951          2 78 65  79  
2 F InterPro IPR019809          2 79 18  22  
2 F InterPro IPR001951          2 80 92  103 
2 F InterPro IPR009072          2 81 5   106 
2 F InterPro IPR001951          2 82 43  63  
2 F InterPro IPR004823          2 83 31  96  
2 F InterPro IPR035425          2 84 42  99  
2 F InterPro IPR001951          2 85 21  104 
2 F InterPro IPR001951          2 86 21  104 
2 F InterPro IPR001951          2 87 8   19  
2 F InterPro IPR001951          2 88 19  93  
2 F InterPro IPR009072          2 89 6   105 
2 F InterPro IPR001951          2 90 80  92  
2 F InterPro IPR001951          2 91 23  42  
2 F CATH     1.10.20.10         2 92 23  106 
2 F SCOP2B   8036807            2 93 27  106 
2 F Pfam     PF15511            2 94 21  102 
3 G GO       GO:0000786         1 1  1   3   
3 G GO       GO:0000786         1 2  1   3   
3 G GO       GO:0000786         1 3  1   3   
3 G GO       GO:0003677         1 4  1   3   
3 G GO       GO:0003677         1 5  1   3   
3 G GO       GO:0005634         1 6  1   3   
3 G GO       GO:0005634         1 7  1   3   
3 G GO       GO:0005634         1 8  1   3   
3 G GO       GO:0005634         1 9  1   3   
3 G GO       GO:0005694         1 10 1   3   
3 G GO       GO:0005694         1 11 1   3   
3 G GO       GO:0043505         1 12 1   3   
3 G GO       GO:0043505         1 13 1   3   
3 G GO       GO:0061644         1 14 1   3   
3 G GO       GO:0000786         2 1  4   133 
3 G GO       GO:0000786         2 2  4   133 
3 G GO       GO:0000786         2 3  4   133 
3 G GO       GO:0003677         2 4  4   133 
3 G GO       GO:0003677         2 5  4   133 
3 G GO       GO:0005634         2 6  4   133 
3 G GO       GO:0005634         2 7  4   133 
3 G GO       GO:0005634         2 8  4   133 
3 G GO       GO:0005634         2 9  4   133 
3 G GO       GO:0005694         2 10 4   133 
3 G GO       GO:0005694         2 11 4   133 
3 G GO       GO:0043505         2 12 4   133 
3 G GO       GO:0043505         2 13 4   133 
3 G GO       GO:0061644         2 14 4   133 
3 G Ensembl  ENSMUSG00000061615 2 15 4   133 
3 G Ensembl  ENSMUSG00000071516 2 16 4   133 
3 G Ensembl  ENSMUSG00000094777 2 17 4   133 
3 G Ensembl  ENSMUSG00000069272 2 18 4   133 
3 G Ensembl  ENSMUSG00000069309 2 19 4   133 
3 G Ensembl  ENSMUSG00000094248 2 20 4   133 
3 G Ensembl  ENSMUSG00000071478 2 21 4   133 
3 G Ensembl  ENSMUSG00000069301 2 22 4   133 
3 G Ensembl  ENSMUSG00000069270 2 23 4   133 
3 G InterPro IPR002119          2 24 103 121 
3 G InterPro IPR002119          2 25 46  61  
3 G InterPro IPR032454          2 26 95  129 
3 G InterPro IPR002119          2 27 12  124 
3 G InterPro IPR032458          2 28 25  31  
3 G InterPro IPR002119          2 29 17  39  
3 G InterPro IPR009072          2 30 4   102 
3 G InterPro IPR002119          2 31 75  89  
3 G InterPro IPR007125          2 32 7   92  
3 G InterPro IPR009072          2 33 5   133 
3 G InterPro IPR002119          2 34 9   123 
3 G InterPro IPR002119          2 35 9   123 
3 G InterPro IPR002119          2 36 61  74  
3 G InterPro IPR002119          2 37 6   126 
3 G CATH     1.10.20.10         2 38 19  122 
3 G SCOP2B   8067134            2 39 19  122 
3 G Pfam     PF00125            2 40 5   94  
3 G Pfam     PF16211            2 41 95  129 
4 H GO       GO:0000786         1 1  1   3   
4 H GO       GO:0003677         1 2  1   3   
4 H GO       GO:0005634         1 3  1   3   
4 H GO       GO:0005634         1 4  1   3   
4 H GO       GO:0005634         1 5  1   3   
4 H GO       GO:0005654         1 6  1   3   
4 H GO       GO:0005654         1 7  1   3   
4 H GO       GO:0005694         1 8  1   3   
4 H GO       GO:0005694         1 9  1   3   
4 H GO       GO:0005829         1 10 1   3   
4 H InterPro IPR009072          1 11 1   3   
4 H GO       GO:0000786         2 1  4   129 
4 H GO       GO:0003677         2 2  4   129 
4 H GO       GO:0005634         2 3  4   129 
4 H GO       GO:0005634         2 4  4   129 
4 H GO       GO:0005634         2 5  4   129 
4 H GO       GO:0005654         2 6  4   129 
4 H GO       GO:0005654         2 7  4   129 
4 H GO       GO:0005694         2 8  4   129 
4 H GO       GO:0005694         2 9  4   129 
4 H GO       GO:0005829         2 10 4   129 
4 H Ensembl  ENSMUSG00000056895 2 11 4   129 
4 H InterPro IPR007125          2 12 11  104 
4 H InterPro IPR000558          2 13 31  127 
4 H InterPro IPR000558          2 14 11  127 
4 H InterPro IPR009072          2 15 4   129 
4 H InterPro IPR000558          2 16 96  118 
4 H InterPro IPR000558          2 17 112 125 
4 H InterPro IPR000558          2 18 60  80  
4 H InterPro IPR000558          2 19 82  99  
4 H InterPro IPR000558          2 20 41  59  
4 H InterPro IPR000558          2 21 99  112 
4 H InterPro IPR009072          2 22 11  129 
4 H CATH     1.10.20.10         2 23 37  128 
4 H SCOP2B   8032751            2 24 37  128 
4 H Pfam     PF00125            2 25 5   105 
# 
_pdbx_percentile_list.entry_id   5B1L 
_pdbx_percentile_list.name       all,2.35,xray 
# 
loop_
_pdbx_percentile_view.entry_id 
_pdbx_percentile_view.conditions_id 
_pdbx_percentile_view.type 
_pdbx_percentile_view.conditions_label 
_pdbx_percentile_view.rank 
5B1L 1  all_atom_clashscore          absolute 49.0  
5B1L 2  all_atom_clashscore          relative 53.0  
5B1L 3  Ramachandran_outlier_percent absolute 100.0 
5B1L 4  Ramachandran_outlier_percent relative 100.0 
5B1L 5  rotamer_outliers_percent     absolute 93.8  
5B1L 6  rotamer_outliers_percent     relative 97.3  
5B1L 7  R_value_R_free               absolute 48.3  
5B1L 8  R_value_R_free               relative 68.7  
5B1L 9  RSRZ_outliers_percent        absolute 73.3  
5B1L 10 RSRZ_outliers_percent        relative 82.4  
# 
loop_
_pdbx_percentile_conditions.id 
_pdbx_percentile_conditions.number_entries_total 
_pdbx_percentile_conditions.ls_d_res_high 
_pdbx_percentile_conditions.ls_d_res_low 
1  122126 ?    ?    
2  1081   2.36 2.36 
3  120053 ?    ?    
4  1066   2.36 2.36 
5  120020 ?    ?    
6  1067   2.36 2.36 
7  111664 ?    ?    
8  1015   2.36 2.36 
9  108989 ?    ?    
10 1002   2.36 2.36 
# 
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 
9  RSRZ_outliers_percent        A 1 1 A absolute 81.96  
10 RSRZ_outliers_percent        A 1 1 A relative 89.42  
3  Ramachandran_outlier_percent A 1 1 A absolute 100.00 
4  Ramachandran_outlier_percent A 1 1 A relative 100.00 
5  rotamer_outliers_percent     A 1 1 A absolute 100.00 
6  rotamer_outliers_percent     A 1 1 A relative 100.00 
9  RSRZ_outliers_percent        E 1 1 E absolute 100.00 
10 RSRZ_outliers_percent        E 1 1 E relative 100.00 
3  Ramachandran_outlier_percent E 1 1 E absolute 100.00 
4  Ramachandran_outlier_percent E 1 1 E relative 100.00 
5  rotamer_outliers_percent     E 1 1 E absolute 100.00 
6  rotamer_outliers_percent     E 1 1 E relative 100.00 
9  RSRZ_outliers_percent        B 1 2 B absolute 55.60  
10 RSRZ_outliers_percent        B 1 2 B relative 66.17  
3  Ramachandran_outlier_percent B 1 2 B absolute 100.00 
4  Ramachandran_outlier_percent B 1 2 B relative 100.00 
5  rotamer_outliers_percent     B 1 2 B absolute 100.00 
6  rotamer_outliers_percent     B 1 2 B relative 100.00 
9  RSRZ_outliers_percent        F 1 2 F absolute 78.58  
10 RSRZ_outliers_percent        F 1 2 F relative 86.43  
3  Ramachandran_outlier_percent F 1 2 F absolute 100.00 
4  Ramachandran_outlier_percent F 1 2 F relative 100.00 
5  rotamer_outliers_percent     F 1 2 F absolute 69.44  
6  rotamer_outliers_percent     F 1 2 F relative 79.76  
9  RSRZ_outliers_percent        C 1 3 C absolute 52.70  
10 RSRZ_outliers_percent        C 1 3 C relative 64.57  
3  Ramachandran_outlier_percent C 1 3 C absolute 100.00 
4  Ramachandran_outlier_percent C 1 3 C relative 100.00 
5  rotamer_outliers_percent     C 1 3 C absolute 100.00 
6  rotamer_outliers_percent     C 1 3 C relative 100.00 
9  RSRZ_outliers_percent        G 1 3 G absolute 66.48  
10 RSRZ_outliers_percent        G 1 3 G relative 76.45  
3  Ramachandran_outlier_percent G 1 3 G absolute 100.00 
4  Ramachandran_outlier_percent G 1 3 G relative 100.00 
5  rotamer_outliers_percent     G 1 3 G absolute 100.00 
6  rotamer_outliers_percent     G 1 3 G relative 100.00 
9  RSRZ_outliers_percent        D 1 4 D absolute 100.00 
10 RSRZ_outliers_percent        D 1 4 D relative 100.00 
3  Ramachandran_outlier_percent D 1 4 D absolute 100.00 
4  Ramachandran_outlier_percent D 1 4 D relative 100.00 
5  rotamer_outliers_percent     D 1 4 D absolute 100.00 
6  rotamer_outliers_percent     D 1 4 D relative 100.00 
9  RSRZ_outliers_percent        H 1 4 H absolute 80.15  
10 RSRZ_outliers_percent        H 1 4 H relative 87.82  
3  Ramachandran_outlier_percent H 1 4 H absolute 100.00 
4  Ramachandran_outlier_percent H 1 4 H relative 100.00 
5  rotamer_outliers_percent     H 1 4 H absolute 100.00 
6  rotamer_outliers_percent     H 1 4 H relative 100.00 
9  RSRZ_outliers_percent        I 1 5 I absolute 63.22  
10 RSRZ_outliers_percent        I 1 5 I relative 74.55  
9  RSRZ_outliers_percent        J 1 5 J absolute 63.22  
10 RSRZ_outliers_percent        J 1 5 J relative 74.55  
# 
_pdbx_dcc_density.entry_id                   5B1L 
_pdbx_dcc_density.B_babinet                  102.147 
_pdbx_dcc_density.B_solvent                  45.454 
_pdbx_dcc_density.B_wilson                   39.225 
_pdbx_dcc_density.DCC_version                '2.23  (2018-02-06)' 
_pdbx_dcc_density.I_over_sigI_resh           2.59 
_pdbx_dcc_density.reflns_number_obs          75156 
_pdbx_dcc_density.K_babinet                  0.264 
_pdbx_dcc_density.K_solvent                  0.317 
_pdbx_dcc_density.Padilla-Yeates_L_mean      0.475 
_pdbx_dcc_density.Padilla-Yeates_L2_mean     0.304 
_pdbx_dcc_density.R_value_R_work             0.20 
_pdbx_dcc_density.R_value_R_free             0.24 
_pdbx_dcc_density.Rfree-Rwork                0.04 
_pdbx_dcc_density.aniso_B[1][1]              37.362 
_pdbx_dcc_density.aniso_B[2][2]              48.856 
_pdbx_dcc_density.aniso_B[3][3]              32.143 
_pdbx_dcc_density.aniso_B[1][2]              0.000 
_pdbx_dcc_density.aniso_B[1][3]              0.000 
_pdbx_dcc_density.aniso_B[2][3]              0.000 
_pdbx_dcc_density.anisotropy                 0.424 
_pdbx_dcc_density.error                      
;The largest off-origin peak in the Patterson function is 3.13% of the height of the origin peak. No significant pseudotranslation is detected.
;
_pdbx_dcc_density.iso_B_value_type           full 
_pdbx_dcc_density.ls_d_res_high              2.35 
_pdbx_dcc_density.ls_d_res_low               41.83 
_pdbx_dcc_density.reflns_outlier_acentric    2 
_pdbx_dcc_density.reflns_outlier_centric     1 
_pdbx_dcc_density.ls_percent_reflns_obs      97.62 
_pdbx_dcc_density.ls_number_reflns_R_free    3788 
_pdbx_dcc_density.ls_percent_reflns_R_free   5.04 
_pdbx_dcc_density.wavelength                 1.1 
# 
_pdbx_dcc_density_corr.ordinal                      1 
_pdbx_dcc_density_corr.program                      EDS 
_pdbx_dcc_density_corr.ls_d_res_high                2.35 
_pdbx_dcc_density_corr.ls_d_res_low                 48.59 
_pdbx_dcc_density_corr.ls_R_factor_R_work           0.21 
_pdbx_dcc_density_corr.ls_number_reflns_obs         75156 
_pdbx_dcc_density_corr.ls_percent_reflns_obs        97.62 
_pdbx_dcc_density_corr.ls_number_reflns_R_free      3788 
_pdbx_dcc_density_corr.ls_percent_reflns_R_free     5.04 
_pdbx_dcc_density_corr.correlation_coeff_Fo_to_Fc   0.943 
# 
_pdbx_dcc_geometry.entry_id                       5B1L 
_pdbx_dcc_geometry.Ramachandran_outlier_percent   0.00 
_pdbx_dcc_geometry.all_atom_clashscore            6.42 
_pdbx_dcc_geometry.angle_overall_rmsz             0.90 
_pdbx_dcc_geometry.bond_overall_rmsz              0.75 
_pdbx_dcc_geometry.number_angles                  18426 
_pdbx_dcc_geometry.number_bonds                   12727 
_pdbx_dcc_geometry.rotamer_outliers_percent       0.16 
# 
loop_
_pdbx_dcc_entity_geometry.label_asym_id 
_pdbx_dcc_entity_geometry.PDB_model_num 
_pdbx_dcc_entity_geometry.entity_id 
_pdbx_dcc_entity_geometry.auth_asym_id 
_pdbx_dcc_entity_geometry.angle_overall_rmsz 
_pdbx_dcc_entity_geometry.bond_overall_rmsz 
_pdbx_dcc_entity_geometry.number_angles 
_pdbx_dcc_entity_geometry.number_bonds 
A 1 1 A 0.60 0.48 1092 814  
E 1 1 E 0.63 0.53 1092 814  
B 1 2 B 0.65 0.50 837  626  
F 1 2 F 0.71 0.51 908  680  
C 1 3 C 0.58 0.47 1139 845  
G 1 3 G 0.57 0.46 1100 815  
D 1 4 D 0.64 0.51 990  736  
H 1 4 H 0.62 0.48 985  732  
I 1 5 I 1.07 0.90 5142 3333 
J 1 5 J 1.08 0.94 5141 3332 
# 
_pdbx_dcc_map_overall.entry_id                5B1L 
_pdbx_dcc_map_overall.RSRZ_outliers_percent   1.53 
# 
loop_
_pdbx_dcc_map.id 
_pdbx_dcc_map.PDB_model_num 
_pdbx_dcc_map.auth_asym_id 
_pdbx_dcc_map.auth_comp_id 
_pdbx_dcc_map.auth_seq_id 
_pdbx_dcc_map.Biso_mean 
_pdbx_dcc_map.RSCC 
_pdbx_dcc_map.RSR 
_pdbx_dcc_map.RSRZ 
_pdbx_dcc_map.occupancy_mean 
1    1 A PRO 38  70.930  0.877 0.243 1.915  1.000 
2    1 A HIS 39  58.520  0.891 0.114 -0.383 1.000 
3    1 A ARG 40  51.300  0.918 0.150 -0.181 1.000 
4    1 A TYR 41  43.520  0.971 0.135 0.039  1.000 
5    1 A HIS 42  44.440  0.944 0.113 -0.399 1.000 
6    1 A PRO 43  39.740  0.953 0.156 0.433  1.000 
7    1 A GLY 44  36.620  0.931 0.093 -0.580 1.000 
8    1 A THR 45  34.150  0.962 0.137 0.053  1.000 
9    1 A VAL 46  33.980  0.959 0.142 0.041  1.000 
10   1 A ALA 47  34.630  0.973 0.114 -0.294 1.000 
11   1 A LEU 48  37.670  0.959 0.153 0.131  1.000 
12   1 A ARG 49  41.670  0.956 0.119 -0.626 1.000 
13   1 A GLU 50  41.770  0.960 0.115 -0.729 1.000 
14   1 A ILE 51  34.380  0.971 0.118 -0.509 1.000 
15   1 A ARG 52  41.520  0.947 0.138 -0.353 1.000 
16   1 A ARG 53  42.800  0.924 0.189 0.379  1.000 
17   1 A TYR 54  32.840  0.972 0.149 0.312  1.000 
18   1 A GLN 55  33.800  0.977 0.157 -0.003 1.000 
19   1 A LYS 56  45.860  0.930 0.175 -0.027 1.000 
20   1 A SER 57  37.810  0.973 0.104 -0.509 1.000 
21   1 A THR 58  35.540  0.981 0.124 -0.176 1.000 
22   1 A GLU 59  38.000  0.927 0.147 -0.306 1.000 
23   1 A LEU 60  35.590  0.964 0.167 0.389  1.000 
24   1 A LEU 61  32.820  0.965 0.166 0.370  1.000 
25   1 A ILE 62  34.490  0.938 0.130 -0.285 1.000 
26   1 A ARG 63  49.140  0.873 0.176 0.193  1.000 
27   1 A LYS 64  46.920  0.941 0.191 0.187  1.000 
28   1 A LEU 65  46.140  0.951 0.136 -0.182 1.000 
29   1 A PRO 66  41.830  0.966 0.155 0.416  1.000 
30   1 A PHE 67  37.310  0.975 0.120 -0.308 1.000 
31   1 A GLN 68  50.890  0.946 0.117 -0.581 1.000 
32   1 A ARG 69  48.940  0.947 0.160 -0.037 1.000 
33   1 A LEU 70  42.150  0.969 0.131 -0.274 1.000 
34   1 A VAL 71  41.840  0.975 0.125 -0.278 1.000 
35   1 A ARG 72  49.340  0.970 0.114 -0.698 1.000 
36   1 A GLU 73  55.700  0.862 0.169 -0.015 1.000 
37   1 A ILE 74  47.590  0.974 0.123 -0.416 1.000 
38   1 A ALA 75  55.230  0.962 0.138 0.133  1.000 
39   1 A GLN 76  70.680  0.869 0.282 1.803  1.000 
40   1 A ASP 77  69.720  0.860 0.174 0.421  1.000 
41   1 A PHE 78  60.150  0.893 0.140 0.070  1.000 
42   1 A LYS 79  67.740  0.853 0.244 0.895  1.000 
43   1 A THR 80  78.560  0.830 0.286 2.671  1.000 
44   1 A ASP 81  77.680  0.850 0.243 1.451  1.000 
45   1 A LEU 82  55.360  0.975 0.171 0.462  1.000 
46   1 A ARG 83  63.680  0.861 0.202 0.566  1.000 
47   1 A PHE 84  41.620  0.974 0.161 0.466  1.000 
48   1 A GLN 85  43.030  0.959 0.165 0.113  1.000 
49   1 A SER 86  39.950  0.949 0.097 -0.625 1.000 
50   1 A SER 87  35.060  0.975 0.172 0.615  1.000 
51   1 A ALA 88  32.920  0.977 0.146 0.276  1.000 
52   1 A VAL 89  34.470  0.966 0.163 0.436  1.000 
53   1 A MET 90  37.170  0.938 0.143 0.139  1.000 
54   1 A ALA 91  29.950  0.964 0.144 0.240  1.000 
55   1 A LEU 92  29.640  0.967 0.161 0.278  1.000 
56   1 A GLN 93  32.480  0.969 0.138 -0.277 1.000 
57   1 A GLU 94  34.000  0.966 0.154 -0.213 1.000 
58   1 A ALA 95  27.750  0.993 0.152 0.383  1.000 
59   1 A CYS 96  33.050  0.950 0.129 0.223  1.000 
60   1 A GLU 97  31.610  0.982 0.163 -0.094 1.000 
61   1 A SER 98  31.500  0.952 0.164 0.483  1.000 
62   1 A TYR 99  30.890  0.962 0.111 -0.430 1.000 
63   1 A LEU 100 27.990  0.973 0.160 0.260  1.000 
64   1 A VAL 101 27.990  0.950 0.198 1.094  1.000 
65   1 A GLY 102 26.880  0.987 0.144 0.244  1.000 
66   1 A LEU 103 27.640  0.985 0.171 0.462  1.000 
67   1 A PHE 104 28.660  0.983 0.126 -0.194 1.000 
68   1 A GLU 105 34.970  0.951 0.163 -0.094 1.000 
69   1 A ASP 106 29.510  0.977 0.119 -0.400 1.000 
70   1 A THR 107 27.720  0.985 0.129 -0.088 1.000 
71   1 A ASN 108 28.850  0.965 0.109 -0.520 1.000 
72   1 A LEU 109 29.250  0.969 0.140 -0.109 1.000 
73   1 A CYS 110 27.190  0.976 0.090 -0.606 1.000 
74   1 A ALA 111 28.820  0.985 0.090 -0.721 1.000 
75   1 A ILE 112 28.630  0.972 0.144 -0.024 1.000 
76   1 A HIS 113 28.410  0.979 0.104 -0.547 1.000 
77   1 A ALA 114 30.530  0.981 0.095 -0.632 1.000 
78   1 A LYS 115 42.990  0.953 0.212 0.467  1.000 
79   1 A ARG 116 31.750  0.976 0.115 -0.684 1.000 
80   1 A VAL 117 34.120  0.965 0.193 1.000  1.000 
81   1 A THR 118 32.440  0.979 0.107 -0.475 1.000 
82   1 A ILE 119 28.440  0.978 0.115 -0.565 1.000 
83   1 A MET 120 33.960  0.962 0.127 -0.157 1.000 
84   1 A PRO 121 32.470  0.966 0.109 -0.368 1.000 
85   1 A LYS 122 38.250  0.957 0.175 -0.027 1.000 
86   1 A ASP 123 30.810  0.985 0.098 -0.713 1.000 
87   1 A ILE 124 31.120  0.940 0.156 0.200  1.000 
88   1 A GLN 125 39.900  0.921 0.132 -0.364 1.000 
89   1 A LEU 126 30.630  0.944 0.128 -0.330 1.000 
90   1 A ALA 127 31.160  0.980 0.110 -0.365 1.000 
91   1 A ARG 128 38.020  0.954 0.147 -0.224 1.000 
92   1 A ARG 129 45.520  0.891 0.182 0.279  1.000 
93   1 A ILE 130 30.320  0.965 0.144 -0.024 1.000 
94   1 A ARG 131 36.110  0.970 0.140 -0.325 1.000 
95   1 A GLY 132 43.970  0.947 0.131 0.034  1.000 
96   1 A GLU 133 48.080  0.934 0.086 -1.112 1.000 
97   1 A ARG 134 62.350  0.776 0.223 0.868  1.000 
98   1 A CL  301 47.030  0.968 0.124 ?      1.000 
99   1 A HOH 401 39.270  0.933 0.121 ?      1.000 
100  1 A HOH 402 28.870  0.954 0.169 ?      1.000 
101  1 A HOH 403 38.620  0.908 0.183 ?      1.000 
102  1 A HOH 404 31.540  0.968 0.157 ?      1.000 
103  1 A HOH 405 31.260  0.980 0.188 ?      1.000 
104  1 A HOH 406 35.350  0.954 0.164 ?      1.000 
105  1 A HOH 407 37.550  0.983 0.130 ?      1.000 
106  1 A HOH 408 41.020  0.890 0.180 ?      1.000 
107  1 A HOH 409 25.830  0.958 0.293 ?      1.000 
108  1 A HOH 410 35.870  0.949 0.107 ?      1.000 
109  1 A HOH 411 37.890  0.934 0.197 ?      1.000 
110  1 A HOH 412 39.330  0.830 0.256 ?      1.000 
111  1 A HOH 413 35.430  0.925 0.173 ?      1.000 
112  1 A HOH 414 33.920  0.966 0.161 ?      1.000 
113  1 A HOH 415 48.820  0.812 0.234 ?      1.000 
114  1 A HOH 416 37.880  0.953 0.184 ?      1.000 
115  1 A HOH 417 44.550  0.813 0.292 ?      1.000 
116  1 A HOH 418 41.450  0.832 0.282 ?      1.000 
117  1 A HOH 419 42.860  0.805 0.262 ?      1.000 
118  1 A HOH 420 45.850  0.651 0.376 ?      1.000 
119  1 B ASN 25  58.160  0.865 0.196 0.823  1.000 
120  1 B ILE 26  47.850  0.965 0.100 -0.845 1.000 
121  1 B GLN 27  50.470  0.931 0.163 0.084  1.000 
122  1 B GLY 28  47.680  0.952 0.108 -0.338 1.000 
123  1 B ILE 29  40.640  0.963 0.143 -0.043 1.000 
124  1 B THR 30  40.440  0.963 0.128 -0.105 1.000 
125  1 B LYS 31  39.320  0.960 0.188 0.147  1.000 
126  1 B PRO 32  36.080  0.968 0.127 -0.061 1.000 
127  1 B ALA 33  32.760  0.980 0.119 -0.205 1.000 
128  1 B ILE 34  32.490  0.963 0.155 0.181  1.000 
129  1 B ARG 35  40.800  0.872 0.236 1.055  1.000 
130  1 B ARG 36  31.540  0.979 0.112 -0.727 1.000 
131  1 B LEU 37  27.650  0.975 0.116 -0.551 1.000 
132  1 B ALA 38  28.200  0.985 0.118 -0.222 1.000 
133  1 B ARG 39  33.340  0.976 0.138 -0.353 1.000 
134  1 B ARG 40  31.550  0.974 0.134 -0.411 1.000 
135  1 B GLY 41  28.890  0.984 0.134 0.082  1.000 
136  1 B GLY 42  28.650  0.979 0.116 -0.208 1.000 
137  1 B VAL 43  29.700  0.970 0.119 -0.391 1.000 
138  1 B LYS 44  34.320  0.974 0.108 -0.921 1.000 
139  1 B ARG 45  34.690  0.965 0.131 -0.454 1.000 
140  1 B ILE 46  30.450  0.969 0.162 0.312  1.000 
141  1 B SER 47  33.410  0.937 0.106 -0.476 1.000 
142  1 B GLY 48  35.160  0.970 0.088 -0.661 1.000 
143  1 B LEU 49  36.940  0.969 0.148 0.039  1.000 
144  1 B ILE 50  30.620  0.964 0.106 -0.733 1.000 
145  1 B TYR 51  33.610  0.970 0.124 -0.176 1.000 
146  1 B GLU 52  43.090  0.929 0.192 0.290  1.000 
147  1 B GLU 53  40.960  0.965 0.111 -0.782 1.000 
148  1 B THR 54  31.690  0.966 0.116 -0.316 1.000 
149  1 B ARG 55  37.880  0.952 0.125 -0.540 1.000 
150  1 B GLY 56  34.450  0.975 0.110 -0.305 1.000 
151  1 B VAL 57  32.580  0.967 0.141 0.023  1.000 
152  1 B LEU 58  36.530  0.961 0.133 -0.238 1.000 
153  1 B LYS 59  44.970  0.961 0.159 -0.240 1.000 
154  1 B VAL 60  36.110  0.967 0.149 0.173  1.000 
155  1 B PHE 61  33.430  0.975 0.136 -0.006 1.000 
156  1 B LEU 62  35.550  0.961 0.140 -0.109 1.000 
157  1 B GLU 63  43.370  0.908 0.140 -0.398 1.000 
158  1 B ASN 64  40.060  0.936 0.133 -0.150 1.000 
159  1 B VAL 65  33.950  0.958 0.164 0.455  1.000 
160  1 B ILE 66  36.560  0.965 0.146 0.013  1.000 
161  1 B ARG 67  48.260  0.889 0.205 0.609  1.000 
162  1 B ASP 68  36.910  0.963 0.134 -0.176 1.000 
163  1 B ALA 69  33.260  0.974 0.139 0.151  1.000 
164  1 B VAL 70  38.690  0.948 0.152 0.229  1.000 
165  1 B THR 71  35.110  0.958 0.161 0.475  1.000 
166  1 B TYR 72  32.780  0.958 0.158 0.488  1.000 
167  1 B THR 73  36.220  0.978 0.144 0.176  1.000 
168  1 B GLU 74  45.100  0.958 0.128 -0.557 1.000 
169  1 B HIS 75  34.730  0.968 0.137 -0.005 1.000 
170  1 B ALA 76  38.290  0.947 0.106 -0.436 1.000 
171  1 B LYS 77  52.720  0.940 0.223 0.614  1.000 
172  1 B ARG 78  41.070  0.955 0.120 -0.612 1.000 
173  1 B LYS 79  59.790  0.940 0.208 0.414  1.000 
174  1 B THR 80  46.820  0.913 0.159 0.439  1.000 
175  1 B VAL 81  37.410  0.975 0.154 0.267  1.000 
176  1 B THR 82  35.400  0.972 0.139 0.088  1.000 
177  1 B ALA 83  32.220  0.982 0.200 1.237  1.000 
178  1 B MET 84  36.710  0.968 0.143 0.139  1.000 
179  1 B ASP 85  33.780  0.958 0.158 0.182  1.000 
180  1 B VAL 86  29.860  0.976 0.175 0.662  1.000 
181  1 B VAL 87  27.850  0.974 0.180 0.756  1.000 
182  1 B TYR 88  38.050  0.956 0.169 0.703  1.000 
183  1 B ALA 89  31.110  0.978 0.187 1.005  1.000 
184  1 B LEU 90  30.180  0.979 0.159 0.241  1.000 
185  1 B LYS 91  42.980  0.967 0.176 -0.013 1.000 
186  1 B ARG 92  47.820  0.805 0.232 0.997  1.000 
187  1 B GLN 93  42.720  0.882 0.177 0.286  1.000 
188  1 B GLY 94  36.570  0.982 0.189 0.971  1.000 
189  1 B ARG 95  38.340  0.911 0.169 0.092  1.000 
190  1 B THR 96  30.650  0.960 0.150 0.281  1.000 
191  1 B LEU 97  27.790  0.972 0.176 0.554  1.000 
192  1 B TYR 98  26.010  0.977 0.154 0.410  1.000 
193  1 B GLY 99  31.990  0.972 0.162 0.535  1.000 
194  1 B PHE 100 31.930  0.944 0.165 0.542  1.000 
195  1 B GLY 101 44.960  0.814 0.272 2.312  1.000 
196  1 B GLY 102 46.500  0.570 0.392 4.250  1.000 
197  1 B HOH 201 31.420  0.976 0.226 ?      1.000 
198  1 B HOH 202 35.420  0.860 0.478 ?      1.000 
199  1 B HOH 203 38.260  0.932 0.332 ?      1.000 
200  1 B HOH 204 42.890  0.976 0.230 ?      1.000 
201  1 B HOH 205 36.560  0.878 0.200 ?      1.000 
202  1 B HOH 206 36.920  0.955 0.185 ?      1.000 
203  1 B HOH 207 29.190  0.945 0.206 ?      1.000 
204  1 B HOH 208 33.260  0.972 0.187 ?      1.000 
205  1 B HOH 209 44.190  0.877 0.273 ?      1.000 
206  1 B HOH 210 38.830  0.852 0.264 ?      1.000 
207  1 B HOH 211 42.970  0.904 0.316 ?      1.000 
208  1 C ARG 11  72.760  0.807 0.410 3.555  1.000 
209  1 C ALA 12  66.830  0.796 0.285 2.749  1.000 
210  1 C LYS 13  66.810  0.885 0.325 1.976  1.000 
211  1 C ALA 14  59.050  0.955 0.150 0.347  1.000 
212  1 C LYS 15  59.820  0.903 0.231 0.721  1.000 
213  1 C THR 16  42.990  0.963 0.086 -0.844 1.000 
214  1 C ARG 17  40.360  0.930 0.147 -0.224 1.000 
215  1 C SER 18  35.750  0.953 0.097 -0.625 1.000 
216  1 C SER 19  40.850  0.966 0.095 -0.658 1.000 
217  1 C ARG 20  48.490  0.878 0.166 0.049  1.000 
218  1 C ALA 21  35.750  0.973 0.132 0.027  1.000 
219  1 C GLY 22  34.730  0.970 0.097 -0.515 1.000 
220  1 C LEU 23  33.150  0.955 0.144 -0.035 1.000 
221  1 C GLN 24  36.930  0.957 0.132 -0.364 1.000 
222  1 C PHE 25  33.210  0.975 0.115 -0.402 1.000 
223  1 C PRO 26  33.660  0.974 0.148 0.296  1.000 
224  1 C VAL 27  33.080  0.972 0.144 0.079  1.000 
225  1 C GLY 28  35.050  0.983 0.127 -0.031 1.000 
226  1 C ARG 29  33.730  0.970 0.149 -0.195 1.000 
227  1 C VAL 30  33.360  0.982 0.151 0.211  1.000 
228  1 C HIS 31  38.770  0.948 0.163 0.422  1.000 
229  1 C ARG 32  40.160  0.935 0.202 0.566  1.000 
230  1 C LEU 33  35.280  0.967 0.161 0.278  1.000 
231  1 C LEU 34  33.200  0.975 0.140 -0.109 1.000 
232  1 C ARG 35  50.200  0.900 0.188 0.365  1.000 
233  1 C LYS 36  54.460  0.889 0.220 0.574  1.000 
234  1 C GLY 37  39.450  0.968 0.204 1.213  1.000 
235  1 C ASN 38  46.370  0.885 0.224 1.255  1.000 
236  1 C TYR 39  34.930  0.967 0.141 0.156  1.000 
237  1 C SER 40  35.510  0.980 0.119 -0.261 1.000 
238  1 C GLU 41  50.830  0.873 0.210 0.528  1.000 
239  1 C ARG 42  39.120  0.955 0.152 -0.152 1.000 
240  1 C VAL 43  35.600  0.971 0.140 0.004  1.000 
241  1 C GLY 44  37.030  0.985 0.107 -0.354 1.000 
242  1 C ALA 45  36.160  0.983 0.102 -0.507 1.000 
243  1 C GLY 46  30.490  0.980 0.115 -0.225 1.000 
244  1 C ALA 47  31.130  0.983 0.108 -0.400 1.000 
245  1 C PRO 48  30.750  0.981 0.176 0.773  1.000 
246  1 C VAL 49  30.570  0.975 0.147 0.135  1.000 
247  1 C TYR 50  29.950  0.971 0.137 0.078  1.000 
248  1 C LEU 51  27.930  0.964 0.156 0.186  1.000 
249  1 C ALA 52  30.120  0.948 0.155 0.436  1.000 
250  1 C ALA 53  29.670  0.980 0.124 -0.116 1.000 
251  1 C VAL 54  27.750  0.945 0.195 1.038  1.000 
252  1 C LEU 55  26.650  0.971 0.185 0.720  1.000 
253  1 C GLU 56  31.970  0.975 0.137 -0.438 1.000 
254  1 C TYR 57  32.430  0.965 0.174 0.801  1.000 
255  1 C LEU 58  27.700  0.969 0.170 0.444  1.000 
256  1 C THR 59  29.160  0.969 0.124 -0.176 1.000 
257  1 C ALA 60  31.410  0.980 0.127 -0.062 1.000 
258  1 C GLU 61  40.520  0.951 0.159 -0.147 1.000 
259  1 C ILE 62  31.870  0.956 0.141 -0.080 1.000 
260  1 C LEU 63  31.000  0.970 0.154 0.149  1.000 
261  1 C GLU 64  37.090  0.943 0.164 -0.081 1.000 
262  1 C LEU 65  33.040  0.954 0.154 0.149  1.000 
263  1 C ALA 66  32.800  0.977 0.114 -0.294 1.000 
264  1 C GLY 67  35.930  0.970 0.114 -0.241 1.000 
265  1 C ASN 68  37.950  0.961 0.100 -0.659 1.000 
266  1 C ALA 69  39.470  0.960 0.105 -0.454 1.000 
267  1 C ALA 70  39.410  0.939 0.157 0.472  1.000 
268  1 C ARG 71  51.170  0.905 0.177 0.207  1.000 
269  1 C ASP 72  52.540  0.905 0.148 0.033  1.000 
270  1 C ASN 73  53.760  0.888 0.211 1.054  1.000 
271  1 C LYS 74  58.670  0.942 0.255 1.041  1.000 
272  1 C LYS 75  46.430  0.959 0.135 -0.561 1.000 
273  1 C THR 76  41.670  0.896 0.209 1.318  1.000 
274  1 C ARG 77  39.670  0.940 0.175 0.178  1.000 
275  1 C ILE 78  27.000  0.981 0.143 -0.043 1.000 
276  1 C ILE 79  26.900  0.975 0.151 0.106  1.000 
277  1 C PRO 80  27.660  0.955 0.154 0.399  1.000 
278  1 C ARG 81  27.750  0.986 0.142 -0.296 1.000 
279  1 C HIS 82  30.520  0.986 0.118 -0.317 1.000 
280  1 C LEU 83  27.570  0.982 0.161 0.278  1.000 
281  1 C GLN 84  29.920  0.975 0.167 0.142  1.000 
282  1 C LEU 85  29.940  0.980 0.150 0.076  1.000 
283  1 C ALA 86  32.470  0.983 0.136 0.098  1.000 
284  1 C ILE 87  30.720  0.980 0.134 -0.211 1.000 
285  1 C ARG 88  32.890  0.966 0.162 -0.009 1.000 
286  1 C ASN 89  36.130  0.970 0.095 -0.736 1.000 
287  1 C ASP 90  40.730  0.951 0.119 -0.400 1.000 
288  1 C GLU 91  56.150  0.846 0.192 0.290  1.000 
289  1 C GLU 92  40.690  0.923 0.129 -0.544 1.000 
290  1 C LEU 93  32.150  0.979 0.162 0.297  1.000 
291  1 C ASN 94  37.030  0.974 0.141 -0.026 1.000 
292  1 C LYS 95  45.040  0.969 0.135 -0.561 1.000 
293  1 C LEU 96  30.680  0.984 0.161 0.278  1.000 
294  1 C LEU 97  28.880  0.978 0.197 0.941  1.000 
295  1 C GLY 98  36.140  0.946 0.157 0.454  1.000 
296  1 C ARG 99  51.420  0.901 0.210 0.681  1.000 
297  1 C VAL 100 28.830  0.978 0.215 1.414  1.000 
298  1 C THR 101 27.650  0.980 0.175 0.721  1.000 
299  1 C ILE 102 27.610  0.977 0.206 1.132  1.000 
300  1 C ALA 103 26.820  0.986 0.219 1.575  1.000 
301  1 C GLN 104 36.090  0.920 0.188 0.445  1.000 
302  1 C GLY 105 27.150  0.976 0.170 0.664  1.000 
303  1 C GLY 106 27.930  0.989 0.150 0.341  1.000 
304  1 C VAL 107 28.190  0.982 0.125 -0.278 1.000 
305  1 C LEU 108 34.370  0.979 0.123 -0.422 1.000 
306  1 C PRO 109 35.860  0.961 0.142 0.194  1.000 
307  1 C ASN 110 43.760  0.951 0.132 -0.165 1.000 
308  1 C ILE 111 35.520  0.981 0.140 -0.099 1.000 
309  1 C GLN 112 38.610  0.957 0.108 -0.711 1.000 
310  1 C ALA 113 39.360  0.958 0.089 -0.738 1.000 
311  1 C VAL 114 40.010  0.969 0.124 -0.297 1.000 
312  1 C LEU 115 33.760  0.958 0.131 -0.274 1.000 
313  1 C LEU 116 41.920  0.951 0.138 -0.145 1.000 
314  1 C PRO 117 47.090  0.939 0.103 -0.470 1.000 
315  1 C LYS 118 70.250  0.670 0.577 5.340  1.000 
316  1 C CL  301 36.250  0.995 0.125 ?      1.000 
317  1 C HOH 401 38.630  0.961 0.143 ?      1.000 
318  1 C HOH 402 40.680  0.731 0.246 ?      1.000 
319  1 C HOH 403 42.050  0.795 0.172 ?      1.000 
320  1 C HOH 404 35.810  0.780 0.245 ?      1.000 
321  1 C HOH 405 37.690  0.833 0.197 ?      1.000 
322  1 C HOH 406 36.580  0.924 0.195 ?      1.000 
323  1 C HOH 407 41.890  0.852 0.135 ?      1.000 
324  1 C HOH 408 35.110  0.892 0.250 ?      1.000 
325  1 C HOH 409 35.440  0.990 0.165 ?      1.000 
326  1 C HOH 410 36.600  0.838 0.233 ?      1.000 
327  1 C HOH 411 37.250  0.960 0.151 ?      1.000 
328  1 C HOH 412 37.250  0.808 0.299 ?      1.000 
329  1 C HOH 413 40.230  0.849 0.230 ?      1.000 
330  1 C HOH 414 29.830  0.920 0.182 ?      1.000 
331  1 C HOH 415 45.940  0.821 0.233 ?      1.000 
332  1 C HOH 416 23.710  0.980 0.248 ?      1.000 
333  1 C HOH 417 40.720  0.894 0.175 ?      1.000 
334  1 C HOH 418 39.990  0.905 0.205 ?      1.000 
335  1 C HOH 419 36.640  0.931 0.210 ?      1.000 
336  1 C HOH 420 37.220  0.924 0.218 ?      1.000 
337  1 C HOH 421 45.570  0.881 0.218 ?      1.000 
338  1 C HOH 422 28.680  0.925 0.239 ?      1.000 
339  1 D GLY 32  62.340  0.941 0.102 -0.435 1.000 
340  1 D ARG 33  54.340  0.906 0.146 -0.239 1.000 
341  1 D LYS 34  55.900  0.950 0.213 0.481  1.000 
342  1 D GLU 35  40.210  0.927 0.169 -0.015 1.000 
343  1 D SER 36  30.780  0.966 0.138 0.053  1.000 
344  1 D TYR 37  32.000  0.957 0.139 0.117  1.000 
345  1 D SER 38  29.410  0.979 0.112 -0.377 1.000 
346  1 D ILE 39  33.340  0.980 0.158 0.237  1.000 
347  1 D TYR 40  31.540  0.964 0.131 -0.039 1.000 
348  1 D VAL 41  28.030  0.982 0.143 0.060  1.000 
349  1 D TYR 42  33.250  0.972 0.126 -0.137 1.000 
350  1 D LYS 43  35.660  0.971 0.142 -0.467 1.000 
351  1 D VAL 44  28.150  0.950 0.186 0.868  1.000 
352  1 D LEU 45  30.030  0.979 0.130 -0.293 1.000 
353  1 D LYS 46  34.960  0.965 0.145 -0.427 1.000 
354  1 D GLN 47  35.350  0.952 0.129 -0.408 1.000 
355  1 D VAL 48  32.840  0.948 0.141 0.023  1.000 
356  1 D HIS 49  34.510  0.977 0.129 -0.136 1.000 
357  1 D PRO 50  34.210  0.962 0.142 0.194  1.000 
358  1 D ASP 51  43.460  0.943 0.104 -0.624 1.000 
359  1 D THR 52  35.830  0.974 0.116 -0.316 1.000 
360  1 D GLY 53  31.740  0.979 0.108 -0.338 1.000 
361  1 D ILE 54  27.760  0.974 0.173 0.517  1.000 
362  1 D SER 55  29.890  0.973 0.135 0.003  1.000 
363  1 D SER 56  32.790  0.976 0.142 0.119  1.000 
364  1 D LYS 57  40.240  0.958 0.182 0.067  1.000 
365  1 D ALA 58  27.920  0.967 0.160 0.525  1.000 
366  1 D MET 59  28.320  0.981 0.111 -0.453 1.000 
367  1 D GLY 60  28.080  0.977 0.153 0.389  1.000 
368  1 D ILE 61  28.840  0.968 0.198 0.983  1.000 
369  1 D MET 62  27.030  0.989 0.160 0.453  1.000 
370  1 D ASN 63  29.620  0.974 0.166 0.360  1.000 
371  1 D SER 64  27.610  0.982 0.172 0.615  1.000 
372  1 D PHE 65  28.520  0.973 0.152 0.296  1.000 
373  1 D VAL 66  25.130  0.988 0.189 0.925  1.000 
374  1 D ASN 67  27.690  0.972 0.188 0.699  1.000 
375  1 D ASP 68  27.840  0.972 0.181 0.525  1.000 
376  1 D ILE 69  27.120  0.984 0.171 0.479  1.000 
377  1 D PHE 70  30.210  0.972 0.191 1.032  1.000 
378  1 D GLU 71  38.500  0.908 0.267 1.282  1.000 
379  1 D ARG 72  27.660  0.965 0.203 0.580  1.000 
380  1 D ILE 73  26.940  0.986 0.188 0.797  1.000 
381  1 D ALA 74  28.960  0.983 0.211 1.432  1.000 
382  1 D SER 75  30.800  0.970 0.208 1.210  1.000 
383  1 D GLU 76  34.660  0.975 0.211 0.541  1.000 
384  1 D ALA 77  30.450  0.983 0.165 0.614  1.000 
385  1 D SER 78  29.870  0.969 0.193 0.962  1.000 
386  1 D ARG 79  35.190  0.937 0.199 0.523  1.000 
387  1 D LEU 80  32.830  0.978 0.165 0.352  1.000 
388  1 D ALA 81  34.490  0.981 0.162 0.560  1.000 
389  1 D HIS 82  44.790  0.942 0.148 0.176  1.000 
390  1 D TYR 83  46.670  0.906 0.166 0.645  1.000 
391  1 D ASN 84  41.930  0.931 0.135 -0.119 1.000 
392  1 D LYS 85  47.640  0.960 0.105 -0.961 1.000 
393  1 D ARG 86  55.290  0.941 0.156 -0.095 1.000 
394  1 D SER 87  41.600  0.974 0.156 0.350  1.000 
395  1 D THR 88  34.600  0.972 0.115 -0.334 1.000 
396  1 D ILE 89  32.070  0.980 0.174 0.535  1.000 
397  1 D THR 90  32.120  0.976 0.117 -0.299 1.000 
398  1 D SER 91  33.870  0.969 0.117 -0.294 1.000 
399  1 D ARG 92  40.410  0.913 0.172 0.135  1.000 
400  1 D GLU 93  32.800  0.963 0.161 -0.120 1.000 
401  1 D VAL 94  29.670  0.978 0.151 0.211  1.000 
402  1 D GLN 95  31.790  0.981 0.120 -0.538 1.000 
403  1 D THR 96  27.450  0.988 0.132 -0.035 1.000 
404  1 D ALA 97  29.240  0.983 0.129 -0.027 1.000 
405  1 D VAL 98  31.880  0.978 0.115 -0.466 1.000 
406  1 D ARG 99  37.220  0.950 0.131 -0.454 1.000 
407  1 D LEU 100 30.050  0.977 0.177 0.573  1.000 
408  1 D LEU 101 34.900  0.957 0.168 0.407  1.000 
409  1 D LEU 102 36.430  0.937 0.174 0.517  1.000 
410  1 D PRO 103 39.460  0.978 0.091 -0.675 1.000 
411  1 D GLY 104 40.380  0.946 0.110 -0.305 1.000 
412  1 D GLU 105 49.000  0.847 0.272 1.348  1.000 
413  1 D LEU 106 36.710  0.979 0.175 0.536  1.000 
414  1 D ALA 107 35.140  0.968 0.148 0.311  1.000 
415  1 D LYS 108 47.180  0.955 0.196 0.254  1.000 
416  1 D HIS 109 39.780  0.981 0.142 0.077  1.000 
417  1 D ALA 110 34.370  0.984 0.129 -0.027 1.000 
418  1 D VAL 111 34.550  0.969 0.121 -0.353 1.000 
419  1 D SER 112 36.380  0.979 0.128 -0.112 1.000 
420  1 D GLU 113 40.570  0.956 0.135 -0.464 1.000 
421  1 D GLY 114 34.740  0.987 0.112 -0.273 1.000 
422  1 D THR 115 35.570  0.965 0.156 0.387  1.000 
423  1 D LYS 116 44.180  0.948 0.159 -0.240 1.000 
424  1 D ALA 117 33.290  0.975 0.147 0.294  1.000 
425  1 D VAL 118 34.070  0.956 0.132 -0.147 1.000 
426  1 D THR 119 40.860  0.952 0.136 0.035  1.000 
427  1 D LYS 120 45.210  0.934 0.207 0.401  1.000 
428  1 D TYR 121 40.380  0.963 0.115 -0.352 1.000 
429  1 D THR 122 46.520  0.911 0.137 0.053  1.000 
430  1 D SER 123 53.940  0.913 0.102 -0.542 1.000 
431  1 D SER 124 59.580  0.866 0.161 0.433  1.000 
432  1 D MN  301 35.980  0.995 0.153 ?      1.000 
433  1 D HOH 401 44.450  0.839 0.192 ?      1.000 
434  1 D HOH 402 33.690  0.988 0.178 ?      1.000 
435  1 D HOH 403 37.990  0.741 0.138 ?      1.000 
436  1 D HOH 404 31.780  0.886 0.231 ?      1.000 
437  1 D HOH 405 39.320  0.950 0.179 ?      1.000 
438  1 D HOH 406 36.430  0.955 0.155 ?      1.000 
439  1 D HOH 407 33.810  0.859 0.296 ?      1.000 
440  1 D HOH 408 32.800  0.919 0.252 ?      1.000 
441  1 D HOH 409 29.730  0.994 0.148 ?      1.000 
442  1 D HOH 410 33.930  0.873 0.221 ?      1.000 
443  1 D HOH 411 38.530  0.896 0.202 ?      1.000 
444  1 D HOH 412 38.540  0.946 0.139 ?      1.000 
445  1 D HOH 413 27.590  0.881 0.156 ?      1.000 
446  1 D HOH 414 40.510  0.886 0.330 ?      1.000 
447  1 D HOH 415 27.970  0.988 0.377 ?      1.000 
448  1 D HOH 416 40.530  0.738 0.325 ?      1.000 
449  1 E PRO 38  45.430  0.878 0.117 -0.232 1.000 
450  1 E HIS 39  48.560  0.957 0.133 -0.071 1.000 
451  1 E ARG 40  43.350  0.954 0.155 -0.109 1.000 
452  1 E TYR 41  36.850  0.980 0.115 -0.352 1.000 
453  1 E HIS 42  42.440  0.936 0.107 -0.498 1.000 
454  1 E PRO 43  33.900  0.961 0.106 -0.419 1.000 
455  1 E GLY 44  31.750  0.990 0.107 -0.354 1.000 
456  1 E THR 45  28.780  0.977 0.114 -0.351 1.000 
457  1 E VAL 46  30.420  0.979 0.130 -0.184 1.000 
458  1 E ALA 47  29.010  0.967 0.113 -0.311 1.000 
459  1 E LEU 48  33.700  0.967 0.161 0.278  1.000 
460  1 E ARG 49  40.120  0.948 0.179 0.236  1.000 
461  1 E GLU 50  32.020  0.962 0.113 -0.755 1.000 
462  1 E ILE 51  27.980  0.970 0.129 -0.304 1.000 
463  1 E ARG 52  40.270  0.965 0.138 -0.353 1.000 
464  1 E ARG 53  35.870  0.951 0.137 -0.368 1.000 
465  1 E TYR 54  28.230  0.970 0.144 0.215  1.000 
466  1 E GLN 55  29.770  0.971 0.144 -0.191 1.000 
467  1 E LYS 56  44.350  0.934 0.246 0.921  1.000 
468  1 E SER 57  30.380  0.970 0.142 0.119  1.000 
469  1 E THR 58  29.750  0.976 0.174 0.703  1.000 
470  1 E GLU 59  35.240  0.955 0.128 -0.557 1.000 
471  1 E LEU 60  31.190  0.978 0.174 0.517  1.000 
472  1 E LEU 61  26.750  0.977 0.152 0.112  1.000 
473  1 E ILE 62  24.870  0.978 0.182 0.685  1.000 
474  1 E ARG 63  33.340  0.932 0.150 -0.181 1.000 
475  1 E LYS 64  36.390  0.946 0.182 0.067  1.000 
476  1 E LEU 65  29.300  0.964 0.159 0.241  1.000 
477  1 E PRO 66  28.390  0.953 0.147 0.279  1.000 
478  1 E PHE 67  25.890  0.961 0.155 0.353  1.000 
479  1 E GLN 68  35.550  0.946 0.171 0.199  1.000 
480  1 E ARG 69  30.520  0.957 0.155 -0.109 1.000 
481  1 E LEU 70  25.320  0.976 0.129 -0.311 1.000 
482  1 E VAL 71  23.520  0.978 0.165 0.474  1.000 
483  1 E ARG 72  36.020  0.955 0.161 -0.023 1.000 
484  1 E GLU 73  30.200  0.962 0.121 -0.649 1.000 
485  1 E ILE 74  27.580  0.968 0.136 -0.174 1.000 
486  1 E ALA 75  30.550  0.969 0.108 -0.400 1.000 
487  1 E GLN 76  40.770  0.898 0.171 0.199  1.000 
488  1 E ASP 77  34.780  0.975 0.103 -0.639 1.000 
489  1 E PHE 78  32.770  0.980 0.115 -0.402 1.000 
490  1 E LYS 79  42.120  0.939 0.180 0.040  1.000 
491  1 E THR 80  43.580  0.952 0.171 0.650  1.000 
492  1 E ASP 81  49.280  0.912 0.171 0.376  1.000 
493  1 E LEU 82  39.470  0.962 0.123 -0.422 1.000 
494  1 E ARG 83  46.420  0.919 0.189 0.379  1.000 
495  1 E PHE 84  32.320  0.973 0.134 -0.043 1.000 
496  1 E GLN 85  36.590  0.949 0.166 0.127  1.000 
497  1 E SER 86  35.290  0.945 0.130 -0.079 1.000 
498  1 E SER 87  30.660  0.982 0.163 0.466  1.000 
499  1 E ALA 88  27.460  0.977 0.168 0.667  1.000 
500  1 E VAL 89  28.150  0.982 0.146 0.117  1.000 
501  1 E MET 90  31.310  0.973 0.153 0.323  1.000 
502  1 E ALA 91  25.170  0.979 0.187 1.005  1.000 
503  1 E LEU 92  25.310  0.979 0.170 0.444  1.000 
504  1 E GLN 93  25.250  0.975 0.172 0.214  1.000 
505  1 E GLU 94  27.150  0.966 0.166 -0.054 1.000 
506  1 E ALA 95  21.290  0.969 0.128 -0.044 1.000 
507  1 E CYS 96  25.860  0.963 0.126 0.160  1.000 
508  1 E GLU 97  26.990  0.968 0.166 -0.054 1.000 
509  1 E SER 98  26.010  0.979 0.154 0.317  1.000 
510  1 E TYR 99  27.200  0.970 0.166 0.645  1.000 
511  1 E LEU 100 22.300  0.974 0.172 0.481  1.000 
512  1 E VAL 101 24.390  0.983 0.179 0.737  1.000 
513  1 E GLY 102 24.090  0.992 0.190 0.987  1.000 
514  1 E LEU 103 26.090  0.964 0.161 0.278  1.000 
515  1 E PHE 104 23.480  0.980 0.144 0.145  1.000 
516  1 E GLU 105 32.010  0.949 0.142 -0.372 1.000 
517  1 E ASP 106 27.200  0.978 0.119 -0.400 1.000 
518  1 E THR 107 26.390  0.977 0.141 0.123  1.000 
519  1 E ASN 108 25.720  0.976 0.155 0.190  1.000 
520  1 E LEU 109 28.480  0.981 0.125 -0.385 1.000 
521  1 E CYS 110 26.720  0.985 0.084 -0.734 1.000 
522  1 E ALA 111 27.810  0.983 0.118 -0.222 1.000 
523  1 E ILE 112 29.580  0.961 0.130 -0.285 1.000 
524  1 E HIS 113 30.720  0.970 0.106 -0.514 1.000 
525  1 E ALA 114 29.800  0.966 0.099 -0.560 1.000 
526  1 E LYS 115 38.920  0.943 0.203 0.347  1.000 
527  1 E ARG 116 32.060  0.968 0.115 -0.684 1.000 
528  1 E VAL 117 31.180  0.950 0.151 0.211  1.000 
529  1 E THR 118 28.730  0.982 0.123 -0.193 1.000 
530  1 E ILE 119 24.910  0.963 0.134 -0.211 1.000 
531  1 E MET 120 30.420  0.974 0.120 -0.287 1.000 
532  1 E PRO 121 31.490  0.976 0.131 0.007  1.000 
533  1 E LYS 122 37.480  0.917 0.182 0.067  1.000 
534  1 E ASP 123 29.300  0.977 0.106 -0.594 1.000 
535  1 E ILE 124 29.870  0.957 0.165 0.368  1.000 
536  1 E GLN 125 34.710  0.962 0.115 -0.610 1.000 
537  1 E LEU 126 27.630  0.966 0.135 -0.201 1.000 
538  1 E ALA 127 28.560  0.974 0.124 -0.116 1.000 
539  1 E ARG 128 34.870  0.970 0.137 -0.368 1.000 
540  1 E ARG 129 41.470  0.901 0.149 -0.195 1.000 
541  1 E ILE 130 30.140  0.966 0.112 -0.621 1.000 
542  1 E ARG 131 33.780  0.957 0.144 -0.267 1.000 
543  1 E GLY 132 39.070  0.944 0.163 0.551  1.000 
544  1 E GLU 133 43.160  0.939 0.132 -0.504 1.000 
545  1 E ARG 134 65.780  0.789 0.241 1.126  1.000 
546  1 E CL  301 50.390  0.988 0.067 ?      1.000 
547  1 E HOH 401 33.540  0.957 0.115 ?      1.000 
548  1 E HOH 402 46.300  0.647 0.186 ?      1.000 
549  1 E HOH 403 43.330  0.920 0.197 ?      1.000 
550  1 E HOH 404 28.750  0.926 0.148 ?      1.000 
551  1 E HOH 405 32.790  0.913 0.260 ?      1.000 
552  1 E HOH 406 35.850  0.876 0.183 ?      1.000 
553  1 E HOH 407 28.550  0.974 0.138 ?      1.000 
554  1 E HOH 408 23.560  0.932 0.157 ?      1.000 
555  1 E HOH 409 35.110  0.885 0.281 ?      1.000 
556  1 E HOH 410 29.350  0.950 0.177 ?      1.000 
557  1 E HOH 411 31.680  0.971 0.196 ?      1.000 
558  1 E HOH 412 33.010  0.989 0.129 ?      1.000 
559  1 E HOH 413 43.780  0.960 0.171 ?      1.000 
560  1 E HOH 414 28.020  0.969 0.150 ?      1.000 
561  1 E HOH 415 43.740  0.938 0.155 ?      1.000 
562  1 E HOH 416 32.560  0.915 0.161 ?      1.000 
563  1 E HOH 417 28.860  0.984 0.090 ?      1.000 
564  1 E HOH 418 30.530  0.934 0.174 ?      1.000 
565  1 E HOH 419 29.660  0.882 0.204 ?      1.000 
566  1 E HOH 420 40.190  0.560 0.420 ?      1.000 
567  1 E HOH 421 43.840  0.749 0.210 ?      1.000 
568  1 E HOH 422 37.500  0.905 0.166 ?      1.000 
569  1 E HOH 423 38.170  0.791 0.187 ?      1.000 
570  1 E HOH 424 41.660  0.822 0.263 ?      1.000 
571  1 E HOH 425 40.150  0.922 0.202 ?      1.000 
572  1 E HOH 426 30.450  0.916 0.202 ?      1.000 
573  1 E HOH 427 37.880  0.840 0.356 ?      1.000 
574  1 E HOH 428 29.870  0.940 0.128 ?      1.000 
575  1 E HOH 429 38.460  0.967 0.108 ?      1.000 
576  1 E HOH 430 35.960  0.744 0.275 ?      1.000 
577  1 F ARG 19  68.020  0.672 0.234 1.026  1.000 
578  1 F LYS 20  55.450  0.879 0.256 1.055  1.000 
579  1 F VAL 21  42.870  0.972 0.145 0.098  1.000 
580  1 F LEU 22  35.480  0.985 0.154 0.149  1.000 
581  1 F ARG 23  39.080  0.916 0.146 -0.239 1.000 
582  1 F ASP 24  40.820  0.933 0.126 -0.296 1.000 
583  1 F ASN 25  31.990  0.962 0.137 -0.088 1.000 
584  1 F ILE 26  29.360  0.987 0.134 -0.211 1.000 
585  1 F GLN 27  38.740  0.943 0.129 -0.408 1.000 
586  1 F GLY 28  35.880  0.950 0.128 -0.015 1.000 
587  1 F ILE 29  30.770  0.966 0.154 0.162  1.000 
588  1 F THR 30  28.550  0.969 0.165 0.545  1.000 
589  1 F LYS 31  32.510  0.952 0.213 0.481  1.000 
590  1 F PRO 32  27.340  0.975 0.149 0.313  1.000 
591  1 F ALA 33  25.770  0.987 0.179 0.863  1.000 
592  1 F ILE 34  23.760  0.954 0.182 0.685  1.000 
593  1 F ARG 35  33.180  0.937 0.166 0.049  1.000 
594  1 F ARG 36  25.590  0.971 0.170 0.106  1.000 
595  1 F LEU 37  24.360  0.982 0.164 0.333  1.000 
596  1 F ALA 38  21.500  0.979 0.181 0.899  1.000 
597  1 F ARG 39  25.420  0.981 0.149 -0.195 1.000 
598  1 F ARG 40  25.860  0.978 0.178 0.221  1.000 
599  1 F GLY 41  26.400  0.976 0.148 0.309  1.000 
600  1 F GLY 42  25.770  0.975 0.135 0.099  1.000 
601  1 F VAL 43  24.380  0.969 0.141 0.023  1.000 
602  1 F LYS 44  28.640  0.976 0.100 -1.028 1.000 
603  1 F ARG 45  29.640  0.982 0.117 -0.655 1.000 
604  1 F ILE 46  26.180  0.975 0.128 -0.323 1.000 
605  1 F SER 47  29.590  0.969 0.126 -0.145 1.000 
606  1 F GLY 48  28.280  0.965 0.110 -0.305 1.000 
607  1 F LEU 49  32.390  0.973 0.113 -0.606 1.000 
608  1 F ILE 50  26.420  0.963 0.138 -0.136 1.000 
609  1 F TYR 51  26.340  0.976 0.138 0.098  1.000 
610  1 F GLU 52  35.000  0.952 0.131 -0.517 1.000 
611  1 F GLU 53  38.620  0.943 0.133 -0.491 1.000 
612  1 F THR 54  24.180  0.968 0.136 0.035  1.000 
613  1 F ARG 55  27.870  0.960 0.138 -0.353 1.000 
614  1 F GLY 56  26.510  0.954 0.113 -0.257 1.000 
615  1 F VAL 57  26.510  0.955 0.147 0.135  1.000 
616  1 F LEU 58  25.880  0.973 0.169 0.425  1.000 
617  1 F LYS 59  34.740  0.941 0.154 -0.307 1.000 
618  1 F VAL 60  29.490  0.967 0.185 0.850  1.000 
619  1 F PHE 61  28.730  0.960 0.156 0.372  1.000 
620  1 F LEU 62  29.010  0.969 0.178 0.591  1.000 
621  1 F GLU 63  36.110  0.946 0.130 -0.530 1.000 
622  1 F ASN 64  29.530  0.969 0.179 0.560  1.000 
623  1 F VAL 65  26.080  0.982 0.199 1.113  1.000 
624  1 F ILE 66  23.810  0.970 0.177 0.591  1.000 
625  1 F ARG 67  33.270  0.941 0.158 -0.066 1.000 
626  1 F ASP 68  30.920  0.958 0.166 0.301  1.000 
627  1 F ALA 69  25.880  0.976 0.196 1.165  1.000 
628  1 F VAL 70  28.800  0.982 0.119 -0.391 1.000 
629  1 F THR 71  27.780  0.977 0.201 1.178  1.000 
630  1 F TYR 72  30.010  0.974 0.166 0.645  1.000 
631  1 F THR 73  30.250  0.967 0.180 0.808  1.000 
632  1 F GLU 74  37.210  0.954 0.122 -0.636 1.000 
633  1 F HIS 75  34.210  0.963 0.146 0.143  1.000 
634  1 F ALA 76  33.360  0.982 0.161 0.543  1.000 
635  1 F LYS 77  49.410  0.915 0.226 0.654  1.000 
636  1 F ARG 78  36.370  0.963 0.134 -0.411 1.000 
637  1 F LYS 79  51.300  0.952 0.151 -0.347 1.000 
638  1 F THR 80  36.690  0.969 0.135 0.018  1.000 
639  1 F VAL 81  29.660  0.985 0.169 0.549  1.000 
640  1 F THR 82  29.950  0.972 0.143 0.158  1.000 
641  1 F ALA 83  28.500  0.985 0.174 0.774  1.000 
642  1 F MET 84  35.270  0.955 0.162 0.490  1.000 
643  1 F ASP 85  29.810  0.949 0.135 -0.161 1.000 
644  1 F VAL 86  25.090  0.974 0.191 0.962  1.000 
645  1 F VAL 87  27.510  0.970 0.256 2.184  1.000 
646  1 F TYR 88  37.440  0.911 0.214 1.582  1.000 
647  1 F ALA 89  29.940  0.981 0.166 0.632  1.000 
648  1 F LEU 90  27.760  0.974 0.201 1.015  1.000 
649  1 F LYS 91  43.220  0.950 0.201 0.320  1.000 
650  1 F ARG 92  49.390  0.869 0.226 0.911  1.000 
651  1 F GLN 93  40.260  0.889 0.209 0.749  1.000 
652  1 F GLY 94  36.740  0.976 0.179 0.809  1.000 
653  1 F ARG 95  36.130  0.904 0.181 0.264  1.000 
654  1 F THR 96  29.860  0.977 0.226 1.617  1.000 
655  1 F LEU 97  25.750  0.987 0.217 1.309  1.000 
656  1 F TYR 98  26.600  0.967 0.180 0.918  1.000 
657  1 F GLY 99  27.570  0.983 0.176 0.761  1.000 
658  1 F PHE 100 30.200  0.965 0.138 0.032  1.000 
659  1 F GLY 101 44.010  0.944 0.126 -0.047 1.000 
660  1 F GLY 102 59.670  0.889 0.150 0.341  1.000 
661  1 F HOH 201 30.960  0.968 0.243 ?      1.000 
662  1 F HOH 202 38.000  0.786 0.164 ?      1.000 
663  1 F HOH 203 34.080  0.716 0.322 ?      1.000 
664  1 F HOH 204 33.490  0.881 0.181 ?      1.000 
665  1 F HOH 205 25.880  0.975 0.204 ?      1.000 
666  1 F HOH 206 34.170  0.908 0.505 ?      1.000 
667  1 F HOH 207 32.440  0.973 0.129 ?      1.000 
668  1 F HOH 208 32.550  0.924 0.136 ?      1.000 
669  1 F HOH 209 34.680  0.920 0.147 ?      1.000 
670  1 F HOH 210 39.770  0.959 0.319 ?      1.000 
671  1 F HOH 211 26.990  0.964 0.117 ?      1.000 
672  1 F HOH 212 39.220  0.873 0.240 ?      1.000 
673  1 F HOH 213 32.120  0.950 0.155 ?      1.000 
674  1 F HOH 214 32.490  0.986 0.116 ?      1.000 
675  1 F HOH 215 34.390  0.942 0.177 ?      1.000 
676  1 F HOH 216 38.020  0.925 0.165 ?      1.000 
677  1 F HOH 217 34.090  0.942 0.239 ?      1.000 
678  1 F HOH 218 42.590  0.916 0.170 ?      1.000 
679  1 F HOH 219 27.470  0.933 0.216 ?      1.000 
680  1 F HOH 220 40.350  0.896 0.201 ?      1.000 
681  1 F HOH 221 44.910  0.915 0.118 ?      1.000 
682  1 G LYS 15  62.420  0.776 0.291 1.522  1.000 
683  1 G THR 16  48.380  0.928 0.094 -0.703 1.000 
684  1 G ARG 17  45.770  0.904 0.152 -0.152 1.000 
685  1 G SER 18  45.270  0.942 0.091 -0.724 1.000 
686  1 G SER 19  49.200  0.966 0.134 -0.013 1.000 
687  1 G ARG 20  59.790  0.906 0.228 0.940  1.000 
688  1 G ALA 21  47.820  0.967 0.156 0.454  1.000 
689  1 G GLY 22  47.460  0.953 0.124 -0.079 1.000 
690  1 G LEU 23  39.590  0.973 0.141 -0.090 1.000 
691  1 G GLN 24  43.320  0.955 0.129 -0.408 1.000 
692  1 G PHE 25  34.830  0.968 0.099 -0.704 1.000 
693  1 G PRO 26  35.080  0.977 0.123 -0.129 1.000 
694  1 G VAL 27  33.010  0.983 0.138 -0.034 1.000 
695  1 G GLY 28  32.740  0.981 0.124 -0.079 1.000 
696  1 G ARG 29  36.180  0.983 0.111 -0.741 1.000 
697  1 G VAL 30  29.270  0.986 0.132 -0.147 1.000 
698  1 G HIS 31  37.720  0.962 0.117 -0.333 1.000 
699  1 G ARG 32  38.750  0.968 0.130 -0.468 1.000 
700  1 G LEU 33  32.410  0.981 0.143 -0.053 1.000 
701  1 G LEU 34  30.310  0.965 0.149 0.057  1.000 
702  1 G ARG 35  51.510  0.796 0.299 1.960  1.000 
703  1 G LYS 36  46.380  0.908 0.232 0.734  1.000 
704  1 G GLY 37  38.520  0.941 0.173 0.712  1.000 
705  1 G ASN 38  42.560  0.861 0.149 0.097  1.000 
706  1 G TYR 39  34.540  0.953 0.154 0.410  1.000 
707  1 G SER 40  38.060  0.970 0.104 -0.509 1.000 
708  1 G GLU 41  49.650  0.921 0.217 0.620  1.000 
709  1 G ARG 42  38.800  0.920 0.174 0.164  1.000 
710  1 G VAL 43  32.530  0.985 0.136 -0.071 1.000 
711  1 G GLY 44  33.690  0.962 0.114 -0.241 1.000 
712  1 G ALA 45  34.410  0.956 0.093 -0.667 1.000 
713  1 G GLY 46  33.200  0.985 0.094 -0.564 1.000 
714  1 G ALA 47  31.110  0.977 0.131 0.009  1.000 
715  1 G PRO 48  29.830  0.982 0.113 -0.300 1.000 
716  1 G VAL 49  32.080  0.985 0.147 0.135  1.000 
717  1 G TYR 50  34.890  0.972 0.125 -0.156 1.000 
718  1 G LEU 51  29.270  0.981 0.121 -0.459 1.000 
719  1 G ALA 52  31.260  0.969 0.090 -0.721 1.000 
720  1 G ALA 53  32.820  0.968 0.120 -0.187 1.000 
721  1 G VAL 54  30.970  0.979 0.137 -0.053 1.000 
722  1 G LEU 55  29.670  0.976 0.132 -0.256 1.000 
723  1 G GLU 56  36.340  0.905 0.130 -0.530 1.000 
724  1 G TYR 57  39.520  0.955 0.114 -0.371 1.000 
725  1 G LEU 58  32.860  0.974 0.129 -0.311 1.000 
726  1 G THR 59  32.590  0.964 0.112 -0.387 1.000 
727  1 G ALA 60  39.160  0.976 0.098 -0.578 1.000 
728  1 G GLU 61  48.460  0.898 0.169 -0.015 1.000 
729  1 G ILE 62  38.450  0.971 0.132 -0.248 1.000 
730  1 G LEU 63  37.580  0.968 0.113 -0.606 1.000 
731  1 G GLU 64  47.730  0.907 0.181 0.144  1.000 
732  1 G LEU 65  40.770  0.946 0.165 0.352  1.000 
733  1 G ALA 66  40.140  0.976 0.149 0.329  1.000 
734  1 G GLY 67  45.270  0.975 0.079 -0.806 1.000 
735  1 G ASN 68  46.160  0.959 0.110 -0.505 1.000 
736  1 G ALA 69  48.060  0.944 0.144 0.240  1.000 
737  1 G ALA 70  50.460  0.899 0.125 -0.098 1.000 
738  1 G ARG 71  69.870  0.897 0.348 2.664  1.000 
739  1 G ASP 72  55.400  0.900 0.121 -0.370 1.000 
740  1 G ASN 73  61.760  0.873 0.174 0.483  1.000 
741  1 G LYS 74  70.880  0.853 0.495 4.246  1.000 
742  1 G LYS 75  57.930  0.916 0.192 0.200  1.000 
743  1 G THR 76  55.130  0.935 0.139 0.088  1.000 
744  1 G ARG 77  45.800  0.905 0.112 -0.727 1.000 
745  1 G ILE 78  37.850  0.948 0.169 0.442  1.000 
746  1 G ILE 79  35.340  0.974 0.125 -0.379 1.000 
747  1 G PRO 80  31.850  0.974 0.125 -0.095 1.000 
748  1 G ARG 81  33.650  0.972 0.125 -0.540 1.000 
749  1 G HIS 82  37.560  0.967 0.137 -0.005 1.000 
750  1 G LEU 83  30.440  0.976 0.111 -0.643 1.000 
751  1 G GLN 84  35.860  0.953 0.139 -0.263 1.000 
752  1 G LEU 85  35.600  0.973 0.130 -0.293 1.000 
753  1 G ALA 86  39.850  0.962 0.151 0.365  1.000 
754  1 G ILE 87  35.540  0.957 0.127 -0.341 1.000 
755  1 G ARG 88  35.650  0.964 0.108 -0.784 1.000 
756  1 G ASN 89  37.710  0.978 0.097 -0.705 1.000 
757  1 G ASP 90  44.820  0.946 0.109 -0.549 1.000 
758  1 G GLU 91  53.300  0.852 0.193 0.303  1.000 
759  1 G GLU 92  45.940  0.961 0.098 -0.954 1.000 
760  1 G LEU 93  37.120  0.976 0.096 -0.919 1.000 
761  1 G ASN 94  37.390  0.974 0.102 -0.628 1.000 
762  1 G LYS 95  46.130  0.955 0.150 -0.360 1.000 
763  1 G LEU 96  31.990  0.977 0.146 0.002  1.000 
764  1 G LEU 97  32.580  0.968 0.146 0.002  1.000 
765  1 G GLY 98  35.380  0.979 0.117 -0.192 1.000 
766  1 G ARG 99  49.810  0.874 0.235 1.040  1.000 
767  1 G VAL 100 30.870  0.983 0.167 0.511  1.000 
768  1 G THR 101 31.820  0.981 0.127 -0.123 1.000 
769  1 G ILE 102 32.540  0.933 0.172 0.498  1.000 
770  1 G ALA 103 29.680  0.978 0.134 0.062  1.000 
771  1 G GLN 104 38.550  0.924 0.191 0.488  1.000 
772  1 G GLY 105 30.800  0.988 0.111 -0.289 1.000 
773  1 G GLY 106 31.200  0.976 0.096 -0.532 1.000 
774  1 G VAL 107 33.840  0.963 0.145 0.098  1.000 
775  1 G LEU 108 39.050  0.950 0.154 0.149  1.000 
776  1 G PRO 109 45.200  0.970 0.148 0.296  1.000 
777  1 G ASN 110 49.060  0.921 0.130 -0.196 1.000 
778  1 G ILE 111 38.720  0.970 0.140 -0.099 1.000 
779  1 G GLN 112 40.840  0.951 0.132 -0.364 1.000 
780  1 G ALA 113 39.450  0.963 0.140 0.169  1.000 
781  1 G VAL 114 41.810  0.972 0.144 0.079  1.000 
782  1 G LEU 115 36.090  0.983 0.121 -0.459 1.000 
783  1 G LEU 116 44.730  0.950 0.171 0.462  1.000 
784  1 G PRO 117 55.430  0.908 0.154 0.399  1.000 
785  1 G LYS 118 67.760  0.809 0.276 1.322  1.000 
786  1 G CL  301 35.560  0.988 0.092 ?      1.000 
787  1 G HOH 401 37.450  0.935 0.155 ?      1.000 
788  1 G HOH 402 40.320  0.853 0.323 ?      1.000 
789  1 G HOH 403 47.340  0.837 0.097 ?      1.000 
790  1 G HOH 404 36.470  0.936 0.172 ?      1.000 
791  1 G HOH 405 45.800  0.799 0.253 ?      1.000 
792  1 G HOH 406 35.880  0.877 0.186 ?      1.000 
793  1 G HOH 407 40.920  0.835 0.213 ?      1.000 
794  1 G HOH 408 41.940  0.849 0.184 ?      1.000 
795  1 G HOH 409 39.970  0.941 0.136 ?      1.000 
796  1 G HOH 410 34.530  0.950 0.144 ?      1.000 
797  1 G HOH 411 30.000  0.867 0.187 ?      1.000 
798  1 G HOH 412 24.660  0.953 0.170 ?      1.000 
799  1 H ARG 33  63.020  0.762 0.328 2.376  1.000 
800  1 H LYS 34  59.230  0.878 0.297 1.602  1.000 
801  1 H GLU 35  46.970  0.907 0.179 0.118  1.000 
802  1 H SER 36  38.220  0.954 0.118 -0.278 1.000 
803  1 H TYR 37  30.100  0.976 0.122 -0.215 1.000 
804  1 H SER 38  38.440  0.963 0.138 0.053  1.000 
805  1 H ILE 39  39.440  0.974 0.132 -0.248 1.000 
806  1 H TYR 40  36.790  0.975 0.125 -0.156 1.000 
807  1 H VAL 41  34.150  0.976 0.105 -0.654 1.000 
808  1 H TYR 42  46.320  0.937 0.091 -0.820 1.000 
809  1 H LYS 43  46.080  0.964 0.157 -0.267 1.000 
810  1 H VAL 44  40.510  0.950 0.097 -0.805 1.000 
811  1 H LEU 45  42.330  0.963 0.143 -0.053 1.000 
812  1 H LYS 46  48.350  0.945 0.119 -0.774 1.000 
813  1 H GLN 47  52.220  0.889 0.160 0.040  1.000 
814  1 H VAL 48  48.480  0.963 0.146 0.117  1.000 
815  1 H HIS 49  48.310  0.951 0.108 -0.481 1.000 
816  1 H PRO 50  49.990  0.966 0.117 -0.232 1.000 
817  1 H ASP 51  57.540  0.840 0.150 0.063  1.000 
818  1 H THR 52  48.690  0.922 0.117 -0.299 1.000 
819  1 H GLY 53  41.910  0.960 0.126 -0.047 1.000 
820  1 H ILE 54  36.390  0.962 0.144 -0.024 1.000 
821  1 H SER 55  34.770  0.966 0.130 -0.079 1.000 
822  1 H SER 56  40.710  0.951 0.136 0.020  1.000 
823  1 H LYS 57  45.550  0.946 0.176 -0.013 1.000 
824  1 H ALA 58  31.890  0.973 0.123 -0.133 1.000 
825  1 H MET 59  31.940  0.982 0.127 -0.157 1.000 
826  1 H GLY 60  29.090  0.977 0.148 0.309  1.000 
827  1 H ILE 61  30.300  0.972 0.162 0.312  1.000 
828  1 H MET 62  28.950  0.979 0.149 0.250  1.000 
829  1 H ASN 63  33.170  0.940 0.158 0.236  1.000 
830  1 H SER 64  28.270  0.984 0.135 0.003  1.000 
831  1 H PHE 65  27.990  0.965 0.145 0.164  1.000 
832  1 H VAL 66  28.050  0.986 0.144 0.079  1.000 
833  1 H ASN 67  29.600  0.965 0.132 -0.165 1.000 
834  1 H ASP 68  27.300  0.977 0.125 -0.310 1.000 
835  1 H ILE 69  26.660  0.968 0.133 -0.229 1.000 
836  1 H PHE 70  27.650  0.971 0.130 -0.119 1.000 
837  1 H GLU 71  37.010  0.914 0.202 0.422  1.000 
838  1 H ARG 72  27.460  0.968 0.154 -0.124 1.000 
839  1 H ILE 73  26.240  0.987 0.153 0.144  1.000 
840  1 H ALA 74  26.860  0.977 0.156 0.454  1.000 
841  1 H SER 75  27.030  0.965 0.177 0.698  1.000 
842  1 H GLU 76  30.300  0.981 0.173 0.038  1.000 
843  1 H ALA 77  27.860  0.976 0.114 -0.294 1.000 
844  1 H SER 78  29.980  0.977 0.168 0.549  1.000 
845  1 H ARG 79  36.180  0.970 0.145 -0.253 1.000 
846  1 H LEU 80  30.690  0.958 0.162 0.297  1.000 
847  1 H ALA 81  32.670  0.953 0.169 0.685  1.000 
848  1 H HIS 82  40.890  0.871 0.211 1.210  1.000 
849  1 H TYR 83  40.410  0.928 0.164 0.605  1.000 
850  1 H ASN 84  37.450  0.931 0.160 0.267  1.000 
851  1 H LYS 85  43.190  0.957 0.179 0.027  1.000 
852  1 H ARG 86  48.250  0.951 0.133 -0.425 1.000 
853  1 H SER 87  38.960  0.976 0.138 0.053  1.000 
854  1 H THR 88  35.240  0.978 0.142 0.141  1.000 
855  1 H ILE 89  29.490  0.977 0.149 0.069  1.000 
856  1 H THR 90  32.780  0.982 0.111 -0.404 1.000 
857  1 H SER 91  33.950  0.956 0.145 0.169  1.000 
858  1 H ARG 92  40.750  0.917 0.148 -0.210 1.000 
859  1 H GLU 93  34.220  0.968 0.121 -0.649 1.000 
860  1 H VAL 94  31.570  0.952 0.103 -0.692 1.000 
861  1 H GLN 95  35.020  0.958 0.115 -0.610 1.000 
862  1 H THR 96  31.710  0.969 0.145 0.193  1.000 
863  1 H ALA 97  31.660  0.982 0.100 -0.543 1.000 
864  1 H VAL 98  32.730  0.973 0.175 0.662  1.000 
865  1 H ARG 99  37.830  0.938 0.135 -0.397 1.000 
866  1 H LEU 100 31.360  0.967 0.133 -0.238 1.000 
867  1 H LEU 101 31.920  0.971 0.146 0.002  1.000 
868  1 H LEU 102 37.470  0.943 0.131 -0.274 1.000 
869  1 H PRO 103 40.240  0.976 0.107 -0.402 1.000 
870  1 H GLY 104 43.110  0.962 0.114 -0.241 1.000 
871  1 H GLU 105 53.890  0.872 0.195 0.329  1.000 
872  1 H LEU 106 40.990  0.938 0.171 0.462  1.000 
873  1 H ALA 107 40.010  0.913 0.127 -0.062 1.000 
874  1 H LYS 108 51.920  0.910 0.158 -0.254 1.000 
875  1 H HIS 109 48.930  0.936 0.119 -0.300 1.000 
876  1 H ALA 110 42.370  0.971 0.114 -0.294 1.000 
877  1 H VAL 111 40.930  0.947 0.153 0.248  1.000 
878  1 H SER 112 47.490  0.942 0.149 0.235  1.000 
879  1 H GLU 113 48.920  0.935 0.140 -0.398 1.000 
880  1 H GLY 114 40.310  0.969 0.145 0.260  1.000 
881  1 H THR 115 43.310  0.953 0.135 0.018  1.000 
882  1 H LYS 116 52.320  0.932 0.182 0.067  1.000 
883  1 H ALA 117 40.540  0.967 0.112 -0.329 1.000 
884  1 H VAL 118 39.060  0.976 0.132 -0.147 1.000 
885  1 H THR 119 46.270  0.961 0.168 0.598  1.000 
886  1 H LYS 120 52.260  0.938 0.212 0.467  1.000 
887  1 H TYR 121 46.110  0.957 0.137 0.078  1.000 
888  1 H THR 122 50.970  0.924 0.143 0.158  1.000 
889  1 H SER 123 60.950  0.942 0.229 1.557  1.000 
890  1 H SER 124 61.170  0.875 0.225 1.491  1.000 
891  1 H HOH 201 34.010  0.887 0.139 ?      1.000 
892  1 H HOH 202 29.830  0.893 0.209 ?      1.000 
893  1 H HOH 203 36.390  0.909 0.126 ?      1.000 
894  1 H HOH 204 43.280  0.901 0.313 ?      1.000 
895  1 H HOH 205 38.160  0.932 0.190 ?      1.000 
896  1 H HOH 206 39.210  0.968 0.128 ?      1.000 
897  1 H HOH 207 41.950  0.890 0.128 ?      1.000 
898  1 I DT  2   90.170  0.827 0.295 2.118  1.000 
899  1 I DC  3   81.780  0.897 0.247 1.605  1.000 
900  1 I DA  4   73.600  0.853 0.170 0.267  1.000 
901  1 I DA  5   65.720  0.901 0.172 0.299  1.000 
902  1 I DT  6   60.100  0.905 0.158 0.011  1.000 
903  1 I DA  7   63.590  0.885 0.168 0.235  1.000 
904  1 I DT  8   66.070  0.876 0.155 -0.035 1.000 
905  1 I DC  9   79.840  0.858 0.213 1.032  1.000 
906  1 I DC  10  84.610  0.881 0.194 0.712  1.000 
907  1 I DA  11  82.920  0.862 0.272 1.878  1.000 
908  1 I DC  12  74.710  0.876 0.228 1.285  1.000 
909  1 I DC  13  65.980  0.919 0.170 0.307  1.000 
910  1 I DT  14  60.940  0.933 0.165 0.118  1.000 
911  1 I DG  15  54.590  0.943 0.106 -0.785 1.000 
912  1 I DC  16  53.010  0.961 0.141 -0.182 1.000 
913  1 I DA  17  51.100  0.951 0.121 -0.507 1.000 
914  1 I DG  18  42.620  0.953 0.119 -0.540 1.000 
915  1 I DA  19  36.110  0.964 0.118 -0.555 1.000 
916  1 I DT  20  36.170  0.961 0.135 -0.343 1.000 
917  1 I DT  21  43.100  0.967 0.114 -0.666 1.000 
918  1 I DC  22  47.050  0.950 0.130 -0.368 1.000 
919  1 I DT  23  52.170  0.917 0.214 0.872  1.000 
920  1 I DA  24  54.400  0.921 0.157 0.062  1.000 
921  1 I DC  25  59.200  0.918 0.157 0.088  1.000 
922  1 I DC  26  53.510  0.954 0.120 -0.536 1.000 
923  1 I DA  27  50.770  0.956 0.113 -0.633 1.000 
924  1 I DA  28  47.350  0.970 0.116 -0.586 1.000 
925  1 I DA  29  45.390  0.954 0.135 -0.286 1.000 
926  1 I DA  30  45.090  0.965 0.137 -0.254 1.000 
927  1 I DG  31  52.880  0.956 0.135 -0.238 1.000 
928  1 I DT  32  60.270  0.929 0.141 -0.251 1.000 
929  1 I DG  33  62.580  0.921 0.161 0.253  1.000 
930  1 I DT  34  63.450  0.910 0.109 -0.743 1.000 
931  1 I DA  35  63.360  0.912 0.147 -0.096 1.000 
932  1 I DT  36  62.280  0.942 0.167 0.149  1.000 
933  1 I DT  37  59.320  0.925 0.110 -0.728 1.000 
934  1 I DT  38  60.750  0.899 0.150 -0.112 1.000 
935  1 I DG  39  74.220  0.798 0.171 0.442  1.000 
936  1 I DG  40  87.490  0.787 0.179 0.592  1.000 
937  1 I DA  41  94.830  0.844 0.254 1.594  1.000 
938  1 I DA  42  101.730 0.770 0.270 1.847  1.000 
939  1 I DA  43  101.650 0.827 0.282 2.036  1.000 
940  1 I DC  44  100.110 0.787 0.341 3.191  1.000 
941  1 I DT  45  92.110  0.863 0.239 1.257  1.000 
942  1 I DG  46  89.620  0.830 0.232 1.592  1.000 
943  1 I DC  47  88.850  0.888 0.145 -0.115 1.000 
944  1 I DT  48  80.970  0.866 0.153 -0.066 1.000 
945  1 I DC  49  70.420  0.900 0.155 0.054  1.000 
946  1 I DC  50  68.860  0.933 0.137 -0.250 1.000 
947  1 I DA  51  76.040  0.908 0.133 -0.318 1.000 
948  1 I DT  52  77.090  0.897 0.122 -0.543 1.000 
949  1 I DC  53  74.990  0.906 0.140 -0.199 1.000 
950  1 I DA  54  68.860  0.911 0.176 0.362  1.000 
951  1 I DA  55  58.050  0.919 0.137 -0.254 1.000 
952  1 I DA  56  54.390  0.950 0.153 -0.002 1.000 
953  1 I DA  57  64.380  0.902 0.166 0.204  1.000 
954  1 I DG  58  65.240  0.922 0.141 -0.125 1.000 
955  1 I DG  59  59.580  0.922 0.153 0.102  1.000 
956  1 I DC  60  50.590  0.964 0.141 -0.182 1.000 
957  1 I DA  61  52.970  0.946 0.138 -0.239 1.000 
958  1 I DT  62  59.520  0.943 0.124 -0.512 1.000 
959  1 I DG  63  62.660  0.909 0.153 0.102  1.000 
960  1 I DT  64  62.980  0.938 0.124 -0.512 1.000 
961  1 I DT  65  59.560  0.937 0.111 -0.712 1.000 
962  1 I DC  66  53.930  0.953 0.137 -0.250 1.000 
963  1 I DA  67  45.500  0.961 0.136 -0.270 1.000 
964  1 I DG  68  41.810  0.967 0.103 -0.842 1.000 
965  1 I DC  69  35.390  0.976 0.115 -0.621 1.000 
966  1 I DT  70  33.690  0.976 0.110 -0.728 1.000 
967  1 I DG  71  43.470  0.941 0.123 -0.464 1.000 
968  1 I DA  72  50.870  0.929 0.149 -0.065 1.000 
969  1 I DA  73  51.420  0.949 0.130 -0.365 1.000 
970  1 I DT  74  54.870  0.935 0.158 0.011  1.000 
971  1 I DT  75  55.540  0.927 0.119 -0.589 1.000 
972  1 I DC  76  54.560  0.912 0.124 -0.469 1.000 
973  1 I DA  77  51.830  0.918 0.122 -0.491 1.000 
974  1 I DG  78  53.130  0.925 0.132 -0.294 1.000 
975  1 I DC  79  44.880  0.934 0.113 -0.654 1.000 
976  1 I DT  80  38.860  0.963 0.110 -0.728 1.000 
977  1 I DG  81  31.530  0.977 0.116 -0.596 1.000 
978  1 I DA  82  32.060  0.982 0.120 -0.523 1.000 
979  1 I DA  83  40.290  0.969 0.122 -0.491 1.000 
980  1 I DC  84  47.990  0.903 0.137 -0.250 1.000 
981  1 I DA  85  43.990  0.949 0.127 -0.412 1.000 
982  1 I DT  86  46.940  0.943 0.116 -0.635 1.000 
983  1 I DG  87  44.230  0.961 0.089 -1.106 1.000 
984  1 I DC  88  45.940  0.952 0.125 -0.452 1.000 
985  1 I DC  89  46.590  0.970 0.118 -0.570 1.000 
986  1 I DT  90  38.920  0.967 0.143 -0.220 1.000 
987  1 I DT  91  41.310  0.974 0.130 -0.420 1.000 
988  1 I DT  92  58.140  0.929 0.125 -0.497 1.000 
989  1 I DT  93  61.980  0.920 0.117 -0.620 1.000 
990  1 I DG  94  55.670  0.946 0.127 -0.389 1.000 
991  1 I DA  95  53.600  0.953 0.167 0.220  1.000 
992  1 I DT  96  58.900  0.900 0.203 0.703  1.000 
993  1 I DG  97  63.850  0.872 0.230 1.555  1.000 
994  1 I DG  98  62.830  0.892 0.193 0.857  1.000 
995  1 I DA  99  60.080  0.914 0.169 0.251  1.000 
996  1 I DG  100 53.910  0.898 0.135 -0.238 1.000 
997  1 I DC  101 55.750  0.947 0.150 -0.030 1.000 
998  1 I DA  102 65.110  0.866 0.127 -0.412 1.000 
999  1 I DG  103 67.390  0.888 0.154 0.121  1.000 
1000 1 I DT  104 67.320  0.922 0.104 -0.820 1.000 
1001 1 I DT  105 67.830  0.897 0.131 -0.405 1.000 
1002 1 I DT  106 66.750  0.885 0.163 0.088  1.000 
1003 1 I DC  107 61.630  0.922 0.125 -0.452 1.000 
1004 1 I DC  108 59.750  0.929 0.151 -0.013 1.000 
1005 1 I DA  109 56.940  0.946 0.127 -0.412 1.000 
1006 1 I DA  110 52.450  0.934 0.119 -0.539 1.000 
1007 1 I DA  111 46.840  0.932 0.124 -0.460 1.000 
1008 1 I DT  112 39.370  0.973 0.130 -0.420 1.000 
1009 1 I DA  113 46.680  0.951 0.130 -0.365 1.000 
1010 1 I DC  114 49.610  0.963 0.118 -0.570 1.000 
1011 1 I DA  115 53.570  0.937 0.131 -0.349 1.000 
1012 1 I DC  116 55.770  0.942 0.141 -0.182 1.000 
1013 1 I DT  117 49.550  0.953 0.128 -0.451 1.000 
1014 1 I DT  118 46.070  0.958 0.123 -0.528 1.000 
1015 1 I DT  119 43.270  0.943 0.112 -0.697 1.000 
1016 1 I DT  120 43.080  0.968 0.105 -0.805 1.000 
1017 1 I DG  121 42.950  0.949 0.132 -0.294 1.000 
1018 1 I DG  122 41.330  0.972 0.122 -0.483 1.000 
1019 1 I DT  123 44.260  0.975 0.122 -0.543 1.000 
1020 1 I DA  124 47.290  0.965 0.104 -0.776 1.000 
1021 1 I DG  125 47.620  0.957 0.123 -0.464 1.000 
1022 1 I DA  126 45.960  0.955 0.134 -0.302 1.000 
1023 1 I DA  127 48.910  0.949 0.115 -0.602 1.000 
1024 1 I DT  128 52.540  0.952 0.128 -0.451 1.000 
1025 1 I DC  129 52.440  0.943 0.134 -0.300 1.000 
1026 1 I DT  130 52.760  0.938 0.130 -0.420 1.000 
1027 1 I DG  131 54.440  0.915 0.134 -0.257 1.000 
1028 1 I DC  132 60.340  0.897 0.146 -0.098 1.000 
1029 1 I DA  133 66.650  0.915 0.132 -0.333 1.000 
1030 1 I DG  134 66.330  0.887 0.142 -0.106 1.000 
1031 1 I DG  135 64.390  0.884 0.181 0.630  1.000 
1032 1 I DT  136 61.060  0.900 0.148 -0.143 1.000 
1033 1 I DG  137 71.780  0.804 0.191 0.819  1.000 
1034 1 I DG  138 76.950  0.869 0.165 0.328  1.000 
1035 1 I DA  139 76.630  0.884 0.188 0.551  1.000 
1036 1 I DT  140 75.990  0.863 0.194 0.565  1.000 
1037 1 I DA  141 70.390  0.917 0.147 -0.096 1.000 
1038 1 I DT  142 58.960  0.940 0.143 -0.220 1.000 
1039 1 I DT  143 54.630  0.968 0.122 -0.543 1.000 
1040 1 I DG  144 61.140  0.914 0.115 -0.615 1.000 
1041 1 I DA  145 68.120  0.902 0.181 0.441  1.000 
1042 1 I DT  146 73.580  0.833 0.281 1.903  1.000 
1043 1 I MN  301 55.450  0.975 0.132 ?      1.000 
1044 1 I MN  302 59.140  0.978 0.112 ?      1.000 
1045 1 I MN  303 72.650  0.956 0.158 ?      1.000 
1046 1 I MN  304 55.740  0.924 0.084 ?      1.000 
1047 1 I MN  305 67.690  0.946 0.045 ?      1.000 
1048 1 I MN  306 87.190  0.843 0.069 ?      1.000 
1049 1 I HOH 401 51.080  0.896 0.141 ?      1.000 
1050 1 I HOH 402 53.960  0.728 0.089 ?      1.000 
1051 1 I HOH 403 49.300  0.897 0.194 ?      1.000 
1052 1 I HOH 404 36.820  0.923 0.126 ?      1.000 
1053 1 I HOH 405 55.140  0.621 0.167 ?      1.000 
1054 1 I HOH 406 47.870  0.950 0.113 ?      1.000 
1055 1 I HOH 407 59.290  0.805 0.107 ?      1.000 
1056 1 I HOH 408 45.530  0.899 0.144 ?      1.000 
1057 1 I HOH 409 38.050  0.930 0.134 ?      1.000 
1058 1 I HOH 410 38.460  0.981 0.374 ?      1.000 
1059 1 I HOH 411 44.610  0.935 0.159 ?      1.000 
1060 1 I HOH 412 36.690  0.866 0.156 ?      1.000 
1061 1 I HOH 413 30.120  0.972 0.312 ?      1.000 
1062 1 I HOH 414 43.270  0.646 0.245 ?      1.000 
1063 1 I HOH 415 44.420  0.848 0.225 ?      1.000 
1064 1 I HOH 416 36.850  0.933 0.267 ?      1.000 
1065 1 I HOH 417 43.160  0.948 0.160 ?      1.000 
1066 1 I HOH 418 41.480  0.825 0.142 ?      1.000 
1067 1 I HOH 419 44.390  0.962 0.295 ?      1.000 
1068 1 I HOH 420 39.110  0.835 0.246 ?      1.000 
1069 1 I HOH 421 37.460  0.850 0.289 ?      1.000 
1070 1 I HOH 422 43.620  0.639 0.265 ?      1.000 
1071 1 I HOH 423 33.480  0.901 0.188 ?      1.000 
1072 1 I HOH 424 46.590  0.774 0.143 ?      1.000 
1073 1 I HOH 425 38.010  0.908 0.143 ?      1.000 
1074 1 I HOH 426 41.680  0.882 0.351 ?      1.000 
1075 1 I HOH 427 38.410  0.690 0.379 ?      1.000 
1076 1 I HOH 428 36.580  0.969 0.142 ?      1.000 
1077 1 I HOH 429 39.950  0.950 0.180 ?      1.000 
1078 1 I HOH 430 37.320  0.916 0.135 ?      1.000 
1079 1 I HOH 431 44.740  0.626 0.342 ?      1.000 
1080 1 I HOH 432 60.490  0.961 0.100 ?      1.000 
1081 1 I HOH 433 45.090  0.934 0.167 ?      1.000 
1082 1 I HOH 434 50.470  0.892 0.156 ?      1.000 
1083 1 I HOH 435 38.740  0.987 0.090 ?      1.000 
1084 1 I HOH 436 62.840  0.565 0.147 ?      1.000 
1085 1 I HOH 437 52.680  0.808 0.289 ?      1.000 
1086 1 I HOH 438 44.990  0.966 0.249 ?      1.000 
1087 1 I HOH 439 39.520  0.880 0.246 ?      1.000 
1088 1 I HOH 440 49.650  0.905 0.259 ?      1.000 
1089 1 I HOH 441 51.810  0.979 0.122 ?      1.000 
1090 1 J DA  147 78.280  0.821 0.240 1.373  1.000 
1091 1 J DT  148 86.920  0.814 0.271 1.749  1.000 
1092 1 J DC  149 87.280  0.820 0.286 2.263  1.000 
1093 1 J DA  150 85.590  0.837 0.184 0.488  1.000 
1094 1 J DA  151 78.950  0.878 0.198 0.709  1.000 
1095 1 J DT  152 70.090  0.881 0.150 -0.112 1.000 
1096 1 J DA  153 60.620  0.919 0.139 -0.223 1.000 
1097 1 J DT  154 57.520  0.948 0.130 -0.420 1.000 
1098 1 J DC  155 62.750  0.926 0.135 -0.283 1.000 
1099 1 J DC  156 67.790  0.920 0.104 -0.806 1.000 
1100 1 J DA  157 67.580  0.902 0.132 -0.333 1.000 
1101 1 J DC  158 71.080  0.881 0.155 0.054  1.000 
1102 1 J DC  159 65.340  0.917 0.172 0.341  1.000 
1103 1 J DT  160 62.180  0.948 0.149 -0.128 1.000 
1104 1 J DG  161 65.650  0.915 0.198 0.951  1.000 
1105 1 J DC  162 64.350  0.914 0.145 -0.115 1.000 
1106 1 J DA  163 57.590  0.928 0.133 -0.318 1.000 
1107 1 J DG  164 53.190  0.926 0.127 -0.389 1.000 
1108 1 J DA  165 47.200  0.944 0.144 -0.144 1.000 
1109 1 J DT  166 43.780  0.950 0.145 -0.189 1.000 
1110 1 J DT  167 45.460  0.977 0.115 -0.651 1.000 
1111 1 J DC  168 48.210  0.948 0.091 -1.025 1.000 
1112 1 J DT  169 49.640  0.930 0.138 -0.297 1.000 
1113 1 J DA  170 47.410  0.953 0.111 -0.665 1.000 
1114 1 J DC  171 46.680  0.953 0.107 -0.755 1.000 
1115 1 J DC  172 49.280  0.959 0.130 -0.368 1.000 
1116 1 J DA  173 53.230  0.945 0.143 -0.160 1.000 
1117 1 J DA  174 50.190  0.955 0.107 -0.728 1.000 
1118 1 J DA  175 46.900  0.955 0.123 -0.476 1.000 
1119 1 J DA  176 43.990  0.974 0.112 -0.649 1.000 
1120 1 J DG  177 46.790  0.967 0.111 -0.691 1.000 
1121 1 J DT  178 53.710  0.928 0.151 -0.097 1.000 
1122 1 J DG  179 56.230  0.913 0.131 -0.313 1.000 
1123 1 J DT  180 56.450  0.893 0.168 0.165  1.000 
1124 1 J DA  181 46.340  0.950 0.123 -0.476 1.000 
1125 1 J DT  182 44.910  0.956 0.117 -0.620 1.000 
1126 1 J DT  183 45.730  0.939 0.139 -0.282 1.000 
1127 1 J DT  184 47.360  0.950 0.124 -0.512 1.000 
1128 1 J DG  185 43.380  0.962 0.122 -0.483 1.000 
1129 1 J DG  186 42.640  0.979 0.127 -0.389 1.000 
1130 1 J DA  187 57.220  0.929 0.106 -0.744 1.000 
1131 1 J DA  188 66.800  0.880 0.116 -0.586 1.000 
1132 1 J DA  189 72.360  0.931 0.140 -0.207 1.000 
1133 1 J DC  190 78.940  0.863 0.136 -0.266 1.000 
1134 1 J DT  191 81.780  0.857 0.188 0.472  1.000 
1135 1 J DG  192 82.430  0.780 0.207 1.121  1.000 
1136 1 J DC  193 80.720  0.789 0.228 1.285  1.000 
1137 1 J DT  194 73.280  0.852 0.220 0.965  1.000 
1138 1 J DC  195 66.750  0.911 0.170 0.307  1.000 
1139 1 J DC  196 50.190  0.945 0.157 0.088  1.000 
1140 1 J DA  197 43.050  0.968 0.149 -0.065 1.000 
1141 1 J DT  198 47.030  0.951 0.137 -0.312 1.000 
1142 1 J DC  199 55.370  0.954 0.186 0.577  1.000 
1143 1 J DA  200 61.550  0.943 0.191 0.599  1.000 
1144 1 J DA  201 65.420  0.922 0.143 -0.160 1.000 
1145 1 J DA  202 64.850  0.928 0.155 0.030  1.000 
1146 1 J DA  203 68.910  0.847 0.146 -0.112 1.000 
1147 1 J DG  204 61.860  0.912 0.122 -0.483 1.000 
1148 1 J DG  205 51.230  0.957 0.112 -0.672 1.000 
1149 1 J DC  206 43.810  0.974 0.128 -0.401 1.000 
1150 1 J DA  207 35.550  0.979 0.128 -0.397 1.000 
1151 1 J DT  208 37.930  0.978 0.135 -0.343 1.000 
1152 1 J DG  209 45.960  0.948 0.126 -0.408 1.000 
1153 1 J DT  210 49.520  0.944 0.136 -0.328 1.000 
1154 1 J DT  211 44.770  0.956 0.110 -0.728 1.000 
1155 1 J DC  212 43.660  0.954 0.106 -0.772 1.000 
1156 1 J DA  213 46.250  0.954 0.098 -0.870 1.000 
1157 1 J DG  214 46.010  0.965 0.124 -0.445 1.000 
1158 1 J DC  215 43.960  0.968 0.090 -1.042 1.000 
1159 1 J DT  216 39.980  0.971 0.110 -0.728 1.000 
1160 1 J DG  217 37.810  0.978 0.118 -0.558 1.000 
1161 1 J DA  218 46.240  0.965 0.110 -0.681 1.000 
1162 1 J DA  219 49.710  0.951 0.105 -0.760 1.000 
1163 1 J DT  220 50.650  0.938 0.133 -0.374 1.000 
1164 1 J DT  221 47.500  0.945 0.121 -0.558 1.000 
1165 1 J DC  222 47.990  0.951 0.122 -0.503 1.000 
1166 1 J DA  223 48.410  0.941 0.149 -0.065 1.000 
1167 1 J DG  224 50.050  0.947 0.139 -0.162 1.000 
1168 1 J DC  225 48.120  0.948 0.135 -0.283 1.000 
1169 1 J DT  226 46.130  0.945 0.133 -0.374 1.000 
1170 1 J DG  227 42.170  0.959 0.117 -0.577 1.000 
1171 1 J DA  228 38.360  0.981 0.124 -0.460 1.000 
1172 1 J DA  229 40.580  0.980 0.125 -0.444 1.000 
1173 1 J DC  230 48.480  0.960 0.138 -0.233 1.000 
1174 1 J DA  231 61.980  0.938 0.144 -0.144 1.000 
1175 1 J DT  232 71.630  0.863 0.172 0.226  1.000 
1176 1 J DG  233 71.070  0.883 0.226 1.479  1.000 
1177 1 J DC  234 76.570  0.870 0.217 1.099  1.000 
1178 1 J DC  235 67.590  0.920 0.163 0.189  1.000 
1179 1 J DT  236 54.980  0.959 0.112 -0.697 1.000 
1180 1 J DT  237 47.210  0.972 0.123 -0.528 1.000 
1181 1 J DT  238 47.140  0.970 0.119 -0.589 1.000 
1182 1 J DT  239 56.840  0.927 0.147 -0.158 1.000 
1183 1 J DG  240 70.440  0.846 0.266 2.234  1.000 
1184 1 J DA  241 78.800  0.852 0.284 2.068  1.000 
1185 1 J DT  242 86.230  0.806 0.212 0.842  1.000 
1186 1 J DG  243 89.420  0.800 0.178 0.574  1.000 
1187 1 J DG  244 88.370  0.799 0.198 0.951  1.000 
1188 1 J DA  245 85.700  0.856 0.176 0.362  1.000 
1189 1 J DG  246 82.210  0.879 0.227 1.498  1.000 
1190 1 J DC  247 76.350  0.911 0.154 0.037  1.000 
1191 1 J DA  248 77.450  0.894 0.148 -0.081 1.000 
1192 1 J DG  249 91.890  0.794 0.192 0.838  1.000 
1193 1 J DT  250 99.370  0.791 0.287 1.995  1.000 
1194 1 J DT  251 98.580  0.780 0.211 0.826  1.000 
1195 1 J DT  252 97.510  0.795 0.242 1.303  1.000 
1196 1 J DC  253 96.340  0.713 0.225 1.234  1.000 
1197 1 J DC  254 88.780  0.741 0.246 1.589  1.000 
1198 1 J DA  255 76.890  0.874 0.192 0.615  1.000 
1199 1 J DA  256 65.580  0.920 0.161 0.125  1.000 
1200 1 J DA  257 55.650  0.931 0.113 -0.633 1.000 
1201 1 J DT  258 46.740  0.949 0.109 -0.743 1.000 
1202 1 J DA  259 44.530  0.963 0.117 -0.570 1.000 
1203 1 J DC  260 51.150  0.951 0.116 -0.604 1.000 
1204 1 J DA  261 52.760  0.921 0.138 -0.239 1.000 
1205 1 J DC  262 51.640  0.949 0.108 -0.739 1.000 
1206 1 J DT  263 55.270  0.944 0.146 -0.174 1.000 
1207 1 J DT  264 59.680  0.900 0.149 -0.128 1.000 
1208 1 J DT  265 57.610  0.897 0.156 -0.020 1.000 
1209 1 J DT  266 52.320  0.943 0.133 -0.374 1.000 
1210 1 J DG  267 45.770  0.956 0.102 -0.860 1.000 
1211 1 J DG  268 39.350  0.974 0.120 -0.521 1.000 
1212 1 J DT  269 39.610  0.975 0.118 -0.605 1.000 
1213 1 J DA  270 44.130  0.969 0.112 -0.649 1.000 
1214 1 J DG  271 55.640  0.906 0.196 0.913  1.000 
1215 1 J DA  272 54.790  0.933 0.142 -0.175 1.000 
1216 1 J DA  273 53.450  0.952 0.177 0.378  1.000 
1217 1 J DT  274 48.930  0.962 0.142 -0.235 1.000 
1218 1 J DC  275 46.210  0.960 0.115 -0.621 1.000 
1219 1 J DT  276 47.170  0.967 0.126 -0.482 1.000 
1220 1 J DG  277 45.420  0.949 0.136 -0.219 1.000 
1221 1 J DC  278 43.380  0.977 0.108 -0.739 1.000 
1222 1 J DA  279 54.400  0.934 0.110 -0.681 1.000 
1223 1 J DG  280 63.820  0.921 0.129 -0.351 1.000 
1224 1 J DG  281 72.850  0.818 0.204 1.064  1.000 
1225 1 J DT  282 85.010  0.736 0.254 1.488  1.000 
1226 1 J DG  283 87.890  0.660 0.230 1.555  1.000 
1227 1 J DG  284 82.790  0.875 0.174 0.498  1.000 
1228 1 J DA  285 80.960  0.874 0.199 0.725  1.000 
1229 1 J DT  286 81.560  0.877 0.205 0.734  1.000 
1230 1 J DA  287 74.850  0.908 0.172 0.299  1.000 
1231 1 J DT  288 63.450  0.954 0.141 -0.251 1.000 
1232 1 J DT  289 53.180  0.965 0.134 -0.358 1.000 
1233 1 J DG  290 48.730  0.967 0.119 -0.540 1.000 
1234 1 J DA  291 57.830  0.902 0.166 0.204  1.000 
1235 1 J MN  401 57.680  0.984 0.054 ?      1.000 
1236 1 J MN  402 56.690  0.945 0.084 ?      1.000 
1237 1 J MN  403 67.600  0.927 0.103 ?      1.000 
1238 1 J MN  404 71.930  0.943 0.106 ?      1.000 
1239 1 J MN  405 65.730  0.958 0.038 ?      1.000 
1240 1 J MN  406 81.240  0.912 0.093 ?      1.000 
1241 1 J HOH 501 38.730  0.798 0.161 ?      1.000 
1242 1 J HOH 502 38.190  0.915 0.361 ?      1.000 
1243 1 J HOH 503 45.200  0.959 0.129 ?      1.000 
1244 1 J HOH 504 41.910  0.859 0.218 ?      1.000 
1245 1 J HOH 505 52.640  0.988 0.159 ?      1.000 
1246 1 J HOH 506 47.090  0.931 0.220 ?      1.000 
1247 1 J HOH 507 45.650  0.850 0.181 ?      1.000 
1248 1 J HOH 508 46.140  0.812 0.175 ?      1.000 
1249 1 J HOH 509 44.060  0.832 0.135 ?      1.000 
1250 1 J HOH 510 48.920  0.954 0.172 ?      1.000 
1251 1 J HOH 511 38.230  0.966 0.187 ?      1.000 
1252 1 J HOH 512 50.960  0.890 0.170 ?      1.000 
1253 1 J HOH 513 47.320  0.744 0.296 ?      1.000 
1254 1 J HOH 514 39.290  0.760 0.261 ?      1.000 
1255 1 J HOH 515 40.570  0.905 0.131 ?      1.000 
1256 1 J HOH 516 35.400  0.925 0.126 ?      1.000 
1257 1 J HOH 517 43.160  0.988 0.076 ?      1.000 
1258 1 J HOH 518 32.750  0.941 0.165 ?      1.000 
1259 1 J HOH 519 54.590  0.974 0.087 ?      1.000 
1260 1 J HOH 520 39.680  0.876 0.193 ?      1.000 
1261 1 J HOH 521 42.360  0.925 0.140 ?      1.000 
1262 1 J HOH 522 44.620  0.823 0.283 ?      1.000 
1263 1 J HOH 523 41.430  0.961 0.487 ?      1.000 
1264 1 J HOH 524 44.190  0.861 0.193 ?      1.000 
1265 1 J HOH 525 36.260  0.770 0.193 ?      1.000 
1266 1 J HOH 526 46.870  0.920 0.327 ?      1.000 
1267 1 J HOH 527 42.810  0.738 0.284 ?      1.000 
1268 1 J HOH 528 41.890  0.938 0.142 ?      1.000 
1269 1 J HOH 529 47.430  0.879 0.258 ?      1.000 
1270 1 J HOH 530 43.010  0.985 0.120 ?      1.000 
1271 1 J HOH 531 50.590  0.979 0.203 ?      1.000 
1272 1 J HOH 532 51.210  0.970 0.094 ?      1.000 
1273 1 J HOH 533 44.000  0.796 0.219 ?      1.000 
1274 1 J HOH 534 38.800  0.896 0.130 ?      1.000 
1275 1 J HOH 535 38.930  0.904 0.297 ?      1.000 
1276 1 J HOH 536 36.720  0.701 0.187 ?      1.000 
1277 1 J HOH 537 50.060  0.968 0.060 ?      1.000 
1278 1 J HOH 538 45.640  0.974 0.326 ?      1.000 
1279 1 J HOH 539 42.030  0.807 0.152 ?      1.000 
1280 1 J HOH 540 44.350  0.929 0.115 ?      1.000 
1281 1 J HOH 541 46.410  0.952 0.272 ?      1.000 
1282 1 J HOH 542 59.880  0.883 0.246 ?      1.000 
1283 1 J HOH 543 40.830  0.900 0.129 ?      1.000 
1284 1 J HOH 544 54.020  0.978 0.071 ?      1.000 
1285 1 J HOH 545 42.010  0.884 0.304 ?      1.000 
# 
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.RSCC_all 
_struct_mon_prot.RSR_all 
_struct_mon_prot.mean_B_all 
_struct_mon_prot.pdbx_rotamer 
_struct_mon_prot.phi 
_struct_mon_prot.psi 
_struct_mon_prot.pdbx_Ramachandran_region 
_struct_mon_prot.pdbx_flippable_side_chain 
1   1 A PRO 38  0.877 0.243 70.930 Cg_exo  ?      ?      ?       ? 
2   1 A HIS 39  0.891 0.114 58.520 t60     -72.4  140.5  Favored ? 
3   1 A ARG 40  0.918 0.150 51.300 mtp85   -147.3 122.0  Favored ? 
4   1 A TYR 41  0.971 0.135 43.520 m-85    -74.8  151.6  Favored ? 
5   1 A HIS 42  0.944 0.113 44.440 m170    -72.3  147.7  Favored ? 
6   1 A PRO 43  0.953 0.156 39.740 Cg_endo -56.2  131.1  Favored ? 
7   1 A GLY 44  0.931 0.093 36.620 ?       106.2  -27.1  Favored ? 
8   1 A THR 45  0.962 0.137 34.150 m       -71.0  -42.6  Favored ? 
9   1 A VAL 46  0.959 0.142 33.980 t       -73.5  -36.2  Favored ? 
10  1 A ALA 47  0.973 0.114 34.630 ?       -56.2  -48.8  Favored ? 
11  1 A LEU 48  0.959 0.153 37.670 mt      -60.1  -44.2  Favored ? 
12  1 A ARG 49  0.956 0.119 41.670 ttp180  -55.8  -42.6  Favored ? 
13  1 A GLU 50  0.960 0.115 41.770 mt-10   -69.1  -36.0  Favored ? 
14  1 A ILE 51  0.971 0.118 34.380 mt      -61.8  -47.3  Favored ? 
15  1 A ARG 52  0.947 0.138 41.520 mtt85   -61.5  -43.1  Favored ? 
16  1 A ARG 53  0.924 0.189 42.800 ttt180  -59.4  -56.5  Favored ? 
17  1 A TYR 54  0.972 0.149 32.840 m-85    -78.3  -19.0  Favored ? 
18  1 A GLN 55  0.977 0.157 33.800 mt-30   -76.5  -24.8  Favored ? 
19  1 A LYS 56  0.930 0.175 45.860 ttmt    -80.3  -25.2  Favored ? 
20  1 A SER 57  0.973 0.104 37.810 p       -94.2  165.4  Favored ? 
21  1 A THR 58  0.981 0.124 35.540 p       -122.5 -2.5   Favored ? 
22  1 A GLU 59  0.927 0.147 38.000 pm0     -70.6  153.2  Favored ? 
23  1 A LEU 60  0.964 0.167 35.590 mt      -60.1  142.6  Favored ? 
24  1 A LEU 61  0.965 0.166 32.820 mt      -106.8 -15.8  Favored ? 
25  1 A ILE 62  0.938 0.130 34.490 mt      -92.7  140.3  Favored ? 
26  1 A ARG 63  0.873 0.176 49.140 mtm180  -67.0  141.2  Favored ? 
27  1 A LYS 64  0.941 0.191 46.920 mmtp    -62.7  -55.5  Favored ? 
28  1 A LEU 65  0.951 0.136 46.140 tp      -59.4  -45.2  Favored ? 
29  1 A PRO 66  0.966 0.155 41.830 Cg_exo  -59.2  -44.1  Favored ? 
30  1 A PHE 67  0.975 0.120 37.310 t80     -61.1  -48.2  Favored ? 
31  1 A GLN 68  0.946 0.117 50.890 tt0     -57.5  -43.3  Favored ? 
32  1 A ARG 69  0.947 0.160 48.940 ttm180  -59.9  -44.4  Favored ? 
33  1 A LEU 70  0.969 0.131 42.150 tp      -58.5  -50.1  Favored ? 
34  1 A VAL 71  0.975 0.125 41.840 t       -53.5  -49.8  Favored ? 
35  1 A ARG 72  0.970 0.114 49.340 mtt-85  -65.0  -41.3  Favored ? 
36  1 A GLU 73  0.862 0.169 55.700 tt0     -56.8  -49.6  Favored ? 
37  1 A ILE 74  0.974 0.123 47.590 mt      -62.5  -42.0  Favored ? 
38  1 A ALA 75  0.962 0.138 55.230 ?       -63.7  -35.3  Favored ? 
39  1 A GLN 76  0.869 0.282 70.680 mm100   -55.1  -34.0  Favored ? 
40  1 A ASP 77  0.860 0.174 69.720 m-20    -66.5  -26.4  Favored ? 
41  1 A PHE 78  0.893 0.140 60.150 m-85    -90.5  -49.6  Favored ? 
42  1 A LYS 79  0.853 0.244 67.740 tttp    -150.9 145.5  Favored ? 
43  1 A THR 80  0.830 0.286 78.560 p       -99.1  157.7  Favored ? 
44  1 A ASP 81  0.850 0.243 77.680 m-20    57.6   35.1   Favored ? 
45  1 A LEU 82  0.975 0.171 55.360 mt      -77.6  144.4  Favored ? 
46  1 A ARG 83  0.861 0.202 63.680 mtt180  -105.6 166.3  Favored ? 
47  1 A PHE 84  0.974 0.161 41.620 m-85    -132.0 132.5  Favored ? 
48  1 A GLN 85  0.959 0.165 43.030 mt-30   -58.8  143.0  Favored ? 
49  1 A SER 86  0.949 0.097 39.950 p       -62.6  -37.7  Favored ? 
50  1 A SER 87  0.975 0.172 35.060 p       -64.9  -23.6  Favored ? 
51  1 A ALA 88  0.977 0.146 32.920 ?       -68.2  -42.4  Favored ? 
52  1 A VAL 89  0.966 0.163 34.470 t       -63.5  -43.1  Favored ? 
53  1 A MET 90  0.938 0.143 37.170 mmt     -64.5  -36.2  Favored ? 
54  1 A ALA 91  0.964 0.144 29.950 ?       -65.1  -46.3  Favored ? 
55  1 A LEU 92  0.967 0.161 29.640 mt      -57.0  -39.2  Favored ? 
56  1 A GLN 93  0.969 0.138 32.480 tt0     -73.5  -41.5  Favored ? 
57  1 A GLU 94  0.966 0.154 34.000 mm-40   -55.4  -48.8  Favored ? 
58  1 A ALA 95  0.993 0.152 27.750 ?       -60.1  -48.7  Favored ? 
59  1 A CYS 96  0.950 0.129 33.050 m       -63.4  -44.5  Favored ? 
60  1 A GLU 97  0.982 0.163 31.610 mt-10   -70.1  -38.7  Favored ? 
61  1 A SER 98  0.952 0.164 31.500 t       -59.6  -47.8  Favored ? 
62  1 A TYR 99  0.962 0.111 30.890 t80     -56.2  -48.1  Favored ? 
63  1 A LEU 100 0.973 0.160 27.990 mt      -66.3  -45.5  Favored ? 
64  1 A VAL 101 0.950 0.198 27.990 t       -57.1  -50.2  Favored ? 
65  1 A GLY 102 0.987 0.144 26.880 ?       -57.2  -42.4  Favored ? 
66  1 A LEU 103 0.985 0.171 27.640 tp      -60.4  -39.8  Favored ? 
67  1 A PHE 104 0.983 0.126 28.660 m-85    -70.8  -32.7  Favored ? 
68  1 A GLU 105 0.951 0.163 34.970 mt-10   -59.3  -51.4  Favored ? 
69  1 A ASP 106 0.977 0.119 29.510 m-20    -63.1  -42.6  Favored ? 
70  1 A THR 107 0.985 0.129 27.720 m       -56.8  -43.5  Favored ? 
71  1 A ASN 108 0.965 0.109 28.850 t30     -62.4  -46.5  Favored ? 
72  1 A LEU 109 0.969 0.140 29.250 mt      -56.8  -37.0  Favored ? 
73  1 A CYS 110 0.976 0.090 27.190 m       -65.3  -46.5  Favored ? 
74  1 A ALA 111 0.985 0.090 28.820 ?       -55.5  -49.8  Favored ? 
75  1 A ILE 112 0.972 0.144 28.630 mt      -62.7  -33.0  Favored ? 
76  1 A HIS 113 0.979 0.104 28.410 t60     -62.8  -34.2  Favored ? 
77  1 A ALA 114 0.981 0.095 30.530 ?       -87.6  17.3   Favored ? 
78  1 A LYS 115 0.953 0.212 42.990 mmtp    62.3   30.7   Favored ? 
79  1 A ARG 116 0.976 0.115 31.750 mtm105  -113.8 159.1  Favored ? 
80  1 A VAL 117 0.965 0.193 34.120 t       -113.3 -5.8   Favored ? 
81  1 A THR 118 0.979 0.107 32.440 m       -107.5 121.6  Favored ? 
82  1 A ILE 119 0.978 0.115 28.440 pt      -78.5  142.9  Favored ? 
83  1 A MET 120 0.962 0.127 33.960 mtt     -133.0 160.2  Favored ? 
84  1 A PRO 121 0.966 0.109 32.470 Cg_exo  -50.0  -37.7  Favored ? 
85  1 A LYS 122 0.957 0.175 38.250 pttt    -66.6  -22.2  Favored ? 
86  1 A ASP 123 0.985 0.098 30.810 m-20    -71.8  -48.1  Favored ? 
87  1 A ILE 124 0.940 0.156 31.120 mt      -56.5  -45.0  Favored ? 
88  1 A GLN 125 0.921 0.132 39.900 mt-30   -63.9  -40.9  Favored ? 
89  1 A LEU 126 0.944 0.128 30.630 tp      -65.1  -47.5  Favored ? 
90  1 A ALA 127 0.980 0.110 31.160 ?       -56.4  -44.1  Favored ? 
91  1 A ARG 128 0.954 0.147 38.020 mtp180  -69.1  -33.2  Favored ? 
92  1 A ARG 129 0.891 0.182 45.520 ttt180  -68.8  -44.3  Favored ? 
93  1 A ILE 130 0.965 0.144 30.320 mt      -71.2  -27.6  Favored ? 
94  1 A ARG 131 0.970 0.140 36.110 mtt180  -70.8  -19.9  Favored ? 
95  1 A GLY 132 0.947 0.131 43.970 ?       95.4   5.0    Favored ? 
96  1 A GLU 133 0.934 0.086 48.080 mt-10   -76.3  -13.7  Favored ? 
97  1 A ARG 134 0.776 0.223 62.350 mtp-105 ?      ?      ?       ? 
119 1 B ASN 25  0.865 0.196 58.160 m-20    ?      ?      ?       ? 
120 1 B ILE 26  0.965 0.100 47.850 tp      -61.5  -26.5  Favored ? 
121 1 B GLN 27  0.931 0.163 50.470 mm-40   -73.7  -10.3  Favored ? 
122 1 B GLY 28  0.952 0.108 47.680 ?       -69.8  -18.9  Favored ? 
123 1 B ILE 29  0.963 0.143 40.640 mm      -80.3  99.1   Favored ? 
124 1 B THR 30  0.963 0.128 40.440 p       -80.6  159.5  Favored ? 
125 1 B LYS 31  0.960 0.188 39.320 tttt    -53.6  -44.8  Favored ? 
126 1 B PRO 32  0.968 0.127 36.080 Cg_endo -70.0  -21.2  Favored ? 
127 1 B ALA 33  0.980 0.119 32.760 ?       -69.4  -48.3  Favored ? 
128 1 B ILE 34  0.963 0.155 32.490 mt      -60.6  -41.9  Favored ? 
129 1 B ARG 35  0.872 0.236 40.800 ttm-85  -57.4  -45.3  Favored ? 
130 1 B ARG 36  0.979 0.112 31.540 mtm-85  -60.9  -41.9  Favored ? 
131 1 B LEU 37  0.975 0.116 27.650 mt      -61.4  -45.0  Favored ? 
132 1 B ALA 38  0.985 0.118 28.200 ?       -62.4  -37.9  Favored ? 
133 1 B ARG 39  0.976 0.138 33.340 mmt-85  -59.5  -49.0  Favored ? 
134 1 B ARG 40  0.974 0.134 31.550 ttm180  -60.5  -29.9  Favored ? 
135 1 B GLY 41  0.984 0.134 28.890 ?       -78.5  4.2    Favored ? 
136 1 B GLY 42  0.979 0.116 28.650 ?       87.0   13.2   Favored ? 
137 1 B VAL 43  0.970 0.119 29.700 t       -87.5  129.4  Favored ? 
138 1 B LYS 44  0.974 0.108 34.320 tttt    -92.9  -34.2  Favored ? 
139 1 B ARG 45  0.965 0.131 34.690 ttt-85  -139.2 137.3  Favored ? 
140 1 B ILE 46  0.969 0.162 30.450 mt      -129.1 124.0  Favored ? 
141 1 B SER 47  0.937 0.106 33.410 t       -67.4  143.5  Favored ? 
142 1 B GLY 48  0.970 0.088 35.160 ?       -57.6  -25.8  Favored ? 
143 1 B LEU 49  0.969 0.148 36.940 mt      -78.5  -14.9  Favored ? 
144 1 B ILE 50  0.964 0.106 30.620 mm      -59.8  -39.8  Favored ? 
145 1 B TYR 51  0.970 0.124 33.610 m-85    -58.8  -55.7  Favored ? 
146 1 B GLU 52  0.929 0.192 43.090 mm-40   -56.2  -43.6  Favored ? 
147 1 B GLU 53  0.965 0.111 40.960 tp10    -60.1  -47.0  Favored ? 
148 1 B THR 54  0.966 0.116 31.690 m       -59.0  -37.5  Favored ? 
149 1 B ARG 55  0.952 0.125 37.880 mtt85   -62.1  -47.1  Favored ? 
150 1 B GLY 56  0.975 0.110 34.450 ?       -56.9  -44.5  Favored ? 
151 1 B VAL 57  0.967 0.141 32.580 t       -64.3  -46.3  Favored ? 
152 1 B LEU 58  0.961 0.133 36.530 tp      -63.0  -38.3  Favored ? 
153 1 B LYS 59  0.961 0.159 44.970 tttm    -65.2  -45.8  Favored ? 
154 1 B VAL 60  0.967 0.149 36.110 t       -58.0  -48.4  Favored ? 
155 1 B PHE 61  0.975 0.136 33.430 t80     -54.9  -50.5  Favored ? 
156 1 B LEU 62  0.961 0.140 35.550 mt      -64.2  -42.1  Favored ? 
157 1 B GLU 63  0.908 0.140 43.370 mt-10   -55.8  -51.9  Favored ? 
158 1 B ASN 64  0.936 0.133 40.060 m-20    -59.5  -46.8  Favored ? 
159 1 B VAL 65  0.958 0.164 33.950 t       -66.2  -44.4  Favored ? 
160 1 B ILE 66  0.965 0.146 36.560 mt      -70.8  -31.7  Favored ? 
161 1 B ARG 67  0.889 0.205 48.260 ttm105  -55.4  -53.8  Favored ? 
162 1 B ASP 68  0.963 0.134 36.910 m-20    -66.6  -35.9  Favored ? 
163 1 B ALA 69  0.974 0.139 33.260 ?       -60.5  -42.5  Favored ? 
164 1 B VAL 70  0.948 0.152 38.690 t       -71.9  -35.1  Favored ? 
165 1 B THR 71  0.958 0.161 35.110 m       -57.1  -44.4  Favored ? 
166 1 B TYR 72  0.958 0.158 32.780 m-85    -62.9  -42.8  Favored ? 
167 1 B THR 73  0.978 0.144 36.220 m       -61.0  -39.4  Favored ? 
168 1 B GLU 74  0.958 0.128 45.100 mt-10   -70.1  -36.3  Favored ? 
169 1 B HIS 75  0.968 0.137 34.730 t-80    -67.2  -33.3  Favored ? 
170 1 B ALA 76  0.947 0.106 38.290 ?       -82.0  5.6    Favored ? 
171 1 B LYS 77  0.940 0.223 52.720 mttm    53.9   43.2   Favored ? 
172 1 B ARG 78  0.955 0.120 41.070 mtm105  -114.7 161.2  Favored ? 
173 1 B LYS 79  0.940 0.208 59.790 mttt    -110.9 2.0    Favored ? 
174 1 B THR 80  0.913 0.159 46.820 m       -114.6 118.8  Favored ? 
175 1 B VAL 81  0.975 0.154 37.410 t       -74.5  121.0  Favored ? 
176 1 B THR 82  0.972 0.139 35.400 p       -96.6  167.5  Favored ? 
177 1 B ALA 83  0.982 0.200 32.220 ?       -53.7  -43.8  Favored ? 
178 1 B MET 84  0.968 0.143 36.710 mmm     -63.2  -36.4  Favored ? 
179 1 B ASP 85  0.958 0.158 33.780 m-20    -60.1  -44.1  Favored ? 
180 1 B VAL 86  0.976 0.175 29.860 t       -65.5  -46.3  Favored ? 
181 1 B VAL 87  0.974 0.180 27.850 t       -57.9  -46.4  Favored ? 
182 1 B TYR 88  0.956 0.169 38.050 m-85    -65.2  -39.3  Favored ? 
183 1 B ALA 89  0.978 0.187 31.110 ?       -64.9  -38.1  Favored ? 
184 1 B LEU 90  0.979 0.159 30.180 mt      -71.1  -41.1  Favored ? 
185 1 B LYS 91  0.967 0.176 42.980 tttp    -61.6  -47.2  Favored ? 
186 1 B ARG 92  0.805 0.232 47.820 ptt85   -69.8  -18.4  Favored ? 
187 1 B GLN 93  0.882 0.177 42.720 mt-30   -94.0  17.7   Favored ? 
188 1 B GLY 94  0.982 0.189 36.570 ?       73.6   22.0   Favored ? 
189 1 B ARG 95  0.911 0.169 38.340 mtp85   -127.3 66.2   Allowed ? 
190 1 B THR 96  0.960 0.150 30.650 m       -53.5  129.1  Favored ? 
191 1 B LEU 97  0.972 0.176 27.790 tp      -113.3 125.0  Favored ? 
192 1 B TYR 98  0.977 0.154 26.010 m-30    -98.1  145.4  Favored ? 
193 1 B GLY 99  0.972 0.162 31.990 ?       110.3  -5.5   Favored ? 
194 1 B PHE 100 0.944 0.165 31.930 m-85    -120.1 18.2   Favored ? 
195 1 B GLY 101 0.814 0.272 44.960 ?       125.7  7.2    Favored ? 
208 1 C ARG 11  0.807 0.410 72.760 tpt180  ?      ?      ?       ? 
209 1 C ALA 12  0.796 0.285 66.830 ?       -73.3  141.4  Favored ? 
210 1 C LYS 13  0.885 0.325 66.810 ttmt    -67.1  128.0  Favored ? 
211 1 C ALA 14  0.955 0.150 59.050 ?       -63.3  135.1  Favored ? 
212 1 C LYS 15  0.903 0.231 59.820 mtmm    -110.2 135.1  Favored ? 
213 1 C THR 16  0.963 0.086 42.990 p       -69.2  152.1  Favored ? 
214 1 C ARG 17  0.930 0.147 40.360 mtm180  -63.0  -34.1  Favored ? 
215 1 C SER 18  0.953 0.097 35.750 m       -60.6  -47.1  Favored ? 
216 1 C SER 19  0.966 0.095 40.850 p       -67.8  -38.9  Favored ? 
217 1 C ARG 20  0.878 0.166 48.490 mtt85   -55.7  -32.8  Favored ? 
218 1 C ALA 21  0.973 0.132 35.750 ?       -91.8  -5.1   Favored ? 
219 1 C GLY 22  0.970 0.097 34.730 ?       69.9   39.0   Favored ? 
220 1 C LEU 23  0.955 0.144 33.150 mt      -120.7 152.7  Favored ? 
221 1 C GLN 24  0.957 0.132 36.930 mm-40   -86.1  -38.4  Favored ? 
222 1 C PHE 25  0.975 0.115 33.210 m-85    -68.9  150.9  Favored ? 
223 1 C PRO 26  0.974 0.148 33.660 Cg_endo -88.1  108.9  Allowed ? 
224 1 C VAL 27  0.972 0.144 33.080 t       -67.2  -42.2  Favored ? 
225 1 C GLY 28  0.983 0.127 35.050 ?       -59.8  -44.3  Favored ? 
226 1 C ARG 29  0.970 0.149 33.730 ttm180  -65.3  -42.0  Favored ? 
227 1 C VAL 30  0.982 0.151 33.360 t       -62.9  -41.5  Favored ? 
228 1 C HIS 31  0.948 0.163 38.770 t-160   -60.4  -49.8  Favored ? 
229 1 C ARG 32  0.935 0.202 40.160 ttp180  -58.2  -37.3  Favored ? 
230 1 C LEU 33  0.967 0.161 35.280 mt      -71.1  -36.7  Favored ? 
231 1 C LEU 34  0.975 0.140 33.200 mt      -64.7  -45.3  Favored ? 
232 1 C ARG 35  0.900 0.188 50.200 ttm180  -62.4  -32.5  Favored ? 
233 1 C LYS 36  0.889 0.220 54.460 mmtp    -106.8 2.1    Favored ? 
234 1 C GLY 37  0.968 0.204 39.450 ?       -91.2  7.2    Favored ? 
235 1 C ASN 38  0.885 0.224 46.370 m120    52.2   52.5   Favored ? 
236 1 C TYR 39  0.967 0.141 34.930 m-85    -89.6  -36.6  Favored ? 
237 1 C SER 40  0.980 0.119 35.510 p       -162.1 159.4  Favored ? 
238 1 C GLU 41  0.873 0.210 50.830 tt0     -67.2  -36.8  Favored ? 
239 1 C ARG 42  0.955 0.152 39.120 mtp180  -125.5 148.0  Favored ? 
240 1 C VAL 43  0.971 0.140 35.600 t       -122.8 128.7  Favored ? 
241 1 C GLY 44  0.985 0.107 37.030 ?       -72.3  157.3  Favored ? 
242 1 C ALA 45  0.983 0.102 36.160 ?       -66.5  -34.9  Favored ? 
243 1 C GLY 46  0.980 0.115 30.490 ?       -80.4  -19.7  Favored ? 
244 1 C ALA 47  0.983 0.108 31.130 ?       -59.2  -50.2  Favored ? 
245 1 C PRO 48  0.981 0.176 30.750 Cg_endo -67.6  -25.2  Favored ? 
246 1 C VAL 49  0.975 0.147 30.570 t       -65.0  -51.0  Favored ? 
247 1 C TYR 50  0.971 0.137 29.950 t80     -60.9  -48.3  Favored ? 
248 1 C LEU 51  0.964 0.156 27.930 tp      -60.5  -46.9  Favored ? 
249 1 C ALA 52  0.948 0.155 30.120 ?       -59.9  -43.5  Favored ? 
250 1 C ALA 53  0.980 0.124 29.670 ?       -60.1  -41.4  Favored ? 
251 1 C VAL 54  0.945 0.195 27.750 t       -67.9  -42.1  Favored ? 
252 1 C LEU 55  0.971 0.185 26.650 mt      -62.8  -39.7  Favored ? 
253 1 C GLU 56  0.975 0.137 31.970 tt0     -64.2  -46.2  Favored ? 
254 1 C TYR 57  0.965 0.174 32.430 t80     -58.6  -51.8  Favored ? 
255 1 C LEU 58  0.969 0.170 27.700 mt      -61.3  -37.7  Favored ? 
256 1 C THR 59  0.969 0.124 29.160 m       -60.6  -44.9  Favored ? 
257 1 C ALA 60  0.980 0.127 31.410 ?       -63.7  -40.9  Favored ? 
258 1 C GLU 61  0.951 0.159 40.520 tp10    -58.3  -50.9  Favored ? 
259 1 C ILE 62  0.956 0.141 31.870 mt      -66.8  -38.9  Favored ? 
260 1 C LEU 63  0.970 0.154 31.000 mt      -67.1  -36.8  Favored ? 
261 1 C GLU 64  0.943 0.164 37.090 tp10    -59.1  -52.5  Favored ? 
262 1 C LEU 65  0.954 0.154 33.040 mt      -67.3  -43.5  Favored ? 
263 1 C ALA 66  0.977 0.114 32.800 ?       -62.4  -41.4  Favored ? 
264 1 C GLY 67  0.970 0.114 35.930 ?       -64.1  -41.5  Favored ? 
265 1 C ASN 68  0.961 0.100 37.950 m-20    -58.5  -41.4  Favored ? 
266 1 C ALA 69  0.960 0.105 39.470 ?       -63.3  -41.8  Favored ? 
267 1 C ALA 70  0.939 0.157 39.410 ?       -65.4  -40.7  Favored ? 
268 1 C ARG 71  0.905 0.177 51.170 tpp85   -64.3  -43.1  Favored ? 
269 1 C ASP 72  0.905 0.148 52.540 m-20    -62.4  -25.1  Favored ? 
270 1 C ASN 73  0.888 0.211 53.760 t-20    -97.4  8.7    Favored Y 
271 1 C LYS 74  0.942 0.255 58.670 mttt    48.9   55.9   Favored ? 
272 1 C LYS 75  0.959 0.135 46.430 mmtm    -121.7 137.6  Favored ? 
273 1 C THR 76  0.896 0.209 41.670 p       -84.2  -13.7  Favored ? 
274 1 C ARG 77  0.940 0.175 39.670 ttm180  -108.9 125.2  Favored ? 
275 1 C ILE 78  0.981 0.143 27.000 mt      -68.6  130.7  Favored ? 
276 1 C ILE 79  0.975 0.151 26.900 pt      -125.1 168.1  Favored ? 
277 1 C PRO 80  0.955 0.154 27.660 Cg_exo  -51.4  -36.6  Favored ? 
278 1 C ARG 81  0.986 0.142 27.750 tpt180  -52.3  -45.0  Favored ? 
279 1 C HIS 82  0.986 0.118 30.520 m170    -67.9  -36.2  Favored ? 
280 1 C LEU 83  0.982 0.161 27.570 mt      -62.1  -44.8  Favored ? 
281 1 C GLN 84  0.975 0.167 29.920 tp60    -64.2  -45.7  Favored ? 
282 1 C LEU 85  0.980 0.150 29.940 mt      -54.1  -46.0  Favored ? 
283 1 C ALA 86  0.983 0.136 32.470 ?       -63.8  -40.5  Favored ? 
284 1 C ILE 87  0.980 0.134 30.720 mt      -76.1  -48.8  Favored ? 
285 1 C ARG 88  0.966 0.162 32.890 mmt180  -74.9  -22.5  Favored ? 
286 1 C ASN 89  0.970 0.095 36.130 m-20    -87.6  -10.0  Favored ? 
287 1 C ASP 90  0.951 0.119 40.730 t70     -107.1 114.6  Favored ? 
288 1 C GLU 91  0.846 0.192 56.150 tt0     -60.6  -36.3  Favored ? 
289 1 C GLU 92  0.923 0.129 40.690 mt-10   -76.0  -40.8  Favored ? 
290 1 C LEU 93  0.979 0.162 32.150 mt      -65.4  -41.5  Favored ? 
291 1 C ASN 94  0.974 0.141 37.030 t30     -61.6  -40.6  Favored ? 
292 1 C LYS 95  0.969 0.135 45.040 tptt    -59.1  -52.1  Favored ? 
293 1 C LEU 96  0.984 0.161 30.680 tp      -58.6  -36.8  Favored ? 
294 1 C LEU 97  0.978 0.197 28.880 mt      -109.9 32.1   Favored ? 
295 1 C GLY 98  0.946 0.157 36.140 ?       -59.2  -32.0  Favored ? 
296 1 C ARG 99  0.901 0.210 51.420 mmt180  -104.8 18.3   Favored ? 
297 1 C VAL 100 0.978 0.215 28.830 t       -103.8 133.8  Favored ? 
298 1 C THR 101 0.980 0.175 27.650 m       -98.5  124.3  Favored ? 
299 1 C ILE 102 0.977 0.206 27.610 mm      -97.1  103.8  Favored ? 
300 1 C ALA 103 0.986 0.219 26.820 ?       -56.2  132.1  Favored ? 
301 1 C GLN 104 0.920 0.188 36.090 mm-40   64.5   20.2   Favored ? 
302 1 C GLY 105 0.976 0.170 27.150 ?       -85.3  -26.7  Favored ? 
303 1 C GLY 106 0.989 0.150 27.930 ?       67.5   -163.2 Favored ? 
304 1 C VAL 107 0.982 0.125 28.190 m       -128.2 167.4  Favored ? 
305 1 C LEU 108 0.979 0.123 34.370 mt      -70.6  135.9  Favored ? 
306 1 C PRO 109 0.961 0.142 35.860 Cg_endo -63.0  118.6  Favored ? 
307 1 C ASN 110 0.951 0.132 43.760 t30     -155.1 115.3  Favored ? 
308 1 C ILE 111 0.981 0.140 35.520 mt      -118.5 124.8  Favored ? 
309 1 C GLN 112 0.957 0.108 38.610 mm-40   -59.7  132.7  Favored ? 
310 1 C ALA 113 0.958 0.089 39.360 ?       -50.9  -47.6  Favored ? 
311 1 C VAL 114 0.969 0.124 40.010 t       -54.9  -20.3  Favored ? 
312 1 C LEU 115 0.958 0.131 33.760 mt      -84.3  -18.8  Favored ? 
313 1 C LEU 116 0.951 0.138 41.920 mt      -73.9  149.7  Favored ? 
314 1 C PRO 117 0.939 0.103 47.090 Cg_endo -77.2  156.2  Favored ? 
315 1 C LYS 118 0.670 0.577 70.250 mtmt    ?      ?      ?       ? 
340 1 D ARG 33  0.906 0.146 54.340 ptm180  -90.2  150.7  Favored ? 
341 1 D LYS 34  0.950 0.213 55.900 mttt    -117.8 134.8  Favored ? 
342 1 D GLU 35  0.927 0.169 40.210 mt-10   -95.1  147.9  Favored ? 
343 1 D SER 36  0.966 0.138 30.780 p       -153.4 173.3  Favored ? 
344 1 D TYR 37  0.957 0.139 32.000 m-85    -90.2  9.2    Favored ? 
345 1 D SER 38  0.979 0.112 29.410 m       -54.5  -52.1  Favored ? 
346 1 D ILE 39  0.980 0.158 33.340 pt      -62.6  -34.1  Favored ? 
347 1 D TYR 40  0.964 0.131 31.540 m-85    -72.6  -41.2  Favored ? 
348 1 D VAL 41  0.982 0.143 28.030 t       -60.6  -41.8  Favored ? 
349 1 D TYR 42  0.972 0.126 33.250 t80     -65.5  -42.4  Favored ? 
350 1 D LYS 43  0.971 0.142 35.660 mttt    -59.2  -47.7  Favored ? 
351 1 D VAL 44  0.950 0.186 28.150 t       -61.7  -42.5  Favored ? 
352 1 D LEU 45  0.979 0.130 30.030 tp      -54.1  -51.3  Favored ? 
353 1 D LYS 46  0.965 0.145 34.960 mmpt?   -60.1  -32.1  Favored ? 
354 1 D GLN 47  0.952 0.129 35.350 mt-30   -65.6  -52.0  Favored ? 
355 1 D VAL 48  0.948 0.141 32.840 m       -78.0  -34.6  Favored ? 
356 1 D HIS 49  0.977 0.129 34.510 m-70    -137.1 88.7   Favored ? 
357 1 D PRO 50  0.962 0.142 34.210 Cg_exo  -58.7  -33.9  Favored ? 
358 1 D ASP 51  0.943 0.104 43.460 m-20    -97.2  8.1    Favored ? 
359 1 D THR 52  0.974 0.116 35.830 m       -97.9  137.8  Favored ? 
360 1 D GLY 53  0.979 0.108 31.740 ?       -104.3 -164.9 Favored ? 
361 1 D ILE 54  0.974 0.173 27.760 tt      -157.8 137.8  Favored ? 
362 1 D SER 55  0.973 0.135 29.890 p       -75.8  160.2  Favored ? 
363 1 D SER 56  0.976 0.142 32.790 p       -59.2  -42.8  Favored ? 
364 1 D LYS 57  0.958 0.182 40.240 mttm    -66.7  -34.3  Favored ? 
365 1 D ALA 58  0.967 0.160 27.920 ?       -68.7  -33.1  Favored ? 
366 1 D MET 59  0.981 0.111 28.320 tpp     -68.0  -34.7  Favored ? 
367 1 D GLY 60  0.977 0.153 28.080 ?       -62.9  -42.1  Favored ? 
368 1 D ILE 61  0.968 0.198 28.840 mt      -65.2  -40.8  Favored ? 
369 1 D MET 62  0.989 0.160 27.030 mmm     -61.8  -39.6  Favored ? 
370 1 D ASN 63  0.974 0.166 29.620 m-20    -63.0  -45.3  Favored ? 
371 1 D SER 64  0.982 0.172 27.610 m       -55.8  -43.4  Favored ? 
372 1 D PHE 65  0.973 0.152 28.520 t80     -60.1  -51.8  Favored ? 
373 1 D VAL 66  0.988 0.189 25.130 t       -58.9  -43.8  Favored ? 
374 1 D ASN 67  0.972 0.188 27.690 m-80    -65.4  -39.7  Favored ? 
375 1 D ASP 68  0.972 0.181 27.840 t0      -59.4  -58.3  Favored ? 
376 1 D ILE 69  0.984 0.171 27.120 mm      -60.7  -36.5  Favored ? 
377 1 D PHE 70  0.972 0.191 30.210 t80     -55.7  -53.1  Favored ? 
378 1 D GLU 71  0.908 0.267 38.500 tp10    -63.6  -39.9  Favored ? 
379 1 D ARG 72  0.965 0.203 27.660 mtt180  -61.6  -46.9  Favored ? 
380 1 D ILE 73  0.986 0.188 26.940 mt      -67.1  -45.7  Favored ? 
381 1 D ALA 74  0.983 0.211 28.960 ?       -66.6  -42.9  Favored ? 
382 1 D SER 75  0.970 0.208 30.800 p       -73.4  -34.9  Favored ? 
383 1 D GLU 76  0.975 0.211 34.660 tp10    -62.0  -42.4  Favored ? 
384 1 D ALA 77  0.983 0.165 30.450 ?       -61.0  -42.6  Favored ? 
385 1 D SER 78  0.969 0.193 29.870 t       -57.5  -45.4  Favored ? 
386 1 D ARG 79  0.937 0.199 35.190 mtm105  -62.5  -43.4  Favored ? 
387 1 D LEU 80  0.978 0.165 32.830 mt      -58.2  -48.1  Favored ? 
388 1 D ALA 81  0.981 0.162 34.490 ?       -60.5  -46.4  Favored ? 
389 1 D HIS 82  0.942 0.148 44.790 t60     -60.4  -48.1  Favored ? 
390 1 D TYR 83  0.906 0.166 46.670 m-30    -54.7  -35.6  Favored ? 
391 1 D ASN 84  0.931 0.135 41.930 m120    -100.3 14.1   Favored ? 
392 1 D LYS 85  0.960 0.105 47.640 mttm    56.7   41.6   Favored ? 
393 1 D ARG 86  0.941 0.156 55.290 mmt180  -109.7 150.6  Favored ? 
394 1 D SER 87  0.974 0.156 41.600 p       -103.7 1.8    Favored ? 
395 1 D THR 88  0.972 0.115 34.600 m       -115.0 128.2  Favored ? 
396 1 D ILE 89  0.980 0.174 32.070 mt      -87.9  118.5  Favored ? 
397 1 D THR 90  0.976 0.117 32.120 p       -114.5 173.6  Favored ? 
398 1 D SER 91  0.969 0.117 33.870 p       -58.7  -19.8  Favored ? 
399 1 D ARG 92  0.913 0.172 40.410 ttt-85  -70.2  -41.9  Favored ? 
400 1 D GLU 93  0.963 0.161 32.800 mp0     -64.8  -40.1  Favored ? 
401 1 D VAL 94  0.978 0.151 29.670 t       -65.6  -40.9  Favored ? 
402 1 D GLN 95  0.981 0.120 31.790 tt0     -64.0  -51.9  Favored ? 
403 1 D THR 96  0.988 0.132 27.450 m       -55.0  -47.1  Favored ? 
404 1 D ALA 97  0.983 0.129 29.240 ?       -57.1  -43.7  Favored ? 
405 1 D VAL 98  0.978 0.115 31.880 t       -61.7  -40.6  Favored ? 
406 1 D ARG 99  0.950 0.131 37.220 mtp180  -67.0  -28.8  Favored ? 
407 1 D LEU 100 0.977 0.177 30.050 mt      -79.3  -34.8  Favored ? 
408 1 D LEU 101 0.957 0.168 34.900 mt      -90.1  -32.8  Favored ? 
409 1 D LEU 102 0.937 0.174 36.430 mt      -100.0 137.1  Favored ? 
410 1 D PRO 103 0.978 0.091 39.460 Cg_endo -70.8  143.1  Favored ? 
411 1 D GLY 104 0.946 0.110 40.380 ?       44.5   -125.9 Favored ? 
412 1 D GLU 105 0.847 0.272 49.000 mm-40   -62.9  -33.6  Favored ? 
413 1 D LEU 106 0.979 0.175 36.710 tp      -58.4  -42.6  Favored ? 
414 1 D ALA 107 0.968 0.148 35.140 ?       -66.0  -43.5  Favored ? 
415 1 D LYS 108 0.955 0.196 47.180 mttp    -62.1  -43.2  Favored ? 
416 1 D HIS 109 0.981 0.142 39.780 m-70    -70.3  -39.8  Favored ? 
417 1 D ALA 110 0.984 0.129 34.370 ?       -59.5  -43.9  Favored ? 
418 1 D VAL 111 0.969 0.121 34.550 t       -61.6  -42.7  Favored ? 
419 1 D SER 112 0.979 0.128 36.380 m       -59.3  -48.6  Favored ? 
420 1 D GLU 113 0.956 0.135 40.570 mm-40   -60.8  -47.0  Favored ? 
421 1 D GLY 114 0.987 0.112 34.740 ?       -58.0  -49.9  Favored ? 
422 1 D THR 115 0.965 0.156 35.570 m       -61.0  -49.2  Favored ? 
423 1 D LYS 116 0.948 0.159 44.180 ttpt    -57.2  -43.8  Favored ? 
424 1 D ALA 117 0.975 0.147 33.290 ?       -66.5  -40.6  Favored ? 
425 1 D VAL 118 0.956 0.132 34.070 t       -67.5  -40.6  Favored ? 
426 1 D THR 119 0.952 0.136 40.860 p       -66.4  -44.6  Favored ? 
427 1 D LYS 120 0.934 0.207 45.210 tttp    -60.9  -41.8  Favored ? 
428 1 D TYR 121 0.963 0.115 40.380 t80     -60.8  -46.4  Favored ? 
429 1 D THR 122 0.911 0.137 46.520 p       -65.9  -31.4  Favored ? 
430 1 D SER 123 0.913 0.102 53.940 p       -55.9  -26.8  Favored ? 
431 1 D SER 124 0.866 0.161 59.580 m       ?      ?      ?       ? 
449 1 E PRO 38  0.878 0.117 45.430 Cg_exo  ?      ?      ?       ? 
450 1 E HIS 39  0.957 0.133 48.560 t60     -73.6  141.5  Favored ? 
451 1 E ARG 40  0.954 0.155 43.350 mtt-85  -146.8 122.3  Favored ? 
452 1 E TYR 41  0.980 0.115 36.850 m-85    -74.6  149.1  Favored ? 
453 1 E HIS 42  0.936 0.107 42.440 m-70    -71.4  151.0  Favored ? 
454 1 E PRO 43  0.961 0.106 33.900 Cg_endo -58.8  129.7  Favored ? 
455 1 E GLY 44  0.990 0.107 31.750 ?       107.0  -26.0  Favored ? 
456 1 E THR 45  0.977 0.114 28.780 m       -69.5  -44.9  Favored ? 
457 1 E VAL 46  0.979 0.130 30.420 t       -73.8  -37.1  Favored ? 
458 1 E ALA 47  0.967 0.113 29.010 ?       -54.1  -48.2  Favored ? 
459 1 E LEU 48  0.967 0.161 33.700 mt      -61.8  -43.2  Favored ? 
460 1 E ARG 49  0.948 0.179 40.120 ttp180  -57.3  -41.6  Favored ? 
461 1 E GLU 50  0.962 0.113 32.020 mt-10   -67.6  -35.7  Favored ? 
462 1 E ILE 51  0.970 0.129 27.980 mt      -60.5  -47.5  Favored ? 
463 1 E ARG 52  0.965 0.138 40.270 mtm-85  -61.0  -43.4  Favored ? 
464 1 E ARG 53  0.951 0.137 35.870 ttt180  -57.9  -56.2  Favored ? 
465 1 E TYR 54  0.970 0.144 28.230 m-85    -76.8  -19.5  Favored ? 
466 1 E GLN 55  0.971 0.144 29.770 mt-30   -77.4  -25.2  Favored ? 
467 1 E LYS 56  0.934 0.246 44.350 ttmt    -79.5  -27.7  Favored ? 
468 1 E SER 57  0.970 0.142 30.380 p       -100.5 166.1  Favored ? 
469 1 E THR 58  0.976 0.174 29.750 p       -120.5 -0.4   Favored ? 
470 1 E GLU 59  0.955 0.128 35.240 pm0     -69.3  151.7  Favored ? 
471 1 E LEU 60  0.978 0.174 31.190 mt      -62.3  140.1  Favored ? 
472 1 E LEU 61  0.977 0.152 26.750 mt      -104.2 -15.3  Favored ? 
473 1 E ILE 62  0.978 0.182 24.870 mt      -93.2  140.2  Favored ? 
474 1 E ARG 63  0.932 0.150 33.340 mtm180  -63.7  137.8  Favored ? 
475 1 E LYS 64  0.946 0.182 36.390 mmtp    -63.1  -53.4  Favored ? 
476 1 E LEU 65  0.964 0.159 29.300 tp      -63.7  -45.9  Favored ? 
477 1 E PRO 66  0.953 0.147 28.390 Cg_exo  -59.4  -40.7  Favored ? 
478 1 E PHE 67  0.961 0.155 25.890 t80     -59.8  -45.5  Favored ? 
479 1 E GLN 68  0.946 0.171 35.550 tt0     -59.2  -43.7  Favored ? 
480 1 E ARG 69  0.957 0.155 30.520 mtm-85  -60.6  -42.8  Favored ? 
481 1 E LEU 70  0.976 0.129 25.320 tp      -56.7  -51.9  Favored ? 
482 1 E VAL 71  0.978 0.165 23.520 t       -54.7  -48.3  Favored ? 
483 1 E ARG 72  0.955 0.161 36.020 mtt-85  -64.4  -40.0  Favored ? 
484 1 E GLU 73  0.962 0.121 30.200 tt0     -59.6  -50.9  Favored ? 
485 1 E ILE 74  0.968 0.136 27.580 mt      -63.5  -45.5  Favored ? 
486 1 E ALA 75  0.969 0.108 30.550 ?       -67.2  -39.3  Favored ? 
487 1 E GLN 76  0.898 0.171 40.770 mt-30   -57.2  -35.3  Favored ? 
488 1 E ASP 77  0.975 0.103 34.780 m-20    -65.9  -25.6  Favored ? 
489 1 E PHE 78  0.980 0.115 32.770 m-85    -83.3  -44.5  Favored ? 
490 1 E LYS 79  0.939 0.180 42.120 tptp    -150.0 139.8  Favored ? 
491 1 E THR 80  0.952 0.171 43.580 p       -94.8  159.1  Favored ? 
492 1 E ASP 81  0.912 0.171 49.280 m-20    57.0   32.7   Favored ? 
493 1 E LEU 82  0.962 0.123 39.470 mt      -79.9  145.5  Favored ? 
494 1 E ARG 83  0.919 0.189 46.420 mtt180  -103.7 170.3  Favored ? 
495 1 E PHE 84  0.973 0.134 32.320 m-85    -132.4 132.5  Favored ? 
496 1 E GLN 85  0.949 0.166 36.590 mt-30   -60.2  143.4  Favored ? 
497 1 E SER 86  0.945 0.130 35.290 t       -59.5  -41.8  Favored ? 
498 1 E SER 87  0.982 0.163 30.660 p       -66.3  -23.4  Favored ? 
499 1 E ALA 88  0.977 0.168 27.460 ?       -67.8  -41.5  Favored ? 
500 1 E VAL 89  0.982 0.146 28.150 t       -63.1  -42.8  Favored ? 
501 1 E MET 90  0.973 0.153 31.310 mmm     -64.8  -34.9  Favored ? 
502 1 E ALA 91  0.979 0.187 25.170 ?       -63.4  -45.1  Favored ? 
503 1 E LEU 92  0.979 0.170 25.310 mt      -58.6  -39.5  Favored ? 
504 1 E GLN 93  0.975 0.172 25.250 tt0     -72.8  -40.1  Favored ? 
505 1 E GLU 94  0.966 0.166 27.150 mm-40   -57.1  -49.5  Favored ? 
506 1 E ALA 95  0.969 0.128 21.290 ?       -60.1  -47.3  Favored ? 
507 1 E CYS 96  0.963 0.126 25.860 m       -63.3  -44.7  Favored ? 
508 1 E GLU 97  0.968 0.166 26.990 mt-10   -70.3  -38.0  Favored ? 
509 1 E SER 98  0.979 0.154 26.010 t       -59.0  -50.1  Favored ? 
510 1 E TYR 99  0.970 0.166 27.200 t80     -55.6  -48.9  Favored ? 
511 1 E LEU 100 0.974 0.172 22.300 mt      -66.0  -45.7  Favored ? 
512 1 E VAL 101 0.983 0.179 24.390 t       -56.3  -49.8  Favored ? 
513 1 E GLY 102 0.992 0.190 24.090 ?       -56.4  -41.9  Favored ? 
514 1 E LEU 103 0.964 0.161 26.090 tp      -61.4  -39.6  Favored ? 
515 1 E PHE 104 0.980 0.144 23.480 m-85    -70.6  -33.1  Favored ? 
516 1 E GLU 105 0.949 0.142 32.010 mt-10   -58.1  -53.3  Favored ? 
517 1 E ASP 106 0.978 0.119 27.200 m-20    -61.0  -42.9  Favored ? 
518 1 E THR 107 0.977 0.141 26.390 m       -58.8  -41.6  Favored ? 
519 1 E ASN 108 0.976 0.155 25.720 t30     -62.7  -46.4  Favored ? 
520 1 E LEU 109 0.981 0.125 28.480 mt      -57.4  -39.0  Favored ? 
521 1 E CYS 110 0.985 0.084 26.720 m       -65.2  -45.5  Favored ? 
522 1 E ALA 111 0.983 0.118 27.810 ?       -56.2  -48.2  Favored ? 
523 1 E ILE 112 0.961 0.130 29.580 mt      -63.8  -34.7  Favored ? 
524 1 E HIS 113 0.970 0.106 30.720 t60     -62.0  -34.2  Favored ? 
525 1 E ALA 114 0.966 0.099 29.800 ?       -86.9  16.8   Favored ? 
526 1 E LYS 115 0.943 0.203 38.920 mmtp    63.9   29.1   Favored ? 
527 1 E ARG 116 0.968 0.115 32.060 mtm105  -115.0 159.5  Favored ? 
528 1 E VAL 117 0.950 0.151 31.180 t       -113.2 -5.4   Favored ? 
529 1 E THR 118 0.982 0.123 28.730 m       -108.7 121.4  Favored ? 
530 1 E ILE 119 0.963 0.134 24.910 pt      -79.7  141.2  Favored ? 
531 1 E MET 120 0.974 0.120 30.420 mtt     -133.1 163.3  Favored ? 
532 1 E PRO 121 0.976 0.131 31.490 Cg_exo  -51.5  -39.4  Favored ? 
533 1 E LYS 122 0.917 0.182 37.480 pttp    -65.6  -21.7  Favored ? 
534 1 E ASP 123 0.977 0.106 29.300 m-20    -71.8  -48.9  Favored ? 
535 1 E ILE 124 0.957 0.165 29.870 mt      -55.8  -46.2  Favored ? 
536 1 E GLN 125 0.962 0.115 34.710 mt-30   -64.2  -41.0  Favored ? 
537 1 E LEU 126 0.966 0.135 27.630 tp      -63.9  -48.7  Favored ? 
538 1 E ALA 127 0.974 0.124 28.560 ?       -55.7  -44.0  Favored ? 
539 1 E ARG 128 0.970 0.137 34.870 mtm180  -70.6  -31.8  Favored ? 
540 1 E ARG 129 0.901 0.149 41.470 ttt180  -66.6  -43.3  Favored ? 
541 1 E ILE 130 0.966 0.112 30.140 mt      -75.1  -25.2  Favored ? 
542 1 E ARG 131 0.957 0.144 33.780 mtt180  -70.0  -17.7  Favored ? 
543 1 E GLY 132 0.944 0.163 39.070 ?       94.9   3.3    Favored ? 
544 1 E GLU 133 0.939 0.132 43.160 mt-10   -78.4  -19.4  Favored ? 
545 1 E ARG 134 0.789 0.241 65.780 mtt180  ?      ?      ?       ? 
577 1 F ARG 19  0.672 0.234 68.020 mmt180  ?      ?      ?       ? 
578 1 F LYS 20  0.879 0.256 55.450 pttt    -123.6 127.5  Favored ? 
579 1 F VAL 21  0.972 0.145 42.870 t       -74.6  122.7  Favored ? 
580 1 F LEU 22  0.985 0.154 35.480 mt      -80.8  119.8  Favored ? 
581 1 F ARG 23  0.916 0.146 39.080 mtp180  -139.0 148.4  Favored ? 
582 1 F ASP 24  0.933 0.126 40.820 t0      46.6   35.3   Favored ? 
583 1 F ASN 25  0.962 0.137 31.990 m-80    -75.2  -9.5   Favored ? 
584 1 F ILE 26  0.987 0.134 29.360 tp      -61.5  -26.1  Favored ? 
585 1 F GLN 27  0.943 0.129 38.740 mm-40   -74.7  -10.4  Favored ? 
586 1 F GLY 28  0.950 0.128 35.880 ?       -73.8  -19.4  Favored ? 
587 1 F ILE 29  0.966 0.154 30.770 mm      -76.9  99.0   Favored ? 
588 1 F THR 30  0.969 0.165 28.550 p       -79.9  159.4  Favored ? 
589 1 F LYS 31  0.952 0.213 32.510 tttt    -53.7  -44.4  Favored ? 
590 1 F PRO 32  0.975 0.149 27.340 Cg_endo -70.9  -23.5  Favored ? 
591 1 F ALA 33  0.987 0.179 25.770 ?       -68.5  -45.8  Favored ? 
592 1 F ILE 34  0.954 0.182 23.760 mt      -62.5  -41.3  Favored ? 
593 1 F ARG 35  0.937 0.166 33.180 ttp85   -59.5  -46.6  Favored ? 
594 1 F ARG 36  0.971 0.170 25.590 mtm-85  -57.2  -43.1  Favored ? 
595 1 F LEU 37  0.982 0.164 24.360 mt      -60.5  -45.9  Favored ? 
596 1 F ALA 38  0.979 0.181 21.500 ?       -63.7  -36.2  Favored ? 
597 1 F ARG 39  0.981 0.149 25.420 mmt-85  -57.9  -50.8  Favored ? 
598 1 F ARG 40  0.978 0.178 25.860 ttm180  -60.7  -27.4  Favored ? 
599 1 F GLY 41  0.976 0.148 26.400 ?       -80.7  5.2    Favored ? 
600 1 F GLY 42  0.975 0.135 25.770 ?       84.2   12.3   Favored ? 
601 1 F VAL 43  0.969 0.141 24.380 t       -87.5  129.2  Favored ? 
602 1 F LYS 44  0.976 0.100 28.640 tttt    -96.4  -31.8  Favored ? 
603 1 F ARG 45  0.982 0.117 29.640 ttt-85  -142.3 137.5  Favored ? 
604 1 F ILE 46  0.975 0.128 26.180 mt      -129.9 123.0  Favored ? 
605 1 F SER 47  0.969 0.126 29.590 t       -65.5  146.0  Favored ? 
606 1 F GLY 48  0.965 0.110 28.280 ?       -59.8  -24.8  Favored ? 
607 1 F LEU 49  0.973 0.113 32.390 mt      -78.6  -12.3  Favored ? 
608 1 F ILE 50  0.963 0.138 26.420 mm      -61.2  -40.3  Favored ? 
609 1 F TYR 51  0.976 0.138 26.340 m-85    -58.7  -54.6  Favored ? 
610 1 F GLU 52  0.952 0.131 35.000 mm-40   -58.8  -42.5  Favored ? 
611 1 F GLU 53  0.943 0.133 38.620 tp10    -57.8  -47.9  Favored ? 
612 1 F THR 54  0.968 0.136 24.180 m       -62.1  -36.9  Favored ? 
613 1 F ARG 55  0.960 0.138 27.870 mtt85   -62.5  -45.9  Favored ? 
614 1 F GLY 56  0.954 0.113 26.510 ?       -56.3  -45.2  Favored ? 
615 1 F VAL 57  0.955 0.147 26.510 t       -65.0  -45.7  Favored ? 
616 1 F LEU 58  0.973 0.169 25.880 tp      -63.3  -38.3  Favored ? 
617 1 F LYS 59  0.941 0.154 34.740 tttm    -64.1  -46.1  Favored ? 
618 1 F VAL 60  0.967 0.185 29.490 t       -58.9  -48.6  Favored ? 
619 1 F PHE 61  0.960 0.156 28.730 t80     -57.0  -49.3  Favored ? 
620 1 F LEU 62  0.969 0.178 29.010 mt      -64.4  -40.6  Favored ? 
621 1 F GLU 63  0.946 0.130 36.110 mt-10   -56.4  -51.8  Favored ? 
622 1 F ASN 64  0.969 0.179 29.530 m-20    -60.9  -44.0  Favored ? 
623 1 F VAL 65  0.982 0.199 26.080 t       -67.7  -41.7  Favored ? 
624 1 F ILE 66  0.970 0.177 23.810 mt      -72.5  -33.4  Favored ? 
625 1 F ARG 67  0.941 0.158 33.270 ttm105  -57.4  -52.2  Favored ? 
626 1 F ASP 68  0.958 0.166 30.920 m-20    -67.9  -36.2  Favored ? 
627 1 F ALA 69  0.976 0.196 25.880 ?       -61.0  -43.4  Favored ? 
628 1 F VAL 70  0.982 0.119 28.800 t       -71.9  -33.8  Favored ? 
629 1 F THR 71  0.977 0.201 27.780 m       -55.7  -45.9  Favored ? 
630 1 F TYR 72  0.974 0.166 30.010 m-85    -62.0  -43.2  Favored ? 
631 1 F THR 73  0.967 0.180 30.250 m       -61.3  -39.1  Favored ? 
632 1 F GLU 74  0.954 0.122 37.210 mt-10   -70.8  -35.2  Favored ? 
633 1 F HIS 75  0.963 0.146 34.210 t-80    -67.9  -33.8  Favored ? 
634 1 F ALA 76  0.982 0.161 33.360 ?       -81.8  6.4    Favored ? 
635 1 F LYS 77  0.915 0.226 49.410 mttp    53.7   44.3   Favored ? 
636 1 F ARG 78  0.963 0.134 36.370 mtm105  -115.1 162.6  Favored ? 
637 1 F LYS 79  0.952 0.151 51.300 mttt    -111.0 0.8    Favored ? 
638 1 F THR 80  0.969 0.135 36.690 m       -118.4 120.8  Favored ? 
639 1 F VAL 81  0.985 0.169 29.660 t       -74.0  122.7  Favored ? 
640 1 F THR 82  0.972 0.143 29.950 p       -96.1  166.3  Favored ? 
641 1 F ALA 83  0.985 0.174 28.500 ?       -54.4  -44.2  Favored ? 
642 1 F MET 84  0.955 0.162 35.270 mmm     -62.4  -34.2  Favored ? 
643 1 F ASP 85  0.949 0.135 29.810 m-20    -59.5  -43.5  Favored ? 
644 1 F VAL 86  0.974 0.191 25.090 t       -65.5  -46.2  Favored ? 
645 1 F VAL 87  0.970 0.256 27.510 t       -58.2  -43.2  Favored ? 
646 1 F TYR 88  0.911 0.214 37.440 m-30    -66.3  -40.3  Favored ? 
647 1 F ALA 89  0.981 0.166 29.940 ?       -62.9  -40.1  Favored ? 
648 1 F LEU 90  0.974 0.201 27.760 mt      -68.7  -40.0  Favored ? 
649 1 F LYS 91  0.950 0.201 43.220 tppp?   -60.1  -47.7  Favored ? 
650 1 F ARG 92  0.869 0.226 49.390 OUTLIER -63.7  -24.3  Favored ? 
651 1 F GLN 93  0.889 0.209 40.260 mt-30   -98.2  16.9   Favored ? 
652 1 F GLY 94  0.976 0.179 36.740 ?       74.7   22.2   Favored ? 
653 1 F ARG 95  0.904 0.181 36.130 mtp-105 -127.5 67.2   Allowed ? 
654 1 F THR 96  0.977 0.226 29.860 m       -53.9  127.4  Favored ? 
655 1 F LEU 97  0.987 0.217 25.750 tp      -113.6 126.8  Favored ? 
656 1 F TYR 98  0.967 0.180 26.600 m-30    -101.1 148.3  Favored ? 
657 1 F GLY 99  0.983 0.176 27.570 ?       112.2  -4.6   Favored ? 
658 1 F PHE 100 0.965 0.138 30.200 m-85    -122.8 20.1   Favored ? 
659 1 F GLY 101 0.944 0.126 44.010 ?       -81.0  5.8    Favored ? 
682 1 G LYS 15  0.776 0.291 62.420 mttt    ?      ?      ?       ? 
683 1 G THR 16  0.928 0.094 48.380 p       -67.8  152.2  Favored ? 
684 1 G ARG 17  0.904 0.152 45.770 mtm180  -61.8  -32.7  Favored ? 
685 1 G SER 18  0.942 0.091 45.270 m       -60.5  -45.5  Favored ? 
686 1 G SER 19  0.966 0.134 49.200 p       -66.6  -40.9  Favored ? 
687 1 G ARG 20  0.906 0.228 59.790 mtt180  -54.6  -31.7  Favored ? 
688 1 G ALA 21  0.967 0.156 47.820 ?       -93.6  -5.3   Favored ? 
689 1 G GLY 22  0.953 0.124 47.460 ?       68.5   38.9   Favored ? 
690 1 G LEU 23  0.973 0.141 39.590 mt      -121.6 151.3  Favored ? 
691 1 G GLN 24  0.955 0.129 43.320 mm-40   -87.0  -36.7  Favored ? 
692 1 G PHE 25  0.968 0.099 34.830 m-85    -66.9  149.8  Favored ? 
693 1 G PRO 26  0.977 0.123 35.080 Cg_endo -85.5  110.4  Allowed ? 
694 1 G VAL 27  0.983 0.138 33.010 t       -67.0  -42.8  Favored ? 
695 1 G GLY 28  0.981 0.124 32.740 ?       -59.6  -44.9  Favored ? 
696 1 G ARG 29  0.983 0.111 36.180 ttm180  -64.1  -41.1  Favored ? 
697 1 G VAL 30  0.986 0.132 29.270 t       -62.9  -41.2  Favored ? 
698 1 G HIS 31  0.962 0.117 37.720 t-160   -60.7  -51.2  Favored ? 
699 1 G ARG 32  0.968 0.130 38.750 tmm_?   -58.7  -36.6  Favored ? 
700 1 G LEU 33  0.981 0.143 32.410 mt      -70.2  -35.0  Favored ? 
701 1 G LEU 34  0.965 0.149 30.310 mt      -65.2  -47.5  Favored ? 
702 1 G ARG 35  0.796 0.299 51.510 mtm105  -63.7  -28.0  Favored ? 
703 1 G LYS 36  0.908 0.232 46.380 mttt    -103.8 -3.3   Favored ? 
704 1 G GLY 37  0.941 0.173 38.520 ?       -89.1  6.2    Favored ? 
705 1 G ASN 38  0.861 0.149 42.560 m120    58.0   51.5   Favored ? 
706 1 G TYR 39  0.953 0.154 34.540 m-85    -100.9 -40.3  Favored ? 
707 1 G SER 40  0.970 0.104 38.060 p       -164.9 159.9  Favored ? 
708 1 G GLU 41  0.921 0.217 49.650 tt0     -63.7  -37.9  Favored ? 
709 1 G ARG 42  0.920 0.174 38.800 mtt180  -126.9 149.4  Favored ? 
710 1 G VAL 43  0.985 0.136 32.530 t       -124.5 126.2  Favored ? 
711 1 G GLY 44  0.962 0.114 33.690 ?       -76.3  159.0  Favored ? 
712 1 G ALA 45  0.956 0.093 34.410 ?       -66.0  -33.8  Favored ? 
713 1 G GLY 46  0.985 0.094 33.200 ?       -79.4  -20.6  Favored ? 
714 1 G ALA 47  0.977 0.131 31.110 ?       -60.3  -51.3  Favored ? 
715 1 G PRO 48  0.982 0.113 29.830 Cg_endo -68.5  -24.4  Favored ? 
716 1 G VAL 49  0.985 0.147 32.080 t       -64.6  -50.7  Favored ? 
717 1 G TYR 50  0.972 0.125 34.890 t80     -60.4  -50.9  Favored ? 
718 1 G LEU 51  0.981 0.121 29.270 tp      -59.2  -45.6  Favored ? 
719 1 G ALA 52  0.969 0.090 31.260 ?       -60.0  -41.5  Favored ? 
720 1 G ALA 53  0.968 0.120 32.820 ?       -59.9  -42.9  Favored ? 
721 1 G VAL 54  0.979 0.137 30.970 t       -68.5  -42.8  Favored ? 
722 1 G LEU 55  0.976 0.132 29.670 mt      -62.5  -40.3  Favored ? 
723 1 G GLU 56  0.905 0.130 36.340 tt0     -64.1  -45.6  Favored ? 
724 1 G TYR 57  0.955 0.114 39.520 t80     -58.6  -53.1  Favored ? 
725 1 G LEU 58  0.974 0.129 32.860 mt      -59.0  -38.4  Favored ? 
726 1 G THR 59  0.964 0.112 32.590 m       -61.3  -45.1  Favored ? 
727 1 G ALA 60  0.976 0.098 39.160 ?       -66.1  -38.1  Favored ? 
728 1 G GLU 61  0.898 0.169 48.460 tp10    -58.7  -52.5  Favored ? 
729 1 G ILE 62  0.971 0.132 38.450 mt      -65.2  -41.3  Favored ? 
730 1 G LEU 63  0.968 0.113 37.580 mt      -67.0  -34.5  Favored ? 
731 1 G GLU 64  0.907 0.181 47.730 tp10    -59.9  -53.6  Favored ? 
732 1 G LEU 65  0.946 0.165 40.770 mt      -66.3  -43.3  Favored ? 
733 1 G ALA 66  0.976 0.149 40.140 ?       -60.7  -40.4  Favored ? 
734 1 G GLY 67  0.975 0.079 45.270 ?       -63.4  -41.3  Favored ? 
735 1 G ASN 68  0.959 0.110 46.160 m-20    -56.9  -45.9  Favored ? 
736 1 G ALA 69  0.944 0.144 48.060 ?       -63.0  -38.0  Favored ? 
737 1 G ALA 70  0.899 0.125 50.460 ?       -66.8  -38.8  Favored ? 
738 1 G ARG 71  0.897 0.348 69.870 ttm180  -63.7  -43.3  Favored ? 
739 1 G ASP 72  0.900 0.121 55.400 m-20    -65.0  -23.8  Favored ? 
740 1 G ASN 73  0.873 0.174 61.760 t30     -96.1  5.4    Favored Y 
741 1 G LYS 74  0.853 0.495 70.880 ttpt    46.6   54.4   Favored ? 
742 1 G LYS 75  0.916 0.192 57.930 mptm?   -117.9 139.7  Favored ? 
743 1 G THR 76  0.935 0.139 55.130 p       -81.5  -15.1  Favored ? 
744 1 G ARG 77  0.905 0.112 45.800 ttp180  -114.3 125.5  Favored ? 
745 1 G ILE 78  0.948 0.169 37.850 mt      -68.3  133.5  Favored ? 
746 1 G ILE 79  0.974 0.125 35.340 pt      -122.6 169.6  Favored ? 
747 1 G PRO 80  0.974 0.125 31.850 Cg_exo  -50.5  -40.1  Favored ? 
748 1 G ARG 81  0.972 0.125 33.650 tpt180  -51.3  -45.2  Favored ? 
749 1 G HIS 82  0.967 0.137 37.560 m170    -66.7  -35.4  Favored ? 
750 1 G LEU 83  0.976 0.111 30.440 mt      -64.8  -43.3  Favored ? 
751 1 G GLN 84  0.953 0.139 35.860 tp60    -64.7  -45.8  Favored ? 
752 1 G LEU 85  0.973 0.130 35.600 mt      -57.6  -44.2  Favored ? 
753 1 G ALA 86  0.962 0.151 39.850 ?       -63.5  -40.0  Favored ? 
754 1 G ILE 87  0.957 0.127 35.540 mt      -76.6  -46.9  Favored ? 
755 1 G ARG 88  0.964 0.108 35.650 mmt180  -75.0  -24.3  Favored ? 
756 1 G ASN 89  0.978 0.097 37.710 m-20    -84.8  -3.7   Favored ? 
757 1 G ASP 90  0.946 0.109 44.820 t70     -105.5 122.0  Favored ? 
758 1 G GLU 91  0.852 0.193 53.300 tt0     -59.0  -41.6  Favored ? 
759 1 G GLU 92  0.961 0.098 45.940 mt-10   -78.3  -41.1  Favored ? 
760 1 G LEU 93  0.976 0.096 37.120 mt      -64.0  -42.0  Favored ? 
761 1 G ASN 94  0.974 0.102 37.390 t30     -62.9  -41.4  Favored ? 
762 1 G LYS 95  0.955 0.150 46.130 tptt    -60.1  -51.0  Favored ? 
763 1 G LEU 96  0.977 0.146 31.990 tp      -58.5  -35.6  Favored ? 
764 1 G LEU 97  0.968 0.146 32.580 mt      -110.1 33.8   Favored ? 
765 1 G GLY 98  0.979 0.117 35.380 ?       -58.9  -32.7  Favored ? 
766 1 G ARG 99  0.874 0.235 49.810 mmt180  -104.8 16.1   Favored ? 
767 1 G VAL 100 0.983 0.167 30.870 t       -101.4 134.0  Favored ? 
768 1 G THR 101 0.981 0.127 31.820 m       -101.0 123.1  Favored ? 
769 1 G ILE 102 0.933 0.172 32.540 mt      -97.0  106.3  Favored ? 
770 1 G ALA 103 0.978 0.134 29.680 ?       -56.4  131.0  Favored ? 
771 1 G GLN 104 0.924 0.191 38.550 mm-40   67.0   19.9   Favored ? 
772 1 G GLY 105 0.988 0.111 30.800 ?       -85.2  -25.7  Favored ? 
773 1 G GLY 106 0.976 0.096 31.200 ?       68.4   -161.0 Favored ? 
774 1 G VAL 107 0.963 0.145 33.840 m       -127.7 167.5  Favored ? 
775 1 G LEU 108 0.950 0.154 39.050 mt      -68.6  137.2  Favored ? 
776 1 G PRO 109 0.970 0.148 45.200 Cg_endo -66.2  118.1  Favored ? 
777 1 G ASN 110 0.921 0.130 49.060 t30     -149.6 116.6  Favored ? 
778 1 G ILE 111 0.970 0.140 38.720 mt      -118.8 123.1  Favored ? 
779 1 G GLN 112 0.951 0.132 40.840 mm-40   -57.7  133.8  Favored ? 
780 1 G ALA 113 0.963 0.140 39.450 ?       -50.6  -46.7  Favored ? 
781 1 G VAL 114 0.972 0.144 41.810 t       -52.8  -23.7  Favored ? 
782 1 G LEU 115 0.983 0.121 36.090 mt      -84.6  -19.6  Favored ? 
783 1 G LEU 116 0.950 0.171 44.730 mt      -73.7  149.9  Favored ? 
784 1 G PRO 117 0.908 0.154 55.430 Cg_endo -70.1  154.0  Favored ? 
785 1 G LYS 118 0.809 0.276 67.760 mtmt    ?      ?      ?       ? 
799 1 H ARG 33  0.762 0.328 63.020 mtm180  ?      ?      ?       ? 
800 1 H LYS 34  0.878 0.297 59.230 mtmt    -109.8 131.7  Favored ? 
801 1 H GLU 35  0.907 0.179 46.970 pt-20   -100.4 150.5  Favored ? 
802 1 H SER 36  0.954 0.118 38.220 p       -146.1 174.2  Favored ? 
803 1 H TYR 37  0.976 0.122 30.100 m-85    -92.9  9.2    Favored ? 
804 1 H SER 38  0.963 0.138 38.440 m       -52.5  -51.9  Favored ? 
805 1 H ILE 39  0.974 0.132 39.440 pt      -63.5  -33.7  Favored ? 
806 1 H TYR 40  0.975 0.125 36.790 m-85    -72.8  -39.9  Favored ? 
807 1 H VAL 41  0.976 0.105 34.150 t       -61.1  -41.1  Favored ? 
808 1 H TYR 42  0.937 0.091 46.320 t80     -65.6  -39.9  Favored ? 
809 1 H LYS 43  0.964 0.157 46.080 mttt    -58.7  -48.3  Favored ? 
810 1 H VAL 44  0.950 0.097 40.510 t       -63.1  -41.5  Favored ? 
811 1 H LEU 45  0.963 0.143 42.330 tp      -55.9  -49.7  Favored ? 
812 1 H LYS 46  0.945 0.119 48.350 mmtt    -61.8  -29.5  Favored ? 
813 1 H GLN 47  0.889 0.160 52.220 mt-30   -66.0  -54.7  Favored ? 
814 1 H VAL 48  0.963 0.146 48.480 m       -78.8  -32.1  Favored ? 
815 1 H HIS 49  0.951 0.108 48.310 m-70    -139.0 88.7   Favored ? 
816 1 H PRO 50  0.966 0.117 49.990 Cg_exo  -56.4  -34.6  Favored ? 
817 1 H ASP 51  0.840 0.150 57.540 m-20    -96.5  3.4    Favored ? 
818 1 H THR 52  0.922 0.117 48.690 m       -99.1  139.1  Favored ? 
819 1 H GLY 53  0.960 0.126 41.910 ?       -104.8 -164.8 Favored ? 
820 1 H ILE 54  0.962 0.144 36.390 tt      -157.1 138.5  Favored ? 
821 1 H SER 55  0.966 0.130 34.770 p       -75.4  162.3  Favored ? 
822 1 H SER 56  0.951 0.136 40.710 t       -54.5  -47.9  Favored ? 
823 1 H LYS 57  0.946 0.176 45.550 mttm    -70.1  -33.3  Favored ? 
824 1 H ALA 58  0.973 0.123 31.890 ?       -68.2  -32.5  Favored ? 
825 1 H MET 59  0.982 0.127 31.940 tpp     -67.6  -34.0  Favored ? 
826 1 H GLY 60  0.977 0.148 29.090 ?       -63.4  -42.5  Favored ? 
827 1 H ILE 61  0.972 0.162 30.300 mt      -64.2  -41.8  Favored ? 
828 1 H MET 62  0.979 0.149 28.950 mmm     -62.0  -39.4  Favored ? 
829 1 H ASN 63  0.940 0.158 33.170 m-80    -61.7  -48.3  Favored ? 
830 1 H SER 64  0.984 0.135 28.270 m       -54.0  -43.0  Favored ? 
831 1 H PHE 65  0.965 0.145 27.990 t80     -57.9  -53.0  Favored ? 
832 1 H VAL 66  0.986 0.144 28.050 t       -59.9  -43.8  Favored ? 
833 1 H ASN 67  0.965 0.132 29.600 m-20    -63.4  -41.3  Favored ? 
834 1 H ASP 68  0.977 0.125 27.300 t0      -59.5  -56.7  Favored ? 
835 1 H ILE 69  0.968 0.133 26.660 mm      -64.0  -37.3  Favored ? 
836 1 H PHE 70  0.971 0.130 27.650 t80     -55.4  -49.3  Favored ? 
837 1 H GLU 71  0.914 0.202 37.010 tp10    -65.1  -40.4  Favored ? 
838 1 H ARG 72  0.968 0.154 27.460 mtt180  -61.0  -49.8  Favored ? 
839 1 H ILE 73  0.987 0.153 26.240 mt      -66.9  -43.2  Favored ? 
840 1 H ALA 74  0.977 0.156 26.860 ?       -65.1  -44.9  Favored ? 
841 1 H SER 75  0.965 0.177 27.030 p       -74.0  -34.8  Favored ? 
842 1 H GLU 76  0.981 0.173 30.300 tp10    -60.9  -44.8  Favored ? 
843 1 H ALA 77  0.976 0.114 27.860 ?       -59.0  -41.0  Favored ? 
844 1 H SER 78  0.977 0.168 29.980 t       -59.5  -47.2  Favored ? 
845 1 H ARG 79  0.970 0.145 36.180 mtm105  -61.8  -43.5  Favored ? 
846 1 H LEU 80  0.958 0.162 30.690 mt      -56.5  -47.5  Favored ? 
847 1 H ALA 81  0.953 0.169 32.670 ?       -59.0  -47.8  Favored ? 
848 1 H HIS 82  0.871 0.211 40.890 m170    -62.9  -45.7  Favored ? 
849 1 H TYR 83  0.928 0.164 40.410 m-30    -53.7  -38.7  Favored ? 
850 1 H ASN 84  0.931 0.160 37.450 m-80    -97.6  13.2   Favored ? 
851 1 H LYS 85  0.957 0.179 43.190 mttt    56.5   43.3   Favored ? 
852 1 H ARG 86  0.951 0.133 48.250 mmt180  -110.7 149.9  Favored ? 
853 1 H SER 87  0.976 0.138 38.960 p       -103.8 1.6    Favored ? 
854 1 H THR 88  0.978 0.142 35.240 m       -111.9 127.3  Favored ? 
855 1 H ILE 89  0.977 0.149 29.490 mt      -86.8  118.0  Favored ? 
856 1 H THR 90  0.982 0.111 32.780 p       -114.6 172.4  Favored ? 
857 1 H SER 91  0.956 0.145 33.950 p       -60.3  -21.5  Favored ? 
858 1 H ARG 92  0.917 0.148 40.750 ttt-85  -67.5  -42.9  Favored ? 
859 1 H GLU 93  0.968 0.121 34.220 mp0     -63.3  -38.3  Favored ? 
860 1 H VAL 94  0.952 0.103 31.570 t       -67.5  -40.6  Favored ? 
861 1 H GLN 95  0.958 0.115 35.020 tt0     -62.6  -51.5  Favored ? 
862 1 H THR 96  0.969 0.145 31.710 m       -57.9  -47.8  Favored ? 
863 1 H ALA 97  0.982 0.100 31.660 ?       -55.7  -42.3  Favored ? 
864 1 H VAL 98  0.973 0.175 32.730 t       -62.1  -39.7  Favored ? 
865 1 H ARG 99  0.938 0.135 37.830 mtp180  -64.4  -30.8  Favored ? 
866 1 H LEU 100 0.967 0.133 31.360 mt      -79.0  -34.5  Favored ? 
867 1 H LEU 101 0.971 0.146 31.920 mt      -91.8  -31.5  Favored ? 
868 1 H LEU 102 0.943 0.131 37.470 mt      -99.1  139.5  Favored ? 
869 1 H PRO 103 0.976 0.107 40.240 Cg_endo -69.2  142.2  Favored ? 
870 1 H GLY 104 0.962 0.114 43.110 ?       42.5   -122.5 Favored ? 
871 1 H GLU 105 0.872 0.195 53.890 mm-40   -58.4  -37.5  Favored ? 
872 1 H LEU 106 0.938 0.171 40.990 tp      -60.8  -44.5  Favored ? 
873 1 H ALA 107 0.913 0.127 40.010 ?       -63.5  -42.7  Favored ? 
874 1 H LYS 108 0.910 0.158 51.920 mttt    -60.8  -45.5  Favored ? 
875 1 H HIS 109 0.936 0.119 48.930 m80     -70.9  -36.8  Favored ? 
876 1 H ALA 110 0.971 0.114 42.370 ?       -60.3  -45.9  Favored ? 
877 1 H VAL 111 0.947 0.153 40.930 t       -63.0  -41.9  Favored ? 
878 1 H SER 112 0.942 0.149 47.490 t       -59.3  -51.4  Favored ? 
879 1 H GLU 113 0.935 0.140 48.920 mm-40   -61.4  -44.7  Favored ? 
880 1 H GLY 114 0.969 0.145 40.310 ?       -58.3  -51.4  Favored ? 
881 1 H THR 115 0.953 0.135 43.310 m       -58.7  -48.9  Favored ? 
882 1 H LYS 116 0.932 0.182 52.320 ttmt    -56.9  -43.7  Favored ? 
883 1 H ALA 117 0.967 0.112 40.540 ?       -66.1  -41.2  Favored ? 
884 1 H VAL 118 0.976 0.132 39.060 t       -67.3  -38.6  Favored ? 
885 1 H THR 119 0.961 0.168 46.270 m       -65.0  -46.5  Favored ? 
886 1 H LYS 120 0.938 0.212 52.260 ttmm    -61.1  -40.2  Favored ? 
887 1 H TYR 121 0.957 0.137 46.110 t80     -64.2  -45.0  Favored ? 
888 1 H THR 122 0.924 0.143 50.970 m       -66.4  -37.1  Favored ? 
889 1 H SER 123 0.942 0.229 60.950 m       -60.8  -32.1  Favored ? 
890 1 H SER 124 0.875 0.225 61.170 t       ?      ?      ?       ? 
# 
loop_
_pdbx_validation_software.ordinal 
_pdbx_validation_software.name 
_pdbx_validation_software.version 
_pdbx_validation_software.classification 
_pdbx_validation_software.details 
1  dcc                 '2.23  (2018-02-06)' 
'structure factor analysis and validation' 
DCC_R,DCC_refinement_program,B_factor_type,DCC_Rfree 
2  validation-pipeline trunk30967 '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
;
3  mogul               unknown 'geometric validation'                     
mogul-ignore 
4  eds                 trunk30967 'refinement and validation package'        
;rscc,owab,EDS_R,avgoccu,EDS_resolution_low,CCP4version,babinet_b,num-free-reflections,relative_RSRZ_percentile,rsrz,DataCompleteness,percent-RSRZ-outliers,bulk_solvent_b,RefmacVersion,bulk_solvent_k,percent-free-reflections,EDS_resolution,Fo_Fc_correlation,rsr,NatomsEDS,babinet_k,absolute_RSRZ_percentile
;
5  xtriage             1.13 'x-ray data assessment'                    
;xtriage_input_columns,numMillerIndices,DataAnisotropy,TransNCS,centric_outliers,TwinL,acentric_outliers,WilsonBestimate,TwinL2,IoverSigma,WilsonBaniso
;
6  molprobity          4.02b-467 'geometric validation'                     
;bond-outlier,relative_rama_percentile,phi,psi,RestypesNotcheckedForBondAngleGeometry,clash,angle-outlier,percent-rota-outliers,num_bonds_rmsz,absolute_sidechain_percentile,relative_sidechain_percentile,clashscore,bonds_rmsz,percent-rama-outliers,num-H-reduce,rota,num_angles_rmsz,angles_rmsz,absolute_rama_percentile,rama,flippable-sidechain
;
7  percentiles         
'20171227.v01 (using entries in the PDB archive December 27th 2017)' 
'percentile rank calculation'              
;numPDBids-absolute-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rota-outliers,absolute-percentile-percent-RSRZ-outliers,relative-percentile-percent-rama-outliers,absolute-percentile-percent-rama-outliers,absolute-percentile-clashscore,absolute-percentile-percent-rota-outliers,relative-percentile-clashscore,high-resol-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-DCC_Rfree,absolute-percentile-DCC_Rfree,relative-percentile-DCC_Rfree,relative-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-clashscore,high-resol-relative-percentile-clashscore,numPDBids-absolute-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-clashscore,numPDBids-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-percent-rama-outliers,low-resol-relative-percentile-percent-rota-outliers,numPDBids-absolute-percentile-clashscore,numPDBids-absolute-percentile-percent-rama-outliers,low-resol-relative-percentile-DCC_Rfree,high-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-absolute-percentile-DCC_Rfree,relative-percentile-percent-rota-outliers,high-resol-relative-percentile-DCC_Rfree
;
8  PHENIX              'unknown (associated with DCC package)' refinement ? 
9  CCP4                '7.0 (Gargrove)' 'data scaling and phasing' ? 
10 Refmac              5.8.0158 refinement                                 ? 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_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.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_atom_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_atom_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.linker_flag 
_pdbx_validate_rmsd_angle.Zscore 
1  1 2.00   0.30  108.30  110.30  I I I "O4'" "C1'" N1    DC  DC  DC  16  16  
16  N ?     
2  1 1.88   0.30  108.30  110.18  I I I "O4'" "C1'" N1    DC  DC  DC  26  26  
26  N ?     
3  1 2.36   0.30  108.30  110.66  I I I "O4'" "C1'" N9    DA  DA  DA  29  29  
29  N ?     
4  1 2.71   0.30  108.30  111.01  I I I "O4'" "C1'" N9    DG  DG  DG  33  33  
33  N ?     
5  1 2.08   0.30  108.30  110.38  I I I "O4'" "C1'" N1    DT  DT  DT  34  34  
34  N ?     
6  1 2.04   0.30  108.30  110.34  I I I "O4'" "C1'" N9    DG  DG  DG  58  58  
58  N ?     
7  1 2.94   0.30  108.30  111.24  I I I "O4'" "C1'" N9    DG  DG  DG  68  68  
68  N ?     
8  1 3.29   0.30  108.30  111.59  I I I "O4'" "C1'" N1    DC  DC  DC  84  84  
84  N ?     
9  1 2.15   0.30  108.30  110.45  I I I "O4'" "C1'" N9    DA  DA  DA  111 111 
111 N ?     
10 1 3.48   0.30  108.30  111.78  I I I "O4'" "C1'" N1    DC  DC  DC  116 116 
116 N ?     
11 1 2.06   0.30  108.30  110.36  I I I "O4'" "C1'" N1    DT  DT  DT  120 120 
120 N ?     
12 1 2.37   0.30  108.30  110.67  I I I "O4'" "C1'" N9    DA  DA  DA  124 124 
124 N ?     
13 1 3.50   0.30  108.30  111.80  I I I "O4'" "C1'" N9    DG  DG  DG  125 125 
125 N ?     
14 1 2.13   0.30  108.30  110.43  I I I "O4'" "C1'" N9    DG  DG  DG  134 134 
134 N ?     
15 1 3.24   0.30  108.30  111.54  I I I "O4'" "C1'" N9    DG  DG  DG  135 135 
135 N ?     
16 1 2.01   0.30  108.30  110.31  I I I "O4'" "C1'" N9    DG  DG  DG  138 138 
138 N ?     
17 1 3.72   0.30  108.30  112.02  I I I "O4'" "C1'" N9    DA  DA  DA  145 145 
145 N ?     
18 1 4.17   0.30  108.30  112.47  J J J "O4'" "C1'" N1    DC  DC  DC  190 190 
190 N ?     
19 1 2.33   0.30  108.30  110.63  J J J "O4'" "C1'" N1    DT  DT  DT  191 191 
191 N ?     
20 1 1.87   0.30  108.30  110.17  J J J "O4'" "C1'" N9    DG  DG  DG  192 192 
192 N ?     
21 1 -5.38  0.70  108.00  102.62  J J J "O4'" "C1'" N9    DG  DG  DG  214 214 
214 N ?     
22 1 1.93   0.30  108.30  110.23  J J J "O4'" "C1'" N1    DC  DC  DC  225 225 
225 N ?     
23 1 1.92   0.30  108.30  110.22  J J J "O4'" "C1'" N9    DG  DG  DG  227 227 
227 N ?     
24 1 2.00   0.30  108.30  110.30  J J J "O4'" "C1'" N1    DC  DC  DC  234 234 
234 N ?     
25 1 2.91   0.30  108.30  111.21  J J J "O4'" "C1'" N9    DG  DG  DG  240 240 
240 N ?     
26 1 3.66   0.30  108.30  111.96  J J J "O4'" "C1'" N9    DA  DA  DA  241 241 
241 N ?     
27 1 2.69   0.30  108.30  110.99  J J J "O4'" "C1'" N9    DG  DG  DG  244 244 
244 N ?     
28 1 1.97   0.30  108.30  110.27  J J J "O4'" "C1'" N1    DT  DT  DT  250 250 
250 N ?     
29 1 2.64   0.30  108.30  110.94  J J J "O4'" "C1'" N1    DC  DC  DC  254 254 
254 N ?     
30 1 2.18   0.30  108.30  110.48  J J J "O4'" "C1'" N9    DA  DA  DA  257 257 
257 N ?     
31 1 2.568  0.500 120.300 122.868 F F F NE    CZ    NH1   ARG ARG ARG 95  95  
95  N 5.14  
32 1 -2.848 0.500 120.300 117.452 F F F NE    CZ    NH2   ARG ARG ARG 95  95  
95  N -5.70 
33 1 -3.769 0.700 108.000 104.231 I I I "O4'" "C1'" N9    DG  DG  DG  15  15  
15  N -5.38 
34 1 3.588  0.700 108.000 111.588 I I I "O4'" "C1'" N1    DC  DC  DC  84  84  
84  N 5.12  
35 1 3.779  0.700 108.000 111.779 I I I "O4'" "C1'" N1    DC  DC  DC  116 116 
116 N 5.40  
36 1 3.798  0.700 108.000 111.798 I I I "O4'" "C1'" N9    DG  DG  DG  125 125 
125 N 5.42  
37 1 3.544  0.700 108.000 111.544 I I I "O4'" "C1'" N9    DG  DG  DG  135 135 
135 N 5.06  
38 1 4.016  0.700 108.000 112.016 I I I "O4'" "C1'" N9    DA  DA  DA  145 145 
145 N 5.74  
39 1 -4.066 0.700 108.000 103.934 J J J "O4'" "C1'" N9    DG  DG  DG  185 185 
185 N -5.81 
40 1 4.470  0.700 108.000 112.470 J J J "O4'" "C1'" N1    DC  DC  DC  190 190 
190 N 6.38  
41 1 -5.383 0.700 108.000 102.617 J J J "O4'" "C1'" N9    DG  DG  DG  214 214 
214 N -7.69 
42 1 -3.864 0.700 108.000 104.136 J J J "O4'" "C1'" N9    DA  DA  DA  228 228 
228 N -5.52 
43 1 3.961  0.700 108.000 111.961 J J J "O4'" "C1'" N9    DA  DA  DA  241 241 
241 N 5.66  
44 1 11.045 2.200 105.200 116.245 J J J OP2   P     "O3'" DC  DC  DC  262 262 
262 Y 5.02  
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.linker_flag 
_pdbx_validate_rmsd_bond.Zscore 
1  1 I I "O3'" "C3'" DG DG 15  15  -0.036 0.006 1.419 1.383 N ?     
2  1 I I "O3'" "C3'" DA DA 28  28  -0.041 0.006 1.419 1.378 N ?     
3  1 I I "O3'" "C3'" DC DC 49  49  -0.036 0.006 1.419 1.383 N ?     
4  1 I I "O3'" "C3'" DG DG 58  58  -0.051 0.006 1.419 1.368 N ?     
5  1 I I "O3'" "C3'" DA DA 67  67  -0.036 0.006 1.419 1.383 N ?     
6  1 I I "O3'" "C3'" DG DG 68  68  -0.046 0.006 1.419 1.373 N ?     
7  1 I I "O3'" "C3'" DT DT 80  80  -0.040 0.006 1.419 1.379 N ?     
8  1 I I "O3'" "C3'" DA DA 99  99  -0.047 0.006 1.419 1.372 N ?     
9  1 I I "O3'" "C3'" DG DG 100 100 -0.049 0.006 1.419 1.370 N ?     
10 1 I I "O3'" "C3'" DC DC 108 108 -0.038 0.006 1.419 1.381 N ?     
11 1 I I "O3'" "C3'" DT DT 120 120 -0.053 0.006 1.419 1.366 N ?     
12 1 I I "O3'" "C3'" DA DA 124 124 -0.041 0.006 1.419 1.378 N ?     
13 1 I I "O3'" "C3'" DG DG 125 125 -0.054 0.006 1.419 1.365 N ?     
14 1 J J "O3'" "C3'" DA DA 151 151 -0.037 0.006 1.419 1.382 N ?     
15 1 J J "O3'" "C3'" DT DT 152 152 -0.045 0.006 1.419 1.374 N ?     
16 1 J J "O3'" "C3'" DG DG 161 161 -0.040 0.006 1.419 1.379 N ?     
17 1 J J "O3'" "C3'" DA DA 173 173 -0.048 0.006 1.419 1.371 N ?     
18 1 J J "O3'" "C3'" DA DA 174 174 -0.053 0.006 1.419 1.366 N ?     
19 1 J J "O3'" "C3'" DC DC 190 190 -0.038 0.006 1.419 1.381 N ?     
20 1 J J "O3'" "C3'" DG DG 204 204 -0.037 0.006 1.419 1.382 N ?     
21 1 J J "O3'" "C3'" DA DA 213 213 -0.036 0.006 1.419 1.383 N ?     
22 1 J J "O3'" "C3'" DC DC 225 225 -0.041 0.006 1.419 1.378 N ?     
23 1 J J "O3'" "C3'" DG DG 227 227 -0.043 0.006 1.419 1.376 N ?     
24 1 J J "O3'" "C3'" DC DC 235 235 -0.047 0.006 1.419 1.372 N ?     
25 1 J J "O3'" "C3'" DA DA 245 245 -0.055 0.006 1.419 1.364 N ?     
26 1 I I "C3'" "O3'" DG DG 58  58  -0.067 0.013 1.435 1.368 N -5.16 
27 1 I I P     "O5'" DC DC 101 101 -0.055 0.010 1.593 1.538 N -5.47 
28 1 I I "C3'" "O3'" DT DT 120 120 -0.069 0.013 1.435 1.366 N -5.30 
29 1 I I "C3'" "O3'" DG DG 125 125 -0.070 0.013 1.435 1.365 N -5.39 
30 1 J J "C3'" "O3'" DA DA 174 174 -0.069 0.013 1.435 1.366 N -5.32 
31 1 J J "C3'" "O3'" DA DA 245 245 -0.071 0.013 1.435 1.364 N -5.43 
# 
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_asym_id_2 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.dist 
_pdbx_validate_close_contact.clash_magnitude 
1   1 J J OP2    O      DA  HOH 259 501 2.19 ?    
2   1 A A HB2    OE1    SER GLU 57  59  2.19 0.42 
3   1 A J HG3    OP1    PRO DT  66  237 2.18 0.44 
4   1 A B HB3    HG11   LYS VAL 79  70  1.99 0.44 
5   1 A I HG2    OP1    GLN DC  85  49  2.13 0.47 
6   1 A A O      HG3    ILE ARG 124 128 2.15 0.46 
7   1 B J O      "H3'"  ILE DG  46  227 2.17 0.44 
8   1 B J N      OP1    LYS DA  79  248 2.36 0.58 
9   1 B J N      OP1    THR DA  80  248 2.47 0.46 
10  1 C I HH22   P      ARG DG  20  31  2.39 0.44 
11  1 C I NH1    OP1    ARG DA  32  29  2.50 0.40 
12  1 C C NH2    O      ARG HOH 32  402 2.34 0.55 
13  1 C I HD2    "H5''" ARG DT  42  38  2.03 0.41 
14  1 C D HA3    CD2    GLY HIS 67  49  2.55 0.41 
15  1 C C NH2    O      ARG HOH 71  406 2.50 0.42 
16  1 C C O      HG3    PRO LYS 117 118 2.14 0.47 
17  1 C C HB2    HE2    LYS LYS 118 118 1.90 0.42 
18  1 D D OE2    NH1    GLU ARG 76  79  2.34 0.60 
19  1 D D NH2    O      ARG HOH 79  401 2.22 0.73 
20  1 D D HA     HD23   LEU LEU 101 101 1.92 0.41 
21  1 D D O      HB2    SER SER 123 124 2.09 0.52 
22  1 E E HD12   HE2    LEU LYS 60  64  1.94 0.49 
23  1 E E HE2    HE1    LYS MET 64  90  1.95 0.49 
24  1 E E HG22   O      THR HOH 80  403 2.21 0.41 
25  1 E J HG2    OP1    GLN DC  85  196 2.05 0.56 
26  1 F F HD3    O      ARG HOH 23  202 2.01 0.59 
27  1 G G HA3    CE2    GLY TYR 37  39  2.54 0.42 
28  1 G G ND2    HD3    ASN LYS 73  75  2.36 0.40 
29  1 G J NH1    "H4'"  ARG DT  77  166 2.34 0.43 
30  1 G G HG12   CE1    ILE HIS 79  82  2.48 0.48 
31  1 G G HD23   HA     LEU LEU 93  93  1.95 0.41 
32  1 H H CE2    HE3    TYR LYS 42  46  2.52 0.43 
33  1 H H OE1    NH1    GLU ARG 76  79  2.33 0.61 
34  1 H H HE3    HB2    LYS LYS 116 116 1.71 0.41 
35  1 I I "H2''" "H5'"  DT  DC  2   3   1.89 0.55 
36  1 I I "H2''" "H5''" DA  DT  5   6   1.39 1.04 
37  1 I I "H1'"  "H5'"  DA  DT  7   8   1.96 0.47 
38  1 I I H6     "H5''" DC  DC  9   9   1.79 0.46 
39  1 I I "C2'"  "H5'"  DC  DC  9   10  2.45 0.45 
40  1 I I "H2''" "H5'"  DC  DC  9   10  1.88 0.56 
41  1 I I N7     O      DG  HOH 18  403 2.34 0.53 
42  1 I I "H2''" C8     DT  DA  34  35  2.46 0.51 
43  1 I I "H2''" H8     DT  DA  34  35  1.79 0.45 
44  1 I I "H1'"  "H5''" DT  DT  36  37  1.89 0.54 
45  1 I I "H1'"  "H5'"  DT  DT  37  38  1.95 0.49 
46  1 I I "H5'"  H6     DT  DT  37  37  1.85 0.41 
47  1 I I "H1'"  C8     DG  DA  40  41  2.53 0.42 
48  1 I J H61    H3     DA  DT  41  252 1.68 0.41 
49  1 I I "H2''" "H5''" DA  DC  43  44  1.65 0.79 
50  1 I I "C2'"  "H5''" DA  DC  43  44  2.43 0.42 
51  1 I I "H2''" C6     DG  DC  46  47  2.48 0.49 
52  1 I I "H2''" C6     DC  DT  47  48  2.31 0.66 
53  1 I I "H2''" "H5''" DT  DC  48  49  1.91 0.52 
54  1 I I "H2''" C6     DT  DC  48  49  2.49 0.46 
55  1 I I "H2''" "H5'"  DA  DT  51  52  1.95 0.48 
56  1 I I "H2''" C8     DA  DG  57  58  2.55 0.41 
57  1 I I "H2''" C8     DC  DA  60  61  2.46 0.50 
58  1 I I "H2''" "H5''" DA  DG  77  78  1.80 0.61 
59  1 I I "C2'"  "H5''" DA  DG  77  78  2.47 0.41 
60  1 I I "H2''" C5     DG  DC  78  79  2.41 0.54 
61  1 I I "H2''" "H5'"  DA  DC  83  84  2.02 0.41 
62  1 I I "H2''" "H5'"  DA  DT  85  86  2.04 0.40 
63  1 I I "H2''" C6     DC  DC  88  89  2.44 0.53 
64  1 I I "H2''" H71    DC  DT  89  90  1.92 0.51 
65  1 I I "H2''" C7     DC  DT  89  90  2.49 0.42 
66  1 I I "H2''" "H5'"  DT  DT  91  92  1.92 0.52 
67  1 I I "H1'"  "H5'"  DT  DT  92  93  1.90 0.53 
68  1 I I "H2''" "H5'"  DA  DT  95  96  1.85 0.57 
69  1 I I N7     O      DG  HOH 100 402 2.31 0.60 
70  1 I I "H5'"  H6     DC  DC  101 101 1.81 0.46 
71  1 I I "H2''" "H5''" DC  DA  101 102 1.83 0.60 
72  1 I I "H2''" C8     DC  DA  101 102 2.37 0.60 
73  1 I I "C2'"  "H5''" DC  DA  101 102 2.51 0.41 
74  1 I I "H1'"  "H5'"  DT  DT  105 106 1.95 0.47 
75  1 I I "H2''" N7     DC  DA  108 109 2.11 0.66 
76  1 I I "H2''" C5     DC  DA  108 109 2.38 0.58 
77  1 I I "H2''" C8     DT  DG  120 121 2.48 0.49 
78  1 I I "H2''" C8     DG  DA  125 126 2.48 0.49 
79  1 I I "H1'"  "H5'"  DA  DT  127 128 1.98 0.45 
80  1 I I N7     O      DG  HOH 131 401 2.24 0.69 
81  1 I I "H2''" C6     DG  DC  131 132 2.53 0.42 
82  1 I I "H2''" "H5''" DA  DG  133 134 1.76 0.67 
83  1 I I "C2'"  H71    DG  DT  135 136 2.48 0.44 
84  1 I I "H1'"  "H5'"  DA  DT  139 140 1.88 0.55 
85  1 I I "H2'"  H72    DA  DT  141 142 2.00 0.43 
86  1 I I "H1'"  "H5'"  DT  DT  142 143 1.90 0.53 
87  1 J J "H2''" "H5'"  DT  DC  148 149 1.81 0.61 
88  1 J J "H2''" C8     DT  DA  152 153 2.45 0.52 
89  1 J J H6     "H5''" DC  DC  155 155 1.64 0.62 
90  1 J J "H5''" C6     DC  DC  155 155 2.49 0.41 
91  1 J J "H2''" "H5'"  DC  DC  155 156 1.86 0.56 
92  1 J J "C2'"  "H5'"  DC  DC  155 156 2.46 0.44 
93  1 J J "H2''" C8     DT  DG  160 161 2.41 0.55 
94  1 J J "H2''" N7     DC  DA  162 163 2.30 0.47 
95  1 J J "H2''" "H5'"  DA  DT  165 166 1.84 0.58 
96  1 J J "H2''" C8     DA  DA  173 174 2.55 0.41 
97  1 J J "C2'"  "H5''" DG  DT  179 180 2.45 0.44 
98  1 J J "H2''" "H5''" DG  DT  179 180 1.74 0.67 
99  1 J J "H2''" "H5'"  DA  DT  181 182 1.92 0.52 
100 1 J J "H1'"  "H5''" DT  DT  182 183 1.99 0.45 
101 1 J J "H1'"  "H5'"  DT  DT  183 184 2.01 0.42 
102 1 J J C6     "H5'"  DT  DT  183 183 2.56 0.40 
103 1 J J H6     "H5'"  DT  DT  183 183 1.76 0.51 
104 1 J J "H1'"  "H5'"  DG  DG  185 186 1.83 0.59 
105 1 J J "H2''" "H5'"  DC  DT  190 191 2.03 0.41 
106 1 J J "H2''" "H5''" DG  DC  192 193 1.93 0.51 
107 1 J J "H2''" "H5''" DT  DC  194 195 1.83 0.59 
108 1 J J "H2''" C6     DT  DC  194 195 2.49 0.47 
109 1 J J "H2''" C6     DC  DC  195 196 2.54 0.42 
110 1 J J "H2''" "H5'"  DA  DT  197 198 1.93 0.51 
111 1 J J "H1'"  "H5'"  DA  DT  207 208 1.99 0.43 
112 1 J J "H2''" C8     DT  DG  216 217 2.40 0.56 
113 1 J J "H2''" C8     DT  DG  226 227 2.44 0.53 
114 1 J J "H2''" "H5'"  DA  DC  229 230 1.82 0.62 
115 1 J J "H2''" H71    DC  DT  235 236 1.96 0.46 
116 1 J J "H2''" C7     DC  DT  235 236 2.50 0.42 
117 1 J J "H1'"  "H5'"  DT  DT  238 239 1.85 0.59 
118 1 J J "H2''" "H5'"  DA  DT  241 242 2.03 0.40 
119 1 J J "H2''" C8     DG  DA  244 245 2.55 0.41 
120 1 J J "H2''" C8     DC  DA  247 248 2.47 0.50 
121 1 J J "H2''" N7     DC  DA  254 255 2.19 0.57 
122 1 J J "H2''" C8     DC  DA  254 255 2.52 0.45 
123 1 J J OP2    O      DA  HOH 259 501 2.19 0.53 
124 1 J J "H2''" "H5'"  DA  DC  259 260 1.94 0.48 
125 1 J J "H1'"  "H5'"  DC  DT  262 263 1.79 0.65 
126 1 J J "H2''" N7     DT  DG  266 267 2.34 0.42 
127 1 J J "H2''" C8     DG  DA  271 272 2.39 0.57 
128 1 J J "H1'"  "H5'"  DA  DT  273 274 2.03 0.41 
129 1 J J "H5''" C8     DG  DG  277 277 2.34 0.62 
130 1 J J "H5''" H8     DG  DG  277 277 1.68 0.58 
131 1 J J "C2'"  "H5''" DA  DG  279 280 2.47 0.42 
132 1 J J "H2''" "H5''" DA  DG  279 280 1.75 0.68 
133 1 J J "H2''" "H5''" DG  DT  281 282 1.76 0.67 
134 1 J J "C2'"  "H5''" DT  DG  282 283 2.51 0.41 
135 1 J J "H2''" C8     DG  DG  283 284 2.44 0.53 
136 1 J J "H2''" H8     DG  DG  283 284 1.84 0.43 
137 1 J J "H1'"  "H5'"  DA  DT  285 286 1.86 0.57 
138 1 J J "H1'"  "H5''" DT  DA  286 287 2.02 0.42 
139 1 J J "H1'"  "H5'"  DT  DT  288 289 1.93 0.50 
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