NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8850 |
1mxp   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 -2.020 5.221 3.967
2 2H GLY 1 2HT GLY 1 -2.472 5.764 5.511
3 3H GLY 1 3HT GLY 1 -2.899 6.664 4.135
4 1HA GLY 1 1HA GLY 1 -3.973 4.059 5.032
5 2HA GLY 1 2HA GLY 1 -4.848 5.562 4.752
6 H CYS 2 H CYS 2 -2.370 4.649 2.511
7 HA CYS 2 HA CYS 2 -3.941 4.788 0.234
8 1HB CYS 2 1HB CYS 2 -1.484 3.131 0.655
9 2HB CYS 2 2HB CYS 2 -2.073 3.656 -0.882
10 H CYS 3 H CYS 3 -2.811 2.034 1.977
11 HA CYS 3 HA CYS 3 -4.534 0.067 0.600
12 1HB CYS 3 2HB CYS 3 -2.250 -0.220 0.559
13 2HB CYS 3 1HB CYS 3 -2.065 0.016 2.277
14 H SER 4 H SER 4 -6.456 0.031 1.508
15 HA SER 4 HA SER 4 -7.127 0.500 4.183
16 1HB SER 4 2HB SER 4 -8.762 0.628 2.285
17 2HB SER 4 1HB SER 4 -8.659 -1.120 2.098
18 HG SER 4 HG SER 4 -9.374 0.231 4.483
19 H TYR 5 H TYR 5 -6.546 -2.404 2.403
20 HA TYR 5 HA TYR 5 -7.275 -4.407 4.209
21 1HB TYR 5 2HB TYR 5 -5.051 -4.418 2.124
22 2HB TYR 5 1HB TYR 5 -5.854 -5.843 2.763
23 HD1 TYR 5 HD1 TYR 5 -6.113 -3.072 0.431
24 HD2 TYR 5 HD2 TYR 5 -8.337 -6.171 2.334
25 HE1 TYR 5 HE1 TYR 5 -7.887 -2.820 -1.227
26 HE2 TYR 5 HE2 TYR 5 -10.111 -5.913 0.670
27 HH TYR 5 HH TYR 5 -9.858 -4.686 -2.115
28 HA PRO 6 HA PRO 6 -4.210 -4.541 7.397
29 1HB PRO 6 2HB PRO 6 -3.744 -7.401 7.290
30 2HB PRO 6 1HB PRO 6 -4.655 -6.466 8.460
31 1HG PRO 6 2HG PRO 6 -5.709 -8.172 6.415
32 2HG PRO 6 1HG PRO 6 -6.607 -7.199 7.567
33 1HD PRO 6 2HD PRO 6 -6.276 -6.724 4.723
34 2HD PRO 6 1HD PRO 6 -7.234 -5.792 5.884
35 HA PRO 7 HA PRO 7 -0.383 -6.644 5.541
36 1HB PRO 7 2HB PRO 7 -0.408 -7.755 3.029
37 2HB PRO 7 1HB PRO 7 -0.869 -8.634 4.483
38 1HG PRO 7 2HG PRO 7 -2.603 -7.344 2.419
39 2HG PRO 7 1HG PRO 7 -2.865 -8.873 3.263
40 1HD PRO 7 2HD PRO 7 -4.122 -6.473 3.909
41 2HD PRO 7 1HD PRO 7 -3.882 -7.795 5.070
42 H CYS 8 H CYS 8 0.259 -4.595 5.530
43 HA CYS 8 HA CYS 8 1.017 -3.356 2.947
44 1HB CYS 8 2HB CYS 8 -0.303 -1.672 5.107
45 2HB CYS 8 1HB CYS 8 -0.025 -1.276 3.442
46 H PHE 9 H PHE 9 3.277 -2.465 3.378
47 HA PHE 9 HA PHE 9 4.358 -3.144 5.947
48 1HB PHE 9 2HB PHE 9 6.422 -2.140 5.133
49 2HB PHE 9 1HB PHE 9 5.736 -3.075 3.842
50 HD1 PHE 9 HD1 PHE 9 6.817 0.234 4.883
51 HD2 PHE 9 HD2 PHE 9 4.671 -1.896 1.895
52 HE1 PHE 9 HE1 PHE 9 6.961 2.182 3.401
53 HE2 PHE 9 HE2 PHE 9 4.817 0.050 0.427
54 HZ PHE 9 HZ PHE 9 5.936 2.106 1.152
55 H ALA 10 H ALA 10 4.308 0.128 4.556
56 HA ALA 10 HA ALA 10 4.168 1.322 7.152
57 1HB ALA 10 1HB ALA 10 4.123 2.525 4.362
58 2HB ALA 10 2HB ALA 10 5.554 2.346 5.360
59 3HB ALA 10 3HB ALA 10 4.294 3.468 5.837
60 H THR 11 H THR 11 2.370 1.545 4.157
61 HA THR 11 HA THR 11 -0.185 0.976 5.254
62 HB THR 11 HB THR 11 0.084 3.343 6.230
63 HG1 THR 11 HG1 THR 11 -1.865 2.395 4.766
64 1HG2 THR 11 1HG2 THR 11 0.143 5.277 4.699
65 2HG2 THR 11 2HG2 THR 11 0.151 4.232 3.290
66 3HG2 THR 11 3HG2 THR 11 1.544 4.278 4.359
67 H ASN 12 H ASN 12 1.481 0.299 3.118
68 HA ASN 12 HA ASN 12 -0.399 -0.104 1.019
69 1HB ASN 12 2HB ASN 12 0.247 2.421 0.691
70 2HB ASN 12 1HB ASN 12 1.796 1.813 0.198
71 1HD2 ASN 12 1HD2 ASN 12 -1.680 1.431 -0.587
72 2HD2 ASN 12 2HD2 ASN 12 -1.438 1.197 -2.252
73 HA PRO 13 HA PRO 13 3.047 -2.710 -0.614
74 1HB PRO 13 2HB PRO 13 2.309 -2.105 -3.322
75 2HB PRO 13 1HB PRO 13 2.070 -3.604 -2.438
76 1HG PRO 13 2HG PRO 13 0.134 -1.460 -3.030
77 2HG PRO 13 1HG PRO 13 -0.170 -3.131 -2.572
78 1HD PRO 13 2HD PRO 13 -0.589 -0.961 -0.890
79 2HD PRO 13 1HD PRO 13 -0.310 -2.603 -0.316
80 H ASP 14 H ASP 14 2.468 0.641 -1.001
81 HA ASP 14 HA ASP 14 5.298 1.172 -1.349
82 1HB ASP 14 2HB ASP 14 4.659 0.565 -3.691
83 2HB ASP 14 1HB ASP 14 3.439 1.819 -3.682
84 H CYS 15 H CYS 15 3.955 2.191 0.763
85 HA CYS 15 HA CYS 15 3.979 4.983 0.253
86 1HB CYS 15 1HB CYS 15 1.718 3.439 1.565
87 2HB CYS 15 2HB CYS 15 1.922 5.117 1.739
88 1HN NH2 16 1H CYS 15 6.082 4.038 1.453
89 2HN NH2 16 2H CYS 15 6.048 4.272 3.135
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 -4.760 6.951 4.283
2 2H GLY 1 2HT GLY 1 -5.787 6.802 5.628
3 3H GLY 1 3HT GLY 1 -6.434 6.778 4.058
4 1HA GLY 1 1HA GLY 1 -4.582 4.739 5.158
5 2HA GLY 1 2HA GLY 1 -6.335 4.556 5.044
6 H CYS 2 H CYS 2 -3.431 5.166 3.153
7 HA CYS 2 HA CYS 2 -4.399 5.018 0.565
8 1HB CYS 2 2HB CYS 2 -2.098 5.623 1.205
9 2HB CYS 2 1HB CYS 2 -1.767 3.975 1.657
10 H CYS 3 H CYS 3 -2.811 2.341 2.229
11 HA CYS 3 HA CYS 3 -4.111 0.345 0.484
12 1HB CYS 3 2HB CYS 3 -1.716 0.241 0.905
13 2HB CYS 3 1HB CYS 3 -1.979 0.187 2.621
14 H SER 4 H SER 4 -6.162 0.091 1.104
15 HA SER 4 HA SER 4 -7.276 0.264 3.636
16 1HB SER 4 2HB SER 4 -8.200 -1.271 1.170
17 2HB SER 4 1HB SER 4 -9.230 -0.898 2.558
18 HG SER 4 HG SER 4 -8.586 1.320 2.254
19 H TYR 5 H TYR 5 -5.653 -2.381 2.137
20 HA TYR 5 HA TYR 5 -6.651 -4.538 3.679
21 1HB TYR 5 2HB TYR 5 -3.955 -4.165 2.318
22 2HB TYR 5 1HB TYR 5 -4.596 -5.699 2.868
23 HD1 TYR 5 HD1 TYR 5 -4.922 -3.041 0.353
24 HD2 TYR 5 HD2 TYR 5 -6.538 -6.731 1.744
25 HE1 TYR 5 HE1 TYR 5 -6.168 -3.288 -1.739
26 HE2 TYR 5 HE2 TYR 5 -7.781 -6.974 -0.350
27 HH TYR 5 HH TYR 5 -8.596 -4.830 -2.265
28 HA PRO 6 HA PRO 6 -4.303 -4.064 7.534
29 1HB PRO 6 2HB PRO 6 -4.195 -6.913 7.991
30 2HB PRO 6 1HB PRO 6 -5.205 -5.715 8.768
31 1HG PRO 6 2HG PRO 6 -6.042 -7.684 6.849
32 2HG PRO 6 1HG PRO 6 -7.024 -6.476 7.658
33 1HD PRO 6 2HD PRO 6 -6.151 -6.482 4.879
34 2HD PRO 6 1HD PRO 6 -7.217 -5.330 5.693
35 HA PRO 7 HA PRO 7 -0.405 -6.429 6.278
36 1HB PRO 7 2HB PRO 7 -0.358 -8.330 4.334
37 2HB PRO 7 1HB PRO 7 -0.853 -8.691 5.986
38 1HG PRO 7 2HG PRO 7 -2.547 -8.227 3.560
39 2HG PRO 7 1HG PRO 7 -2.802 -9.388 4.864
40 1HD PRO 7 2HD PRO 7 -4.097 -6.903 4.626
41 2HD PRO 7 1HD PRO 7 -3.948 -7.829 6.135
42 H CYS 8 H CYS 8 0.256 -4.522 5.494
43 HA CYS 8 HA CYS 8 0.195 -4.091 2.530
44 1HB CYS 8 2HB CYS 8 0.006 -2.027 4.721
45 2HB CYS 8 1HB CYS 8 0.154 -1.658 3.022
46 H PHE 9 H PHE 9 1.867 -3.028 1.590
47 HA PHE 9 HA PHE 9 4.509 -3.465 2.792
48 1HB PHE 9 2HB PHE 9 5.262 -3.173 0.458
49 2HB PHE 9 1HB PHE 9 3.943 -4.317 0.493
50 HD1 PHE 9 HD1 PHE 9 5.158 -1.300 -0.916
51 HD2 PHE 9 HD2 PHE 9 1.518 -3.348 -0.091
52 HE1 PHE 9 HE1 PHE 9 4.006 0.118 -2.524
53 HE2 PHE 9 HE2 PHE 9 0.364 -1.921 -1.708
54 HZ PHE 9 HZ PHE 9 1.604 -0.177 -2.930
55 H ALA 10 H ALA 10 3.194 -1.538 4.087
56 HA ALA 10 HA ALA 10 3.215 1.096 3.313
57 1HB ALA 10 1HB ALA 10 2.265 0.308 5.414
58 2HB ALA 10 2HB ALA 10 3.390 1.614 5.749
59 3HB ALA 10 3HB ALA 10 3.865 -0.052 6.043
60 H THR 11 H THR 11 6.030 -0.781 3.841
61 HA THR 11 HA THR 11 7.768 1.519 4.367
62 HB THR 11 HB THR 11 8.226 -0.727 5.456
63 HG1 THR 11 HG1 THR 11 10.236 -0.326 3.532
64 1HG2 THR 11 1HG2 THR 11 8.865 -1.681 2.600
65 2HG2 THR 11 2HG2 THR 11 7.452 -2.194 3.505
66 3HG2 THR 11 3HG2 THR 11 9.059 -2.613 4.072
67 H ASN 12 H ASN 12 6.306 1.660 1.994
68 HA ASN 12 HA ASN 12 8.469 1.930 0.024
69 1HB ASN 12 2HB ASN 12 5.722 0.727 -0.312
70 2HB ASN 12 1HB ASN 12 6.752 1.180 -1.638
71 1HD2 ASN 12 1HD2 ASN 12 8.533 -0.225 -2.145
72 2HD2 ASN 12 2HD2 ASN 12 8.844 -1.672 -1.312
73 HA PRO 13 HA PRO 13 6.748 5.973 -0.491
74 1HB PRO 13 2HB PRO 13 7.400 6.434 -3.180
75 2HB PRO 13 1HB PRO 13 8.471 6.685 -1.810
76 1HG PRO 13 2HG PRO 13 8.497 4.515 -3.814
77 2HG PRO 13 1HG PRO 13 9.792 5.066 -2.761
78 1HD PRO 13 2HD PRO 13 8.228 2.707 -2.417
79 2HD PRO 13 1HD PRO 13 9.349 3.407 -1.235
80 H ASP 14 H ASP 14 6.237 4.223 -3.510
81 HA ASP 14 HA ASP 14 3.544 5.317 -3.856
82 1HB ASP 14 2HB ASP 14 5.040 4.916 -5.804
83 2HB ASP 14 1HB ASP 14 5.071 3.199 -5.450
84 H CYS 15 H CYS 15 2.586 4.544 -1.953
85 HA CYS 15 HA CYS 15 2.361 1.849 -1.201
86 1HB CYS 15 1HB CYS 15 0.614 2.703 0.309
87 2HB CYS 15 2HB CYS 15 2.062 3.659 0.312
88 1HN NH2 16 1H CYS 15 1.084 3.113 -3.994
89 2HN NH2 16 2H CYS 15 -0.303 2.148 -4.143
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 -3.396 5.845 4.730
2 2H GLY 1 2HT GLY 1 -3.566 5.565 6.397
3 3H GLY 1 3HT GLY 1 -4.874 6.173 5.499
4 1HA GLY 1 1HA GLY 1 -3.752 3.453 5.536
5 2HA GLY 1 2HA GLY 1 -5.431 3.965 5.724
6 H CYS 2 H CYS 2 -2.995 4.848 3.338
7 HA CYS 2 HA CYS 2 -4.561 5.013 1.082
8 1HB CYS 2 2HB CYS 2 -2.215 5.712 1.259
9 2HB CYS 2 1HB CYS 2 -1.702 4.051 1.314
10 H CYS 3 H CYS 3 -2.927 2.186 2.342
11 HA CYS 3 HA CYS 3 -4.193 0.376 0.342
12 1HB CYS 3 2HB CYS 3 -1.746 0.297 0.819
13 2HB CYS 3 1HB CYS 3 -2.077 -0.054 2.485
14 H SER 4 H SER 4 -6.177 -0.057 0.942
15 HA SER 4 HA SER 4 -7.461 0.214 3.360
16 1HB SER 4 2HB SER 4 -8.625 -0.067 1.171
17 2HB SER 4 1HB SER 4 -8.135 -1.758 1.135
18 HG SER 4 HG SER 4 -9.757 -2.137 2.374
19 H TYR 5 H TYR 5 -5.954 -2.592 2.041
20 HA TYR 5 HA TYR 5 -6.767 -4.519 3.941
21 1HB TYR 5 1HB TYR 5 -4.284 -4.410 2.186
22 2HB TYR 5 2HB TYR 5 -4.919 -5.858 2.950
23 HD1 TYR 5 HD1 TYR 5 -5.355 -3.501 0.200
24 HD2 TYR 5 HD2 TYR 5 -7.221 -6.682 2.337
25 HE1 TYR 5 HE1 TYR 5 -6.947 -3.802 -1.631
26 HE2 TYR 5 HE2 TYR 5 -8.811 -6.979 0.502
27 HH TYR 5 HH TYR 5 -9.391 -6.373 -1.554
28 HA PRO 6 HA PRO 6 -4.052 -3.733 7.475
29 1HB PRO 6 2HB PRO 6 -4.021 -6.550 8.165
30 2HB PRO 6 1HB PRO 6 -4.836 -5.222 8.965
31 1HG PRO 6 2HG PRO 6 -6.039 -7.266 7.354
32 2HG PRO 6 1HG PRO 6 -6.833 -5.922 8.156
33 1HD PRO 6 2HD PRO 6 -6.347 -6.247 5.315
34 2HD PRO 6 1HD PRO 6 -7.185 -4.919 6.131
35 HA PRO 7 HA PRO 7 -0.434 -6.532 6.114
36 1HB PRO 7 2HB PRO 7 -0.721 -8.316 4.048
37 2HB PRO 7 1HB PRO 7 -1.053 -8.730 5.727
38 1HG PRO 7 2HG PRO 7 -2.956 -8.009 3.542
39 2HG PRO 7 1HG PRO 7 -3.160 -9.225 4.807
40 1HD PRO 7 2HD PRO 7 -4.312 -6.692 4.838
41 2HD PRO 7 1HD PRO 7 -3.994 -7.638 6.308
42 H CYS 8 H CYS 8 0.356 -4.685 5.397
43 HA CYS 8 HA CYS 8 0.605 -4.239 2.489
44 1HB CYS 8 2HB CYS 8 -0.392 -2.089 4.369
45 2HB CYS 8 1HB CYS 8 -0.012 -1.856 2.691
46 H PHE 9 H PHE 9 1.946 -2.448 1.965
47 HA PHE 9 HA PHE 9 4.515 -2.709 3.167
48 1HB PHE 9 2HB PHE 9 5.051 -0.799 1.546
49 2HB PHE 9 1HB PHE 9 4.292 -2.183 0.784
50 HD1 PHE 9 HD1 PHE 9 2.104 -2.026 -0.160
51 HD2 PHE 9 HD2 PHE 9 3.652 1.279 2.043
52 HE1 PHE 9 HE1 PHE 9 0.254 -0.635 -0.954
53 HE2 PHE 9 HE2 PHE 9 1.794 2.669 1.245
54 HZ PHE 9 HZ PHE 9 0.089 1.703 -0.256
55 H ALA 10 H ALA 10 5.577 -1.374 4.480
56 HA ALA 10 HA ALA 10 4.346 -0.064 6.573
57 1HB ALA 10 1HB ALA 10 6.702 -0.748 6.625
58 2HB ALA 10 2HB ALA 10 6.579 0.952 7.047
59 3HB ALA 10 3HB ALA 10 7.117 0.482 5.441
60 H THR 11 H THR 11 6.223 1.800 4.230
61 HA THR 11 HA THR 11 4.074 3.784 3.890
62 HB THR 11 HB THR 11 6.768 4.598 5.180
63 HG1 THR 11 HG1 THR 11 5.305 3.578 6.574
64 1HG2 THR 11 1HG2 THR 11 4.194 6.203 4.655
65 2HG2 THR 11 2HG2 THR 11 5.643 6.385 3.679
66 3HG2 THR 11 3HG2 THR 11 5.670 6.822 5.378
67 H ASN 12 H ASN 12 4.149 3.204 1.767
68 HA ASN 12 HA ASN 12 6.645 3.563 0.216
69 1HB ASN 12 2HB ASN 12 5.190 1.570 -0.213
70 2HB ASN 12 1HB ASN 12 3.870 2.638 -0.658
71 1HD2 ASN 12 1HD2 ASN 12 4.461 4.234 -2.519
72 2HD2 ASN 12 2HD2 ASN 12 5.403 3.604 -3.782
73 HA PRO 13 HA PRO 13 5.496 7.789 -0.720
74 1HB PRO 13 2HB PRO 13 6.757 7.843 -3.304
75 2HB PRO 13 1HB PRO 13 7.397 8.444 -1.783
76 1HG PRO 13 2HG PRO 13 8.100 5.999 -3.229
77 2HG PRO 13 1HG PRO 13 8.940 6.767 -1.890
78 1HD PRO 13 2HD PRO 13 7.433 4.373 -1.755
79 2HD PRO 13 1HD PRO 13 8.001 5.313 -0.365
80 H ASP 14 H ASP 14 5.483 5.795 -3.621
81 HA ASP 14 HA ASP 14 2.883 6.935 -4.500
82 1HB ASP 14 2HB ASP 14 4.793 6.703 -6.135
83 2HB ASP 14 1HB ASP 14 4.810 4.971 -5.859
84 H CYS 15 H CYS 15 2.323 5.827 -2.341
85 HA CYS 15 HA CYS 15 2.080 3.130 -1.887
86 1HB CYS 15 1HB CYS 15 0.324 3.722 -0.335
87 2HB CYS 15 2HB CYS 15 1.569 4.924 -0.298
88 1HN NH2 16 1H CYS 15 0.514 1.504 -2.355
89 2HN NH2 16 2H CYS 15 -0.670 1.683 -3.558
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 -8.329 4.888 2.965
2 2H GLY 1 2HT GLY 1 -7.732 5.655 1.573
3 3H GLY 1 3HT GLY 1 -7.970 6.549 2.998
4 1HA GLY 1 1HA GLY 1 -5.730 6.231 3.112
5 2HA GLY 1 2HA GLY 1 -6.319 4.820 3.997
6 H CYS 2 H CYS 2 -3.886 5.311 2.265
7 HA CYS 2 HA CYS 2 -3.935 3.999 -0.161
8 1HB CYS 2 2HB CYS 2 -1.730 3.785 1.898
9 2HB CYS 2 1HB CYS 2 -1.577 3.589 0.183
10 H CYS 3 H CYS 3 -3.115 2.663 2.977
11 HA CYS 3 HA CYS 3 -3.234 -0.110 2.061
12 1HB CYS 3 2HB CYS 3 -1.537 0.633 3.663
13 2HB CYS 3 1HB CYS 3 -2.774 1.119 4.793
14 H SER 4 H SER 4 -5.470 -0.102 1.405
15 HA SER 4 HA SER 4 -7.635 0.329 3.124
16 1HB SER 4 2HB SER 4 -7.383 -1.463 0.655
17 2HB SER 4 1HB SER 4 -8.912 -0.932 1.367
18 HG SER 4 HG SER 4 -8.019 1.245 1.187
19 H TYR 5 H TYR 5 -6.008 -2.649 2.126
20 HA TYR 5 HA TYR 5 -7.319 -4.243 4.212
21 1HB TYR 5 1HB TYR 5 -5.371 -4.963 1.982
22 2HB TYR 5 2HB TYR 5 -6.193 -6.113 3.014
23 HD1 TYR 5 HD1 TYR 5 -6.578 -3.776 0.224
24 HD2 TYR 5 HD2 TYR 5 -8.664 -6.420 2.833
25 HE1 TYR 5 HE1 TYR 5 -8.527 -3.705 -1.257
26 HE2 TYR 5 HE2 TYR 5 -10.609 -6.346 1.348
27 HH TYR 5 HH TYR 5 -11.450 -4.405 -0.486
28 HA PRO 6 HA PRO 6 -4.229 -3.668 7.184
29 1HB PRO 6 2HB PRO 6 -3.852 -6.465 7.920
30 2HB PRO 6 1HB PRO 6 -4.668 -5.179 8.787
31 1HG PRO 6 2HG PRO 6 -5.888 -7.342 7.365
32 2HG PRO 6 1HG PRO 6 -6.693 -6.011 8.179
33 1HD PRO 6 2HD PRO 6 -6.452 -6.444 5.323
34 2HD PRO 6 1HD PRO 6 -7.281 -5.122 6.162
35 HA PRO 7 HA PRO 7 -0.424 -6.255 6.152
36 1HB PRO 7 2HB PRO 7 -0.415 -8.247 4.292
37 2HB PRO 7 1HB PRO 7 -1.017 -8.481 5.931
38 1HG PRO 7 2HG PRO 7 -2.550 -8.001 3.403
39 2HG PRO 7 1HG PRO 7 -2.950 -9.098 4.727
40 1HD PRO 7 2HD PRO 7 -4.070 -6.549 4.347
41 2HD PRO 7 1HD PRO 7 -4.030 -7.397 5.906
42 H CYS 8 H CYS 8 0.193 -4.242 5.333
43 HA CYS 8 HA CYS 8 0.505 -3.956 2.391
44 1HB CYS 8 1HB CYS 8 0.226 -2.034 4.521
45 2HB CYS 8 2HB CYS 8 0.483 -1.606 2.866
46 H PHE 9 H PHE 9 2.174 -2.291 1.939
47 HA PHE 9 HA PHE 9 4.755 -3.327 2.377
48 1HB PHE 9 2HB PHE 9 5.450 -1.308 1.102
49 2HB PHE 9 1HB PHE 9 4.051 -2.061 0.380
50 HD1 PHE 9 HD1 PHE 9 4.621 0.534 -0.499
51 HD2 PHE 9 HD2 PHE 9 2.478 -0.473 3.056
52 HE1 PHE 9 HE1 PHE 9 3.508 2.715 -0.529
53 HE2 PHE 9 HE2 PHE 9 1.383 1.693 3.009
54 HZ PHE 9 HZ PHE 9 1.889 3.307 1.225
55 H ALA 10 H ALA 10 5.152 -0.063 2.803
56 HA ALA 10 HA ALA 10 6.577 -0.233 5.200
57 1HB ALA 10 1HB ALA 10 5.293 2.194 3.878
58 2HB ALA 10 2HB ALA 10 6.898 1.569 3.537
59 3HB ALA 10 3HB ALA 10 6.551 2.275 5.104
60 H THR 11 H THR 11 3.314 0.630 4.465
61 HA THR 11 HA THR 11 1.372 0.907 5.674
62 HB THR 11 HB THR 11 2.853 -0.785 7.816
63 HG1 THR 11 HG1 THR 11 2.842 -1.573 5.629
64 1HG2 THR 11 1HG2 THR 11 -0.108 -0.653 6.984
65 2HG2 THR 11 2HG2 THR 11 0.484 0.133 8.435
66 3HG2 THR 11 3HG2 THR 11 0.564 -1.612 8.294
67 H ASN 12 H ASN 12 2.970 3.071 5.702
68 HA ASN 12 HA ASN 12 3.196 4.095 8.445
69 1HB ASN 12 2HB ASN 12 4.010 5.177 5.728
70 2HB ASN 12 1HB ASN 12 4.258 6.045 7.223
71 1HD2 ASN 12 1HD2 ASN 12 6.592 5.928 6.886
72 2HD2 ASN 12 2HD2 ASN 12 7.446 4.484 7.150
73 HA PRO 13 HA PRO 13 -0.586 6.420 8.284
74 1HB PRO 13 2HB PRO 13 0.367 8.808 9.528
75 2HB PRO 13 1HB PRO 13 -0.422 7.448 10.309
76 1HG PRO 13 2HG PRO 13 2.411 8.190 10.338
77 2HG PRO 13 1HG PRO 13 1.561 7.049 11.369
78 1HD PRO 13 2HD PRO 13 3.361 6.395 9.266
79 2HD PRO 13 1HD PRO 13 2.301 5.264 10.125
80 H ASP 14 H ASP 14 2.348 8.162 7.477
81 HA ASP 14 HA ASP 14 0.938 9.900 5.534
82 1HB ASP 14 2HB ASP 14 2.648 10.875 7.085
83 2HB ASP 14 1HB ASP 14 3.867 9.798 6.429
84 H CYS 15 H CYS 15 0.603 7.436 4.734
85 HA CYS 15 HA CYS 15 2.544 6.132 3.224
86 1HB CYS 15 1HB CYS 15 0.677 4.991 2.190
87 2HB CYS 15 2HB CYS 15 0.461 5.126 3.904
88 1HN NH2 16 1H CYS 15 0.381 8.791 2.262
89 2HN NH2 16 2H CYS 15 1.051 9.018 0.720
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 -5.336 3.048 5.832
2 2H GLY 1 2HT GLY 1 -5.874 4.615 5.465
3 3H GLY 1 3HT GLY 1 -5.777 4.109 7.084
4 1HA GLY 1 1HA GLY 1 -3.900 5.417 6.837
5 2HA GLY 1 2HA GLY 1 -3.307 3.765 6.640
6 H CYS 2 H CYS 2 -4.096 3.138 4.136
7 HA CYS 2 HA CYS 2 -3.604 5.072 2.147
8 1HB CYS 2 2HB CYS 2 -1.258 4.865 2.990
9 2HB CYS 2 1HB CYS 2 -1.327 3.138 2.786
10 H CYS 3 H CYS 3 -2.996 1.707 2.869
11 HA CYS 3 HA CYS 3 -4.202 0.802 0.319
12 1HB CYS 3 2HB CYS 3 -2.000 0.047 0.999
13 2HB CYS 3 1HB CYS 3 -2.627 -0.540 2.503
14 H SER 4 H SER 4 -5.785 -0.895 0.314
15 HA SER 4 HA SER 4 -7.981 -0.442 1.963
16 1HB SER 4 2HB SER 4 -7.334 -2.798 0.136
17 2HB SER 4 1HB SER 4 -8.941 -2.424 0.772
18 HG SER 4 HG SER 4 -8.780 -0.379 -0.171
19 H TYR 5 H TYR 5 -5.715 -3.128 1.912
20 HA TYR 5 HA TYR 5 -6.877 -4.348 4.298
21 1HB TYR 5 2HB TYR 5 -4.542 -5.106 2.509
22 2HB TYR 5 1HB TYR 5 -5.138 -6.094 3.823
23 HD1 TYR 5 HD1 TYR 5 -7.407 -7.087 3.729
24 HD2 TYR 5 HD2 TYR 5 -5.840 -4.869 0.446
25 HE1 TYR 5 HE1 TYR 5 -9.162 -7.992 2.280
26 HE2 TYR 5 HE2 TYR 5 -7.597 -5.776 -1.001
27 HH TYR 5 HH TYR 5 -9.560 -8.395 -0.093
28 HA PRO 6 HA PRO 6 -3.815 -2.803 7.205
29 1HB PRO 6 2HB PRO 6 -3.638 -5.269 8.697
30 2HB PRO 6 1HB PRO 6 -4.485 -3.791 9.101
31 1HG PRO 6 2HG PRO 6 -5.673 -6.266 8.284
32 2HG PRO 6 1HG PRO 6 -6.484 -4.753 8.646
33 1HD PRO 6 2HD PRO 6 -6.014 -5.957 6.019
34 2HD PRO 6 1HD PRO 6 -6.992 -4.543 6.434
35 HA PRO 7 HA PRO 7 -0.173 -5.745 6.559
36 1HB PRO 7 2HB PRO 7 -0.421 -8.258 5.517
37 2HB PRO 7 1HB PRO 7 -0.709 -7.891 7.213
38 1HG PRO 7 2HG PRO 7 -2.688 -8.363 5.023
39 2HG PRO 7 1HG PRO 7 -2.807 -8.785 6.729
40 1HD PRO 7 2HD PRO 7 -4.004 -6.539 5.484
41 2HD PRO 7 1HD PRO 7 -3.800 -6.777 7.231
42 H CYS 8 H CYS 8 -0.266 -3.974 4.943
43 HA CYS 8 HA CYS 8 -0.094 -4.863 2.117
44 1HB CYS 8 1HB CYS 8 -0.624 -2.325 3.382
45 2HB CYS 8 2HB CYS 8 -0.425 -2.477 1.681
46 H PHE 9 H PHE 9 1.365 -3.189 0.894
47 HA PHE 9 HA PHE 9 4.068 -3.509 1.782
48 1HB PHE 9 2HB PHE 9 4.631 -2.262 -0.215
49 2HB PHE 9 1HB PHE 9 3.209 -3.192 -0.616
50 HD1 PHE 9 HD1 PHE 9 0.846 -1.912 -0.341
51 HD2 PHE 9 HD2 PHE 9 4.632 0.032 -0.544
52 HE1 PHE 9 HE1 PHE 9 -0.258 0.204 -0.908
53 HE2 PHE 9 HE2 PHE 9 3.525 2.139 -1.114
54 HZ PHE 9 HZ PHE 9 1.084 2.245 -1.287
55 H ALA 10 H ALA 10 1.647 -1.071 1.910
56 HA ALA 10 HA ALA 10 3.216 1.041 2.917
57 1HB ALA 10 1HB ALA 10 0.968 2.165 3.186
58 2HB ALA 10 2HB ALA 10 0.196 0.632 2.811
59 3HB ALA 10 3HB ALA 10 1.164 1.449 1.598
60 H THR 11 H THR 11 4.191 -0.217 4.598
61 HA THR 11 HA THR 11 2.558 -0.671 7.008
62 HB THR 11 HB THR 11 4.792 -1.554 7.971
63 HG1 THR 11 HG1 THR 11 5.619 -0.529 5.454
64 1HG2 THR 11 1HG2 THR 11 4.403 -2.459 5.059
65 2HG2 THR 11 2HG2 THR 11 3.479 -3.109 6.404
66 3HG2 THR 11 3HG2 THR 11 5.219 -3.354 6.329
67 H ASN 12 H ASN 12 3.059 1.836 5.826
68 HA ASN 12 HA ASN 12 2.573 3.905 6.905
69 1HB ASN 12 2HB ASN 12 3.365 3.197 9.101
70 2HB ASN 12 1HB ASN 12 5.026 3.227 8.528
71 1HD2 ASN 12 1HD2 ASN 12 2.201 5.339 9.122
72 2HD2 ASN 12 2HD2 ASN 12 3.097 6.763 9.345
73 HA PRO 13 HA PRO 13 6.710 5.563 5.307
74 1HB PRO 13 2HB PRO 13 8.615 3.793 4.347
75 2HB PRO 13 1HB PRO 13 8.540 4.386 6.000
76 1HG PRO 13 2HG PRO 13 7.860 1.704 4.970
77 2HG PRO 13 1HG PRO 13 8.213 2.203 6.615
78 1HD PRO 13 2HD PRO 13 5.590 1.709 5.466
79 2HD PRO 13 1HD PRO 13 5.986 2.243 7.109
80 H ASP 14 H ASP 14 6.027 2.620 3.499
81 HA ASP 14 HA ASP 14 6.332 3.918 0.909
82 1HB ASP 14 2HB ASP 14 5.465 1.112 1.673
83 2HB ASP 14 1HB ASP 14 5.859 1.672 0.060
84 H CYS 15 H CYS 15 4.790 5.078 0.035
85 HA CYS 15 HA CYS 15 2.245 4.192 -0.638
86 1HB CYS 15 2HB CYS 15 1.741 4.500 1.786
87 2HB CYS 15 1HB CYS 15 2.312 6.133 1.695
88 1HN NH2 16 1H CYS 15 4.195 7.069 0.138
89 2HN NH2 16 2H CYS 15 3.727 7.958 -1.231
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 -8.303 6.550 1.533
2 2H GLY 1 2HT GLY 1 -7.062 5.626 2.235
3 3H GLY 1 3HT GLY 1 -7.873 5.052 0.859
4 1HA GLY 1 1HA GLY 1 -6.940 6.729 -0.511
5 2HA GLY 1 2HA GLY 1 -6.256 7.534 0.904
6 H CYS 2 H CYS 2 -5.184 5.554 2.334
7 HA CYS 2 HA CYS 2 -2.842 4.869 0.872
8 1HB CYS 2 2HB CYS 2 -2.900 5.631 3.250
9 2HB CYS 2 1HB CYS 2 -3.743 4.176 3.684
10 H CYS 3 H CYS 3 -2.889 2.277 2.737
11 HA CYS 3 HA CYS 3 -4.034 0.485 0.656
12 1HB CYS 3 2HB CYS 3 -1.659 0.340 1.270
13 2HB CYS 3 1HB CYS 3 -2.087 0.031 2.921
14 H SER 4 H SER 4 -6.016 -0.091 1.064
15 HA SER 4 HA SER 4 -7.493 0.173 3.392
16 1HB SER 4 2HB SER 4 -8.498 -0.098 1.119
17 2HB SER 4 1HB SER 4 -7.966 -1.779 1.095
18 HG SER 4 HG SER 4 -9.234 -2.211 2.849
19 H TYR 5 H TYR 5 -5.915 -2.629 2.098
20 HA TYR 5 HA TYR 5 -6.780 -4.577 3.941
21 1HB TYR 5 2HB TYR 5 -4.227 -4.424 2.289
22 2HB TYR 5 1HB TYR 5 -4.873 -5.889 3.007
23 HD1 TYR 5 HD1 TYR 5 -5.267 -3.462 0.296
24 HD2 TYR 5 HD2 TYR 5 -7.084 -6.785 2.251
25 HE1 TYR 5 HE1 TYR 5 -6.769 -3.768 -1.609
26 HE2 TYR 5 HE2 TYR 5 -8.584 -7.084 0.342
27 HH TYR 5 HH TYR 5 -9.520 -5.441 -1.533
28 HA PRO 6 HA PRO 6 -4.044 -3.958 7.520
29 1HB PRO 6 2HB PRO 6 -3.999 -6.794 8.087
30 2HB PRO 6 1HB PRO 6 -4.842 -5.513 8.935
31 1HG PRO 6 2HG PRO 6 -5.998 -7.508 7.212
32 2HG PRO 6 1HG PRO 6 -6.819 -6.234 8.096
33 1HD PRO 6 2HD PRO 6 -6.340 -6.374 5.237
34 2HD PRO 6 1HD PRO 6 -7.199 -5.118 6.138
35 HA PRO 7 HA PRO 7 -0.433 -6.684 6.045
36 1HB PRO 7 2HB PRO 7 -0.712 -8.363 3.886
37 2HB PRO 7 1HB PRO 7 -1.024 -8.866 5.546
38 1HG PRO 7 2HG PRO 7 -2.958 -8.043 3.418
39 2HG PRO 7 1HG PRO 7 -3.133 -9.339 4.605
40 1HD PRO 7 2HD PRO 7 -4.332 -6.849 4.821
41 2HD PRO 7 1HD PRO 7 -3.937 -7.855 6.230
42 H CYS 8 H CYS 8 0.415 -4.856 5.395
43 HA CYS 8 HA CYS 8 0.462 -4.196 2.496
44 1HB CYS 8 2HB CYS 8 -0.064 -2.183 4.686
45 2HB CYS 8 1HB CYS 8 0.115 -1.807 3.000
46 H PHE 9 H PHE 9 1.916 -2.217 2.194
47 HA PHE 9 HA PHE 9 4.564 -3.008 2.796
48 1HB PHE 9 2HB PHE 9 5.119 -0.767 1.756
49 2HB PHE 9 1HB PHE 9 4.058 -1.755 0.777
50 HD1 PHE 9 HD1 PHE 9 1.881 -1.005 0.207
51 HD2 PHE 9 HD2 PHE 9 4.078 1.145 3.164
52 HE1 PHE 9 HE1 PHE 9 0.207 0.780 0.158
53 HE2 PHE 9 HE2 PHE 9 2.394 2.924 3.113
54 HZ PHE 9 HZ PHE 9 0.453 2.743 1.608
55 H ALA 10 H ALA 10 5.944 -2.437 4.286
56 HA ALA 10 HA ALA 10 5.096 -1.356 6.744
57 1HB ALA 10 1HB ALA 10 7.503 -1.558 7.393
58 2HB ALA 10 2HB ALA 10 7.908 -1.866 5.712
59 3HB ALA 10 3HB ALA 10 6.909 -3.007 6.599
60 H THR 11 H THR 11 7.056 -0.040 4.139
61 HA THR 11 HA THR 11 6.420 2.714 4.920
62 HB THR 11 HB THR 11 9.359 1.753 4.898
63 HG1 THR 11 HG1 THR 11 8.270 1.214 6.769
64 1HG2 THR 11 1HG2 THR 11 8.135 4.476 5.642
65 2HG2 THR 11 2HG2 THR 11 8.988 4.197 4.133
66 3HG2 THR 11 3HG2 THR 11 9.843 4.067 5.660
67 H ASN 12 H ASN 12 5.436 2.876 2.961
68 HA ASN 12 HA ASN 12 7.230 3.040 0.574
69 1HB ASN 12 2HB ASN 12 5.753 0.994 0.430
70 2HB ASN 12 1HB ASN 12 4.350 2.049 0.560
71 1HD2 ASN 12 1HD2 ASN 12 6.856 0.941 -1.606
72 2HD2 ASN 12 2HD2 ASN 12 6.272 1.741 -2.985
73 HA PRO 13 HA PRO 13 5.824 7.231 0.692
74 1HB PRO 13 2HB PRO 13 5.971 7.632 -2.169
75 2HB PRO 13 1HB PRO 13 7.101 8.155 -0.932
76 1HG PRO 13 2HG PRO 13 7.373 5.960 -2.811
77 2HG PRO 13 1HG PRO 13 8.569 6.592 -1.689
78 1HD PRO 13 2HD PRO 13 7.191 4.108 -1.479
79 2HD PRO 13 1HD PRO 13 8.227 4.841 -0.244
80 H ASP 14 H ASP 14 4.449 5.213 -1.836
81 HA ASP 14 HA ASP 14 2.064 6.786 -2.228
82 1HB ASP 14 2HB ASP 14 2.886 5.148 -3.921
83 2HB ASP 14 1HB ASP 14 2.573 3.825 -2.812
84 H CYS 15 H CYS 15 0.858 7.196 -0.521
85 HA CYS 15 HA CYS 15 -0.800 5.270 0.665
86 1HB CYS 15 2HB CYS 15 1.256 4.745 1.965
87 2HB CYS 15 1HB CYS 15 1.428 6.417 2.384
88 1HN NH2 16 1H CYS 15 0.703 8.469 1.246
89 2HN NH2 16 2H CYS 15 -0.757 9.278 1.556
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -8.457 5.503 3.477
2 2H GLY 1 2HT GLY 1 -7.634 4.148 2.866
3 3H GLY 1 3HT GLY 1 -8.043 5.431 1.831
4 1HA GLY 1 1HA GLY 1 -6.525 6.897 2.910
5 2HA GLY 1 2HA GLY 1 -6.184 5.663 4.128
6 H CYS 2 H CYS 2 -4.139 5.025 3.752
7 HA CYS 2 HA CYS 2 -2.764 5.065 1.341
8 1HB CYS 2 2HB CYS 2 -2.326 3.299 3.769
9 2HB CYS 2 1HB CYS 2 -1.154 3.583 2.520
10 H CYS 3 H CYS 3 -3.354 2.022 3.001
11 HA CYS 3 HA CYS 3 -4.139 0.683 0.457
12 1HB CYS 3 2HB CYS 3 -1.884 0.279 1.417
13 2HB CYS 3 1HB CYS 3 -2.628 -0.311 2.858
14 H SER 4 H SER 4 -5.840 -0.799 0.616
15 HA SER 4 HA SER 4 -7.855 -0.234 2.484
16 1HB SER 4 2HB SER 4 -8.364 -0.978 0.192
17 2HB SER 4 1HB SER 4 -7.615 -2.549 0.509
18 HG SER 4 HG SER 4 -9.146 -2.974 2.026
19 H TYR 5 H TYR 5 -5.941 -3.153 2.024
20 HA TYR 5 HA TYR 5 -6.972 -4.478 4.370
21 1HB TYR 5 2HB TYR 5 -4.649 -5.111 2.514
22 2HB TYR 5 1HB TYR 5 -5.285 -6.215 3.716
23 HD1 TYR 5 HD1 TYR 5 -7.624 -7.072 3.528
24 HD2 TYR 5 HD2 TYR 5 -5.885 -4.687 0.454
25 HE1 TYR 5 HE1 TYR 5 -9.390 -7.769 1.984
26 HE2 TYR 5 HE2 TYR 5 -7.655 -5.388 -1.085
27 HH TYR 5 HH TYR 5 -10.474 -6.708 -0.172
28 HA PRO 6 HA PRO 6 -3.842 -3.334 7.428
29 1HB PRO 6 2HB PRO 6 -3.662 -5.994 8.533
30 2HB PRO 6 1HB PRO 6 -4.477 -4.587 9.178
31 1HG PRO 6 2HG PRO 6 -5.691 -6.907 7.961
32 2HG PRO 6 1HG PRO 6 -6.482 -5.524 8.698
33 1HD PRO 6 2HD PRO 6 -6.309 -6.138 5.881
34 2HD PRO 6 1HD PRO 6 -7.074 -4.735 6.638
35 HA PRO 7 HA PRO 7 -0.304 -6.306 6.186
36 1HB PRO 7 2HB PRO 7 -0.766 -8.326 4.367
37 2HB PRO 7 1HB PRO 7 -0.882 -8.540 6.112
38 1HG PRO 7 2HG PRO 7 -3.056 -8.087 4.111
39 2HG PRO 7 1HG PRO 7 -3.064 -9.181 5.499
40 1HD PRO 7 2HD PRO 7 -4.314 -6.723 5.481
41 2HD PRO 7 1HD PRO 7 -3.675 -7.452 6.967
42 H CYS 8 H CYS 8 0.443 -4.616 5.177
43 HA CYS 8 HA CYS 8 0.355 -4.479 2.225
44 1HB CYS 8 2HB CYS 8 -0.368 -2.151 4.025
45 2HB CYS 8 1HB CYS 8 -0.186 -2.051 2.299
46 H PHE 9 H PHE 9 1.607 -2.171 1.801
47 HA PHE 9 HA PHE 9 4.352 -2.714 2.369
48 1HB PHE 9 2HB PHE 9 4.688 -0.626 1.050
49 2HB PHE 9 1HB PHE 9 3.622 -1.761 0.266
50 HD1 PHE 9 HD1 PHE 9 3.416 0.609 -0.953
51 HD2 PHE 9 HD2 PHE 9 1.582 -0.275 2.804
52 HE1 PHE 9 HE1 PHE 9 1.776 2.390 -1.312
53 HE2 PHE 9 HE2 PHE 9 -0.033 1.492 2.429
54 HZ PHE 9 HZ PHE 9 0.048 2.835 0.381
55 H ALA 10 H ALA 10 4.348 -2.714 4.666
56 HA ALA 10 HA ALA 10 3.701 -0.730 6.452
57 1HB ALA 10 1HB ALA 10 5.442 -1.746 7.927
58 2HB ALA 10 2HB ALA 10 6.080 -2.607 6.533
59 3HB ALA 10 3HB ALA 10 4.459 -2.953 7.114
60 H THR 11 H THR 11 6.260 -0.546 4.177
61 HA THR 11 HA THR 11 7.102 2.070 5.299
62 HB THR 11 HB THR 11 8.738 0.481 6.215
63 HG1 THR 11 HG1 THR 11 10.508 1.455 5.336
64 1HG2 THR 11 1HG2 THR 11 10.159 -0.944 4.793
65 2HG2 THR 11 2HG2 THR 11 9.336 -0.436 3.338
66 3HG2 THR 11 3HG2 THR 11 8.488 -1.406 4.526
67 H ASN 12 H ASN 12 5.844 2.896 3.639
68 HA ASN 12 HA ASN 12 7.225 2.988 1.007
69 1HB ASN 12 2HB ASN 12 5.329 1.417 0.810
70 2HB ASN 12 1HB ASN 12 4.223 2.644 1.410
71 1HD2 ASN 12 1HD2 ASN 12 3.998 4.637 0.039
72 2HD2 ASN 12 2HD2 ASN 12 4.229 4.514 -1.639
73 HA PRO 13 HA PRO 13 6.837 7.300 2.000
74 1HB PRO 13 2HB PRO 13 7.416 8.319 -0.566
75 2HB PRO 13 1HB PRO 13 8.588 7.929 0.685
76 1HG PRO 13 2HG PRO 13 7.927 6.433 -1.773
77 2HG PRO 13 1HG PRO 13 9.377 6.353 -0.782
78 1HD PRO 13 2HD PRO 13 7.298 4.425 -0.846
79 2HD PRO 13 1HD PRO 13 8.584 4.525 0.371
80 H ASP 14 H ASP 14 5.443 6.331 -1.080
81 HA ASP 14 HA ASP 14 3.268 8.325 -0.862
82 1HB ASP 14 2HB ASP 14 4.409 7.913 -3.052
83 2HB ASP 14 1HB ASP 14 3.901 6.235 -3.010
84 H CYS 15 H CYS 15 2.911 6.993 1.217
85 HA CYS 15 HA CYS 15 1.672 4.494 1.236
86 1HB CYS 15 2HB CYS 15 2.636 5.694 3.162
87 2HB CYS 15 1HB CYS 15 1.355 6.856 3.092
88 1HN NH2 16 1H CYS 15 -0.248 7.409 2.109
89 2HN NH2 16 2H CYS 15 -1.594 7.009 1.157
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 -6.733 6.649 3.563
2 2H GLY 1 2HT GLY 1 -5.103 6.927 3.175
3 3H GLY 1 3HT GLY 1 -5.633 7.099 4.779
4 1HA GLY 1 1HA GLY 1 -4.501 5.046 4.669
5 2HA GLY 1 2HA GLY 1 -6.228 4.696 4.765
6 H CYS 2 H CYS 2 -3.655 5.301 2.412
7 HA CYS 2 HA CYS 2 -4.759 4.446 0.062
8 1HB CYS 2 1HB CYS 2 -2.447 3.885 -0.604
9 2HB CYS 2 2HB CYS 2 -2.566 5.425 0.196
10 H CYS 3 H CYS 3 -2.826 2.329 2.157
11 HA CYS 3 HA CYS 3 -3.882 -0.080 0.814
12 1HB CYS 3 1HB CYS 3 -1.477 0.144 1.295
13 2HB CYS 3 2HB CYS 3 -1.806 0.325 2.996
14 H SER 4 H SER 4 -6.014 0.403 1.547
15 HA SER 4 HA SER 4 -6.982 0.595 4.129
16 1HB SER 4 2HB SER 4 -8.386 0.896 2.075
17 2HB SER 4 1HB SER 4 -8.296 -0.837 1.771
18 HG SER 4 HG SER 4 -9.046 0.008 4.323
19 H TYR 5 H TYR 5 -6.202 -2.218 2.265
20 HA TYR 5 HA TYR 5 -7.184 -4.220 4.031
21 1HB TYR 5 2HB TYR 5 -4.999 -4.349 1.908
22 2HB TYR 5 1HB TYR 5 -5.853 -5.729 2.575
23 HD1 TYR 5 HD1 TYR 5 -6.059 -2.923 0.255
24 HD2 TYR 5 HD2 TYR 5 -8.338 -5.965 2.182
25 HE1 TYR 5 HE1 TYR 5 -7.871 -2.586 -1.350
26 HE2 TYR 5 HE2 TYR 5 -10.150 -5.623 0.570
27 HH TYR 5 HH TYR 5 -9.767 -3.853 -2.282
28 HA PRO 6 HA PRO 6 -4.254 -4.175 7.312
29 1HB PRO 6 2HB PRO 6 -4.046 -7.066 7.537
30 2HB PRO 6 1HB PRO 6 -4.881 -5.926 8.576
31 1HG PRO 6 2HG PRO 6 -6.047 -7.736 6.677
32 2HG PRO 6 1HG PRO 6 -6.874 -6.592 7.720
33 1HD PRO 6 2HD PRO 6 -6.524 -6.412 4.859
34 2HD PRO 6 1HD PRO 6 -7.325 -5.247 5.927
35 HA PRO 7 HA PRO 7 -0.547 -6.728 5.789
36 1HB PRO 7 2HB PRO 7 -0.605 -7.997 3.350
37 2HB PRO 7 1HB PRO 7 -1.131 -8.756 4.851
38 1HG PRO 7 2HG PRO 7 -2.766 -7.491 2.692
39 2HG PRO 7 1HG PRO 7 -3.123 -8.961 3.607
40 1HD PRO 7 2HD PRO 7 -4.267 -6.484 4.105
41 2HD PRO 7 1HD PRO 7 -4.084 -7.726 5.362
42 H CYS 8 H CYS 8 0.407 -4.846 5.594
43 HA CYS 8 HA CYS 8 0.755 -3.615 2.879
44 1HB CYS 8 2HB CYS 8 0.479 -2.055 5.463
45 2HB CYS 8 1HB CYS 8 0.606 -1.407 3.850
46 H PHE 9 H PHE 9 2.601 -2.384 2.634
47 HA PHE 9 HA PHE 9 4.970 -3.638 3.646
48 1HB PHE 9 2HB PHE 9 6.078 -1.954 2.157
49 2HB PHE 9 1HB PHE 9 4.777 -2.786 1.354
50 HD1 PHE 9 HD1 PHE 9 3.185 -0.408 3.533
51 HD2 PHE 9 HD2 PHE 9 5.372 -0.692 -0.130
52 HE1 PHE 9 HE1 PHE 9 2.244 1.704 2.805
53 HE2 PHE 9 HE2 PHE 9 4.408 1.441 -0.845
54 HZ PHE 9 HZ PHE 9 2.844 2.639 0.618
55 H ALA 10 H ALA 10 5.998 -0.635 3.509
56 HA ALA 10 HA ALA 10 6.367 -0.370 6.326
57 1HB ALA 10 1HB ALA 10 8.210 0.093 4.767
58 2HB ALA 10 2HB ALA 10 7.829 1.564 5.646
59 3HB ALA 10 3HB ALA 10 7.284 1.361 3.988
60 H THR 11 H THR 11 5.790 2.383 4.288
61 HA THR 11 HA THR 11 3.136 3.093 4.752
62 HB THR 11 HB THR 11 3.596 3.135 7.236
63 HG1 THR 11 HG1 THR 11 2.980 5.240 7.543
64 1HG2 THR 11 1HG2 THR 11 5.248 4.670 8.215
65 2HG2 THR 11 2HG2 THR 11 5.761 5.238 6.641
66 3HG2 THR 11 3HG2 THR 11 6.110 3.592 7.132
67 H ASN 12 H ASN 12 4.564 3.348 2.609
68 HA ASN 12 HA ASN 12 6.178 5.592 2.171
69 1HB ASN 12 2HB ASN 12 4.251 4.198 0.262
70 2HB ASN 12 1HB ASN 12 5.533 5.271 -0.227
71 1HD2 ASN 12 1HD2 ASN 12 6.847 3.773 -1.317
72 2HD2 ASN 12 2HD2 ASN 12 7.577 2.439 -0.562
73 HA PRO 13 HA PRO 13 3.565 9.012 2.610
74 1HB PRO 13 2HB PRO 13 4.596 10.813 0.736
75 2HB PRO 13 1HB PRO 13 5.280 10.495 2.322
76 1HG PRO 13 2HG PRO 13 6.216 9.562 -0.335
77 2HG PRO 13 1HG PRO 13 7.135 9.794 1.146
78 1HD PRO 13 2HD PRO 13 6.297 7.299 0.112
79 2HD PRO 13 1HD PRO 13 6.858 7.587 1.770
80 H ASP 14 H ASP 14 4.178 8.941 -0.865
81 HA ASP 14 HA ASP 14 1.365 9.499 -1.477
82 1HB ASP 14 2HB ASP 14 3.846 9.169 -3.230
83 2HB ASP 14 1HB ASP 14 2.288 9.741 -3.787
84 H CYS 15 H CYS 15 1.677 7.094 -0.233
85 HA CYS 15 HA CYS 15 1.943 4.869 -1.922
86 1HB CYS 15 1HB CYS 15 0.973 3.641 -0.060
87 2HB CYS 15 2HB CYS 15 2.201 4.750 0.465
88 1HN NH2 16 1H CYS 15 0.017 3.227 -2.209
89 2HN NH2 16 2H CYS 15 -1.446 3.881 -2.768
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 -3.432 1.022 7.328
2 2H GLY 1 2HT GLY 1 -2.462 1.292 5.959
3 3H GLY 1 3HT GLY 1 -3.965 0.523 5.794
4 1HA GLY 1 1HA GLY 1 -5.116 2.521 6.445
5 2HA GLY 1 2HA GLY 1 -3.561 3.328 6.672
6 H CYS 2 H CYS 2 -2.072 3.030 4.693
7 HA CYS 2 HA CYS 2 -3.038 4.452 2.532
8 1HB CYS 2 2HB CYS 2 -0.944 3.785 1.430
9 2HB CYS 2 1HB CYS 2 -0.676 4.235 3.088
10 H CYS 3 H CYS 3 -3.152 1.072 3.129
11 HA CYS 3 HA CYS 3 -4.332 0.474 0.450
12 1HB CYS 3 2HB CYS 3 -2.165 -0.516 1.126
13 2HB CYS 3 1HB CYS 3 -2.951 -1.258 2.473
14 H SER 4 H SER 4 -6.185 -0.828 0.413
15 HA SER 4 HA SER 4 -8.174 -0.309 2.280
16 1HB SER 4 2HB SER 4 -8.668 -1.097 -0.036
17 2HB SER 4 1HB SER 4 -7.989 -2.685 0.349
18 HG SER 4 HG SER 4 -9.576 -3.029 1.800
19 H TYR 5 H TYR 5 -6.058 -3.078 1.933
20 HA TYR 5 HA TYR 5 -7.062 -4.366 4.371
21 1HB TYR 5 2HB TYR 5 -4.967 -5.193 2.319
22 2HB TYR 5 1HB TYR 5 -5.569 -6.200 3.620
23 HD1 TYR 5 HD1 TYR 5 -6.341 -4.741 0.359
24 HD2 TYR 5 HD2 TYR 5 -7.953 -6.970 3.614
25 HE1 TYR 5 HE1 TYR 5 -8.250 -5.389 -1.026
26 HE2 TYR 5 HE2 TYR 5 -9.860 -7.614 2.222
27 HH TYR 5 HH TYR 5 -10.722 -6.107 -0.535
28 HA PRO 6 HA PRO 6 -3.922 -2.487 6.898
29 1HB PRO 6 2HB PRO 6 -3.557 -4.895 8.511
30 2HB PRO 6 1HB PRO 6 -4.308 -3.369 8.938
31 1HG PRO 6 2HG PRO 6 -5.639 -5.828 8.399
32 2HG PRO 6 1HG PRO 6 -6.380 -4.265 8.698
33 1HD PRO 6 2HD PRO 6 -6.210 -5.705 6.171
34 2HD PRO 6 1HD PRO 6 -7.046 -4.181 6.514
35 HA PRO 7 HA PRO 7 -0.235 -5.401 6.417
36 1HB PRO 7 2HB PRO 7 -0.436 -7.912 5.370
37 2HB PRO 7 1HB PRO 7 -0.820 -7.537 7.045
38 1HG PRO 7 2HG PRO 7 -2.683 -7.984 4.746
39 2HG PRO 7 1HG PRO 7 -2.886 -8.444 6.434
40 1HD PRO 7 2HD PRO 7 -4.032 -6.176 5.192
41 2HD PRO 7 1HD PRO 7 -3.880 -6.420 6.944
42 H CYS 8 H CYS 8 -0.169 -3.642 4.812
43 HA CYS 8 HA CYS 8 0.776 -4.652 2.187
44 1HB CYS 8 2HB CYS 8 -0.939 -2.177 2.221
45 2HB CYS 8 1HB CYS 8 -0.476 -3.160 0.875
46 H PHE 9 H PHE 9 2.821 -3.581 1.998
47 HA PHE 9 HA PHE 9 2.934 -0.787 3.003
48 1HB PHE 9 2HB PHE 9 3.713 -2.561 4.759
49 2HB PHE 9 1HB PHE 9 5.014 -2.895 3.624
50 HD1 PHE 9 HD1 PHE 9 3.320 -0.317 5.623
51 HD2 PHE 9 HD2 PHE 9 6.919 -1.196 3.510
52 HE1 PHE 9 HE1 PHE 9 4.328 1.724 6.511
53 HE2 PHE 9 HE2 PHE 9 7.925 0.861 4.406
54 HZ PHE 9 HZ PHE 9 6.606 2.328 5.907
55 H ALA 10 H ALA 10 2.587 -1.005 0.602
56 HA ALA 10 HA ALA 10 4.431 -1.821 -1.277
57 1HB ALA 10 1HB ALA 10 3.370 -0.122 -2.768
58 2HB ALA 10 2HB ALA 10 2.609 0.601 -1.358
59 3HB ALA 10 3HB ALA 10 2.191 -1.036 -1.842
60 H THR 11 H THR 11 4.812 0.786 0.878
61 HA THR 11 HA THR 11 6.449 2.440 1.146
62 HB THR 11 HB THR 11 8.139 0.493 -0.567
63 HG1 THR 11 HG1 THR 11 6.851 0.125 1.660
64 1HG2 THR 11 1HG2 THR 11 10.002 1.436 0.777
65 2HG2 THR 11 2HG2 THR 11 8.891 2.426 1.708
66 3HG2 THR 11 3HG2 THR 11 9.201 2.802 0.022
67 H ASN 12 H ASN 12 4.708 3.342 -0.347
68 HA ASN 12 HA ASN 12 6.074 5.045 -2.211
69 1HB ASN 12 2HB ASN 12 5.816 3.051 -3.670
70 2HB ASN 12 1HB ASN 12 4.090 3.018 -3.396
71 1HD2 ASN 12 1HD2 ASN 12 6.689 4.789 -5.016
72 2HD2 ASN 12 2HD2 ASN 12 5.672 5.698 -6.027
73 HA PRO 13 HA PRO 13 1.602 6.547 -2.265
74 1HB PRO 13 2HB PRO 13 -0.126 5.308 -0.370
75 2HB PRO 13 1HB PRO 13 -0.123 5.060 -2.110
76 1HG PRO 13 2HG PRO 13 0.699 3.193 -0.074
77 2HG PRO 13 1HG PRO 13 0.672 2.947 -1.812
78 1HD PRO 13 2HD PRO 13 2.993 3.505 -0.079
79 2HD PRO 13 1HD PRO 13 2.985 2.954 -1.760
80 H ASP 14 H ASP 14 2.127 5.244 0.941
81 HA ASP 14 HA ASP 14 3.246 7.528 2.154
82 1HB ASP 14 2HB ASP 14 0.862 8.433 1.814
83 2HB ASP 14 1HB ASP 14 0.253 7.088 2.750
84 H CYS 15 H CYS 15 3.553 4.770 1.963
85 HA CYS 15 HA CYS 15 3.921 4.081 4.693
86 1HB CYS 15 2HB CYS 15 2.943 1.853 4.129
87 2HB CYS 15 1HB CYS 15 1.795 3.097 4.495
88 1HN NH2 16 1H CYS 15 6.098 4.565 3.559
89 2HN NH2 16 2H CYS 15 6.887 3.236 2.856
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 -5.179 7.102 -1.586
2 2H GLY 1 2HT GLY 1 -6.008 5.627 -1.453
3 3H GLY 1 3HT GLY 1 -5.858 6.384 -2.967
4 1HA GLY 1 1HA GLY 1 -4.214 4.869 -3.196
5 2HA GLY 1 2HA GLY 1 -3.311 6.176 -2.430
6 H CYS 2 H CYS 2 -4.664 5.820 0.127
7 HA CYS 2 HA CYS 2 -2.899 4.309 1.552
8 1HB CYS 2 2HB CYS 2 -5.807 4.859 2.110
9 2HB CYS 2 1HB CYS 2 -4.688 4.253 3.301
10 H CYS 3 H CYS 3 -2.640 2.342 2.284
11 HA CYS 3 HA CYS 3 -3.938 0.100 0.924
12 1HB CYS 3 2HB CYS 3 -1.518 0.169 1.316
13 2HB CYS 3 1HB CYS 3 -1.766 0.283 3.034
14 H SER 4 H SER 4 -6.051 0.403 1.718
15 HA SER 4 HA SER 4 -6.889 0.511 4.360
16 1HB SER 4 2HB SER 4 -8.293 -0.617 1.898
17 2HB SER 4 1HB SER 4 -9.101 -0.171 3.409
18 HG SER 4 HG SER 4 -7.498 1.496 1.775
19 H TYR 5 H TYR 5 -6.053 -2.229 2.396
20 HA TYR 5 HA TYR 5 -7.167 -4.295 4.011
21 1HB TYR 5 1HB TYR 5 -4.836 -4.319 2.042
22 2HB TYR 5 2HB TYR 5 -5.653 -5.751 2.639
23 HD1 TYR 5 HD1 TYR 5 -7.978 -6.252 1.990
24 HD2 TYR 5 HD2 TYR 5 -5.972 -2.825 0.437
25 HE1 TYR 5 HE1 TYR 5 -9.704 -6.015 0.271
26 HE2 TYR 5 HE2 TYR 5 -7.703 -2.595 -1.279
27 HH TYR 5 HH TYR 5 -9.366 -3.899 -2.404
28 HA PRO 6 HA PRO 6 -4.309 -4.643 7.394
29 1HB PRO 6 2HB PRO 6 -4.045 -7.536 7.256
30 2HB PRO 6 1HB PRO 6 -4.935 -6.554 8.402
31 1HG PRO 6 2HG PRO 6 -6.020 -8.140 6.275
32 2HG PRO 6 1HG PRO 6 -6.893 -7.130 7.414
33 1HD PRO 6 2HD PRO 6 -6.427 -6.623 4.599
34 2HD PRO 6 1HD PRO 6 -7.337 -5.630 5.748
35 HA PRO 7 HA PRO 7 -0.495 -6.834 5.584
36 1HB PRO 7 2HB PRO 7 -0.526 -7.857 3.032
37 2HB PRO 7 1HB PRO 7 -0.984 -8.788 4.456
38 1HG PRO 7 2HG PRO 7 -2.722 -7.414 2.455
39 2HG PRO 7 1HG PRO 7 -2.979 -8.984 3.223
40 1HD PRO 7 2HD PRO 7 -4.255 -6.645 3.985
41 2HD PRO 7 1HD PRO 7 -3.967 -7.992 5.106
42 H CYS 8 H CYS 8 0.355 -4.896 5.567
43 HA CYS 8 HA CYS 8 0.665 -3.414 2.984
44 1HB CYS 8 2HB CYS 8 0.041 -2.136 5.658
45 2HB CYS 8 1HB CYS 8 0.299 -1.291 4.153
46 H PHE 9 H PHE 9 2.228 -1.664 3.218
47 HA PHE 9 HA PHE 9 4.788 -2.751 3.838
48 1HB PHE 9 2HB PHE 9 5.573 -0.545 3.017
49 2HB PHE 9 1HB PHE 9 4.337 -1.188 1.969
50 HD1 PHE 9 HD1 PHE 9 2.263 -0.092 4.531
51 HD2 PHE 9 HD2 PHE 9 4.974 1.533 1.656
52 HE1 PHE 9 HE1 PHE 9 1.108 2.039 4.643
53 HE2 PHE 9 HE2 PHE 9 3.795 3.675 1.782
54 HZ PHE 9 HZ PHE 9 1.859 3.939 3.277
55 H ALA 10 H ALA 10 5.085 0.345 4.808
56 HA ALA 10 HA ALA 10 5.672 -0.334 7.515
57 1HB ALA 10 1HB ALA 10 5.809 2.309 6.026
58 2HB ALA 10 2HB ALA 10 7.133 1.175 6.246
59 3HB ALA 10 3HB ALA 10 6.483 2.039 7.627
60 H THR 11 H THR 11 2.836 0.003 6.291
61 HA THR 11 HA THR 11 0.755 0.926 6.794
62 HB THR 11 HB THR 11 0.994 -1.023 8.339
63 HG1 THR 11 HG1 THR 11 -0.442 -0.141 9.951
64 1HG2 THR 11 1HG2 THR 11 1.627 -0.713 10.702
65 2HG2 THR 11 2HG2 THR 11 1.965 0.989 10.449
66 3HG2 THR 11 3HG2 THR 11 2.995 -0.234 9.723
67 H ASN 12 H ASN 12 2.429 2.962 6.438
68 HA ASN 12 HA ASN 12 2.739 4.873 8.480
69 1HB ASN 12 2HB ASN 12 3.895 5.006 6.312
70 2HB ASN 12 1HB ASN 12 2.367 5.292 5.490
71 1HD2 ASN 12 1HD2 ASN 12 4.585 6.710 7.913
72 2HD2 ASN 12 2HD2 ASN 12 4.094 8.314 7.659
73 HA PRO 13 HA PRO 13 -1.561 6.045 9.032
74 1HB PRO 13 2HB PRO 13 -1.103 8.300 10.620
75 2HB PRO 13 1HB PRO 13 -1.224 6.647 11.205
76 1HG PRO 13 2HG PRO 13 1.196 8.324 10.830
77 2HG PRO 13 1HG PRO 13 0.945 6.962 11.915
78 1HD PRO 13 2HD PRO 13 2.400 6.889 9.491
79 2HD PRO 13 1HD PRO 13 1.821 5.470 10.384
80 H ASP 14 H ASP 14 0.894 8.336 8.055
81 HA ASP 14 HA ASP 14 -1.067 10.172 6.836
82 1HB ASP 14 2HB ASP 14 0.948 11.031 8.072
83 2HB ASP 14 1HB ASP 14 1.992 10.220 6.922
84 H CYS 15 H CYS 15 -1.172 7.643 5.823
85 HA CYS 15 HA CYS 15 0.294 7.074 3.525
86 1HB CYS 15 1HB CYS 15 -1.592 5.559 3.012
87 2HB CYS 15 2HB CYS 15 -1.042 5.428 4.655
88 1HN NH2 16 1H CYS 15 -0.751 6.969 1.223
89 2HN NH2 16 2H CYS 15 -1.580 8.355 0.697
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 -8.181 3.351 3.265
2 2H GLY 1 2HT GLY 1 -8.597 4.893 2.693
3 3H GLY 1 3HT GLY 1 -8.579 4.585 4.363
4 1HA GLY 1 1HA GLY 1 -6.627 5.858 3.568
5 2HA GLY 1 2HA GLY 1 -6.223 4.343 4.380
6 H CYS 2 H CYS 2 -4.252 5.085 2.927
7 HA CYS 2 HA CYS 2 -4.177 4.714 0.169
8 1HB CYS 2 2HB CYS 2 -2.360 5.615 1.680
9 2HB CYS 2 1HB CYS 2 -2.017 3.990 2.191
10 H CYS 3 H CYS 3 -3.075 2.395 2.611
11 HA CYS 3 HA CYS 3 -3.793 0.096 0.874
12 1HB CYS 3 2HB CYS 3 -1.487 0.321 1.651
13 2HB CYS 3 1HB CYS 3 -2.008 0.378 3.305
14 H SER 4 H SER 4 -6.010 0.249 1.334
15 HA SER 4 HA SER 4 -7.246 0.438 3.806
16 1HB SER 4 2HB SER 4 -8.153 -0.976 1.256
17 2HB SER 4 1HB SER 4 -9.225 -0.522 2.590
18 HG SER 4 HG SER 4 -8.408 1.630 2.354
19 H TYR 5 H TYR 5 -5.972 -2.359 2.154
20 HA TYR 5 HA TYR 5 -7.068 -4.318 3.965
21 1HB TYR 5 2HB TYR 5 -4.846 -4.467 1.891
22 2HB TYR 5 1HB TYR 5 -5.538 -5.856 2.703
23 HD1 TYR 5 HD1 TYR 5 -7.842 -6.581 2.210
24 HD2 TYR 5 HD2 TYR 5 -6.178 -3.184 0.246
25 HE1 TYR 5 HE1 TYR 5 -9.670 -6.621 0.586
26 HE2 TYR 5 HE2 TYR 5 -8.010 -3.229 -1.376
27 HH TYR 5 HH TYR 5 -10.537 -5.724 -1.237
28 HA PRO 6 HA PRO 6 -4.209 -3.885 7.309
29 1HB PRO 6 2HB PRO 6 -4.049 -6.726 7.883
30 2HB PRO 6 1HB PRO 6 -4.919 -5.468 8.740
31 1HG PRO 6 2HG PRO 6 -6.013 -7.489 7.009
32 2HG PRO 6 1HG PRO 6 -6.875 -6.252 7.910
33 1HD PRO 6 2HD PRO 6 -6.456 -6.359 5.059
34 2HD PRO 6 1HD PRO 6 -7.271 -5.089 5.983
35 HA PRO 7 HA PRO 7 -0.477 -6.572 6.098
36 1HB PRO 7 2HB PRO 7 -0.557 -8.206 3.896
37 2HB PRO 7 1HB PRO 7 -1.052 -8.736 5.502
38 1HG PRO 7 2HG PRO 7 -2.740 -7.845 3.195
39 2HG PRO 7 1HG PRO 7 -3.063 -9.152 4.338
40 1HD PRO 7 2HD PRO 7 -4.228 -6.632 4.455
41 2HD PRO 7 1HD PRO 7 -4.025 -7.676 5.877
42 H CYS 8 H CYS 8 0.417 -4.713 5.576
43 HA CYS 8 HA CYS 8 0.370 -3.772 2.730
44 1HB CYS 8 2HB CYS 8 0.747 -2.151 5.259
45 2HB CYS 8 1HB CYS 8 0.702 -1.514 3.629
46 H PHE 9 H PHE 9 2.133 -4.084 1.719
47 HA PHE 9 HA PHE 9 4.557 -5.069 2.595
48 1HB PHE 9 2HB PHE 9 5.390 -4.334 0.348
49 2HB PHE 9 1HB PHE 9 3.805 -5.073 0.245
50 HD1 PHE 9 HD1 PHE 9 5.713 -2.030 -0.292
51 HD2 PHE 9 HD2 PHE 9 1.746 -3.563 0.043
52 HE1 PHE 9 HE1 PHE 9 4.827 0.013 -1.315
53 HE2 PHE 9 HE2 PHE 9 0.874 -1.519 -0.972
54 HZ PHE 9 HZ PHE 9 2.406 0.277 -1.651
55 H ALA 10 H ALA 10 3.888 -1.673 1.877
56 HA ALA 10 HA ALA 10 6.412 -0.688 2.631
57 1HB ALA 10 1HB ALA 10 3.732 0.728 2.525
58 2HB ALA 10 2HB ALA 10 4.871 0.592 1.193
59 3HB ALA 10 3HB ALA 10 5.287 1.546 2.605
60 H THR 11 H THR 11 3.527 -1.364 4.363
61 HA THR 11 HA THR 11 2.898 -1.299 6.584
62 HB THR 11 HB THR 11 5.979 -1.392 7.066
63 HG1 THR 11 HG1 THR 11 4.903 -2.937 5.595
64 1HG2 THR 11 1HG2 THR 11 3.662 -2.624 8.671
65 2HG2 THR 11 2HG2 THR 11 4.487 -1.169 9.197
66 3HG2 THR 11 3HG2 THR 11 5.368 -2.680 9.084
67 H ASN 12 H ASN 12 3.194 1.013 5.116
68 HA ASN 12 HA ASN 12 3.656 3.097 7.158
69 1HB ASN 12 2HB ASN 12 4.097 3.111 4.152
70 2HB ASN 12 1HB ASN 12 4.232 4.515 5.167
71 1HD2 ASN 12 1HD2 ASN 12 6.344 3.181 3.546
72 2HD2 ASN 12 2HD2 ASN 12 7.576 2.749 4.630
73 HA PRO 13 HA PRO 13 -0.491 4.547 5.937
74 1HB PRO 13 2HB PRO 13 0.148 7.327 5.953
75 2HB PRO 13 1HB PRO 13 -0.613 6.415 7.245
76 1HG PRO 13 2HG PRO 13 2.117 7.441 7.105
77 2HG PRO 13 1HG PRO 13 1.280 6.743 8.481
78 1HD PRO 13 2HD PRO 13 3.340 5.513 6.904
79 2HD PRO 13 1HD PRO 13 2.415 4.759 8.214
80 H ASP 14 H ASP 14 2.485 5.727 4.596
81 HA ASP 14 HA ASP 14 1.325 6.453 1.997
82 1HB ASP 14 2HB ASP 14 4.164 6.566 3.114
83 2HB ASP 14 1HB ASP 14 3.642 7.264 1.593
84 H CYS 15 H CYS 15 0.638 4.159 1.700
85 HA CYS 15 HA CYS 15 2.473 2.051 1.414
86 1HB CYS 15 1HB CYS 15 0.665 0.858 0.431
87 2HB CYS 15 2HB CYS 15 0.052 1.823 1.736
88 1HN NH2 16 1H CYS 15 0.832 3.895 -1.231
89 2HN NH2 16 2H CYS 15 2.080 3.672 -2.356
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 -4.758 4.023 4.656
2 2H GLY 1 2HT GLY 1 -5.658 5.189 5.503
3 3H GLY 1 3HT GLY 1 -4.088 5.553 4.964
4 1HA GLY 1 1HA GLY 1 -6.579 5.724 3.573
5 2HA GLY 1 2HA GLY 1 -5.022 6.464 3.189
6 H CYS 2 H CYS 2 -3.571 5.365 1.872
7 HA CYS 2 HA CYS 2 -4.541 3.840 -0.218
8 1HB CYS 2 1HB CYS 2 -2.193 3.431 -0.754
9 2HB CYS 2 2HB CYS 2 -2.441 5.088 -0.287
10 H CYS 3 H CYS 3 -3.270 2.822 2.854
11 HA CYS 3 HA CYS 3 -3.165 -0.022 2.155
12 1HB CYS 3 2HB CYS 3 -1.524 0.925 3.695
13 2HB CYS 3 1HB CYS 3 -2.785 1.464 4.774
14 H SER 4 H SER 4 -5.484 0.086 1.478
15 HA SER 4 HA SER 4 -7.595 0.363 3.292
16 1HB SER 4 2HB SER 4 -7.402 -1.235 0.689
17 2HB SER 4 1HB SER 4 -8.914 -0.784 1.493
18 HG SER 4 HG SER 4 -8.572 0.928 0.258
19 H TYR 5 H TYR 5 -5.770 -2.435 2.198
20 HA TYR 5 HA TYR 5 -7.157 -4.312 3.955
21 1HB TYR 5 2HB TYR 5 -4.789 -4.626 2.064
22 2HB TYR 5 1HB TYR 5 -5.641 -5.943 2.841
23 HD1 TYR 5 HD1 TYR 5 -5.778 -3.453 0.174
24 HD2 TYR 5 HD2 TYR 5 -8.018 -6.435 2.235
25 HE1 TYR 5 HE1 TYR 5 -7.436 -3.454 -1.626
26 HE2 TYR 5 HE2 TYR 5 -9.672 -6.433 0.433
27 HH TYR 5 HH TYR 5 -9.949 -4.054 -1.811
28 HA PRO 6 HA PRO 6 -4.293 -4.015 7.345
29 1HB PRO 6 2HB PRO 6 -3.983 -6.874 7.748
30 2HB PRO 6 1HB PRO 6 -4.906 -5.716 8.683
31 1HG PRO 6 2HG PRO 6 -5.942 -7.696 6.898
32 2HG PRO 6 1HG PRO 6 -6.846 -6.488 7.794
33 1HD PRO 6 2HD PRO 6 -6.302 -6.543 4.937
34 2HD PRO 6 1HD PRO 6 -7.292 -5.389 5.843
35 HA PRO 7 HA PRO 7 -0.434 -6.404 6.074
36 1HB PRO 7 2HB PRO 7 -0.373 -8.183 4.015
37 2HB PRO 7 1HB PRO 7 -0.956 -8.617 5.621
38 1HG PRO 7 2HG PRO 7 -2.529 -7.912 3.164
39 2HG PRO 7 1HG PRO 7 -2.878 -9.165 4.355
40 1HD PRO 7 2HD PRO 7 -4.096 -6.640 4.283
41 2HD PRO 7 1HD PRO 7 -3.988 -7.655 5.736
42 H CYS 8 H CYS 8 0.331 -4.449 5.438
43 HA CYS 8 HA CYS 8 0.405 -3.893 2.492
44 1HB CYS 8 2HB CYS 8 0.272 -1.876 4.721
45 2HB CYS 8 1HB CYS 8 0.403 -1.502 3.022
46 H PHE 9 H PHE 9 2.199 -3.781 1.599
47 HA PHE 9 HA PHE 9 4.766 -3.990 2.896
48 1HB PHE 9 2HB PHE 9 5.609 -4.016 0.584
49 2HB PHE 9 1HB PHE 9 4.143 -4.973 0.627
50 HD1 PHE 9 HD1 PHE 9 5.730 -2.028 -0.701
51 HD2 PHE 9 HD2 PHE 9 1.913 -3.853 -0.147
52 HE1 PHE 9 HE1 PHE 9 4.750 -0.479 -2.306
53 HE2 PHE 9 HE2 PHE 9 0.938 -2.285 -1.753
54 HZ PHE 9 HZ PHE 9 2.344 -0.574 -2.829
55 H ALA 10 H ALA 10 2.697 -1.504 2.201
56 HA ALA 10 HA ALA 10 4.070 0.668 1.292
57 1HB ALA 10 1HB ALA 10 2.339 1.988 2.511
58 2HB ALA 10 2HB ALA 10 1.896 0.536 3.396
59 3HB ALA 10 3HB ALA 10 1.684 0.595 1.656
60 H THR 11 H THR 11 6.166 0.574 2.050
61 HA THR 11 HA THR 11 6.656 1.418 4.858
62 HB THR 11 HB THR 11 8.674 0.642 2.624
63 HG1 THR 11 HG1 THR 11 7.747 -1.202 3.061
64 1HG2 THR 11 1HG2 THR 11 8.958 0.556 5.693
65 2HG2 THR 11 2HG2 THR 11 9.690 1.828 4.735
66 3HG2 THR 11 3HG2 THR 11 10.206 0.168 4.522
67 H ASN 12 H ASN 12 5.460 2.917 2.819
68 HA ASN 12 HA ASN 12 5.125 5.256 2.840
69 1HB ASN 12 2HB ASN 12 7.188 5.759 4.034
70 2HB ASN 12 1HB ASN 12 8.114 5.391 2.587
71 1HD2 ASN 12 1HD2 ASN 12 5.555 7.629 3.755
72 2HD2 ASN 12 2HD2 ASN 12 6.000 8.914 2.738
73 HA PRO 13 HA PRO 13 7.221 6.155 -1.247
74 1HB PRO 13 2HB PRO 13 8.538 4.157 -2.672
75 2HB PRO 13 1HB PRO 13 9.319 5.196 -1.483
76 1HG PRO 13 2HG PRO 13 8.407 2.359 -1.203
77 2HG PRO 13 1HG PRO 13 9.757 3.173 -0.417
78 1HD PRO 13 2HD PRO 13 7.258 2.645 0.814
79 2HD PRO 13 1HD PRO 13 8.440 3.847 1.365
80 H ASP 14 H ASP 14 6.077 2.865 -1.460
81 HA ASP 14 HA ASP 14 4.177 3.736 -3.598
82 1HB ASP 14 2HB ASP 14 5.980 2.350 -4.584
83 2HB ASP 14 1HB ASP 14 5.683 1.089 -3.405
84 H CYS 15 H CYS 15 2.196 3.337 -3.201
85 HA CYS 15 HA CYS 15 1.080 1.129 -1.880
86 1HB CYS 15 2HB CYS 15 2.069 2.216 0.127
87 2HB CYS 15 1HB CYS 15 1.274 3.687 -0.291
88 1HN NH2 16 1H CYS 15 -1.053 1.005 -2.567
89 2HN NH2 16 2H CYS 15 -1.952 2.316 -3.158
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 -5.329 7.007 6.103
2 2H GLY 1 2HT GLY 1 -5.570 7.023 4.421
3 3H GLY 1 3HT GLY 1 -4.159 7.698 5.083
4 1HA GLY 1 1HA GLY 1 -3.443 5.530 5.850
5 2HA GLY 1 2HA GLY 1 -4.912 4.830 5.163
6 H CYS 2 H CYS 2 -4.290 3.714 3.414
7 HA CYS 2 HA CYS 2 -3.354 4.977 1.082
8 1HB CYS 2 2HB CYS 2 -1.158 4.847 2.276
9 2HB CYS 2 1HB CYS 2 -1.382 3.140 2.517
10 H CYS 3 H CYS 3 -2.938 1.850 2.588
11 HA CYS 3 HA CYS 3 -4.354 0.477 0.347
12 1HB CYS 3 2HB CYS 3 -1.962 0.070 0.784
13 2HB CYS 3 1HB CYS 3 -2.336 -0.403 2.400
14 H SER 4 H SER 4 -6.272 -0.377 0.805
15 HA SER 4 HA SER 4 -7.697 0.054 3.139
16 1HB SER 4 2HB SER 4 -8.175 -1.935 0.877
17 2HB SER 4 1HB SER 4 -9.393 -1.453 2.067
18 HG SER 4 HG SER 4 -7.901 0.281 0.397
19 H TYR 5 H TYR 5 -6.073 -2.843 2.053
20 HA TYR 5 HA TYR 5 -6.966 -4.508 4.216
21 1HB TYR 5 2HB TYR 5 -4.649 -4.820 2.264
22 2HB TYR 5 1HB TYR 5 -5.282 -6.098 3.281
23 HD1 TYR 5 HD1 TYR 5 -5.613 -4.505 0.131
24 HD2 TYR 5 HD2 TYR 5 -7.884 -6.523 3.120
25 HE1 TYR 5 HE1 TYR 5 -7.370 -4.968 -1.510
26 HE2 TYR 5 HE2 TYR 5 -9.639 -6.982 1.475
27 HH TYR 5 HH TYR 5 -10.345 -5.672 -0.869
28 HA PRO 6 HA PRO 6 -3.938 -3.538 7.398
29 1HB PRO 6 2HB PRO 6 -3.716 -6.282 8.281
30 2HB PRO 6 1HB PRO 6 -4.548 -4.941 9.040
31 1HG PRO 6 2HG PRO 6 -5.735 -7.162 7.645
32 2HG PRO 6 1HG PRO 6 -6.550 -5.824 8.434
33 1HD PRO 6 2HD PRO 6 -6.273 -6.279 5.582
34 2HD PRO 6 1HD PRO 6 -7.100 -4.946 6.396
35 HA PRO 7 HA PRO 7 -0.305 -6.358 6.104
36 1HB PRO 7 2HB PRO 7 -0.630 -8.288 4.172
37 2HB PRO 7 1HB PRO 7 -0.901 -8.589 5.885
38 1HG PRO 7 2HG PRO 7 -2.899 -8.042 3.722
39 2HG PRO 7 1HG PRO 7 -3.032 -9.174 5.070
40 1HD PRO 7 2HD PRO 7 -4.229 -6.667 4.991
41 2HD PRO 7 1HD PRO 7 -3.815 -7.503 6.504
42 H CYS 8 H CYS 8 0.187 -4.396 5.299
43 HA CYS 8 HA CYS 8 0.561 -4.179 2.374
44 1HB CYS 8 2HB CYS 8 -0.751 -2.009 4.015
45 2HB CYS 8 1HB CYS 8 -0.356 -1.915 2.328
46 H PHE 9 H PHE 9 1.865 -2.130 1.895
47 HA PHE 9 HA PHE 9 4.161 -2.082 3.685
48 1HB PHE 9 2HB PHE 9 5.145 -0.689 1.904
49 2HB PHE 9 1HB PHE 9 4.363 -2.068 1.171
50 HD1 PHE 9 HD1 PHE 9 2.068 -1.739 0.067
51 HD2 PHE 9 HD2 PHE 9 4.430 1.531 1.447
52 HE1 PHE 9 HE1 PHE 9 0.734 -0.193 -1.291
53 HE2 PHE 9 HE2 PHE 9 3.103 3.067 0.081
54 HZ PHE 9 HZ PHE 9 1.246 2.212 -1.289
55 H ALA 10 H ALA 10 4.426 -0.589 5.257
56 HA ALA 10 HA ALA 10 2.396 1.322 5.821
57 1HB ALA 10 1HB ALA 10 5.052 0.734 7.169
58 2HB ALA 10 2HB ALA 10 3.493 0.057 7.604
59 3HB ALA 10 3HB ALA 10 3.805 1.766 7.853
60 H THR 11 H THR 11 2.979 2.371 3.564
61 HA THR 11 HA THR 11 3.888 4.127 2.312
62 HB THR 11 HB THR 11 3.873 5.393 5.144
63 HG1 THR 11 HG1 THR 11 1.759 5.752 4.608
64 1HG2 THR 11 1HG2 THR 11 3.421 7.519 3.943
65 2HG2 THR 11 2HG2 THR 11 3.411 6.705 2.396
66 3HG2 THR 11 3HG2 THR 11 4.914 6.898 3.273
67 H ASN 12 H ASN 12 5.617 2.165 3.000
68 HA ASN 12 HA ASN 12 8.069 3.046 4.127
69 1HB ASN 12 2HB ASN 12 7.416 0.625 2.401
70 2HB ASN 12 1HB ASN 12 8.913 0.851 3.276
71 1HD2 ASN 12 1HD2 ASN 12 6.256 -0.902 3.563
72 2HD2 ASN 12 2HD2 ASN 12 5.990 -0.849 5.238
73 HA PRO 13 HA PRO 13 9.714 3.934 -0.206
74 1HB PRO 13 2HB PRO 13 7.774 4.321 -2.193
75 2HB PRO 13 1HB PRO 13 8.745 2.871 -2.009
76 1HG PRO 13 2HG PRO 13 5.890 3.244 -1.443
77 2HG PRO 13 1HG PRO 13 6.796 1.740 -1.555
78 1HD PRO 13 2HD PRO 13 5.920 3.124 0.856
79 2HD PRO 13 1HD PRO 13 6.784 1.582 0.759
80 H ASP 14 H ASP 14 6.441 4.988 -0.204
81 HA ASP 14 HA ASP 14 6.071 7.172 1.244
82 1HB ASP 14 2HB ASP 14 8.053 8.229 0.151
83 2HB ASP 14 1HB ASP 14 7.294 8.114 -1.424
84 H CYS 15 H CYS 15 4.148 5.932 0.905
85 HA CYS 15 HA CYS 15 2.814 5.283 -1.401
86 1HB CYS 15 2HB CYS 15 1.935 4.681 0.769
87 2HB CYS 15 1HB CYS 15 1.626 6.332 1.190
88 1HN NH2 16 1H CYS 15 1.548 6.341 -2.976
89 2HN NH2 16 2H CYS 15 1.305 8.020 -3.025
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 -7.714 3.081 1.680
2 2H GLY 1 2HT GLY 1 -8.501 4.579 1.518
3 3H GLY 1 3HT GLY 1 -6.942 4.506 2.190
4 1HA GLY 1 1HA GLY 1 -7.593 3.723 -0.594
5 2HA GLY 1 2HA GLY 1 -6.957 5.306 -0.128
6 H CYS 2 H CYS 2 -5.041 5.027 1.494
7 HA CYS 2 HA CYS 2 -2.842 4.020 0.127
8 1HB CYS 2 2HB CYS 2 -2.770 5.751 1.884
9 2HB CYS 2 1HB CYS 2 -3.214 4.590 3.090
10 H CYS 3 H CYS 3 -3.700 2.759 3.331
11 HA CYS 3 HA CYS 3 -3.058 0.003 2.413
12 1HB CYS 3 1HB CYS 3 -1.719 1.034 4.222
13 2HB CYS 3 2HB CYS 3 -3.156 1.229 5.178
14 H SER 4 H SER 4 -5.198 -0.082 1.445
15 HA SER 4 HA SER 4 -7.613 0.217 2.795
16 1HB SER 4 2HB SER 4 -6.872 -1.609 0.453
17 2HB SER 4 1HB SER 4 -8.524 -1.160 0.902
18 HG SER 4 HG SER 4 -7.735 1.067 0.803
19 H TYR 5 H TYR 5 -5.656 -2.654 2.247
20 HA TYR 5 HA TYR 5 -7.234 -4.263 4.156
21 1HB TYR 5 1HB TYR 5 -5.009 -4.952 2.186
22 2HB TYR 5 2HB TYR 5 -5.884 -6.121 3.151
23 HD1 TYR 5 HD1 TYR 5 -8.308 -6.531 2.739
24 HD2 TYR 5 HD2 TYR 5 -6.072 -3.880 0.264
25 HE1 TYR 5 HE1 TYR 5 -10.091 -6.587 1.061
26 HE2 TYR 5 HE2 TYR 5 -7.858 -3.939 -1.410
27 HH TYR 5 HH TYR 5 -10.204 -6.209 -1.518
28 HA PRO 6 HA PRO 6 -4.228 -3.852 7.380
29 1HB PRO 6 2HB PRO 6 -3.894 -6.681 7.974
30 2HB PRO 6 1HB PRO 6 -4.770 -5.454 8.866
31 1HG PRO 6 2HG PRO 6 -5.904 -7.548 7.288
32 2HG PRO 6 1HG PRO 6 -6.756 -6.256 8.116
33 1HD PRO 6 2HD PRO 6 -6.312 -6.560 5.252
34 2HD PRO 6 1HD PRO 6 -7.277 -5.333 6.090
35 HA PRO 7 HA PRO 7 -0.378 -6.226 6.032
36 1HB PRO 7 2HB PRO 7 -0.409 -8.098 4.046
37 2HB PRO 7 1HB PRO 7 -0.833 -8.486 5.712
38 1HG PRO 7 2HG PRO 7 -2.623 -7.975 3.371
39 2HG PRO 7 1HG PRO 7 -2.829 -9.163 4.661
40 1HD PRO 7 2HD PRO 7 -4.144 -6.687 4.523
41 2HD PRO 7 1HD PRO 7 -3.911 -7.608 6.023
42 H CYS 8 H CYS 8 0.304 -4.316 5.240
43 HA CYS 8 HA CYS 8 0.160 -3.882 2.271
44 1HB CYS 8 2HB CYS 8 0.132 -1.702 4.351
45 2HB CYS 8 1HB CYS 8 -0.021 -1.497 2.630
46 H PHE 9 H PHE 9 1.480 -2.196 1.531
47 HA PHE 9 HA PHE 9 4.216 -2.910 1.702
48 1HB PHE 9 2HB PHE 9 4.475 -0.914 0.177
49 2HB PHE 9 1HB PHE 9 3.197 -1.991 -0.349
50 HD1 PHE 9 HD1 PHE 9 0.897 -1.264 -0.353
51 HD2 PHE 9 HD2 PHE 9 3.868 1.223 1.419
52 HE1 PHE 9 HE1 PHE 9 -0.728 0.561 -0.186
53 HE2 PHE 9 HE2 PHE 9 2.240 3.047 1.585
54 HZ PHE 9 HZ PHE 9 -0.065 2.718 0.782
55 H ALA 10 H ALA 10 5.887 -1.868 2.546
56 HA ALA 10 HA ALA 10 5.736 -0.719 5.073
57 1HB ALA 10 1HB ALA 10 7.765 -1.808 4.216
58 2HB ALA 10 2HB ALA 10 8.168 -0.186 4.756
59 3HB ALA 10 3HB ALA 10 7.997 -0.526 3.041
60 H THR 11 H THR 11 7.281 1.156 2.527
61 HA THR 11 HA THR 11 5.504 3.487 2.973
62 HB THR 11 HB THR 11 7.540 4.996 3.389
63 HG1 THR 11 HG1 THR 11 8.758 2.434 3.336
64 1HG2 THR 11 1HG2 THR 11 7.538 2.610 5.327
65 2HG2 THR 11 2HG2 THR 11 6.408 3.950 5.442
66 3HG2 THR 11 3HG2 THR 11 8.127 4.227 5.663
67 H ASN 12 H ASN 12 5.213 2.229 0.806
68 HA ASN 12 HA ASN 12 7.039 2.969 -1.330
69 1HB ASN 12 2HB ASN 12 4.343 1.560 -1.279
70 2HB ASN 12 1HB ASN 12 5.324 1.729 -2.716
71 1HD2 ASN 12 1HD2 ASN 12 6.041 -0.388 -3.047
72 2HD2 ASN 12 2HD2 ASN 12 6.883 -1.309 -1.897
73 HA PRO 13 HA PRO 13 5.204 6.756 -2.707
74 1HB PRO 13 2HB PRO 13 4.875 5.967 -5.481
75 2HB PRO 13 1HB PRO 13 6.093 7.024 -4.787
76 1HG PRO 13 2HG PRO 13 6.394 4.293 -5.687
77 2HG PRO 13 1HG PRO 13 7.639 5.376 -5.089
78 1HD PRO 13 2HD PRO 13 6.570 3.094 -3.751
79 2HD PRO 13 1HD PRO 13 7.690 4.282 -3.068
80 H ASP 14 H ASP 14 3.776 3.783 -3.839
81 HA ASP 14 HA ASP 14 1.164 4.832 -4.450
82 1HB ASP 14 2HB ASP 14 1.942 2.667 -5.372
83 2HB ASP 14 1HB ASP 14 2.069 1.990 -3.758
84 H CYS 15 H CYS 15 0.066 5.848 -2.911
85 HA CYS 15 HA CYS 15 -1.013 4.539 -0.684
86 1HB CYS 15 2HB CYS 15 1.235 4.885 0.275
87 2HB CYS 15 1HB CYS 15 1.179 6.569 -0.143
88 1HN NH2 16 1H CYS 15 -0.107 7.783 -1.892
89 2HN NH2 16 2H CYS 15 -1.637 8.477 -1.652
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 -7.988 5.668 0.098
2 2H GLY 1 2HT GLY 1 -6.841 4.482 0.507
3 3H GLY 1 3HT GLY 1 -6.870 5.131 -1.063
4 1HA GLY 1 1HA GLY 1 -6.069 7.199 -0.361
5 2HA GLY 1 2HA GLY 1 -6.368 6.795 1.328
6 H CYS 2 H CYS 2 -5.351 4.153 1.243
7 HA CYS 2 HA CYS 2 -2.688 4.091 0.272
8 1HB CYS 2 2HB CYS 2 -2.280 5.575 2.171
9 2HB CYS 2 1HB CYS 2 -3.206 4.565 3.235
10 H CYS 3 H CYS 3 -3.308 2.599 3.347
11 HA CYS 3 HA CYS 3 -3.354 -0.062 2.053
12 1HB CYS 3 2HB CYS 3 -1.619 0.480 3.677
13 2HB CYS 3 1HB CYS 3 -2.814 0.813 4.892
14 H SER 4 H SER 4 -5.582 -0.107 1.442
15 HA SER 4 HA SER 4 -7.731 0.276 3.187
16 1HB SER 4 2HB SER 4 -9.014 -0.999 1.414
17 2HB SER 4 1HB SER 4 -7.968 0.232 0.705
18 HG SER 4 HG SER 4 -6.389 -1.735 0.909
19 H TYR 5 H TYR 5 -6.032 -2.672 2.196
20 HA TYR 5 HA TYR 5 -7.370 -4.274 4.282
21 1HB TYR 5 2HB TYR 5 -5.580 -5.032 1.942
22 2HB TYR 5 1HB TYR 5 -6.377 -6.161 3.011
23 HD1 TYR 5 HD1 TYR 5 -9.029 -5.825 3.221
24 HD2 TYR 5 HD2 TYR 5 -6.680 -4.406 -0.038
25 HE1 TYR 5 HE1 TYR 5 -11.034 -5.714 1.819
26 HE2 TYR 5 HE2 TYR 5 -8.686 -4.298 -1.435
27 HH TYR 5 HH TYR 5 -10.919 -5.347 -1.533
28 HA PRO 6 HA PRO 6 -4.223 -3.607 7.107
29 1HB PRO 6 2HB PRO 6 -3.797 -6.364 7.964
30 2HB PRO 6 1HB PRO 6 -4.608 -5.046 8.788
31 1HG PRO 6 2HG PRO 6 -5.821 -7.282 7.452
32 2HG PRO 6 1HG PRO 6 -6.625 -5.958 8.281
33 1HD PRO 6 2HD PRO 6 -6.537 -6.427 5.440
34 2HD PRO 6 1HD PRO 6 -7.270 -5.051 6.286
35 HA PRO 7 HA PRO 7 -0.399 -6.193 6.169
36 1HB PRO 7 2HB PRO 7 -0.363 -8.258 4.408
37 2HB PRO 7 1HB PRO 7 -0.998 -8.421 6.042
38 1HG PRO 7 2HG PRO 7 -2.496 -8.022 3.468
39 2HG PRO 7 1HG PRO 7 -2.901 -9.097 4.808
40 1HD PRO 7 2HD PRO 7 -4.049 -6.577 4.377
41 2HD PRO 7 1HD PRO 7 -3.988 -7.377 5.959
42 H CYS 8 H CYS 8 0.234 -4.194 5.261
43 HA CYS 8 HA CYS 8 0.652 -4.114 2.327
44 1HB CYS 8 1HB CYS 8 0.234 -1.991 4.240
45 2HB CYS 8 2HB CYS 8 0.486 -1.753 2.557
46 H PHE 9 H PHE 9 2.259 -2.199 1.954
47 HA PHE 9 HA PHE 9 4.837 -3.111 2.595
48 1HB PHE 9 2HB PHE 9 5.547 -0.935 1.573
49 2HB PHE 9 1HB PHE 9 4.335 -1.759 0.625
50 HD1 PHE 9 HD1 PHE 9 4.886 1.043 2.958
51 HD2 PHE 9 HD2 PHE 9 2.144 -0.788 0.276
52 HE1 PHE 9 HE1 PHE 9 3.462 3.041 3.062
53 HE2 PHE 9 HE2 PHE 9 0.718 1.205 0.372
54 HZ PHE 9 HZ PHE 9 1.371 3.123 1.762
55 H ALA 10 H ALA 10 6.241 -2.592 4.037
56 HA ALA 10 HA ALA 10 5.660 -1.900 6.640
57 1HB ALA 10 1HB ALA 10 7.626 -3.157 5.982
58 2HB ALA 10 2HB ALA 10 8.147 -1.772 6.928
59 3HB ALA 10 3HB ALA 10 8.311 -1.752 5.179
60 H THR 11 H THR 11 4.391 -0.008 6.410
61 HA THR 11 HA THR 11 3.942 2.298 6.201
62 HB THR 11 HB THR 11 4.127 1.695 8.600
63 HG1 THR 11 HG1 THR 11 5.520 4.111 8.368
64 1HG2 THR 11 1HG2 THR 11 7.055 2.617 8.431
65 2HG2 THR 11 2HG2 THR 11 6.567 0.946 8.637
66 3HG2 THR 11 3HG2 THR 11 6.197 2.130 9.877
67 H ASN 12 H ASN 12 5.536 2.082 4.160
68 HA ASN 12 HA ASN 12 7.908 3.729 4.260
69 1HB ASN 12 2HB ASN 12 6.264 2.620 1.941
70 2HB ASN 12 1HB ASN 12 7.831 3.379 1.767
71 1HD2 ASN 12 1HD2 ASN 12 9.705 2.185 2.394
72 2HD2 ASN 12 2HD2 ASN 12 9.640 0.554 2.860
73 HA PRO 13 HA PRO 13 6.383 7.788 4.064
74 1HB PRO 13 2HB PRO 13 7.712 8.522 1.549
75 2HB PRO 13 1HB PRO 13 8.037 9.076 3.186
76 1HG PRO 13 2HG PRO 13 9.509 7.136 1.645
77 2HG PRO 13 1HG PRO 13 9.861 7.697 3.270
78 1HD PRO 13 2HD PRO 13 8.936 5.107 2.540
79 2HD PRO 13 1HD PRO 13 9.035 5.748 4.188
80 H ASP 14 H ASP 14 6.431 6.466 0.795
81 HA ASP 14 HA ASP 14 4.177 7.972 -0.165
82 1HB ASP 14 2HB ASP 14 5.818 6.907 -1.689
83 2HB ASP 14 1HB ASP 14 5.333 5.310 -1.145
84 H CYS 15 H CYS 15 2.215 7.799 0.640
85 HA CYS 15 HA CYS 15 0.763 5.389 0.782
86 1HB CYS 15 2HB CYS 15 2.075 5.061 2.825
87 2HB CYS 15 1HB CYS 15 1.746 6.674 3.354
88 1HN NH2 16 1H CYS 15 -0.933 6.411 -0.312
89 2HN NH2 16 2H CYS 15 -1.792 7.738 0.306
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 -8.251 3.373 -0.958
2 2H GLY 1 2HT GLY 1 -7.560 4.823 -1.510
3 3H GLY 1 3HT GLY 1 -8.967 4.861 -0.557
4 1HA GLY 1 1HA GLY 1 -7.022 5.468 0.741
5 2HA GLY 1 2HA GLY 1 -7.767 3.977 1.326
6 H CYS 2 H CYS 2 -4.941 5.030 1.365
7 HA CYS 2 HA CYS 2 -3.253 3.600 -0.325
8 1HB CYS 2 2HB CYS 2 -2.521 5.431 1.118
9 2HB CYS 2 1HB CYS 2 -2.816 4.485 2.547
10 H CYS 3 H CYS 3 -3.390 2.789 3.110
11 HA CYS 3 HA CYS 3 -3.049 -0.074 2.482
12 1HB CYS 3 2HB CYS 3 -1.543 1.028 4.074
13 2HB CYS 3 1HB CYS 3 -2.893 1.485 5.078
14 H SER 4 H SER 4 -5.421 0.302 1.654
15 HA SER 4 HA SER 4 -7.588 0.458 3.385
16 1HB SER 4 2HB SER 4 -7.295 -1.057 0.744
17 2HB SER 4 1HB SER 4 -8.838 -0.636 1.502
18 HG SER 4 HG SER 4 -7.772 1.572 1.606
19 H TYR 5 H TYR 5 -5.738 -2.309 2.271
20 HA TYR 5 HA TYR 5 -7.192 -4.213 3.959
21 1HB TYR 5 1HB TYR 5 -4.839 -4.539 2.040
22 2HB TYR 5 2HB TYR 5 -5.729 -5.848 2.787
23 HD1 TYR 5 HD1 TYR 5 -5.849 -3.228 0.224
24 HD2 TYR 5 HD2 TYR 5 -8.071 -6.317 2.143
25 HE1 TYR 5 HE1 TYR 5 -7.522 -3.138 -1.561
26 HE2 TYR 5 HE2 TYR 5 -9.741 -6.223 0.356
27 HH TYR 5 HH TYR 5 -9.222 -4.652 -2.567
28 HA PRO 6 HA PRO 6 -4.271 -4.046 7.303
29 1HB PRO 6 2HB PRO 6 -3.977 -6.923 7.621
30 2HB PRO 6 1HB PRO 6 -4.846 -5.771 8.615
31 1HG PRO 6 2HG PRO 6 -5.993 -7.689 6.851
32 2HG PRO 6 1HG PRO 6 -6.838 -6.436 7.746
33 1HD PRO 6 2HD PRO 6 -6.279 -6.535 4.875
34 2HD PRO 6 1HD PRO 6 -7.291 -5.389 5.766
35 HA PRO 7 HA PRO 7 -0.439 -6.454 5.935
36 1HB PRO 7 2HB PRO 7 -0.422 -8.181 3.829
37 2HB PRO 7 1HB PRO 7 -1.020 -8.633 5.422
38 1HG PRO 7 2HG PRO 7 -2.570 -7.847 2.979
39 2HG PRO 7 1HG PRO 7 -2.951 -9.102 4.159
40 1HD PRO 7 2HD PRO 7 -4.085 -6.528 4.112
41 2HD PRO 7 1HD PRO 7 -4.045 -7.584 5.539
42 H CYS 8 H CYS 8 0.092 -4.327 5.402
43 HA CYS 8 HA CYS 8 0.305 -3.566 2.539
44 1HB CYS 8 1HB CYS 8 0.321 -2.026 4.983
45 2HB CYS 8 2HB CYS 8 0.406 -1.356 3.388
46 H PHE 9 H PHE 9 2.019 -2.102 2.056
47 HA PHE 9 HA PHE 9 4.589 -3.298 2.441
48 1HB PHE 9 2HB PHE 9 5.312 -1.441 0.948
49 2HB PHE 9 1HB PHE 9 3.877 -2.223 0.343
50 HD1 PHE 9 HD1 PHE 9 4.265 0.087 -0.960
51 HD2 PHE 9 HD2 PHE 9 2.639 -0.174 2.984
52 HE1 PHE 9 HE1 PHE 9 3.182 2.262 -1.244
53 HE2 PHE 9 HE2 PHE 9 1.573 1.990 2.680
54 HZ PHE 9 HZ PHE 9 1.833 3.219 0.570
55 H ALA 10 H ALA 10 5.359 -0.185 2.440
56 HA ALA 10 HA ALA 10 6.362 -0.202 5.110
57 1HB ALA 10 1HB ALA 10 6.527 1.881 2.887
58 2HB ALA 10 2HB ALA 10 7.725 0.653 3.246
59 3HB ALA 10 3HB ALA 10 7.440 1.958 4.388
60 H THR 11 H THR 11 5.078 2.671 3.659
61 HA THR 11 HA THR 11 2.558 3.084 4.648
62 HB THR 11 HB THR 11 3.302 2.696 7.023
63 HG1 THR 11 HG1 THR 11 1.950 4.539 6.285
64 1HG2 THR 11 1HG2 THR 11 5.768 3.306 6.763
65 2HG2 THR 11 2HG2 THR 11 4.988 4.103 8.116
66 3HG2 THR 11 3HG2 THR 11 5.312 4.993 6.645
67 H ASN 12 H ASN 12 3.471 3.905 2.459
68 HA ASN 12 HA ASN 12 4.954 6.315 2.332
69 1HB ASN 12 2HB ASN 12 2.936 5.132 0.403
70 2HB ASN 12 1HB ASN 12 4.064 6.404 0.000
71 1HD2 ASN 12 1HD2 ASN 12 5.537 4.103 2.124
72 2HD2 ASN 12 2HD2 ASN 12 6.339 3.211 0.929
73 HA PRO 13 HA PRO 13 1.560 9.302 2.930
74 1HB PRO 13 2HB PRO 13 2.816 11.469 1.681
75 2HB PRO 13 1HB PRO 13 2.976 11.048 3.379
76 1HG PRO 13 2HG PRO 13 4.939 10.714 1.204
77 2HG PRO 13 1HG PRO 13 5.203 10.718 2.942
78 1HD PRO 13 2HD PRO 13 5.142 8.416 1.221
79 2HD PRO 13 1HD PRO 13 5.258 8.419 2.991
80 H ASP 14 H ASP 14 3.374 9.723 -0.060
81 HA ASP 14 HA ASP 14 0.881 9.787 -1.672
82 1HB ASP 14 2HB ASP 14 2.650 11.541 -2.033
83 2HB ASP 14 1HB ASP 14 3.807 10.289 -2.445
84 H CYS 15 H CYS 15 0.687 7.546 -0.910
85 HA CYS 15 HA CYS 15 2.255 5.372 -1.568
86 1HB CYS 15 1HB CYS 15 -0.766 5.546 -1.488
87 2HB CYS 15 2HB CYS 15 0.175 4.091 -1.289
88 1HN NH2 16 1H CYS 15 2.666 4.204 -3.447
89 2HN NH2 16 2H CYS 15 1.906 4.478 -4.940
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 -2.746 4.460 6.990
2 2H GLY 1 2HT GLY 1 -1.781 5.498 6.052
3 3H GLY 1 3HT GLY 1 -2.209 3.966 5.456
4 1HA GLY 1 1HA GLY 1 -4.592 4.700 5.587
5 2HA GLY 1 2HA GLY 1 -3.950 6.325 5.845
6 H CYS 2 H CYS 2 -3.867 3.570 3.649
7 HA CYS 2 HA CYS 2 -4.080 5.167 1.331
8 1HB CYS 2 2HB CYS 2 -1.673 5.554 1.770
9 2HB CYS 2 1HB CYS 2 -1.400 3.842 1.928
10 H CYS 3 H CYS 3 -2.928 2.075 2.531
11 HA CYS 3 HA CYS 3 -4.275 0.624 0.302
12 1HB CYS 3 2HB CYS 3 -1.889 0.260 0.812
13 2HB CYS 3 1HB CYS 3 -2.296 -0.216 2.428
14 H SER 4 H SER 4 -6.129 -0.422 0.687
15 HA SER 4 HA SER 4 -7.678 -0.046 2.954
16 1HB SER 4 2HB SER 4 -9.219 -1.694 1.842
17 2HB SER 4 1HB SER 4 -8.593 -0.507 0.698
18 HG SER 4 HG SER 4 -6.771 -2.276 0.678
19 H TYR 5 H TYR 5 -5.861 -2.847 1.970
20 HA TYR 5 HA TYR 5 -6.760 -4.593 4.048
21 1HB TYR 5 2HB TYR 5 -4.284 -4.697 2.280
22 2HB TYR 5 1HB TYR 5 -4.925 -6.045 3.197
23 HD1 TYR 5 HD1 TYR 5 -7.345 -6.799 2.725
24 HD2 TYR 5 HD2 TYR 5 -5.217 -4.154 0.149
25 HE1 TYR 5 HE1 TYR 5 -8.914 -7.295 0.913
26 HE2 TYR 5 HE2 TYR 5 -6.790 -4.654 -1.657
27 HH TYR 5 HH TYR 5 -9.728 -6.291 -1.145
28 HA PRO 6 HA PRO 6 -3.957 -3.466 7.414
29 1HB PRO 6 2HB PRO 6 -3.859 -6.189 8.399
30 2HB PRO 6 1HB PRO 6 -4.680 -4.796 9.070
31 1HG PRO 6 2HG PRO 6 -5.904 -7.018 7.763
32 2HG PRO 6 1HG PRO 6 -6.688 -5.562 8.350
33 1HD PRO 6 2HD PRO 6 -6.126 -6.312 5.574
34 2HD PRO 6 1HD PRO 6 -7.084 -4.955 6.185
35 HA PRO 7 HA PRO 7 -0.300 -6.303 6.373
36 1HB PRO 7 2HB PRO 7 -0.531 -8.481 4.736
37 2HB PRO 7 1HB PRO 7 -0.916 -8.528 6.451
38 1HG PRO 7 2HG PRO 7 -2.772 -8.384 4.112
39 2HG PRO 7 1HG PRO 7 -2.997 -9.214 5.650
40 1HD PRO 7 2HD PRO 7 -4.086 -6.698 4.959
41 2HD PRO 7 1HD PRO 7 -3.966 -7.353 6.603
42 H CYS 8 H CYS 8 -0.259 -4.190 5.244
43 HA CYS 8 HA CYS 8 0.179 -4.385 2.320
44 1HB CYS 8 1HB CYS 8 -0.669 -2.219 4.020
45 2HB CYS 8 2HB CYS 8 -0.292 -2.007 2.362
46 H PHE 9 H PHE 9 1.701 -2.812 1.486
47 HA PHE 9 HA PHE 9 4.148 -2.759 3.091
48 1HB PHE 9 2HB PHE 9 5.153 -1.933 1.014
49 2HB PHE 9 1HB PHE 9 4.120 -3.272 0.585
50 HD1 PHE 9 HD1 PHE 9 1.833 -2.776 -0.466
51 HD2 PHE 9 HD2 PHE 9 4.749 0.266 0.191
52 HE1 PHE 9 HE1 PHE 9 0.659 -1.302 -2.036
53 HE2 PHE 9 HE2 PHE 9 3.574 1.731 -1.381
54 HZ PHE 9 HZ PHE 9 1.525 0.953 -2.497
55 H ALA 10 H ALA 10 4.806 -0.917 4.107
56 HA ALA 10 HA ALA 10 3.064 1.060 4.927
57 1HB ALA 10 1HB ALA 10 5.226 0.627 6.013
58 2HB ALA 10 2HB ALA 10 5.106 2.335 5.616
59 3HB ALA 10 3HB ALA 10 6.090 1.268 4.626
60 H THR 11 H THR 11 5.767 2.004 2.893
61 HA THR 11 HA THR 11 4.404 3.062 0.663
62 HB THR 11 HB THR 11 3.420 4.752 2.339
63 HG1 THR 11 HG1 THR 11 4.669 5.237 0.149
64 1HG2 THR 11 1HG2 THR 11 5.375 4.701 3.994
65 2HG2 THR 11 2HG2 THR 11 4.925 6.323 3.504
66 3HG2 THR 11 3HG2 THR 11 6.347 5.563 2.816
67 H ASN 12 H ASN 12 6.584 1.579 1.406
68 HA ASN 12 HA ASN 12 9.061 2.860 1.370
69 1HB ASN 12 2HB ASN 12 8.303 0.051 0.440
70 2HB ASN 12 1HB ASN 12 9.934 0.589 0.788
71 1HD2 ASN 12 1HD2 ASN 12 10.451 1.134 3.047
72 2HD2 ASN 12 2HD2 ASN 12 9.477 0.566 4.315
73 HA PRO 13 HA PRO 13 9.132 3.080 -3.308
74 1HB PRO 13 2HB PRO 13 6.641 2.792 -4.570
75 2HB PRO 13 1HB PRO 13 7.904 1.571 -4.547
76 1HG PRO 13 2HG PRO 13 5.342 1.561 -3.131
77 2HG PRO 13 1HG PRO 13 6.485 0.241 -3.327
78 1HD PRO 13 2HD PRO 13 6.076 1.931 -0.977
79 2HD PRO 13 1HD PRO 13 7.149 0.530 -1.124
80 H ASP 14 H ASP 14 5.842 3.630 -2.434
81 HA ASP 14 HA ASP 14 5.561 6.004 -1.229
82 1HB ASP 14 2HB ASP 14 6.859 7.071 -3.040
83 2HB ASP 14 1HB ASP 14 5.707 6.537 -4.247
84 H CYS 15 H CYS 15 3.858 4.438 -0.722
85 HA CYS 15 HA CYS 15 1.963 3.384 -2.443
86 1HB CYS 15 2HB CYS 15 2.084 2.866 0.002
87 2HB CYS 15 1HB CYS 15 1.409 4.434 0.350
88 1HN NH2 16 1H CYS 15 1.954 6.663 -1.034
89 2HN NH2 16 2H CYS 15 0.662 7.249 -1.964
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 -6.780 6.508 4.337
2 2H GLY 1 2HT GLY 1 -5.135 6.763 3.999
3 3H GLY 1 3HT GLY 1 -5.670 6.694 5.610
4 1HA GLY 1 1HA GLY 1 -4.655 4.630 5.186
5 2HA GLY 1 2HA GLY 1 -6.400 4.357 5.169
6 H CYS 2 H CYS 2 -3.735 5.251 3.031
7 HA CYS 2 HA CYS 2 -4.822 4.812 0.537
8 1HB CYS 2 2HB CYS 2 -2.594 5.736 1.016
9 2HB CYS 2 1HB CYS 2 -2.007 4.166 1.482
10 H CYS 3 H CYS 3 -2.821 2.427 2.241
11 HA CYS 3 HA CYS 3 -3.901 0.212 0.629
12 1HB CYS 3 2HB CYS 3 -1.504 0.312 1.181
13 2HB CYS 3 1HB CYS 3 -1.864 0.335 2.884
14 H SER 4 H SER 4 -6.024 0.205 1.235
15 HA SER 4 HA SER 4 -7.188 0.357 3.727
16 1HB SER 4 2HB SER 4 -9.134 -0.792 2.593
17 2HB SER 4 1HB SER 4 -8.431 0.469 1.576
18 HG SER 4 HG SER 4 -7.973 -2.315 1.468
19 H TYR 5 H TYR 5 -5.991 -2.419 2.043
20 HA TYR 5 HA TYR 5 -6.923 -4.450 3.810
21 1HB TYR 5 1HB TYR 5 -4.546 -4.448 1.903
22 2HB TYR 5 2HB TYR 5 -5.353 -5.873 2.537
23 HD1 TYR 5 HD1 TYR 5 -5.335 -3.514 -0.120
24 HD2 TYR 5 HD2 TYR 5 -7.974 -5.978 2.141
25 HE1 TYR 5 HE1 TYR 5 -7.000 -3.373 -1.904
26 HE2 TYR 5 HE2 TYR 5 -9.638 -5.833 0.352
27 HH TYR 5 HH TYR 5 -9.228 -5.243 -2.504
28 HA PRO 6 HA PRO 6 -4.227 -3.682 7.275
29 1HB PRO 6 2HB PRO 6 -4.185 -6.502 8.030
30 2HB PRO 6 1HB PRO 6 -4.963 -5.145 8.823
31 1HG PRO 6 2HG PRO 6 -6.233 -7.188 7.285
32 2HG PRO 6 1HG PRO 6 -6.984 -5.775 8.006
33 1HD PRO 6 2HD PRO 6 -6.480 -6.270 5.190
34 2HD PRO 6 1HD PRO 6 -7.282 -4.873 5.927
35 HA PRO 7 HA PRO 7 -0.521 -6.470 6.264
36 1HB PRO 7 2HB PRO 7 -0.613 -8.348 4.285
37 2HB PRO 7 1HB PRO 7 -1.162 -8.671 5.927
38 1HG PRO 7 2HG PRO 7 -2.763 -8.035 3.486
39 2HG PRO 7 1HG PRO 7 -3.153 -9.172 4.778
40 1HD PRO 7 2HD PRO 7 -4.204 -6.582 4.519
41 2HD PRO 7 1HD PRO 7 -4.171 -7.491 6.043
42 H CYS 8 H CYS 8 0.371 -4.656 5.541
43 HA CYS 8 HA CYS 8 0.444 -4.135 2.585
44 1HB CYS 8 2HB CYS 8 0.653 -2.100 4.814
45 2HB CYS 8 1HB CYS 8 0.649 -1.759 3.104
46 H PHE 9 H PHE 9 2.340 -3.839 1.667
47 HA PHE 9 HA PHE 9 4.739 -4.774 2.879
48 1HB PHE 9 2HB PHE 9 5.717 -4.114 0.662
49 2HB PHE 9 1HB PHE 9 4.272 -5.079 0.513
50 HD1 PHE 9 HD1 PHE 9 2.971 -1.878 1.343
51 HD2 PHE 9 HD2 PHE 9 4.941 -3.934 -1.845
52 HE1 PHE 9 HE1 PHE 9 2.076 -0.277 -0.243
53 HE2 PHE 9 HE2 PHE 9 4.029 -2.303 -3.429
54 HZ PHE 9 HZ PHE 9 2.597 -0.477 -2.638
55 H ALA 10 H ALA 10 5.413 -1.914 1.115
56 HA ALA 10 HA ALA 10 7.016 -0.764 3.078
57 1HB ALA 10 1HB ALA 10 7.033 1.219 1.553
58 2HB ALA 10 2HB ALA 10 5.679 0.526 0.669
59 3HB ALA 10 3HB ALA 10 7.238 -0.283 0.671
60 H THR 11 H THR 11 3.658 -0.594 2.545
61 HA THR 11 HA THR 11 1.877 0.501 3.535
62 HB THR 11 HB THR 11 3.830 0.608 5.945
63 HG1 THR 11 HG1 THR 11 3.226 -1.410 4.593
64 1HG2 THR 11 1HG2 THR 11 1.743 0.384 7.269
65 2HG2 THR 11 2HG2 THR 11 0.770 0.273 5.810
66 3HG2 THR 11 3HG2 THR 11 1.524 1.794 6.252
67 H ASN 12 H ASN 12 3.145 2.107 1.851
68 HA ASN 12 HA ASN 12 3.958 4.620 3.034
69 1HB ASN 12 2HB ASN 12 3.305 3.842 0.164
70 2HB ASN 12 1HB ASN 12 4.088 5.329 0.647
71 1HD2 ASN 12 1HD2 ASN 12 5.110 3.048 -1.023
72 2HD2 ASN 12 2HD2 ASN 12 6.553 2.558 -0.276
73 HA PRO 13 HA PRO 13 -0.074 6.697 2.850
74 1HB PRO 13 2HB PRO 13 0.940 9.197 1.928
75 2HB PRO 13 1HB PRO 13 0.596 8.753 3.592
76 1HG PRO 13 2HG PRO 13 3.197 9.015 2.263
77 2HG PRO 13 1HG PRO 13 2.843 8.903 3.980
78 1HD PRO 13 2HD PRO 13 3.968 6.856 2.350
79 2HD PRO 13 1HD PRO 13 3.385 6.663 4.012
80 H ASP 14 H ASP 14 2.338 6.673 0.381
81 HA ASP 14 HA ASP 14 0.350 6.931 -1.804
82 1HB ASP 14 2HB ASP 14 3.379 7.311 -1.713
83 2HB ASP 14 1HB ASP 14 2.369 7.543 -3.119
84 H CYS 15 H CYS 15 0.289 4.611 -0.453
85 HA CYS 15 HA CYS 15 1.994 2.526 -0.987
86 1HB CYS 15 1HB CYS 15 0.111 1.081 -0.587
87 2HB CYS 15 2HB CYS 15 0.029 2.442 0.486
88 1HN NH2 16 1H CYS 15 -0.701 3.580 -3.120
89 2HN NH2 16 2H CYS 15 -0.158 2.738 -4.492
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 -4.312 8.351 -0.136
2 2H GLY 1 2HT GLY 1 -4.188 8.669 -1.801
3 3H GLY 1 3HT GLY 1 -3.078 7.625 -1.050
4 1HA GLY 1 1HA GLY 1 -5.899 6.931 -0.825
5 2HA GLY 1 2HA GLY 1 -5.144 6.736 -2.410
6 H CYS 2 H CYS 2 -3.786 6.362 0.835
7 HA CYS 2 HA CYS 2 -2.287 4.094 0.263
8 1HB CYS 2 2HB CYS 2 -3.254 5.305 2.848
9 2HB CYS 2 1HB CYS 2 -2.148 3.959 2.825
10 H CYS 3 H CYS 3 -2.363 2.209 1.755
11 HA CYS 3 HA CYS 3 -4.138 0.274 0.931
12 1HB CYS 3 2HB CYS 3 -1.982 -0.075 1.966
13 2HB CYS 3 1HB CYS 3 -2.578 0.504 3.490
14 H SER 4 H SER 4 -5.498 -1.122 2.269
15 HA SER 4 HA SER 4 -7.182 0.204 4.207
16 1HB SER 4 2HB SER 4 -8.339 0.464 1.955
17 2HB SER 4 1HB SER 4 -8.233 -1.287 1.728
18 HG SER 4 HG SER 4 -9.876 -1.492 2.978
19 H TYR 5 H TYR 5 -6.204 -2.657 2.515
20 HA TYR 5 HA TYR 5 -7.309 -4.559 4.382
21 1HB TYR 5 2HB TYR 5 -5.242 -4.841 2.154
22 2HB TYR 5 1HB TYR 5 -6.066 -6.177 2.936
23 HD1 TYR 5 HD1 TYR 5 -6.430 -3.433 0.541
24 HD2 TYR 5 HD2 TYR 5 -8.513 -6.502 2.637
25 HE1 TYR 5 HE1 TYR 5 -8.332 -3.184 -0.980
26 HE2 TYR 5 HE2 TYR 5 -10.413 -6.249 1.112
27 HH TYR 5 HH TYR 5 -10.461 -5.186 -1.609
28 HA PRO 6 HA PRO 6 -4.183 -4.720 7.456
29 1HB PRO 6 2HB PRO 6 -3.719 -7.602 7.313
30 2HB PRO 6 1HB PRO 6 -4.501 -6.654 8.564
31 1HG PRO 6 2HG PRO 6 -5.780 -8.341 6.667
32 2HG PRO 6 1HG PRO 6 -6.561 -7.262 7.812
33 1HD PRO 6 2HD PRO 6 -6.340 -6.958 4.925
34 2HD PRO 6 1HD PRO 6 -7.232 -5.942 6.068
35 HA PRO 7 HA PRO 7 -0.415 -6.883 5.654
36 1HB PRO 7 2HB PRO 7 -0.422 -8.191 3.254
37 2HB PRO 7 1HB PRO 7 -1.015 -8.902 4.750
38 1HG PRO 7 2HG PRO 7 -2.568 -7.711 2.485
39 2HG PRO 7 1HG PRO 7 -2.969 -9.113 3.477
40 1HD PRO 7 2HD PRO 7 -4.017 -6.520 3.809
41 2HD PRO 7 1HD PRO 7 -4.041 -7.794 5.047
42 H CYS 8 H CYS 8 -0.069 -4.582 5.519
43 HA CYS 8 HA CYS 8 1.249 -3.810 2.992
44 1HB CYS 8 2HB CYS 8 -0.785 -2.028 4.352
45 2HB CYS 8 1HB CYS 8 0.232 -1.552 3.028
46 H PHE 9 H PHE 9 2.390 -1.612 3.343
47 HA PHE 9 HA PHE 9 3.935 -1.813 5.808
48 1HB PHE 9 2HB PHE 9 5.364 -0.183 4.759
49 2HB PHE 9 1HB PHE 9 4.885 -1.270 3.480
50 HD1 PHE 9 HD1 PHE 9 2.945 -0.503 1.891
51 HD2 PHE 9 HD2 PHE 9 4.844 2.103 4.682
52 HE1 PHE 9 HE1 PHE 9 2.063 1.452 0.691
53 HE2 PHE 9 HE2 PHE 9 3.967 4.038 3.481
54 HZ PHE 9 HZ PHE 9 2.578 3.733 1.497
55 H ALA 10 H ALA 10 0.978 -0.695 5.315
56 HA ALA 10 HA ALA 10 0.749 1.946 6.037
57 1HB ALA 10 1HB ALA 10 -1.148 0.534 5.388
58 2HB ALA 10 2HB ALA 10 -1.500 1.303 6.926
59 3HB ALA 10 3HB ALA 10 -1.008 -0.384 6.880
60 H THR 11 H THR 11 1.900 -0.578 8.010
61 HA THR 11 HA THR 11 1.346 0.756 10.559
62 HB THR 11 HB THR 11 2.592 -1.292 11.508
63 HG1 THR 11 HG1 THR 11 3.332 -2.726 9.866
64 1HG2 THR 11 1HG2 THR 11 0.144 -1.608 10.770
65 2HG2 THR 11 2HG2 THR 11 1.116 -3.060 10.596
66 3HG2 THR 11 3HG2 THR 11 0.733 -2.086 9.187
67 H ASN 12 H ASN 12 2.802 2.249 8.736
68 HA ASN 12 HA ASN 12 5.450 2.575 10.031
69 1HB ASN 12 2HB ASN 12 4.410 3.199 7.244
70 2HB ASN 12 1HB ASN 12 5.955 3.756 7.814
71 1HD2 ASN 12 1HD2 ASN 12 6.762 2.400 5.938
72 2HD2 ASN 12 2HD2 ASN 12 6.995 0.735 6.175
73 HA PRO 13 HA PRO 13 4.376 6.318 11.887
74 1HB PRO 13 2HB PRO 13 6.175 7.984 10.206
75 2HB PRO 13 1HB PRO 13 6.169 7.756 11.950
76 1HG PRO 13 2HG PRO 13 7.968 6.565 10.159
77 2HG PRO 13 1HG PRO 13 7.693 6.047 11.815
78 1HD PRO 13 2HD PRO 13 6.959 4.674 9.355
79 2HD PRO 13 1HD PRO 13 6.807 4.084 11.018
80 H ASP 14 H ASP 14 4.610 6.731 8.404
81 HA ASP 14 HA ASP 14 1.891 7.723 8.269
82 1HB ASP 14 2HB ASP 14 3.030 9.798 9.047
83 2HB ASP 14 1HB ASP 14 4.146 9.706 7.700
84 H CYS 15 H CYS 15 1.366 6.404 6.660
85 HA CYS 15 HA CYS 15 2.919 5.599 4.485
86 1HB CYS 15 2HB CYS 15 0.924 4.409 4.991
87 2HB CYS 15 1HB CYS 15 -0.075 5.821 4.813
88 1HN NH2 16 1H CYS 15 1.105 8.598 4.871
89 2HN NH2 16 2H CYS 15 1.466 9.239 3.341
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 -0.245 6.237 2.530
2 2H GLY 1 2HT GLY 1 0.283 5.455 3.941
3 3H GLY 1 3HT GLY 1 -0.300 7.048 4.022
4 1HA GLY 1 1HA GLY 1 -1.804 5.034 4.694
5 2HA GLY 1 2HA GLY 1 -2.468 6.443 3.860
6 H CYS 2 H CYS 2 -3.968 5.591 2.574
7 HA CYS 2 HA CYS 2 -5.010 4.448 0.866
8 1HB CYS 2 2HB CYS 2 -3.243 5.530 -0.422
9 2HB CYS 2 1HB CYS 2 -2.140 4.230 -0.093
10 H CYS 3 H CYS 3 -3.335 2.799 3.092
11 HA CYS 3 HA CYS 3 -3.305 0.149 1.852
12 1HB CYS 3 1HB CYS 3 -1.612 0.741 3.491
13 2HB CYS 3 2HB CYS 3 -2.828 1.099 4.687
14 H SER 4 H SER 4 -5.408 -0.304 1.276
15 HA SER 4 HA SER 4 -7.655 -0.019 2.940
16 1HB SER 4 2HB SER 4 -7.167 -1.759 0.476
17 2HB SER 4 1HB SER 4 -8.763 -1.426 1.165
18 HG SER 4 HG SER 4 -8.279 0.806 0.953
19 H TYR 5 H TYR 5 -5.878 -2.907 1.914
20 HA TYR 5 HA TYR 5 -7.107 -4.587 3.959
21 1HB TYR 5 2HB TYR 5 -4.921 -5.142 1.905
22 2HB TYR 5 1HB TYR 5 -5.741 -6.351 2.872
23 HD1 TYR 5 HD1 TYR 5 -6.029 -4.113 0.003
24 HD2 TYR 5 HD2 TYR 5 -8.184 -6.807 2.505
25 HE1 TYR 5 HE1 TYR 5 -7.829 -4.204 -1.645
26 HE2 TYR 5 HE2 TYR 5 -9.985 -6.894 0.855
27 HH TYR 5 HH TYR 5 -10.399 -6.495 -1.449
28 HA PRO 6 HA PRO 6 -4.315 -3.421 7.093
29 1HB PRO 6 2HB PRO 6 -3.952 -6.120 8.169
30 2HB PRO 6 1HB PRO 6 -4.803 -4.748 8.850
31 1HG PRO 6 2HG PRO 6 -5.960 -7.054 7.625
32 2HG PRO 6 1HG PRO 6 -6.802 -5.637 8.233
33 1HD PRO 6 2HD PRO 6 -6.428 -6.410 5.467
34 2HD PRO 6 1HD PRO 6 -7.261 -4.973 6.088
35 HA PRO 7 HA PRO 7 -0.383 -5.919 6.542
36 1HB PRO 7 2HB PRO 7 -0.250 -8.277 5.197
37 2HB PRO 7 1HB PRO 7 -0.929 -8.141 6.814
38 1HG PRO 7 2HG PRO 7 -2.353 -8.426 4.201
39 2HG PRO 7 1HG PRO 7 -2.815 -9.040 5.786
40 1HD PRO 7 2HD PRO 7 -3.806 -6.662 4.531
41 2HD PRO 7 1HD PRO 7 -4.068 -7.162 6.213
42 H CYS 8 H CYS 8 -0.416 -3.882 5.072
43 HA CYS 8 HA CYS 8 0.130 -4.371 2.220
44 1HB CYS 8 1HB CYS 8 0.210 -1.913 3.753
45 2HB CYS 8 2HB CYS 8 0.231 -2.073 2.037
46 H PHE 9 H PHE 9 1.840 -3.401 1.221
47 HA PHE 9 HA PHE 9 4.415 -3.995 2.457
48 1HB PHE 9 2HB PHE 9 5.219 -3.591 0.108
49 2HB PHE 9 1HB PHE 9 3.894 -4.724 0.118
50 HD1 PHE 9 HD1 PHE 9 1.517 -3.808 -0.443
51 HD2 PHE 9 HD2 PHE 9 5.084 -1.595 -1.215
52 HE1 PHE 9 HE1 PHE 9 0.304 -2.390 -2.018
53 HE2 PHE 9 HE2 PHE 9 3.860 -0.185 -2.791
54 HZ PHE 9 HZ PHE 9 1.465 -0.578 -3.201
55 H ALA 10 H ALA 10 5.369 -1.731 0.602
56 HA ALA 10 HA ALA 10 5.837 0.226 2.573
57 1HB ALA 10 1HB ALA 10 6.769 1.587 0.684
58 2HB ALA 10 2HB ALA 10 6.049 0.461 -0.459
59 3HB ALA 10 3HB ALA 10 7.330 -0.075 0.619
60 H THR 11 H THR 11 3.779 0.151 -0.232
61 HA THR 11 HA THR 11 1.987 1.423 -0.977
62 HB THR 11 HB THR 11 1.236 1.191 2.024
63 HG1 THR 11 HG1 THR 11 1.914 -0.739 1.024
64 1HG2 THR 11 1HG2 THR 11 -0.456 1.075 -0.542
65 2HG2 THR 11 2HG2 THR 11 -0.385 2.527 0.438
66 3HG2 THR 11 3HG2 THR 11 -1.069 1.053 1.103
67 H ASN 12 H ASN 12 3.943 2.944 -0.948
68 HA ASN 12 HA ASN 12 2.950 5.579 -0.245
69 1HB ASN 12 2HB ASN 12 4.108 4.968 1.832
70 2HB ASN 12 1HB ASN 12 5.579 4.573 0.981
71 1HD2 ASN 12 1HD2 ASN 12 7.012 6.274 0.494
72 2HD2 ASN 12 2HD2 ASN 12 6.691 7.904 0.845
73 HA PRO 13 HA PRO 13 6.440 6.092 -3.471
74 1HB PRO 13 2HB PRO 13 7.187 3.501 -4.526
75 2HB PRO 13 1HB PRO 13 8.214 4.664 -3.699
76 1HG PRO 13 2HG PRO 13 7.384 2.165 -2.677
77 2HG PRO 13 1HG PRO 13 8.151 3.452 -1.756
78 1HD PRO 13 2HD PRO 13 5.281 2.668 -1.861
79 2HD PRO 13 1HD PRO 13 6.138 3.518 -0.563
80 H ASP 14 H ASP 14 4.472 3.211 -3.644
81 HA ASP 14 HA ASP 14 2.641 4.347 -5.590
82 1HB ASP 14 2HB ASP 14 4.487 3.555 -7.111
83 2HB ASP 14 1HB ASP 14 4.373 1.951 -6.411
84 H CYS 15 H CYS 15 0.972 3.872 -4.272
85 HA CYS 15 HA CYS 15 0.690 1.566 -2.698
86 1HB CYS 15 2HB CYS 15 -0.461 3.663 -2.251
87 2HB CYS 15 1HB CYS 15 -1.347 3.527 -3.741
88 1HN NH2 16 1H CYS 15 0.280 1.875 -6.088
89 2HN NH2 16 2H CYS 15 -0.619 0.459 -6.347
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