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 |
|
|
8846 |
1mxn   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 -3.789 7.048 -3.805
2 2H GLY 1 2HT GLY 1 -2.263 7.738 -3.521
3 3H GLY 1 3HT GLY 1 -3.347 7.512 -2.232
4 1HA GLY 1 1HA GLY 1 -2.270 5.274 -3.839
5 2HA GLY 1 2HA GLY 1 -1.490 5.859 -2.368
6 H CYS 2 H CYS 2 -2.873 3.305 -3.055
7 HA CYS 2 HA CYS 2 -5.282 3.198 -1.415
8 1HB CYS 2 2HB CYS 2 -5.056 1.849 -3.417
9 2HB CYS 2 1HB CYS 2 -3.610 1.095 -2.805
10 H CYS 3 H CYS 3 -2.500 3.810 -0.278
11 HA CYS 3 HA CYS 3 -1.528 1.880 1.488
12 1HB CYS 3 2HB CYS 3 -0.409 3.956 1.075
13 2HB CYS 3 1HB CYS 3 -1.744 4.879 1.690
14 H SER 4 H SER 4 -4.439 3.699 1.778
15 HA SER 4 HA SER 4 -4.820 3.062 4.633
16 1HB SER 4 2HB SER 4 -6.911 4.459 4.341
17 2HB SER 4 1HB SER 4 -5.474 5.311 3.759
18 HG SER 4 HG SER 4 -5.931 4.455 1.677
19 H TYR 5 H TYR 5 -4.870 1.063 2.322
20 HA TYR 5 HA TYR 5 -7.437 -0.278 3.083
21 1HB TYR 5 1HB TYR 5 -7.356 0.642 0.678
22 2HB TYR 5 2HB TYR 5 -6.030 -0.485 0.406
23 HD1 TYR 5 HD1 TYR 5 -6.752 -2.281 -0.910
24 HD2 TYR 5 HD2 TYR 5 -9.355 -0.825 2.133
25 HE1 TYR 5 HE1 TYR 5 -8.363 -4.047 -1.431
26 HE2 TYR 5 HE2 TYR 5 -10.955 -2.594 1.609
27 HH TYR 5 HH TYR 5 -11.485 -4.018 -0.538
28 HA PRO 6 HA PRO 6 -4.466 -2.833 5.015
29 1HB PRO 6 2HB PRO 6 -6.097 -5.260 4.841
30 2HB PRO 6 1HB PRO 6 -5.697 -4.277 6.237
31 1HG PRO 6 1HG PRO 6 -8.181 -4.346 4.804
32 2HG PRO 6 2HG PRO 6 -7.775 -3.368 6.204
33 1HD PRO 6 2HD PRO 6 -8.152 -2.466 3.510
34 2HD PRO 6 1HD PRO 6 -7.632 -1.490 4.894
35 HA PRO 7 HA PRO 7 -3.644 -6.424 1.905
36 1HB PRO 7 1HB PRO 7 -4.854 -6.188 -0.566
37 2HB PRO 7 2HB PRO 7 -5.352 -7.273 0.717
38 1HG PRO 7 2HG PRO 7 -6.540 -4.724 -0.154
39 2HG PRO 7 1HG PRO 7 -7.315 -6.100 0.617
40 1HD PRO 7 2HD PRO 7 -6.673 -3.688 1.896
41 2HD PRO 7 1HD PRO 7 -6.948 -5.215 2.758
42 H CYS 8 H CYS 8 -4.343 -3.209 0.598
43 HA CYS 8 HA CYS 8 -2.102 -3.205 -1.233
44 1HB CYS 8 2HB CYS 8 -3.667 -0.961 0.004
45 2HB CYS 8 1HB CYS 8 -2.401 -0.689 -1.158
46 H PHE 9 H PHE 9 -2.654 -2.117 2.053
47 HA PHE 9 HA PHE 9 -0.050 -0.926 2.420
48 1HB PHE 9 2HB PHE 9 -2.131 -0.465 3.870
49 2HB PHE 9 1HB PHE 9 -1.894 -2.049 4.584
50 HD1 PHE 9 HD1 PHE 9 -0.396 1.285 4.124
51 HD2 PHE 9 HD2 PHE 9 -0.013 -2.452 6.141
52 HE1 PHE 9 HE1 PHE 9 1.308 2.239 5.573
53 HE2 PHE 9 HE2 PHE 9 1.714 -1.480 7.593
54 HZ PHE 9 HZ PHE 9 2.389 0.876 7.292
55 H ALA 10 H ALA 10 -1.321 -4.134 2.522
56 HA ALA 10 HA ALA 10 0.723 -5.375 4.125
57 1HB ALA 10 1HB ALA 10 -1.450 -6.496 3.634
58 2HB ALA 10 2HB ALA 10 -0.101 -7.498 3.125
59 3HB ALA 10 3HB ALA 10 -1.022 -6.602 1.935
60 H THR 11 H THR 11 0.461 -4.459 0.758
61 HA THR 11 HA THR 11 2.972 -5.866 0.045
62 HB THR 11 HB THR 11 2.491 -4.966 -2.284
63 HG1 THR 11 HG1 THR 11 0.160 -3.923 -1.081
64 1HG2 THR 11 1HG2 THR 11 -0.063 -6.044 -0.955
65 2HG2 THR 11 2HG2 THR 11 1.239 -7.071 -1.534
66 3HG2 THR 11 3HG2 THR 11 0.315 -6.100 -2.668
67 H ASN 12 H ASN 12 1.953 -2.932 1.325
68 HA ASN 12 HA ASN 12 4.635 -1.725 0.952
69 1HB ASN 12 2HB ASN 12 3.079 -0.716 -0.740
70 2HB ASN 12 1HB ASN 12 1.954 -0.320 0.544
71 1HD2 ASN 12 1HD2 ASN 12 5.078 0.206 1.793
72 2HD2 ASN 12 2HD2 ASN 12 5.204 1.858 1.435
73 HA PRO 13 HA PRO 13 2.999 -1.749 5.303
74 1HB PRO 13 2HB PRO 13 5.302 -3.010 6.343
75 2HB PRO 13 1HB PRO 13 3.755 -3.774 6.024
76 1HG PRO 13 2HG PRO 13 6.261 -4.039 4.537
77 2HG PRO 13 1HG PRO 13 4.804 -5.015 4.421
78 1HD PRO 13 2HD PRO 13 5.707 -2.997 2.568
79 2HD PRO 13 1HD PRO 13 4.209 -3.936 2.490
80 H ASP 14 H ASP 14 5.762 -0.808 3.618
81 HA ASP 14 HA ASP 14 7.073 0.788 5.635
82 1HB ASP 14 2HB ASP 14 8.256 -0.167 3.662
83 2HB ASP 14 1HB ASP 14 7.274 0.810 2.588
84 H CYS 15 H CYS 15 4.116 1.256 4.199
85 HA CYS 15 HA CYS 15 4.410 4.180 3.825
86 1HB CYS 15 2HB CYS 15 2.993 2.889 2.254
87 2HB CYS 15 1HB CYS 15 1.969 2.381 3.557
88 1HN NH2 16 1H CYS 15 4.109 2.292 6.525
89 2HN NH2 16 2H CYS 15 3.214 3.343 7.512
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 -7.629 5.894 -2.528
2 2H GLY 1 2HT GLY 1 -6.071 5.313 -2.877
3 3H GLY 1 3HT GLY 1 -6.285 6.921 -2.378
4 1HA GLY 1 1HA GLY 1 -5.712 6.138 -0.373
5 2HA GLY 1 2HA GLY 1 -7.407 5.650 -0.329
6 H CYS 2 H CYS 2 -4.583 4.430 -2.074
7 HA CYS 2 HA CYS 2 -5.302 1.646 -1.683
8 1HB CYS 2 2HB CYS 2 -3.988 2.627 -3.611
9 2HB CYS 2 1HB CYS 2 -2.658 2.890 -2.529
10 H CYS 3 H CYS 3 -2.552 3.599 -0.542
11 HA CYS 3 HA CYS 3 -1.425 1.914 1.375
12 1HB CYS 3 2HB CYS 3 -0.443 4.012 0.679
13 2HB CYS 3 1HB CYS 3 -1.781 4.913 1.315
14 H SER 4 H SER 4 -4.367 3.694 1.639
15 HA SER 4 HA SER 4 -4.654 3.126 4.540
16 1HB SER 4 2HB SER 4 -6.644 4.679 4.347
17 2HB SER 4 1HB SER 4 -5.189 5.445 3.695
18 HG SER 4 HG SER 4 -5.822 4.564 1.633
19 H TYR 5 H TYR 5 -4.704 1.104 2.469
20 HA TYR 5 HA TYR 5 -7.337 -0.145 3.083
21 1HB TYR 5 1HB TYR 5 -7.277 0.818 0.692
22 2HB TYR 5 2HB TYR 5 -5.959 -0.298 0.351
23 HD1 TYR 5 HD1 TYR 5 -6.691 -2.063 -0.980
24 HD2 TYR 5 HD2 TYR 5 -9.251 -0.679 2.134
25 HE1 TYR 5 HE1 TYR 5 -8.311 -3.815 -1.520
26 HE2 TYR 5 HE2 TYR 5 -10.860 -2.432 1.589
27 HH TYR 5 HH TYR 5 -11.484 -3.876 -0.180
28 HA PRO 6 HA PRO 6 -4.357 -2.711 4.956
29 1HB PRO 6 2HB PRO 6 -6.024 -5.124 4.819
30 2HB PRO 6 1HB PRO 6 -5.569 -4.155 6.209
31 1HG PRO 6 1HG PRO 6 -8.097 -4.196 4.874
32 2HG PRO 6 2HG PRO 6 -7.620 -3.176 6.222
33 1HD PRO 6 2HD PRO 6 -8.062 -2.380 3.491
34 2HD PRO 6 1HD PRO 6 -7.546 -1.354 4.841
35 HA PRO 7 HA PRO 7 -3.610 -6.321 1.856
36 1HB PRO 7 1HB PRO 7 -4.821 -6.080 -0.609
37 2HB PRO 7 2HB PRO 7 -5.348 -7.134 0.686
38 1HG PRO 7 2HG PRO 7 -6.472 -4.556 -0.206
39 2HG PRO 7 1HG PRO 7 -7.281 -5.913 0.566
40 1HD PRO 7 2HD PRO 7 -6.576 -3.518 1.837
41 2HD PRO 7 1HD PRO 7 -6.898 -5.031 2.705
42 H CYS 8 H CYS 8 -4.259 -3.104 0.568
43 HA CYS 8 HA CYS 8 -2.086 -3.061 -1.327
44 1HB CYS 8 2HB CYS 8 -3.866 -1.360 -1.419
45 2HB CYS 8 1HB CYS 8 -3.368 -0.794 0.156
46 H PHE 9 H PHE 9 -2.517 -2.037 1.982
47 HA PHE 9 HA PHE 9 0.135 -1.001 2.381
48 1HB PHE 9 2HB PHE 9 -1.912 -0.432 3.809
49 2HB PHE 9 1HB PHE 9 -1.834 -2.046 4.470
50 HD1 PHE 9 HD1 PHE 9 -0.309 -2.519 6.290
51 HD2 PHE 9 HD2 PHE 9 0.198 1.019 3.967
52 HE1 PHE 9 HE1 PHE 9 1.439 -1.746 7.833
53 HE2 PHE 9 HE2 PHE 9 1.936 1.779 5.507
54 HZ PHE 9 HZ PHE 9 2.570 0.415 7.432
55 H ALA 10 H ALA 10 -1.286 -4.164 2.501
56 HA ALA 10 HA ALA 10 0.757 -5.472 4.066
57 1HB ALA 10 1HB ALA 10 -0.192 -7.569 3.109
58 2HB ALA 10 2HB ALA 10 -1.103 -6.639 1.936
59 3HB ALA 10 3HB ALA 10 -1.481 -6.503 3.646
60 H THR 11 H THR 11 0.515 -4.324 0.871
61 HA THR 11 HA THR 11 2.788 -5.884 -0.188
62 HB THR 11 HB THR 11 1.132 -3.637 -1.521
63 HG1 THR 11 HG1 THR 11 0.991 -6.471 -1.406
64 1HG2 THR 11 1HG2 THR 11 2.812 -5.919 -2.709
65 2HG2 THR 11 2HG2 THR 11 3.377 -4.259 -2.642
66 3HG2 THR 11 3HG2 THR 11 1.973 -4.667 -3.611
67 H ASN 12 H ASN 12 2.009 -2.816 1.211
68 HA ASN 12 HA ASN 12 4.872 -1.989 1.115
69 1HB ASN 12 2HB ASN 12 3.611 -0.744 -0.649
70 2HB ASN 12 1HB ASN 12 2.457 -0.208 0.561
71 1HD2 ASN 12 1HD2 ASN 12 3.767 1.746 -0.867
72 2HD2 ASN 12 2HD2 ASN 12 4.931 2.527 0.092
73 HA PRO 13 HA PRO 13 2.949 -1.953 5.336
74 1HB PRO 13 2HB PRO 13 5.049 -3.347 6.551
75 2HB PRO 13 1HB PRO 13 3.552 -4.059 5.963
76 1HG PRO 13 2HG PRO 13 6.259 -4.161 4.772
77 2HG PRO 13 1HG PRO 13 4.899 -5.250 4.534
78 1HD PRO 13 2HD PRO 13 5.777 -3.243 2.712
79 2HD PRO 13 1HD PRO 13 4.258 -4.151 2.623
80 H ASP 14 H ASP 14 5.443 -0.604 3.768
81 HA ASP 14 HA ASP 14 6.586 0.844 6.099
82 1HB ASP 14 2HB ASP 14 7.538 0.616 3.212
83 2HB ASP 14 1HB ASP 14 8.403 1.436 4.504
84 H CYS 15 H CYS 15 3.970 1.301 4.311
85 HA CYS 15 HA CYS 15 4.491 4.086 3.458
86 1HB CYS 15 2HB CYS 15 3.020 2.642 2.072
87 2HB CYS 15 1HB CYS 15 1.911 2.465 3.407
88 1HN NH2 16 1H CYS 15 2.703 5.769 4.198
89 2HN NH2 16 2H CYS 15 2.375 5.789 5.863
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 -7.635 4.086 -1.084
2 2H GLY 1 2HT GLY 1 -7.637 5.780 -1.219
3 3H GLY 1 3HT GLY 1 -7.375 5.049 0.292
4 1HA GLY 1 1HA GLY 1 -5.569 5.095 -2.050
5 2HA GLY 1 2HA GLY 1 -5.273 5.745 -0.436
6 H CYS 2 H CYS 2 -3.980 3.610 -2.154
7 HA CYS 2 HA CYS 2 -4.272 1.015 -1.159
8 1HB CYS 2 2HB CYS 2 -2.888 1.556 -3.068
9 2HB CYS 2 1HB CYS 2 -1.782 2.457 -2.068
10 H CYS 3 H CYS 3 -2.302 3.604 0.077
11 HA CYS 3 HA CYS 3 -0.853 2.308 2.112
12 1HB CYS 3 2HB CYS 3 -0.501 4.609 1.303
13 2HB CYS 3 1HB CYS 3 -1.994 5.111 2.036
14 H SER 4 H SER 4 -4.072 3.617 2.086
15 HA SER 4 HA SER 4 -4.586 2.838 4.902
16 1HB SER 4 1HB SER 4 -6.278 4.426 2.913
17 2HB SER 4 2HB SER 4 -6.678 4.170 4.621
18 HG SER 4 HG SER 4 -4.407 5.443 3.521
19 H TYR 5 H TYR 5 -4.969 1.549 1.806
20 HA TYR 5 HA TYR 5 -7.408 0.009 2.446
21 1HB TYR 5 1HB TYR 5 -6.906 0.915 0.090
22 2HB TYR 5 2HB TYR 5 -5.598 -0.266 0.003
23 HD1 TYR 5 HD1 TYR 5 -9.233 -0.193 0.964
24 HD2 TYR 5 HD2 TYR 5 -6.117 -2.307 -1.017
25 HE1 TYR 5 HE1 TYR 5 -10.834 -1.906 0.269
26 HE2 TYR 5 HE2 TYR 5 -7.719 -4.014 -1.715
27 HH TYR 5 HH TYR 5 -10.847 -3.662 -1.841
28 HA PRO 6 HA PRO 6 -4.529 -2.324 4.813
29 1HB PRO 6 2HB PRO 6 -6.270 -4.651 5.075
30 2HB PRO 6 1HB PRO 6 -5.855 -3.433 6.266
31 1HG PRO 6 1HG PRO 6 -8.328 -3.695 4.818
32 2HG PRO 6 2HG PRO 6 -7.909 -2.494 6.029
33 1HD PRO 6 2HD PRO 6 -8.198 -2.075 3.195
34 2HD PRO 6 1HD PRO 6 -7.700 -0.892 4.415
35 HA PRO 7 HA PRO 7 -3.972 -6.373 2.326
36 1HB PRO 7 1HB PRO 7 -5.359 -6.616 -0.048
37 2HB PRO 7 2HB PRO 7 -5.783 -7.380 1.468
38 1HG PRO 7 2HG PRO 7 -7.037 -5.096 0.125
39 2HG PRO 7 1HG PRO 7 -7.700 -6.191 1.321
40 1HD PRO 7 2HD PRO 7 -6.819 -3.521 1.779
41 2HD PRO 7 1HD PRO 7 -7.213 -4.711 3.036
42 H CYS 8 H CYS 8 -4.559 -3.389 0.527
43 HA CYS 8 HA CYS 8 -2.431 -3.961 -1.412
44 1HB CYS 8 2HB CYS 8 -4.350 -2.492 -1.961
45 2HB CYS 8 1HB CYS 8 -3.777 -1.318 -0.798
46 H PHE 9 H PHE 9 -2.852 -2.335 1.623
47 HA PHE 9 HA PHE 9 -0.310 -0.963 1.672
48 1HB PHE 9 2HB PHE 9 -2.254 -0.245 3.118
49 2HB PHE 9 1HB PHE 9 -2.180 -1.778 3.954
50 HD1 PHE 9 HD1 PHE 9 0.609 0.562 2.909
51 HD2 PHE 9 HD2 PHE 9 -1.450 -1.329 6.133
52 HE1 PHE 9 HE1 PHE 9 2.243 1.418 4.497
53 HE2 PHE 9 HE2 PHE 9 0.207 -0.441 7.706
54 HZ PHE 9 HZ PHE 9 2.072 0.952 6.863
55 H ALA 10 H ALA 10 -1.425 -4.138 2.318
56 HA ALA 10 HA ALA 10 0.663 -5.070 4.044
57 1HB ALA 10 1HB ALA 10 -1.470 -6.290 3.741
58 2HB ALA 10 2HB ALA 10 -0.112 -7.334 3.353
59 3HB ALA 10 3HB ALA 10 -1.062 -6.618 2.064
60 H THR 11 H THR 11 0.635 -4.315 0.698
61 HA THR 11 HA THR 11 2.969 -6.034 0.079
62 HB THR 11 HB THR 11 2.733 -5.111 -2.254
63 HG1 THR 11 HG1 THR 11 1.987 -3.024 -1.138
64 1HG2 THR 11 1HG2 THR 11 -0.056 -5.584 -1.045
65 2HG2 THR 11 2HG2 THR 11 1.011 -6.886 -1.544
66 3HG2 THR 11 3HG2 THR 11 0.383 -5.758 -2.735
67 H ASN 12 H ASN 12 2.166 -2.811 0.992
68 HA ASN 12 HA ASN 12 5.045 -2.068 1.061
69 1HB ASN 12 2HB ASN 12 3.985 -1.031 -0.967
70 2HB ASN 12 1HB ASN 12 2.748 -0.318 0.056
71 1HD2 ASN 12 1HD2 ASN 12 3.282 1.649 1.136
72 2HD2 ASN 12 2HD2 ASN 12 4.808 2.389 1.042
73 HA PRO 13 HA PRO 13 2.732 -1.441 5.074
74 1HB PRO 13 2HB PRO 13 4.913 -2.662 6.491
75 2HB PRO 13 1HB PRO 13 3.285 -3.278 6.269
76 1HG PRO 13 2HG PRO 13 5.707 -4.217 5.034
77 2HG PRO 13 1HG PRO 13 4.079 -4.847 4.830
78 1HD PRO 13 2HD PRO 13 5.634 -3.264 2.947
79 2HD PRO 13 1HD PRO 13 4.039 -3.989 2.711
80 H ASP 14 H ASP 14 5.547 -0.548 3.584
81 HA ASP 14 HA ASP 14 6.900 1.004 5.560
82 1HB ASP 14 2HB ASP 14 7.973 0.194 3.489
83 2HB ASP 14 1HB ASP 14 6.893 1.174 2.517
84 H CYS 15 H CYS 15 3.948 1.616 3.925
85 HA CYS 15 HA CYS 15 4.252 4.563 4.074
86 1HB CYS 15 2HB CYS 15 2.928 3.405 2.211
87 2HB CYS 15 1HB CYS 15 1.746 2.974 3.391
88 1HN NH2 16 1H CYS 15 4.648 4.404 6.500
89 2HN NH2 16 2H CYS 15 3.299 4.383 7.530
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 -4.765 5.425 1.501
2 2H GLY 1 2HT GLY 1 -6.231 6.221 1.816
3 3H GLY 1 3HT GLY 1 -5.057 6.962 0.837
4 1HA GLY 1 1HA GLY 1 -7.174 5.479 -0.032
5 2HA GLY 1 2HA GLY 1 -5.759 5.941 -0.986
6 H CYS 2 H CYS 2 -4.441 4.364 -1.672
7 HA CYS 2 HA CYS 2 -5.102 1.569 -1.281
8 1HB CYS 2 2HB CYS 2 -3.999 2.716 -3.302
9 2HB CYS 2 1HB CYS 2 -2.538 2.788 -2.370
10 H CYS 3 H CYS 3 -2.766 3.862 -0.078
11 HA CYS 3 HA CYS 3 -1.129 2.162 1.542
12 1HB CYS 3 2HB CYS 3 -0.546 4.450 0.863
13 2HB CYS 3 1HB CYS 3 -1.898 5.088 1.743
14 H SER 4 H SER 4 -4.239 3.576 1.937
15 HA SER 4 HA SER 4 -4.466 2.825 4.799
16 1HB SER 4 1HB SER 4 -5.281 5.090 4.080
17 2HB SER 4 2HB SER 4 -6.428 4.317 2.975
18 HG SER 4 HG SER 4 -7.400 3.321 4.695
19 H TYR 5 H TYR 5 -5.000 1.517 1.776
20 HA TYR 5 HA TYR 5 -7.353 -0.108 2.466
21 1HB TYR 5 1HB TYR 5 -7.034 0.826 0.145
22 2HB TYR 5 2HB TYR 5 -5.578 -0.148 -0.014
23 HD1 TYR 5 HD1 TYR 5 -5.987 -1.806 -1.583
24 HD2 TYR 5 HD2 TYR 5 -8.992 -1.012 1.331
25 HE1 TYR 5 HE1 TYR 5 -7.308 -3.681 -2.427
26 HE2 TYR 5 HE2 TYR 5 -10.304 -2.889 0.486
27 HH TYR 5 HH TYR 5 -10.413 -4.570 -0.952
28 HA PRO 6 HA PRO 6 -4.544 -2.557 4.782
29 1HB PRO 6 2HB PRO 6 -6.220 -4.942 4.715
30 2HB PRO 6 1HB PRO 6 -5.906 -3.835 6.039
31 1HG PRO 6 2HG PRO 6 -8.268 -4.004 4.393
32 2HG PRO 6 1HG PRO 6 -7.980 -2.954 5.770
33 1HD PRO 6 1HD PRO 6 -8.122 -2.183 3.027
34 2HD PRO 6 2HD PRO 6 -7.652 -1.151 4.389
35 HA PRO 7 HA PRO 7 -3.637 -6.364 1.996
36 1HB PRO 7 1HB PRO 7 -4.734 -6.353 -0.532
37 2HB PRO 7 2HB PRO 7 -5.338 -7.276 0.830
38 1HG PRO 7 2HG PRO 7 -6.389 -4.797 -0.367
39 2HG PRO 7 1HG PRO 7 -7.246 -6.059 0.503
40 1HD PRO 7 2HD PRO 7 -6.549 -3.540 1.542
41 2HD PRO 7 1HD PRO 7 -6.978 -4.940 2.541
42 H CYS 8 H CYS 8 -4.255 -3.286 0.386
43 HA CYS 8 HA CYS 8 -1.965 -3.393 -1.369
44 1HB CYS 8 2HB CYS 8 -3.718 -1.834 -1.853
45 2HB CYS 8 1HB CYS 8 -3.566 -1.075 -0.301
46 H PHE 9 H PHE 9 -2.592 -2.172 1.840
47 HA PHE 9 HA PHE 9 0.010 -0.976 2.237
48 1HB PHE 9 2HB PHE 9 -2.087 -0.351 3.564
49 2HB PHE 9 1HB PHE 9 -1.991 -1.913 4.354
50 HD1 PHE 9 HD1 PHE 9 -0.528 -2.176 6.267
51 HD2 PHE 9 HD2 PHE 9 0.028 1.119 3.621
52 HE1 PHE 9 HE1 PHE 9 1.183 -1.246 7.767
53 HE2 PHE 9 HE2 PHE 9 1.720 2.031 5.124
54 HZ PHE 9 HZ PHE 9 2.319 0.876 7.171
55 H ALA 10 H ALA 10 -1.367 -4.145 2.553
56 HA ALA 10 HA ALA 10 0.658 -5.292 4.269
57 1HB ALA 10 1HB ALA 10 -0.254 -7.473 3.471
58 2HB ALA 10 2HB ALA 10 -1.149 -6.653 2.207
59 3HB ALA 10 3HB ALA 10 -1.563 -6.381 3.891
60 H THR 11 H THR 11 0.415 -4.428 0.979
61 HA THR 11 HA THR 11 2.754 -5.991 0.079
62 HB THR 11 HB THR 11 1.009 -3.945 -1.450
63 HG1 THR 11 HG1 THR 11 -0.092 -5.771 -0.665
64 1HG2 THR 11 1HG2 THR 11 1.911 -5.104 -3.445
65 2HG2 THR 11 2HG2 THR 11 2.810 -6.231 -2.441
66 3HG2 THR 11 3HG2 THR 11 3.290 -4.544 -2.517
67 H ASN 12 H ASN 12 1.870 -2.878 1.261
68 HA ASN 12 HA ASN 12 4.689 -1.944 1.074
69 1HB ASN 12 2HB ASN 12 3.375 -0.882 -0.775
70 2HB ASN 12 1HB ASN 12 2.194 -0.318 0.392
71 1HD2 ASN 12 1HD2 ASN 12 5.203 0.006 1.923
72 2HD2 ASN 12 2HD2 ASN 12 5.533 1.608 1.479
73 HA PRO 13 HA PRO 13 2.779 -1.592 5.290
74 1HB PRO 13 2HB PRO 13 4.932 -2.904 6.558
75 2HB PRO 13 1HB PRO 13 3.368 -3.604 6.170
76 1HG PRO 13 2HG PRO 13 5.957 -4.073 4.878
77 2HG PRO 13 1HG PRO 13 4.470 -4.996 4.729
78 1HD PRO 13 2HD PRO 13 5.573 -3.157 2.810
79 2HD PRO 13 1HD PRO 13 4.028 -4.014 2.706
80 H ASP 14 H ASP 14 5.551 -0.723 3.662
81 HA ASP 14 HA ASP 14 6.829 0.880 5.733
82 1HB ASP 14 2HB ASP 14 8.129 -0.246 3.947
83 2HB ASP 14 1HB ASP 14 7.284 0.676 2.721
84 H CYS 15 H CYS 15 3.998 1.390 4.071
85 HA CYS 15 HA CYS 15 4.485 4.267 3.551
86 1HB CYS 15 1HB CYS 15 3.160 2.906 1.956
87 2HB CYS 15 2HB CYS 15 1.961 2.601 3.173
88 1HN NH2 16 1H CYS 15 4.020 2.661 6.338
89 2HN NH2 16 2H CYS 15 3.033 3.759 7.176
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 -4.380 5.945 1.128
2 2H GLY 1 2HT GLY 1 -5.917 6.479 1.612
3 3H GLY 1 3HT GLY 1 -4.911 7.502 0.703
4 1HA GLY 1 1HA GLY 1 -6.854 6.155 -0.412
5 2HA GLY 1 2HA GLY 1 -5.328 6.462 -1.251
6 H CYS 2 H CYS 2 -4.073 4.762 -1.796
7 HA CYS 2 HA CYS 2 -5.108 2.078 -1.668
8 1HB CYS 2 1HB CYS 2 -3.515 2.994 -3.399
9 2HB CYS 2 2HB CYS 2 -2.263 3.021 -2.197
10 H CYS 3 H CYS 3 -2.393 3.709 -0.056
11 HA CYS 3 HA CYS 3 -1.597 1.657 1.704
12 1HB CYS 3 2HB CYS 3 -1.640 4.644 2.197
13 2HB CYS 3 1HB CYS 3 -0.721 3.497 3.132
14 H SER 4 H SER 4 -4.367 3.682 1.794
15 HA SER 4 HA SER 4 -5.057 3.061 4.601
16 1HB SER 4 1HB SER 4 -6.551 4.690 2.468
17 2HB SER 4 2HB SER 4 -6.977 4.607 4.184
18 HG SER 4 HG SER 4 -5.538 6.363 3.525
19 H TYR 5 H TYR 5 -4.872 1.081 2.391
20 HA TYR 5 HA TYR 5 -7.510 -0.242 2.764
21 1HB TYR 5 1HB TYR 5 -7.264 0.786 0.408
22 2HB TYR 5 2HB TYR 5 -5.880 -0.274 0.170
23 HD1 TYR 5 HD1 TYR 5 -6.423 -1.974 -1.310
24 HD2 TYR 5 HD2 TYR 5 -9.294 -0.874 1.643
25 HE1 TYR 5 HE1 TYR 5 -7.903 -3.770 -2.067
26 HE2 TYR 5 HE2 TYR 5 -10.762 -2.671 0.882
27 HH TYR 5 HH TYR 5 -11.157 -4.010 -1.105
28 HA PRO 6 HA PRO 6 -4.555 -2.710 4.819
29 1HB PRO 6 2HB PRO 6 -6.110 -5.180 4.624
30 2HB PRO 6 1HB PRO 6 -5.823 -4.151 6.015
31 1HG PRO 6 1HG PRO 6 -8.219 -4.346 4.440
32 2HG PRO 6 2HG PRO 6 -7.932 -3.329 5.842
33 1HD PRO 6 2HD PRO 6 -8.173 -2.489 3.106
34 2HD PRO 6 1HD PRO 6 -7.793 -1.474 4.509
35 HA PRO 7 HA PRO 7 -3.551 -6.301 1.770
36 1HB PRO 7 1HB PRO 7 -4.616 -6.080 -0.764
37 2HB PRO 7 2HB PRO 7 -5.192 -7.151 0.498
38 1HG PRO 7 2HG PRO 7 -6.327 -4.606 -0.461
39 2HG PRO 7 1HG PRO 7 -7.142 -5.978 0.274
40 1HD PRO 7 2HD PRO 7 -6.564 -3.556 1.563
41 2HD PRO 7 1HD PRO 7 -6.907 -5.070 2.422
42 H CYS 8 H CYS 8 -4.117 -3.053 0.567
43 HA CYS 8 HA CYS 8 -1.877 -2.988 -1.261
44 1HB CYS 8 1HB CYS 8 -3.681 -1.257 -1.330
45 2HB CYS 8 2HB CYS 8 -3.142 -0.716 0.242
46 H PHE 9 H PHE 9 -2.451 -1.902 2.026
47 HA PHE 9 HA PHE 9 0.208 -0.988 2.560
48 1HB PHE 9 2HB PHE 9 -1.975 -0.468 3.911
49 2HB PHE 9 1HB PHE 9 -1.750 -2.045 4.643
50 HD1 PHE 9 HD1 PHE 9 -0.098 1.201 4.033
51 HD2 PHE 9 HD2 PHE 9 -0.034 -2.360 6.377
52 HE1 PHE 9 HE1 PHE 9 1.607 2.184 5.478
53 HE2 PHE 9 HE2 PHE 9 1.686 -1.363 7.823
54 HZ PHE 9 HZ PHE 9 2.516 0.919 7.357
55 H ALA 10 H ALA 10 -1.304 -4.096 2.575
56 HA ALA 10 HA ALA 10 0.558 -5.506 4.245
57 1HB ALA 10 1HB ALA 10 -1.658 -6.455 3.609
58 2HB ALA 10 2HB ALA 10 -0.361 -7.547 3.155
59 3HB ALA 10 3HB ALA 10 -1.140 -6.562 1.935
60 H THR 11 H THR 11 0.483 -4.679 0.818
61 HA THR 11 HA THR 11 3.037 -6.127 0.358
62 HB THR 11 HB THR 11 1.285 -6.362 -1.402
63 HG1 THR 11 HG1 THR 11 3.370 -4.645 -2.245
64 1HG2 THR 11 1HG2 THR 11 1.611 -3.349 -1.856
65 2HG2 THR 11 2HG2 THR 11 0.168 -4.111 -1.193
66 3HG2 THR 11 3HG2 THR 11 0.661 -4.457 -2.833
67 H ASN 12 H ASN 12 2.016 -3.153 1.466
68 HA ASN 12 HA ASN 12 4.673 -1.950 0.979
69 1HB ASN 12 2HB ASN 12 3.114 -1.069 -0.782
70 2HB ASN 12 1HB ASN 12 1.992 -0.588 0.483
71 1HD2 ASN 12 1HD2 ASN 12 2.511 1.560 -0.847
72 2HD2 ASN 12 2HD2 ASN 12 3.775 2.512 -0.226
73 HA PRO 13 HA PRO 13 2.931 -1.701 5.289
74 1HB PRO 13 2HB PRO 13 5.106 -2.975 6.518
75 2HB PRO 13 1HB PRO 13 3.589 -3.742 6.075
76 1HG PRO 13 2HG PRO 13 6.227 -3.980 4.785
77 2HG PRO 13 1HG PRO 13 4.828 -5.034 4.644
78 1HD PRO 13 2HD PRO 13 5.730 -3.114 2.715
79 2HD PRO 13 1HD PRO 13 4.234 -4.056 2.656
80 H ASP 14 H ASP 14 5.643 -0.770 3.612
81 HA ASP 14 HA ASP 14 6.900 0.890 5.664
82 1HB ASP 14 2HB ASP 14 7.410 0.641 2.671
83 2HB ASP 14 1HB ASP 14 8.460 1.465 3.813
84 H CYS 15 H CYS 15 4.053 1.331 4.179
85 HA CYS 15 HA CYS 15 4.517 4.147 3.346
86 1HB CYS 15 2HB CYS 15 3.037 2.665 2.012
87 2HB CYS 15 1HB CYS 15 1.959 2.512 3.368
88 1HN NH2 16 1H CYS 15 4.070 2.676 6.289
89 2HN NH2 16 2H CYS 15 3.249 3.918 7.102
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 -3.009 6.724 -1.995
2 2H GLY 1 2HT GLY 1 -4.161 7.972 -2.041
3 3H GLY 1 3HT GLY 1 -4.543 6.439 -2.662
4 1HA GLY 1 1HA GLY 1 -3.806 6.822 0.170
5 2HA GLY 1 2HA GLY 1 -5.470 7.011 -0.391
6 H CYS 2 H CYS 2 -3.198 4.790 -1.799
7 HA CYS 2 HA CYS 2 -4.948 2.503 -1.488
8 1HB CYS 2 1HB CYS 2 -3.259 3.000 -3.325
9 2HB CYS 2 2HB CYS 2 -2.000 2.625 -2.197
10 H CYS 3 H CYS 3 -2.499 4.025 0.347
11 HA CYS 3 HA CYS 3 -1.543 1.931 2.020
12 1HB CYS 3 2HB CYS 3 -1.929 4.864 2.673
13 2HB CYS 3 1HB CYS 3 -0.919 3.760 3.561
14 H SER 4 H SER 4 -4.547 3.509 1.895
15 HA SER 4 HA SER 4 -5.351 2.901 4.669
16 1HB SER 4 1HB SER 4 -6.093 5.037 3.594
17 2HB SER 4 2HB SER 4 -6.938 4.115 2.344
18 HG SER 4 HG SER 4 -8.170 3.145 3.961
19 H TYR 5 H TYR 5 -5.407 1.469 1.592
20 HA TYR 5 HA TYR 5 -7.655 -0.350 2.145
21 1HB TYR 5 1HB TYR 5 -7.276 0.559 -0.163
22 2HB TYR 5 2HB TYR 5 -5.700 -0.208 -0.207
23 HD1 TYR 5 HD1 TYR 5 -5.854 -1.859 -1.866
24 HD2 TYR 5 HD2 TYR 5 -8.999 -1.586 0.992
25 HE1 TYR 5 HE1 TYR 5 -6.857 -3.896 -2.770
26 HE2 TYR 5 HE2 TYR 5 -9.994 -3.623 0.086
27 HH TYR 5 HH TYR 5 -10.004 -4.909 -1.989
28 HA PRO 6 HA PRO 6 -4.650 -2.331 4.691
29 1HB PRO 6 2HB PRO 6 -6.143 -4.820 4.901
30 2HB PRO 6 1HB PRO 6 -5.946 -3.540 6.085
31 1HG PRO 6 2HG PRO 6 -8.259 -4.117 4.460
32 2HG PRO 6 1HG PRO 6 -8.089 -2.884 5.699
33 1HD PRO 6 1HD PRO 6 -8.222 -2.475 2.862
34 2HD PRO 6 2HD PRO 6 -7.933 -1.250 4.107
35 HA PRO 7 HA PRO 7 -3.527 -6.291 2.194
36 1HB PRO 7 1HB PRO 7 -4.559 -6.426 -0.365
37 2HB PRO 7 2HB PRO 7 -5.114 -7.351 1.011
38 1HG PRO 7 2HG PRO 7 -6.347 -5.014 -0.284
39 2HG PRO 7 1HG PRO 7 -7.097 -6.292 0.655
40 1HD PRO 7 2HD PRO 7 -6.576 -3.668 1.541
41 2HD PRO 7 1HD PRO 7 -6.938 -5.029 2.621
42 H CYS 8 H CYS 8 -4.191 -3.269 0.520
43 HA CYS 8 HA CYS 8 -1.929 -3.347 -1.265
44 1HB CYS 8 2HB CYS 8 -3.783 -1.688 -1.509
45 2HB CYS 8 1HB CYS 8 -3.240 -0.913 -0.043
46 H PHE 9 H PHE 9 -2.494 -2.126 1.969
47 HA PHE 9 HA PHE 9 0.150 -1.031 2.343
48 1HB PHE 9 2HB PHE 9 -1.883 -0.358 3.759
49 2HB PHE 9 1HB PHE 9 -1.822 -1.950 4.503
50 HD1 PHE 9 HD1 PHE 9 0.586 0.778 3.612
51 HD2 PHE 9 HD2 PHE 9 -0.609 -2.079 6.544
52 HE1 PHE 9 HE1 PHE 9 2.372 1.533 5.101
53 HE2 PHE 9 HE2 PHE 9 1.192 -1.293 8.027
54 HZ PHE 9 HZ PHE 9 2.695 0.536 7.266
55 H ALA 10 H ALA 10 -1.341 -4.142 2.801
56 HA ALA 10 HA ALA 10 0.726 -5.350 4.399
57 1HB ALA 10 1HB ALA 10 -1.221 -6.667 2.442
58 2HB ALA 10 2HB ALA 10 -1.544 -6.362 4.140
59 3HB ALA 10 3HB ALA 10 -0.291 -7.502 3.671
60 H THR 11 H THR 11 0.411 -4.499 1.116
61 HA THR 11 HA THR 11 2.613 -6.214 0.152
62 HB THR 11 HB THR 11 0.947 -4.073 -1.333
63 HG1 THR 11 HG1 THR 11 0.764 -6.865 -0.879
64 1HG2 THR 11 1HG2 THR 11 3.143 -4.810 -2.474
65 2HG2 THR 11 2HG2 THR 11 1.701 -5.292 -3.347
66 3HG2 THR 11 3HG2 THR 11 2.570 -6.467 -2.374
67 H ASN 12 H ASN 12 1.953 -2.966 1.229
68 HA ASN 12 HA ASN 12 4.846 -2.297 1.005
69 1HB ASN 12 2HB ASN 12 3.616 -1.238 -0.896
70 2HB ASN 12 1HB ASN 12 2.525 -0.477 0.255
71 1HD2 ASN 12 1HD2 ASN 12 3.292 1.424 1.343
72 2HD2 ASN 12 2HD2 ASN 12 4.824 2.104 1.071
73 HA PRO 13 HA PRO 13 3.119 -1.577 5.264
74 1HB PRO 13 2HB PRO 13 5.497 -2.747 6.369
75 2HB PRO 13 1HB PRO 13 3.868 -3.400 6.383
76 1HG PRO 13 2HG PRO 13 6.123 -4.285 4.809
77 2HG PRO 13 1HG PRO 13 4.516 -4.990 4.888
78 1HD PRO 13 1HD PRO 13 5.666 -3.434 2.735
79 2HD PRO 13 2HD PRO 13 4.059 -4.175 2.801
80 H ASP 14 H ASP 14 5.578 -0.674 3.307
81 HA ASP 14 HA ASP 14 7.232 0.969 4.974
82 1HB ASP 14 2HB ASP 14 6.784 1.078 1.962
83 2HB ASP 14 1HB ASP 14 8.159 1.738 2.829
84 H CYS 15 H CYS 15 4.027 1.424 4.063
85 HA CYS 15 HA CYS 15 4.342 4.390 3.801
86 1HB CYS 15 2HB CYS 15 2.823 3.138 2.247
87 2HB CYS 15 1HB CYS 15 1.812 2.716 3.592
88 1HN NH2 16 1H CYS 15 4.276 2.368 6.370
89 2HN NH2 16 2H CYS 15 3.410 3.313 7.483
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -4.677 7.072 -2.118
2 2H GLY 1 2HT GLY 1 -6.335 7.035 -2.486
3 3H GLY 1 3HT GLY 1 -5.365 5.678 -2.801
4 1HA GLY 1 1HA GLY 1 -5.184 6.459 -0.072
5 2HA GLY 1 2HA GLY 1 -6.853 6.146 -0.547
6 H CYS 2 H CYS 2 -4.126 4.615 -2.078
7 HA CYS 2 HA CYS 2 -5.134 1.948 -1.686
8 1HB CYS 2 2HB CYS 2 -3.613 2.781 -3.530
9 2HB CYS 2 1HB CYS 2 -2.320 2.874 -2.376
10 H CYS 3 H CYS 3 -2.562 3.857 -0.195
11 HA CYS 3 HA CYS 3 -1.530 2.009 1.672
12 1HB CYS 3 2HB CYS 3 -0.523 4.177 1.220
13 2HB CYS 3 1HB CYS 3 -1.920 5.006 1.837
14 H SER 4 H SER 4 -4.468 3.819 1.714
15 HA SER 4 HA SER 4 -5.115 3.166 4.522
16 1HB SER 4 1HB SER 4 -6.680 4.715 2.387
17 2HB SER 4 2HB SER 4 -7.129 4.595 4.096
18 HG SER 4 HG SER 4 -5.746 6.424 3.422
19 H TYR 5 H TYR 5 -4.868 1.190 2.287
20 HA TYR 5 HA TYR 5 -7.464 -0.222 2.691
21 1HB TYR 5 1HB TYR 5 -7.241 0.744 0.334
22 2HB TYR 5 2HB TYR 5 -5.796 -0.229 0.123
23 HD1 TYR 5 HD1 TYR 5 -6.263 -1.900 -1.415
24 HD2 TYR 5 HD2 TYR 5 -9.141 -1.096 1.626
25 HE1 TYR 5 HE1 TYR 5 -7.615 -3.788 -2.184
26 HE2 TYR 5 HE2 TYR 5 -10.480 -2.987 0.855
27 HH TYR 5 HH TYR 5 -10.810 -4.295 -1.195
28 HA PRO 6 HA PRO 6 -4.456 -2.548 4.867
29 1HB PRO 6 2HB PRO 6 -6.016 -5.019 4.823
30 2HB PRO 6 1HB PRO 6 -5.705 -3.921 6.156
31 1HG PRO 6 2HG PRO 6 -8.126 -4.192 4.632
32 2HG PRO 6 1HG PRO 6 -7.816 -3.101 5.974
33 1HD PRO 6 1HD PRO 6 -8.100 -2.412 3.203
34 2HD PRO 6 2HD PRO 6 -7.695 -1.321 4.540
35 HA PRO 7 HA PRO 7 -3.497 -6.293 1.989
36 1HB PRO 7 1HB PRO 7 -4.589 -6.147 -0.546
37 2HB PRO 7 2HB PRO 7 -5.122 -7.201 0.744
38 1HG PRO 7 2HG PRO 7 -6.339 -4.733 -0.277
39 2HG PRO 7 1HG PRO 7 -7.093 -6.077 0.561
40 1HD PRO 7 2HD PRO 7 -6.506 -3.560 1.678
41 2HD PRO 7 1HD PRO 7 -6.845 -5.015 2.633
42 H CYS 8 H CYS 8 -4.127 -3.138 0.563
43 HA CYS 8 HA CYS 8 -1.901 -3.102 -1.256
44 1HB CYS 8 1HB CYS 8 -3.704 -1.372 -1.332
45 2HB CYS 8 2HB CYS 8 -3.142 -0.794 0.218
46 H PHE 9 H PHE 9 -2.392 -2.065 2.051
47 HA PHE 9 HA PHE 9 0.274 -1.081 2.490
48 1HB PHE 9 2HB PHE 9 -1.767 -0.463 3.918
49 2HB PHE 9 1HB PHE 9 -1.723 -2.083 4.580
50 HD1 PHE 9 HD1 PHE 9 0.587 0.768 3.905
51 HD2 PHE 9 HD2 PHE 9 -0.402 -2.421 6.552
52 HE1 PHE 9 HE1 PHE 9 2.362 1.468 5.434
53 HE2 PHE 9 HE2 PHE 9 1.386 -1.698 8.079
54 HZ PHE 9 HZ PHE 9 2.778 0.271 7.491
55 H ALA 10 H ALA 10 -1.247 -4.206 2.715
56 HA ALA 10 HA ALA 10 0.800 -5.527 4.263
57 1HB ALA 10 1HB ALA 10 -0.241 -7.620 3.393
58 2HB ALA 10 2HB ALA 10 -1.148 -6.694 2.212
59 3HB ALA 10 3HB ALA 10 -1.482 -6.496 3.925
60 H THR 11 H THR 11 0.420 -4.540 1.016
61 HA THR 11 HA THR 11 2.681 -6.117 -0.040
62 HB THR 11 HB THR 11 0.873 -4.024 -1.418
63 HG1 THR 11 HG1 THR 11 -0.060 -5.986 -0.523
64 1HG2 THR 11 1HG2 THR 11 3.089 -4.588 -2.630
65 2HG2 THR 11 2HG2 THR 11 1.658 -5.124 -3.491
66 3HG2 THR 11 3HG2 THR 11 2.612 -6.277 -2.572
67 H ASN 12 H ASN 12 1.937 -3.004 1.260
68 HA ASN 12 HA ASN 12 4.763 -2.155 0.928
69 1HB ASN 12 2HB ASN 12 3.425 -1.054 -0.868
70 2HB ASN 12 1HB ASN 12 2.309 -0.456 0.347
71 1HD2 ASN 12 1HD2 ASN 12 5.862 -0.583 0.205
72 2HD2 ASN 12 2HD2 ASN 12 6.130 1.075 0.484
73 HA PRO 13 HA PRO 13 3.047 -1.760 5.232
74 1HB PRO 13 2HB PRO 13 5.299 -3.048 6.377
75 2HB PRO 13 1HB PRO 13 3.702 -3.735 6.130
76 1HG PRO 13 2HG PRO 13 6.169 -4.280 4.664
77 2HG PRO 13 1HG PRO 13 4.648 -5.158 4.617
78 1HD PRO 13 2HD PRO 13 5.685 -3.371 2.615
79 2HD PRO 13 1HD PRO 13 4.111 -4.180 2.616
80 H ASP 14 H ASP 14 5.505 -0.642 3.410
81 HA ASP 14 HA ASP 14 7.029 0.846 5.395
82 1HB ASP 14 2HB ASP 14 7.025 1.003 2.350
83 2HB ASP 14 1HB ASP 14 8.247 1.681 3.411
84 H CYS 15 H CYS 15 3.953 1.330 4.290
85 HA CYS 15 HA CYS 15 4.267 4.285 3.961
86 1HB CYS 15 2HB CYS 15 2.809 3.038 2.356
87 2HB CYS 15 1HB CYS 15 1.788 2.539 3.668
88 1HN NH2 16 1H CYS 15 1.207 3.618 5.314
89 2HN NH2 16 2H CYS 15 1.564 4.057 6.912
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 -5.292 7.417 0.015
2 2H GLY 1 2HT GLY 1 -4.290 6.369 -0.870
3 3H GLY 1 3HT GLY 1 -4.556 6.094 0.786
4 1HA GLY 1 1HA GLY 1 -6.948 5.764 0.289
5 2HA GLY 1 2HA GLY 1 -6.512 5.826 -1.424
6 H CYS 2 H CYS 2 -4.535 4.414 -1.921
7 HA CYS 2 HA CYS 2 -5.205 1.659 -1.432
8 1HB CYS 2 2HB CYS 2 -3.964 2.679 -3.423
9 2HB CYS 2 1HB CYS 2 -2.575 2.855 -2.402
10 H CYS 3 H CYS 3 -2.676 3.836 -0.265
11 HA CYS 3 HA CYS 3 -1.327 2.127 1.549
12 1HB CYS 3 2HB CYS 3 -0.503 4.314 0.887
13 2HB CYS 3 1HB CYS 3 -1.879 5.102 1.592
14 H SER 4 H SER 4 -4.339 3.767 1.788
15 HA SER 4 HA SER 4 -4.708 3.083 4.658
16 1HB SER 4 1HB SER 4 -5.205 5.435 3.918
17 2HB SER 4 2HB SER 4 -6.410 4.815 2.782
18 HG SER 4 HG SER 4 -7.668 4.228 4.398
19 H TYR 5 H TYR 5 -4.644 1.152 2.493
20 HA TYR 5 HA TYR 5 -7.312 -0.120 2.894
21 1HB TYR 5 1HB TYR 5 -7.081 0.911 0.542
22 2HB TYR 5 2HB TYR 5 -5.744 -0.197 0.267
23 HD1 TYR 5 HD1 TYR 5 -9.112 -0.711 1.872
24 HD2 TYR 5 HD2 TYR 5 -6.427 -1.832 -1.242
25 HE1 TYR 5 HE1 TYR 5 -10.674 -2.440 1.148
26 HE2 TYR 5 HE2 TYR 5 -8.000 -3.560 -1.963
27 HH TYR 5 HH TYR 5 -11.202 -3.859 -0.559
28 HA PRO 6 HA PRO 6 -4.368 -2.747 4.820
29 1HB PRO 6 2HB PRO 6 -6.100 -5.107 4.692
30 2HB PRO 6 1HB PRO 6 -5.623 -4.142 6.077
31 1HG PRO 6 1HG PRO 6 -8.155 -4.125 4.757
32 2HG PRO 6 2HG PRO 6 -7.639 -3.099 6.084
33 1HD PRO 6 2HD PRO 6 -8.057 -2.335 3.326
34 2HD PRO 6 1HD PRO 6 -7.559 -1.300 4.673
35 HA PRO 7 HA PRO 7 -3.771 -6.406 1.744
36 1HB PRO 7 1HB PRO 7 -4.971 -6.166 -0.724
37 2HB PRO 7 2HB PRO 7 -5.562 -7.152 0.599
38 1HG PRO 7 2HG PRO 7 -6.508 -4.523 -0.348
39 2HG PRO 7 1HG PRO 7 -7.425 -5.815 0.411
40 1HD PRO 7 2HD PRO 7 -6.614 -3.472 1.696
41 2HD PRO 7 1HD PRO 7 -7.000 -4.970 2.565
42 H CYS 8 H CYS 8 -4.204 -3.148 0.580
43 HA CYS 8 HA CYS 8 -2.045 -3.221 -1.369
44 1HB CYS 8 2HB CYS 8 -3.790 -1.528 -1.546
45 2HB CYS 8 1HB CYS 8 -3.384 -0.936 0.040
46 H PHE 9 H PHE 9 -2.521 -1.931 1.845
47 HA PHE 9 HA PHE 9 0.134 -1.022 2.329
48 1HB PHE 9 2HB PHE 9 -2.011 -0.405 3.632
49 2HB PHE 9 1HB PHE 9 -1.886 -1.965 4.412
50 HD1 PHE 9 HD1 PHE 9 -0.137 -2.381 6.119
51 HD2 PHE 9 HD2 PHE 9 -0.220 1.266 3.913
52 HE1 PHE 9 HE1 PHE 9 1.526 -1.406 7.646
53 HE2 PHE 9 HE2 PHE 9 1.421 2.223 5.434
54 HZ PHE 9 HZ PHE 9 2.318 0.906 7.288
55 H ALA 10 H ALA 10 -1.307 -4.139 2.370
56 HA ALA 10 HA ALA 10 0.459 -5.513 4.154
57 1HB ALA 10 1HB ALA 10 -1.023 -6.588 1.708
58 2HB ALA 10 2HB ALA 10 -1.678 -6.502 3.334
59 3HB ALA 10 3HB ALA 10 -0.329 -7.569 2.983
60 H THR 11 H THR 11 0.576 -4.833 0.678
61 HA THR 11 HA THR 11 3.231 -6.132 0.458
62 HB THR 11 HB THR 11 1.633 -6.498 -1.419
63 HG1 THR 11 HG1 THR 11 3.085 -5.750 -3.023
64 1HG2 THR 11 1HG2 THR 11 1.853 -3.483 -1.930
65 2HG2 THR 11 2HG2 THR 11 0.399 -4.294 -1.356
66 3HG2 THR 11 3HG2 THR 11 1.033 -4.661 -2.943
67 H ASN 12 H ASN 12 2.040 -3.191 1.432
68 HA ASN 12 HA ASN 12 4.656 -1.867 0.987
69 1HB ASN 12 2HB ASN 12 3.068 -1.043 -0.767
70 2HB ASN 12 1HB ASN 12 1.907 -0.631 0.488
71 1HD2 ASN 12 1HD2 ASN 12 2.200 1.593 -0.623
72 2HD2 ASN 12 2HD2 ASN 12 3.462 2.584 -0.062
73 HA PRO 13 HA PRO 13 2.893 -1.721 5.296
74 1HB PRO 13 2HB PRO 13 5.063 -2.974 6.539
75 2HB PRO 13 1HB PRO 13 3.589 -3.776 6.024
76 1HG PRO 13 2HG PRO 13 6.275 -3.857 4.794
77 2HG PRO 13 1HG PRO 13 4.938 -4.986 4.620
78 1HD PRO 13 2HD PRO 13 5.749 -3.012 2.716
79 2HD PRO 13 1HD PRO 13 4.290 -4.006 2.651
80 H ASP 14 H ASP 14 5.592 -0.718 3.648
81 HA ASP 14 HA ASP 14 6.854 0.907 5.707
82 1HB ASP 14 2HB ASP 14 7.259 0.820 2.688
83 2HB ASP 14 1HB ASP 14 8.322 1.618 3.836
84 H CYS 15 H CYS 15 3.960 1.368 4.179
85 HA CYS 15 HA CYS 15 4.409 4.254 3.615
86 1HB CYS 15 2HB CYS 15 2.971 2.895 2.095
87 2HB CYS 15 1HB CYS 15 1.857 2.602 3.397
88 1HN NH2 16 1H CYS 15 2.468 5.724 4.596
89 2HN NH2 16 2H CYS 15 2.227 5.519 6.263
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 -4.789 5.469 -2.779
2 2H GLY 1 2HT GLY 1 -6.446 5.793 -2.603
3 3H GLY 1 3HT GLY 1 -5.908 4.192 -2.782
4 1HA GLY 1 1HA GLY 1 -4.848 5.745 -0.545
5 2HA GLY 1 2HA GLY 1 -6.513 5.168 -0.441
6 H CYS 2 H CYS 2 -3.557 3.826 -1.832
7 HA CYS 2 HA CYS 2 -4.058 1.117 -1.178
8 1HB CYS 2 1HB CYS 2 -2.446 1.834 -2.858
9 2HB CYS 2 2HB CYS 2 -1.451 2.577 -1.637
10 H CYS 3 H CYS 3 -2.157 3.538 0.495
11 HA CYS 3 HA CYS 3 -1.107 1.963 2.597
12 1HB CYS 3 2HB CYS 3 -1.922 4.881 2.586
13 2HB CYS 3 1HB CYS 3 -0.916 4.141 3.801
14 H SER 4 H SER 4 -4.199 3.515 2.184
15 HA SER 4 HA SER 4 -5.136 2.856 4.879
16 1HB SER 4 2HB SER 4 -6.449 4.258 2.508
17 2HB SER 4 1HB SER 4 -7.147 4.113 4.123
18 HG SER 4 HG SER 4 -5.911 6.034 3.846
19 H TYR 5 H TYR 5 -5.154 1.457 1.752
20 HA TYR 5 HA TYR 5 -7.545 -0.196 2.291
21 1HB TYR 5 1HB TYR 5 -7.049 0.752 -0.037
22 2HB TYR 5 2HB TYR 5 -5.656 -0.328 -0.105
23 HD1 TYR 5 HD1 TYR 5 -6.093 -2.192 -1.449
24 HD2 TYR 5 HD2 TYR 5 -9.230 -0.735 1.030
25 HE1 TYR 5 HE1 TYR 5 -7.542 -4.006 -2.210
26 HE2 TYR 5 HE2 TYR 5 -10.673 -2.551 0.270
27 HH TYR 5 HH TYR 5 -10.838 -4.034 -1.769
28 HA PRO 6 HA PRO 6 -4.673 -2.488 4.733
29 1HB PRO 6 2HB PRO 6 -6.348 -4.876 4.814
30 2HB PRO 6 1HB PRO 6 -6.011 -3.707 6.076
31 1HG PRO 6 2HG PRO 6 -8.414 -3.959 4.514
32 2HG PRO 6 1HG PRO 6 -8.080 -2.815 5.802
33 1HD PRO 6 1HD PRO 6 -8.282 -2.240 2.998
34 2HD PRO 6 2HD PRO 6 -7.824 -1.120 4.291
35 HA PRO 7 HA PRO 7 -3.857 -6.406 2.097
36 1HB PRO 7 1HB PRO 7 -5.110 -6.544 -0.364
37 2HB PRO 7 2HB PRO 7 -5.563 -7.426 1.075
38 1HG PRO 7 2HG PRO 7 -6.871 -5.132 -0.185
39 2HG PRO 7 1HG PRO 7 -7.521 -6.311 0.935
40 1HD PRO 7 2HD PRO 7 -6.769 -3.626 1.539
41 2HD PRO 7 1HD PRO 7 -7.182 -4.880 2.725
42 H CYS 8 H CYS 8 -4.483 -3.381 0.354
43 HA CYS 8 HA CYS 8 -2.213 -3.781 -1.452
44 1HB CYS 8 1HB CYS 8 -4.150 -2.340 -2.041
45 2HB CYS 8 2HB CYS 8 -3.664 -1.201 -0.806
46 H PHE 9 H PHE 9 -2.835 -2.374 1.654
47 HA PHE 9 HA PHE 9 -0.340 -0.912 1.867
48 1HB PHE 9 2HB PHE 9 -2.351 -0.302 3.270
49 2HB PHE 9 1HB PHE 9 -2.267 -1.866 4.056
50 HD1 PHE 9 HD1 PHE 9 -1.615 -1.433 6.293
51 HD2 PHE 9 HD2 PHE 9 0.506 0.523 3.149
52 HE1 PHE 9 HE1 PHE 9 -0.001 -0.545 7.914
53 HE2 PHE 9 HE2 PHE 9 2.102 1.385 4.777
54 HZ PHE 9 HZ PHE 9 1.875 0.878 7.135
55 H ALA 10 H ALA 10 -1.462 -4.122 2.418
56 HA ALA 10 HA ALA 10 0.672 -5.060 4.114
57 1HB ALA 10 1HB ALA 10 -1.490 -6.269 3.873
58 2HB ALA 10 2HB ALA 10 -0.148 -7.320 3.454
59 3HB ALA 10 3HB ALA 10 -1.127 -6.602 2.188
60 H THR 11 H THR 11 0.529 -4.139 0.889
61 HA THR 11 HA THR 11 2.748 -5.840 -0.063
62 HB THR 11 HB THR 11 1.260 -3.544 -1.500
63 HG1 THR 11 HG1 THR 11 0.928 -6.352 -1.275
64 1HG2 THR 11 1HG2 THR 11 2.829 -5.955 -2.575
65 2HG2 THR 11 2HG2 THR 11 3.491 -4.328 -2.538
66 3HG2 THR 11 3HG2 THR 11 2.092 -4.682 -3.535
67 H ASN 12 H ASN 12 2.026 -2.633 1.077
68 HA ASN 12 HA ASN 12 4.930 -1.993 1.199
69 1HB ASN 12 2HB ASN 12 3.911 -0.855 -0.793
70 2HB ASN 12 1HB ASN 12 2.706 -0.127 0.257
71 1HD2 ASN 12 1HD2 ASN 12 3.312 1.792 1.365
72 2HD2 ASN 12 2HD2 ASN 12 4.871 2.463 1.313
73 HA PRO 13 HA PRO 13 2.581 -1.432 5.197
74 1HB PRO 13 2HB PRO 13 4.600 -2.851 6.636
75 2HB PRO 13 1HB PRO 13 2.971 -3.388 6.263
76 1HG PRO 13 2HG PRO 13 5.462 -4.300 5.107
77 2HG PRO 13 1HG PRO 13 3.841 -4.917 4.823
78 1HD PRO 13 1HD PRO 13 5.456 -3.291 3.048
79 2HD PRO 13 2HD PRO 13 3.838 -3.945 2.756
80 H ASP 14 H ASP 14 5.422 -0.590 3.787
81 HA ASP 14 HA ASP 14 6.508 1.044 5.993
82 1HB ASP 14 2HB ASP 14 7.558 0.442 3.193
83 2HB ASP 14 1HB ASP 14 8.443 1.311 4.439
84 H CYS 15 H CYS 15 3.960 1.629 4.361
85 HA CYS 15 HA CYS 15 4.250 3.790 2.611
86 1HB CYS 15 1HB CYS 15 2.070 2.847 3.189
87 2HB CYS 15 2HB CYS 15 2.190 3.499 4.807
88 1HN NH2 16 1H CYS 15 4.779 5.982 2.767
89 2HN NH2 16 2H CYS 15 5.185 6.766 4.217
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 -6.805 7.258 -1.764
2 2H GLY 1 2HT GLY 1 -5.964 6.154 -2.743
3 3H GLY 1 3HT GLY 1 -5.287 7.674 -2.402
4 1HA GLY 1 1HA GLY 1 -4.172 6.658 -0.788
5 2HA GLY 1 2HA GLY 1 -5.714 6.688 0.070
6 H CYS 2 H CYS 2 -3.461 4.760 -1.689
7 HA CYS 2 HA CYS 2 -5.118 2.311 -1.617
8 1HB CYS 2 2HB CYS 2 -3.552 2.939 -3.496
9 2HB CYS 2 1HB CYS 2 -2.221 2.731 -2.405
10 H CYS 3 H CYS 3 -2.324 3.767 -0.055
11 HA CYS 3 HA CYS 3 -1.473 1.617 1.577
12 1HB CYS 3 2HB CYS 3 -1.427 4.591 2.144
13 2HB CYS 3 1HB CYS 3 -0.501 3.404 3.020
14 H SER 4 H SER 4 -4.271 3.576 1.842
15 HA SER 4 HA SER 4 -4.763 2.929 4.684
16 1HB SER 4 2HB SER 4 -6.810 4.378 4.339
17 2HB SER 4 1HB SER 4 -5.342 5.207 3.799
18 HG SER 4 HG SER 4 -5.769 4.308 1.702
19 H TYR 5 H TYR 5 -4.882 1.141 2.108
20 HA TYR 5 HA TYR 5 -7.454 -0.240 2.724
21 1HB TYR 5 1HB TYR 5 -7.232 0.702 0.375
22 2HB TYR 5 2HB TYR 5 -5.816 -0.311 0.142
23 HD1 TYR 5 HD1 TYR 5 -6.286 -2.106 -1.258
24 HD2 TYR 5 HD2 TYR 5 -9.240 -0.944 1.585
25 HE1 TYR 5 HE1 TYR 5 -7.721 -3.951 -1.982
26 HE2 TYR 5 HE2 TYR 5 -10.664 -2.792 0.859
27 HH TYR 5 HH TYR 5 -10.780 -4.175 -1.582
28 HA PRO 6 HA PRO 6 -4.608 -2.705 4.929
29 1HB PRO 6 2HB PRO 6 -6.213 -5.146 4.735
30 2HB PRO 6 1HB PRO 6 -5.909 -4.111 6.119
31 1HG PRO 6 2HG PRO 6 -8.296 -4.244 4.529
32 2HG PRO 6 1HG PRO 6 -7.983 -3.214 5.917
33 1HD PRO 6 1HD PRO 6 -8.189 -2.406 3.174
34 2HD PRO 6 2HD PRO 6 -7.753 -1.385 4.555
35 HA PRO 7 HA PRO 7 -3.535 -6.367 2.023
36 1HB PRO 7 1HB PRO 7 -4.644 -6.369 -0.493
37 2HB PRO 7 2HB PRO 7 -5.209 -7.329 0.861
38 1HG PRO 7 2HG PRO 7 -6.338 -4.852 -0.289
39 2HG PRO 7 1HG PRO 7 -7.167 -6.172 0.526
40 1HD PRO 7 2HD PRO 7 -6.588 -3.678 1.672
41 2HD PRO 7 1HD PRO 7 -6.931 -5.141 2.615
42 H CYS 8 H CYS 8 -4.273 -3.265 0.492
43 HA CYS 8 HA CYS 8 -2.017 -3.268 -1.311
44 1HB CYS 8 2HB CYS 8 -3.894 -1.644 -1.557
45 2HB CYS 8 1HB CYS 8 -3.405 -0.903 -0.055
46 H PHE 9 H PHE 9 -2.589 -2.188 1.957
47 HA PHE 9 HA PHE 9 0.004 -0.973 2.355
48 1HB PHE 9 2HB PHE 9 -2.123 -0.511 3.756
49 2HB PHE 9 1HB PHE 9 -1.861 -2.070 4.515
50 HD1 PHE 9 HD1 PHE 9 -0.102 1.104 3.712
51 HD2 PHE 9 HD2 PHE 9 -0.324 -2.215 6.377
52 HE1 PHE 9 HE1 PHE 9 1.579 2.142 5.142
53 HE2 PHE 9 HE2 PHE 9 1.371 -1.161 7.812
54 HZ PHE 9 HZ PHE 9 2.332 1.026 7.182
55 H ALA 10 H ALA 10 -1.350 -4.168 2.651
56 HA ALA 10 HA ALA 10 0.759 -5.351 4.221
57 1HB ALA 10 1HB ALA 10 -1.471 -6.436 3.917
58 2HB ALA 10 2HB ALA 10 -0.182 -7.513 3.402
59 3HB ALA 10 3HB ALA 10 -1.138 -6.657 2.208
60 H THR 11 H THR 11 0.437 -4.352 0.989
61 HA THR 11 HA THR 11 2.694 -5.950 -0.053
62 HB THR 11 HB THR 11 1.013 -3.761 -1.451
63 HG1 THR 11 HG1 THR 11 -0.180 -5.541 -0.712
64 1HG2 THR 11 1HG2 THR 11 3.229 -4.470 -2.594
65 2HG2 THR 11 2HG2 THR 11 1.793 -4.900 -3.507
66 3HG2 THR 11 3HG2 THR 11 2.633 -6.123 -2.567
67 H ASN 12 H ASN 12 1.922 -2.815 1.204
68 HA ASN 12 HA ASN 12 4.783 -2.009 1.082
69 1HB ASN 12 2HB ASN 12 3.578 -0.910 -0.814
70 2HB ASN 12 1HB ASN 12 2.390 -0.279 0.314
71 1HD2 ASN 12 1HD2 ASN 12 3.484 1.686 -1.053
72 2HD2 ASN 12 2HD2 ASN 12 4.715 2.503 -0.216
73 HA PRO 13 HA PRO 13 2.747 -1.564 5.229
74 1HB PRO 13 2HB PRO 13 4.755 -2.943 6.614
75 2HB PRO 13 1HB PRO 13 3.232 -3.628 6.066
76 1HG PRO 13 2HG PRO 13 5.941 -4.004 4.951
77 2HG PRO 13 1HG PRO 13 4.512 -5.008 4.751
78 1HD PRO 13 1HD PRO 13 5.594 -3.192 2.830
79 2HD PRO 13 2HD PRO 13 4.038 -4.031 2.726
80 H ASP 14 H ASP 14 5.555 -0.710 3.702
81 HA ASP 14 HA ASP 14 6.763 0.869 5.861
82 1HB ASP 14 2HB ASP 14 7.473 0.606 2.906
83 2HB ASP 14 1HB ASP 14 8.473 1.378 4.127
84 H CYS 15 H CYS 15 4.078 1.379 4.120
85 HA CYS 15 HA CYS 15 4.619 4.202 3.391
86 1HB CYS 15 1HB CYS 15 3.344 2.723 1.874
87 2HB CYS 15 2HB CYS 15 2.124 2.504 3.087
88 1HN NH2 16 1H CYS 15 3.923 2.721 6.253
89 2HN NH2 16 2H CYS 15 2.971 3.923 6.982
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 -4.659 7.815 -1.979
2 2H GLY 1 2HT GLY 1 -5.775 6.814 -2.777
3 3H GLY 1 3HT GLY 1 -4.197 6.259 -2.480
4 1HA GLY 1 1HA GLY 1 -4.737 6.612 -0.025
5 2HA GLY 1 2HA GLY 1 -6.414 6.638 -0.576
6 H CYS 2 H CYS 2 -3.597 4.786 -1.626
7 HA CYS 2 HA CYS 2 -5.153 2.268 -1.606
8 1HB CYS 2 1HB CYS 2 -3.580 2.983 -3.452
9 2HB CYS 2 2HB CYS 2 -2.262 2.812 -2.340
10 H CYS 3 H CYS 3 -2.468 3.846 0.033
11 HA CYS 3 HA CYS 3 -1.571 1.703 1.665
12 1HB CYS 3 2HB CYS 3 -1.626 4.672 2.247
13 2HB CYS 3 1HB CYS 3 -0.693 3.507 3.144
14 H SER 4 H SER 4 -4.418 3.601 1.871
15 HA SER 4 HA SER 4 -4.973 2.921 4.693
16 1HB SER 4 2HB SER 4 -7.046 4.324 4.294
17 2HB SER 4 1HB SER 4 -5.581 5.191 3.812
18 HG SER 4 HG SER 4 -5.913 4.337 1.694
19 H TYR 5 H TYR 5 -5.007 1.201 2.051
20 HA TYR 5 HA TYR 5 -7.549 -0.269 2.574
21 1HB TYR 5 1HB TYR 5 -7.245 0.707 0.245
22 2HB TYR 5 2HB TYR 5 -5.801 -0.275 0.065
23 HD1 TYR 5 HD1 TYR 5 -6.183 -2.019 -1.410
24 HD2 TYR 5 HD2 TYR 5 -9.250 -1.038 1.381
25 HE1 TYR 5 HE1 TYR 5 -7.531 -3.888 -2.226
26 HE2 TYR 5 HE2 TYR 5 -10.590 -2.911 0.564
27 HH TYR 5 HH TYR 5 -10.744 -4.229 -1.663
28 HA PRO 6 HA PRO 6 -4.669 -2.637 4.860
29 1HB PRO 6 2HB PRO 6 -6.226 -5.109 4.695
30 2HB PRO 6 1HB PRO 6 -5.965 -4.042 6.061
31 1HG PRO 6 2HG PRO 6 -8.322 -4.261 4.434
32 2HG PRO 6 1HG PRO 6 -8.059 -3.200 5.809
33 1HD PRO 6 1HD PRO 6 -8.232 -2.444 3.046
34 2HD PRO 6 2HD PRO 6 -7.852 -1.389 4.419
35 HA PRO 7 HA PRO 7 -3.519 -6.323 2.009
36 1HB PRO 7 1HB PRO 7 -4.581 -6.317 -0.534
37 2HB PRO 7 2HB PRO 7 -5.137 -7.305 0.801
38 1HG PRO 7 2HG PRO 7 -6.341 -4.882 -0.363
39 2HG PRO 7 1HG PRO 7 -7.112 -6.204 0.498
40 1HD PRO 7 2HD PRO 7 -6.563 -3.649 1.554
41 2HD PRO 7 1HD PRO 7 -6.936 -5.078 2.535
42 H CYS 8 H CYS 8 -4.234 -3.231 0.464
43 HA CYS 8 HA CYS 8 -1.956 -3.213 -1.303
44 1HB CYS 8 2HB CYS 8 -3.834 -1.603 -1.566
45 2HB CYS 8 1HB CYS 8 -3.382 -0.882 -0.042
46 H PHE 9 H PHE 9 -2.562 -2.123 1.966
47 HA PHE 9 HA PHE 9 0.031 -0.913 2.381
48 1HB PHE 9 2HB PHE 9 -2.110 -0.470 3.785
49 2HB PHE 9 1HB PHE 9 -1.823 -2.027 4.542
50 HD1 PHE 9 HD1 PHE 9 -0.054 -2.282 6.219
51 HD2 PHE 9 HD2 PHE 9 -0.318 1.290 3.907
52 HE1 PHE 9 HE1 PHE 9 1.636 -1.217 7.650
53 HE2 PHE 9 HE2 PHE 9 1.358 2.341 5.338
54 HZ PHE 9 HZ PHE 9 2.353 1.101 7.195
55 H ALA 10 H ALA 10 -1.356 -4.090 2.752
56 HA ALA 10 HA ALA 10 0.769 -5.294 4.271
57 1HB ALA 10 1HB ALA 10 -1.486 -6.329 4.060
58 2HB ALA 10 2HB ALA 10 -0.242 -7.444 3.518
59 3HB ALA 10 3HB ALA 10 -1.218 -6.582 2.344
60 H THR 11 H THR 11 0.481 -4.287 1.050
61 HA THR 11 HA THR 11 2.605 -6.048 -0.008
62 HB THR 11 HB THR 11 1.086 -3.729 -1.380
63 HG1 THR 11 HG1 THR 11 0.748 -6.541 -1.180
64 1HG2 THR 11 1HG2 THR 11 1.807 -4.880 -3.454
65 2HG2 THR 11 2HG2 THR 11 2.576 -6.161 -2.529
66 3HG2 THR 11 3HG2 THR 11 3.258 -4.542 -2.528
67 H ASN 12 H ASN 12 2.054 -2.817 1.185
68 HA ASN 12 HA ASN 12 4.979 -2.274 1.155
69 1HB ASN 12 2HB ASN 12 3.894 -1.137 -0.817
70 2HB ASN 12 1HB ASN 12 2.800 -0.329 0.294
71 1HD2 ASN 12 1HD2 ASN 12 5.742 0.015 -1.331
72 2HD2 ASN 12 2HD2 ASN 12 6.427 1.250 -0.389
73 HA PRO 13 HA PRO 13 2.877 -1.600 5.235
74 1HB PRO 13 2HB PRO 13 5.057 -2.845 6.599
75 2HB PRO 13 1HB PRO 13 3.445 -3.495 6.348
76 1HG PRO 13 2HG PRO 13 5.926 -4.278 5.056
77 2HG PRO 13 1HG PRO 13 4.349 -5.043 4.942
78 1HD PRO 13 2HD PRO 13 5.666 -3.423 2.946
79 2HD PRO 13 1HD PRO 13 4.063 -4.174 2.846
80 H ASP 14 H ASP 14 5.717 -0.807 3.687
81 HA ASP 14 HA ASP 14 6.918 0.895 5.717
82 1HB ASP 14 2HB ASP 14 8.259 -0.299 4.003
83 2HB ASP 14 1HB ASP 14 7.444 0.583 2.728
84 H CYS 15 H CYS 15 4.102 1.324 4.111
85 HA CYS 15 HA CYS 15 4.547 4.152 3.335
86 1HB CYS 15 2HB CYS 15 3.073 2.687 1.956
87 2HB CYS 15 1HB CYS 15 1.994 2.502 3.305
88 1HN NH2 16 1H CYS 15 3.929 2.579 6.241
89 2HN NH2 16 2H CYS 15 3.136 3.840 7.058
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 -7.805 6.447 -0.804
2 2H GLY 1 2HT GLY 1 -8.060 5.466 0.561
3 3H GLY 1 3HT GLY 1 -7.875 4.758 -0.972
4 1HA GLY 1 1HA GLY 1 -5.594 6.003 -0.919
5 2HA GLY 1 2HA GLY 1 -5.858 5.882 0.823
6 H CYS 2 H CYS 2 -4.474 4.369 -1.712
7 HA CYS 2 HA CYS 2 -5.098 1.584 -1.271
8 1HB CYS 2 2HB CYS 2 -4.019 2.728 -3.299
9 2HB CYS 2 1HB CYS 2 -2.551 2.814 -2.380
10 H CYS 3 H CYS 3 -2.788 3.893 -0.050
11 HA CYS 3 HA CYS 3 -1.128 2.199 1.552
12 1HB CYS 3 2HB CYS 3 -0.574 4.501 0.903
13 2HB CYS 3 1HB CYS 3 -1.937 5.112 1.784
14 H SER 4 H SER 4 -4.251 3.560 1.977
15 HA SER 4 HA SER 4 -4.450 2.760 4.830
16 1HB SER 4 1HB SER 4 -5.262 5.039 4.180
17 2HB SER 4 2HB SER 4 -6.411 4.306 3.053
18 HG SER 4 HG SER 4 -7.100 4.765 5.326
19 H TYR 5 H TYR 5 -4.990 1.501 1.799
20 HA TYR 5 HA TYR 5 -7.359 -0.114 2.459
21 1HB TYR 5 1HB TYR 5 -7.029 0.840 0.157
22 2HB TYR 5 2HB TYR 5 -5.565 -0.114 -0.005
23 HD1 TYR 5 HD1 TYR 5 -5.961 -1.712 -1.635
24 HD2 TYR 5 HD2 TYR 5 -8.962 -1.077 1.322
25 HE1 TYR 5 HE1 TYR 5 -7.245 -3.588 -2.530
26 HE2 TYR 5 HE2 TYR 5 -10.238 -2.957 0.426
27 HH TYR 5 HH TYR 5 -9.615 -5.125 -0.930
28 HA PRO 6 HA PRO 6 -4.535 -2.552 4.771
29 1HB PRO 6 2HB PRO 6 -6.242 -4.929 4.731
30 2HB PRO 6 1HB PRO 6 -5.873 -3.839 6.053
31 1HG PRO 6 1HG PRO 6 -8.291 -3.964 4.516
32 2HG PRO 6 2HG PRO 6 -7.915 -2.869 5.836
33 1HD PRO 6 2HD PRO 6 -8.131 -2.221 3.049
34 2HD PRO 6 1HD PRO 6 -7.663 -1.133 4.367
35 HA PRO 7 HA PRO 7 -3.681 -6.367 1.950
36 1HB PRO 7 1HB PRO 7 -4.799 -6.246 -0.578
37 2HB PRO 7 2HB PRO 7 -5.340 -7.261 0.740
38 1HG PRO 7 2HG PRO 7 -6.534 -4.807 -0.329
39 2HG PRO 7 1HG PRO 7 -7.283 -6.105 0.579
40 1HD PRO 7 2HD PRO 7 -6.600 -3.549 1.575
41 2HD PRO 7 1HD PRO 7 -7.002 -4.950 2.587
42 H CYS 8 H CYS 8 -4.291 -3.277 0.338
43 HA CYS 8 HA CYS 8 -1.982 -3.373 -1.385
44 1HB CYS 8 2HB CYS 8 -3.726 -1.815 -1.881
45 2HB CYS 8 1HB CYS 8 -3.591 -1.057 -0.327
46 H PHE 9 H PHE 9 -2.602 -2.171 1.833
47 HA PHE 9 HA PHE 9 0.000 -0.956 2.210
48 1HB PHE 9 2HB PHE 9 -2.085 -0.339 3.551
49 2HB PHE 9 1HB PHE 9 -1.990 -1.903 4.333
50 HD1 PHE 9 HD1 PHE 9 0.086 1.091 3.576
51 HD2 PHE 9 HD2 PHE 9 -0.583 -2.132 6.283
52 HE1 PHE 9 HE1 PHE 9 1.781 1.994 5.085
53 HE2 PHE 9 HE2 PHE 9 1.128 -1.209 7.788
54 HZ PHE 9 HZ PHE 9 2.322 0.874 7.160
55 H ALA 10 H ALA 10 -1.394 -4.117 2.597
56 HA ALA 10 HA ALA 10 0.667 -5.266 4.259
57 1HB ALA 10 1HB ALA 10 -0.291 -7.445 3.519
58 2HB ALA 10 2HB ALA 10 -1.220 -6.630 2.276
59 3HB ALA 10 3HB ALA 10 -1.572 -6.334 3.969
60 H THR 11 H THR 11 0.453 -4.343 1.008
61 HA THR 11 HA THR 11 2.662 -6.051 0.046
62 HB THR 11 HB THR 11 1.097 -3.818 -1.417
63 HG1 THR 11 HG1 THR 11 -0.212 -5.508 -0.766
64 1HG2 THR 11 1HG2 THR 11 1.904 -4.988 -3.444
65 2HG2 THR 11 2HG2 THR 11 2.695 -6.221 -2.475
66 3HG2 THR 11 3HG2 THR 11 3.322 -4.581 -2.494
67 H ASN 12 H ASN 12 1.980 -2.833 1.195
68 HA ASN 12 HA ASN 12 4.884 -2.187 1.186
69 1HB ASN 12 2HB ASN 12 3.766 -1.102 -0.805
70 2HB ASN 12 1HB ASN 12 2.642 -0.324 0.297
71 1HD2 ASN 12 1HD2 ASN 12 5.548 0.122 -1.347
72 2HD2 ASN 12 2HD2 ASN 12 6.200 1.385 -0.417
73 HA PRO 13 HA PRO 13 2.744 -1.515 5.256
74 1HB PRO 13 2HB PRO 13 4.921 -2.814 6.600
75 2HB PRO 13 1HB PRO 13 3.275 -3.392 6.407
76 1HG PRO 13 2HG PRO 13 5.652 -4.370 5.103
77 2HG PRO 13 1HG PRO 13 4.009 -4.969 4.944
78 1HD PRO 13 2HD PRO 13 5.531 -3.389 3.026
79 2HD PRO 13 1HD PRO 13 3.922 -4.105 2.835
80 H ASP 14 H ASP 14 5.523 -0.710 3.653
81 HA ASP 14 HA ASP 14 6.840 0.906 5.674
82 1HB ASP 14 2HB ASP 14 8.082 -0.213 3.843
83 2HB ASP 14 1HB ASP 14 7.196 0.717 2.652
84 H CYS 15 H CYS 15 3.967 1.431 4.039
85 HA CYS 15 HA CYS 15 4.456 4.312 3.554
86 1HB CYS 15 1HB CYS 15 3.101 2.977 1.956
87 2HB CYS 15 2HB CYS 15 1.920 2.668 3.186
88 1HN NH2 16 1H CYS 15 3.924 2.633 6.324
89 2HN NH2 16 2H CYS 15 2.983 3.758 7.179
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 -7.244 4.078 -2.572
2 2H GLY 1 2HT GLY 1 -7.759 5.558 -1.916
3 3H GLY 1 3HT GLY 1 -7.912 4.129 -1.012
4 1HA GLY 1 1HA GLY 1 -5.336 5.316 -1.873
5 2HA GLY 1 2HA GLY 1 -6.043 5.504 -0.266
6 H CYS 2 H CYS 2 -4.084 3.616 -2.203
7 HA CYS 2 HA CYS 2 -4.406 0.980 -1.240
8 1HB CYS 2 1HB CYS 2 -3.045 1.505 -3.158
9 2HB CYS 2 2HB CYS 2 -1.949 2.452 -2.190
10 H CYS 3 H CYS 3 -2.380 3.566 -0.066
11 HA CYS 3 HA CYS 3 -1.009 2.212 2.002
12 1HB CYS 3 2HB CYS 3 -0.481 4.442 1.058
13 2HB CYS 3 1HB CYS 3 -1.894 5.096 1.827
14 H SER 4 H SER 4 -4.169 3.581 1.812
15 HA SER 4 HA SER 4 -4.760 3.203 4.689
16 1HB SER 4 1HB SER 4 -5.522 5.306 3.576
17 2HB SER 4 2HB SER 4 -6.487 4.353 2.438
18 HG SER 4 HG SER 4 -7.687 3.573 4.113
19 H TYR 5 H TYR 5 -5.117 1.567 1.715
20 HA TYR 5 HA TYR 5 -7.406 -0.071 2.581
21 1HB TYR 5 1HB TYR 5 -7.103 0.717 0.173
22 2HB TYR 5 2HB TYR 5 -5.677 -0.305 0.079
23 HD1 TYR 5 HD1 TYR 5 -8.914 -1.251 1.749
24 HD2 TYR 5 HD2 TYR 5 -6.352 -1.798 -1.608
25 HE1 TYR 5 HE1 TYR 5 -10.265 -3.144 1.024
26 HE2 TYR 5 HE2 TYR 5 -7.710 -3.696 -2.331
27 HH TYR 5 HH TYR 5 -10.757 -4.322 -1.181
28 HA PRO 6 HA PRO 6 -4.330 -2.331 4.909
29 1HB PRO 6 2HB PRO 6 -6.131 -4.614 5.218
30 2HB PRO 6 1HB PRO 6 -5.542 -3.474 6.414
31 1HG PRO 6 1HG PRO 6 -8.144 -3.553 5.240
32 2HG PRO 6 2HG PRO 6 -7.524 -2.362 6.372
33 1HD PRO 6 2HD PRO 6 -8.084 -2.005 3.567
34 2HD PRO 6 1HD PRO 6 -7.458 -0.802 4.706
35 HA PRO 7 HA PRO 7 -4.020 -6.391 2.375
36 1HB PRO 7 1HB PRO 7 -5.469 -6.567 0.045
37 2HB PRO 7 2HB PRO 7 -5.937 -7.275 1.579
38 1HG PRO 7 2HG PRO 7 -6.962 -4.841 0.248
39 2HG PRO 7 1HG PRO 7 -7.786 -5.941 1.343
40 1HD PRO 7 2HD PRO 7 -6.781 -3.412 2.022
41 2HD PRO 7 1HD PRO 7 -7.162 -4.676 3.208
42 H CYS 8 H CYS 8 -4.532 -3.349 0.691
43 HA CYS 8 HA CYS 8 -2.453 -3.946 -1.313
44 1HB CYS 8 2HB CYS 8 -4.437 -2.509 -1.787
45 2HB CYS 8 1HB CYS 8 -3.794 -1.301 -0.699
46 H PHE 9 H PHE 9 -2.816 -2.443 1.767
47 HA PHE 9 HA PHE 9 -0.321 -0.952 1.845
48 1HB PHE 9 2HB PHE 9 -2.236 -0.401 3.341
49 2HB PHE 9 1HB PHE 9 -2.144 -1.986 4.082
50 HD1 PHE 9 HD1 PHE 9 -0.513 -2.463 5.791
51 HD2 PHE 9 HD2 PHE 9 -0.330 1.229 3.679
52 HE1 PHE 9 HE1 PHE 9 1.127 -1.614 7.407
53 HE2 PHE 9 HE2 PHE 9 1.297 2.069 5.300
54 HZ PHE 9 HZ PHE 9 2.041 0.666 7.150
55 H ALA 10 H ALA 10 -1.325 -4.211 2.269
56 HA ALA 10 HA ALA 10 0.812 -5.227 3.873
57 1HB ALA 10 1HB ALA 10 -0.880 -6.642 1.772
58 2HB ALA 10 2HB ALA 10 -1.287 -6.482 3.473
59 3HB ALA 10 3HB ALA 10 0.100 -7.443 2.985
60 H THR 11 H THR 11 0.709 -4.202 0.600
61 HA THR 11 HA THR 11 3.097 -5.769 -0.199
62 HB THR 11 HB THR 11 2.784 -4.660 -2.440
63 HG1 THR 11 HG1 THR 11 0.925 -3.174 -2.447
64 1HG2 THR 11 1HG2 THR 11 1.112 -6.532 -1.864
65 2HG2 THR 11 2HG2 THR 11 0.441 -5.321 -2.944
66 3HG2 THR 11 3HG2 THR 11 0.024 -5.304 -1.239
67 H ASN 12 H ASN 12 2.154 -2.661 0.948
68 HA ASN 12 HA ASN 12 4.998 -1.781 1.082
69 1HB ASN 12 2HB ASN 12 3.816 -0.610 -0.821
70 2HB ASN 12 1HB ASN 12 2.590 -0.055 0.306
71 1HD2 ASN 12 1HD2 ASN 12 4.241 1.712 -1.259
72 2HD2 ASN 12 2HD2 ASN 12 5.213 2.609 -0.196
73 HA PRO 13 HA PRO 13 2.704 -1.691 5.112
74 1HB PRO 13 2HB PRO 13 4.739 -3.032 6.515
75 2HB PRO 13 1HB PRO 13 3.270 -3.764 5.889
76 1HG PRO 13 2HG PRO 13 6.026 -3.965 4.861
77 2HG PRO 13 1HG PRO 13 4.648 -5.010 4.542
78 1HD PRO 13 2HD PRO 13 5.738 -3.043 2.777
79 2HD PRO 13 1HD PRO 13 4.228 -3.939 2.552
80 H ASP 14 H ASP 14 5.551 -0.656 3.777
81 HA ASP 14 HA ASP 14 6.608 0.863 6.037
82 1HB ASP 14 2HB ASP 14 7.375 0.835 3.085
83 2HB ASP 14 1HB ASP 14 8.309 1.585 4.371
84 H CYS 15 H CYS 15 3.916 1.398 4.243
85 HA CYS 15 HA CYS 15 4.411 4.263 3.703
86 1HB CYS 15 1HB CYS 15 2.959 2.864 2.169
87 2HB CYS 15 2HB CYS 15 1.813 2.697 3.456
88 1HN NH2 16 1H CYS 15 2.746 5.888 4.625
89 2HN NH2 16 2H CYS 15 2.299 5.692 6.251
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 -1.673 5.565 -4.882
2 2H GLY 1 2HT GLY 1 -3.366 5.416 -4.876
3 3H GLY 1 3HT GLY 1 -2.399 4.132 -4.328
4 1HA GLY 1 1HA GLY 1 -1.542 5.683 -2.564
5 2HA GLY 1 2HA GLY 1 -2.868 6.747 -3.035
6 H CYS 2 H CYS 2 -2.926 3.246 -3.035
7 HA CYS 2 HA CYS 2 -5.329 3.206 -1.355
8 1HB CYS 2 1HB CYS 2 -5.191 1.853 -3.367
9 2HB CYS 2 2HB CYS 2 -3.745 1.066 -2.799
10 H CYS 3 H CYS 3 -2.594 3.857 -0.280
11 HA CYS 3 HA CYS 3 -1.511 1.939 1.452
12 1HB CYS 3 2HB CYS 3 -0.447 4.032 0.985
13 2HB CYS 3 1HB CYS 3 -1.780 4.935 1.633
14 H SER 4 H SER 4 -4.429 3.734 1.820
15 HA SER 4 HA SER 4 -4.740 3.085 4.680
16 1HB SER 4 2HB SER 4 -6.836 4.481 4.445
17 2HB SER 4 1HB SER 4 -5.416 5.335 3.826
18 HG SER 4 HG SER 4 -5.942 4.383 1.755
19 H TYR 5 H TYR 5 -4.858 1.093 2.343
20 HA TYR 5 HA TYR 5 -7.413 -0.232 3.176
21 1HB TYR 5 1HB TYR 5 -7.377 0.696 0.774
22 2HB TYR 5 2HB TYR 5 -6.077 -0.453 0.471
23 HD1 TYR 5 HD1 TYR 5 -9.361 -0.759 2.284
24 HD2 TYR 5 HD2 TYR 5 -6.865 -2.220 -0.845
25 HE1 TYR 5 HE1 TYR 5 -11.000 -2.499 1.786
26 HE2 TYR 5 HE2 TYR 5 -8.515 -3.957 -1.338
27 HH TYR 5 HH TYR 5 -11.620 -3.895 -0.321
28 HA PRO 6 HA PRO 6 -4.426 -2.828 5.033
29 1HB PRO 6 2HB PRO 6 -6.097 -5.220 4.937
30 2HB PRO 6 1HB PRO 6 -5.657 -4.216 6.307
31 1HG PRO 6 1HG PRO 6 -8.167 -4.275 4.898
32 2HG PRO 6 2HG PRO 6 -7.738 -3.316 6.305
33 1HD PRO 6 2HD PRO 6 -8.150 -2.369 3.645
34 2HD PRO 6 1HD PRO 6 -7.555 -1.423 5.020
35 HA PRO 7 HA PRO 7 -3.780 -6.443 1.920
36 1HB PRO 7 1HB PRO 7 -5.074 -6.223 -0.506
37 2HB PRO 7 2HB PRO 7 -5.560 -7.265 0.816
38 1HG PRO 7 2HG PRO 7 -6.702 -4.698 -0.065
39 2HG PRO 7 1HG PRO 7 -7.493 -6.040 0.748
40 1HD PRO 7 2HD PRO 7 -6.744 -3.634 1.977
41 2HD PRO 7 1HD PRO 7 -7.036 -5.140 2.865
42 H CYS 8 H CYS 8 -4.467 -3.229 0.607
43 HA CYS 8 HA CYS 8 -2.286 -3.278 -1.300
44 1HB CYS 8 1HB CYS 8 -3.771 -0.994 -0.050
45 2HB CYS 8 2HB CYS 8 -2.545 -0.764 -1.264
46 H PHE 9 H PHE 9 -2.723 -2.161 1.980
47 HA PHE 9 HA PHE 9 -0.136 -0.922 2.270
48 1HB PHE 9 2HB PHE 9 -2.162 -0.468 3.749
49 2HB PHE 9 1HB PHE 9 -1.955 -2.062 4.447
50 HD1 PHE 9 HD1 PHE 9 -0.171 -2.472 6.088
51 HD2 PHE 9 HD2 PHE 9 -0.339 1.214 3.954
52 HE1 PHE 9 HE1 PHE 9 1.559 -1.530 7.558
53 HE2 PHE 9 HE2 PHE 9 1.371 2.140 5.423
54 HZ PHE 9 HZ PHE 9 2.343 0.789 7.207
55 H ALA 10 H ALA 10 -1.359 -4.148 2.488
56 HA ALA 10 HA ALA 10 0.729 -5.361 4.023
57 1HB ALA 10 1HB ALA 10 -1.061 -6.595 1.888
58 2HB ALA 10 2HB ALA 10 -1.439 -6.479 3.598
59 3HB ALA 10 3HB ALA 10 -0.113 -7.492 3.056
60 H THR 11 H THR 11 0.607 -4.303 0.725
61 HA THR 11 HA THR 11 2.962 -5.929 -0.054
62 HB THR 11 HB THR 11 2.668 -4.836 -2.313
63 HG1 THR 11 HG1 THR 11 1.520 -3.018 -0.764
64 1HG2 THR 11 1HG2 THR 11 -0.068 -5.558 -1.120
65 2HG2 THR 11 2HG2 THR 11 1.065 -6.748 -1.738
66 3HG2 THR 11 3HG2 THR 11 0.351 -5.568 -2.824
67 H ASN 12 H ASN 12 2.156 -2.812 1.167
68 HA ASN 12 HA ASN 12 5.022 -2.030 1.163
69 1HB ASN 12 2HB ASN 12 3.821 -0.890 -0.755
70 2HB ASN 12 1HB ASN 12 2.683 -0.226 0.406
71 1HD2 ASN 12 1HD2 ASN 12 5.408 0.566 -1.317
72 2HD2 ASN 12 2HD2 ASN 12 6.070 1.754 -0.301
73 HA PRO 13 HA PRO 13 2.948 -1.688 5.294
74 1HB PRO 13 2HB PRO 13 5.235 -2.918 6.515
75 2HB PRO 13 1HB PRO 13 3.623 -3.590 6.331
76 1HG PRO 13 2HG PRO 13 6.025 -4.331 4.911
77 2HG PRO 13 1HG PRO 13 4.428 -5.049 4.781
78 1HD PRO 13 2HD PRO 13 5.753 -3.293 2.882
79 2HD PRO 13 1HD PRO 13 4.178 -4.086 2.722
80 H ASP 14 H ASP 14 5.733 -0.771 3.703
81 HA ASP 14 HA ASP 14 7.011 0.857 5.712
82 1HB ASP 14 2HB ASP 14 8.226 -0.119 3.788
83 2HB ASP 14 1HB ASP 14 7.247 0.808 2.670
84 H CYS 15 H CYS 15 4.078 1.320 4.138
85 HA CYS 15 HA CYS 15 4.394 4.239 3.809
86 1HB CYS 15 1HB CYS 15 3.068 2.931 2.176
87 2HB CYS 15 2HB CYS 15 1.966 2.442 3.426
88 1HN NH2 16 1H CYS 15 4.051 2.399 6.502
89 2HN NH2 16 2H CYS 15 3.077 3.423 7.443
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 -2.457 7.539 -1.014
2 2H GLY 1 2HT GLY 1 -3.662 7.764 -2.189
3 3H GLY 1 3HT GLY 1 -2.035 8.071 -2.571
4 1HA GLY 1 1HA GLY 1 -2.741 5.978 -3.520
5 2HA GLY 1 2HA GLY 1 -1.493 5.742 -2.295
6 H CYS 2 H CYS 2 -2.928 3.620 -2.868
7 HA CYS 2 HA CYS 2 -5.320 3.300 -1.248
8 1HB CYS 2 1HB CYS 2 -5.027 2.093 -3.342
9 2HB CYS 2 2HB CYS 2 -3.570 1.342 -2.752
10 H CYS 3 H CYS 3 -2.457 3.821 -0.060
11 HA CYS 3 HA CYS 3 -1.651 1.678 1.570
12 1HB CYS 3 2HB CYS 3 -1.609 4.634 2.189
13 2HB CYS 3 1HB CYS 3 -0.708 3.432 3.066
14 H SER 4 H SER 4 -4.438 3.623 1.862
15 HA SER 4 HA SER 4 -4.933 2.973 4.701
16 1HB SER 4 1HB SER 4 -5.458 5.262 3.811
17 2HB SER 4 2HB SER 4 -6.614 4.552 2.678
18 HG SER 4 HG SER 4 -7.898 3.995 4.298
19 H TYR 5 H TYR 5 -4.860 0.990 2.437
20 HA TYR 5 HA TYR 5 -7.472 -0.338 3.012
21 1HB TYR 5 1HB TYR 5 -7.346 0.667 0.646
22 2HB TYR 5 2HB TYR 5 -5.997 -0.426 0.360
23 HD1 TYR 5 HD1 TYR 5 -9.334 -0.926 2.027
24 HD2 TYR 5 HD2 TYR 5 -6.677 -2.148 -1.071
25 HE1 TYR 5 HE1 TYR 5 -10.884 -2.703 1.397
26 HE2 TYR 5 HE2 TYR 5 -8.238 -3.923 -1.699
27 HH TYR 5 HH TYR 5 -10.889 -4.824 0.260
28 HA PRO 6 HA PRO 6 -4.529 -2.886 4.973
29 1HB PRO 6 2HB PRO 6 -6.154 -5.314 4.704
30 2HB PRO 6 1HB PRO 6 -5.759 -4.382 6.136
31 1HG PRO 6 1HG PRO 6 -8.235 -4.396 4.698
32 2HG PRO 6 2HG PRO 6 -7.821 -3.436 6.110
33 1HD PRO 6 2HD PRO 6 -8.186 -2.502 3.424
34 2HD PRO 6 1HD PRO 6 -7.668 -1.545 4.822
35 HA PRO 7 HA PRO 7 -3.575 -6.369 1.790
36 1HB PRO 7 1HB PRO 7 -4.694 -6.072 -0.711
37 2HB PRO 7 2HB PRO 7 -5.245 -7.186 0.525
38 1HG PRO 7 2HG PRO 7 -6.393 -4.607 -0.326
39 2HG PRO 7 1HG PRO 7 -7.203 -6.007 0.363
40 1HD PRO 7 2HD PRO 7 -6.616 -3.645 1.745
41 2HD PRO 7 1HD PRO 7 -6.932 -5.192 2.548
42 H CYS 8 H CYS 8 -4.321 -3.169 0.425
43 HA CYS 8 HA CYS 8 -2.013 -3.046 -1.276
44 1HB CYS 8 2HB CYS 8 -3.653 -0.878 -0.009
45 2HB CYS 8 1HB CYS 8 -2.350 -0.528 -1.108
46 H PHE 9 H PHE 9 -2.609 -2.147 2.058
47 HA PHE 9 HA PHE 9 -0.024 -0.893 2.462
48 1HB PHE 9 2HB PHE 9 -2.133 -0.523 3.935
49 2HB PHE 9 1HB PHE 9 -1.824 -2.113 4.610
50 HD1 PHE 9 HD1 PHE 9 -0.245 1.197 4.020
51 HD2 PHE 9 HD2 PHE 9 -0.126 -2.391 6.322
52 HE1 PHE 9 HE1 PHE 9 1.459 2.183 5.469
53 HE2 PHE 9 HE2 PHE 9 1.588 -1.391 7.771
54 HZ PHE 9 HZ PHE 9 2.391 0.906 7.330
55 H ALA 10 H ALA 10 -1.372 -4.087 2.706
56 HA ALA 10 HA ALA 10 0.786 -5.355 4.128
57 1HB ALA 10 1HB ALA 10 -1.474 -6.382 3.940
58 2HB ALA 10 2HB ALA 10 -0.247 -7.472 3.318
59 3HB ALA 10 3HB ALA 10 -1.256 -6.566 2.207
60 H THR 11 H THR 11 0.505 -4.135 0.996
61 HA THR 11 HA THR 11 2.524 -5.923 -0.211
62 HB THR 11 HB THR 11 1.122 -3.428 -1.383
63 HG1 THR 11 HG1 THR 11 0.638 -6.228 -1.429
64 1HG2 THR 11 1HG2 THR 11 1.774 -4.449 -3.548
65 2HG2 THR 11 2HG2 THR 11 2.481 -5.835 -2.732
66 3HG2 THR 11 3HG2 THR 11 3.243 -4.258 -2.608
67 H ASN 12 H ASN 12 2.111 -2.741 1.182
68 HA ASN 12 HA ASN 12 5.051 -2.378 1.288
69 1HB ASN 12 2HB ASN 12 4.141 -1.134 -0.716
70 2HB ASN 12 1HB ASN 12 3.064 -0.278 0.371
71 1HD2 ASN 12 1HD2 ASN 12 4.095 1.206 1.936
72 2HD2 ASN 12 2HD2 ASN 12 5.668 1.803 1.696
73 HA PRO 13 HA PRO 13 2.845 -1.619 5.288
74 1HB PRO 13 2HB PRO 13 5.017 -2.904 6.668
75 2HB PRO 13 1HB PRO 13 3.370 -3.481 6.471
76 1HG PRO 13 2HG PRO 13 5.758 -4.457 5.178
77 2HG PRO 13 1HG PRO 13 4.121 -5.079 5.037
78 1HD PRO 13 2HD PRO 13 5.618 -3.546 3.081
79 2HD PRO 13 1HD PRO 13 3.986 -4.221 2.920
80 H ASP 14 H ASP 14 5.587 -0.758 3.702
81 HA ASP 14 HA ASP 14 6.822 0.926 5.755
82 1HB ASP 14 2HB ASP 14 7.421 0.606 2.781
83 2HB ASP 14 1HB ASP 14 8.447 1.425 3.950
84 H CYS 15 H CYS 15 4.018 1.356 4.207
85 HA CYS 15 HA CYS 15 4.516 4.123 3.252
86 1HB CYS 15 2HB CYS 15 2.957 2.632 1.999
87 2HB CYS 15 1HB CYS 15 1.922 2.547 3.393
88 1HN NH2 16 1H CYS 15 3.825 2.675 6.240
89 2HN NH2 16 2H CYS 15 3.141 4.023 7.015
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 -5.764 6.839 1.129
2 2H GLY 1 2HT GLY 1 -4.794 7.186 -0.222
3 3H GLY 1 3HT GLY 1 -4.512 5.781 0.689
4 1HA GLY 1 1HA GLY 1 -7.194 5.795 -0.173
5 2HA GLY 1 2HA GLY 1 -6.119 6.053 -1.554
6 H CYS 2 H CYS 2 -4.470 4.518 -1.959
7 HA CYS 2 HA CYS 2 -5.249 1.766 -1.586
8 1HB CYS 2 2HB CYS 2 -3.867 2.768 -3.485
9 2HB CYS 2 1HB CYS 2 -2.537 2.906 -2.379
10 H CYS 3 H CYS 3 -2.673 3.821 -0.274
11 HA CYS 3 HA CYS 3 -1.499 2.046 1.589
12 1HB CYS 3 2HB CYS 3 -0.559 4.220 1.024
13 2HB CYS 3 1HB CYS 3 -1.942 5.042 1.679
14 H SER 4 H SER 4 -4.449 3.807 1.692
15 HA SER 4 HA SER 4 -5.008 3.203 4.534
16 1HB SER 4 1HB SER 4 -6.592 4.781 2.434
17 2HB SER 4 2HB SER 4 -7.000 4.685 4.156
18 HG SER 4 HG SER 4 -4.566 5.599 3.028
19 H TYR 5 H TYR 5 -4.816 1.193 2.383
20 HA TYR 5 HA TYR 5 -7.429 -0.170 2.819
21 1HB TYR 5 1HB TYR 5 -7.244 0.804 0.449
22 2HB TYR 5 2HB TYR 5 -5.848 -0.234 0.199
23 HD1 TYR 5 HD1 TYR 5 -9.205 -0.895 1.780
24 HD2 TYR 5 HD2 TYR 5 -6.406 -1.950 -1.256
25 HE1 TYR 5 HE1 TYR 5 -10.655 -2.731 1.081
26 HE2 TYR 5 HE2 TYR 5 -7.867 -3.785 -1.953
27 HH TYR 5 HH TYR 5 -11.083 -4.097 -0.879
28 HA PRO 6 HA PRO 6 -4.422 -2.579 4.886
29 1HB PRO 6 2HB PRO 6 -6.009 -5.032 4.821
30 2HB PRO 6 1HB PRO 6 -5.670 -3.960 6.169
31 1HG PRO 6 1HG PRO 6 -8.112 -4.178 4.660
32 2HG PRO 6 2HG PRO 6 -7.781 -3.131 6.030
33 1HD PRO 6 2HD PRO 6 -8.091 -2.350 3.291
34 2HD PRO 6 1HD PRO 6 -7.640 -1.307 4.651
35 HA PRO 7 HA PRO 7 -3.547 -6.279 1.943
36 1HB PRO 7 1HB PRO 7 -4.696 -6.157 -0.561
37 2HB PRO 7 2HB PRO 7 -5.238 -7.170 0.763
38 1HG PRO 7 2HG PRO 7 -6.383 -4.660 -0.271
39 2HG PRO 7 1HG PRO 7 -7.187 -5.987 0.554
40 1HD PRO 7 2HD PRO 7 -6.536 -3.509 1.710
41 2HD PRO 7 1HD PRO 7 -6.878 -4.975 2.648
42 H CYS 8 H CYS 8 -4.184 -3.110 0.552
43 HA CYS 8 HA CYS 8 -1.999 -3.109 -1.326
44 1HB CYS 8 2HB CYS 8 -3.788 -1.397 -1.426
45 2HB CYS 8 1HB CYS 8 -3.267 -0.823 0.136
46 H PHE 9 H PHE 9 -2.448 -2.041 1.969
47 HA PHE 9 HA PHE 9 0.214 -1.040 2.389
48 1HB PHE 9 2HB PHE 9 -1.829 -0.434 3.814
49 2HB PHE 9 1HB PHE 9 -1.774 -2.048 4.484
50 HD1 PHE 9 HD1 PHE 9 -0.396 -2.422 6.414
51 HD2 PHE 9 HD2 PHE 9 0.445 0.876 3.853
52 HE1 PHE 9 HE1 PHE 9 1.369 -1.670 7.952
53 HE2 PHE 9 HE2 PHE 9 2.200 1.606 5.390
54 HZ PHE 9 HZ PHE 9 2.677 0.368 7.413
55 H ALA 10 H ALA 10 -1.284 -4.167 2.586
56 HA ALA 10 HA ALA 10 0.731 -5.506 4.145
57 1HB ALA 10 1HB ALA 10 -1.540 -6.470 3.763
58 2HB ALA 10 2HB ALA 10 -0.292 -7.588 3.235
59 3HB ALA 10 3HB ALA 10 -1.180 -6.648 2.054
60 H THR 11 H THR 11 0.538 -4.402 0.934
61 HA THR 11 HA THR 11 2.730 -6.094 -0.095
62 HB THR 11 HB THR 11 1.190 -3.789 -1.458
63 HG1 THR 11 HG1 THR 11 -0.058 -5.580 -0.796
64 1HG2 THR 11 1HG2 THR 11 2.003 -4.863 -3.536
65 2HG2 THR 11 2HG2 THR 11 2.795 -6.137 -2.622
66 3HG2 THR 11 3HG2 THR 11 3.416 -4.495 -2.565
67 H ASN 12 H ASN 12 2.098 -2.925 1.208
68 HA ASN 12 HA ASN 12 5.009 -2.325 1.188
69 1HB ASN 12 2HB ASN 12 3.925 -1.115 -0.729
70 2HB ASN 12 1HB ASN 12 2.798 -0.391 0.408
71 1HD2 ASN 12 1HD2 ASN 12 3.642 1.278 1.836
72 2HD2 ASN 12 2HD2 ASN 12 5.176 1.975 1.624
73 HA PRO 13 HA PRO 13 3.043 -1.790 5.347
74 1HB PRO 13 2HB PRO 13 5.344 -3.013 6.544
75 2HB PRO 13 1HB PRO 13 3.721 -3.669 6.417
76 1HG PRO 13 2HG PRO 13 6.088 -4.455 4.949
77 2HG PRO 13 1HG PRO 13 4.493 -5.189 4.907
78 1HD PRO 13 2HD PRO 13 5.730 -3.529 2.884
79 2HD PRO 13 1HD PRO 13 4.127 -4.283 2.835
80 H ASP 14 H ASP 14 5.527 -0.700 3.550
81 HA ASP 14 HA ASP 14 6.974 0.891 5.511
82 1HB ASP 14 2HB ASP 14 7.069 0.889 2.466
83 2HB ASP 14 1HB ASP 14 8.245 1.648 3.528
84 H CYS 15 H CYS 15 3.935 1.319 4.213
85 HA CYS 15 HA CYS 15 4.288 4.254 3.792
86 1HB CYS 15 2HB CYS 15 2.851 2.955 2.191
87 2HB CYS 15 1HB CYS 15 1.780 2.548 3.496
88 1HN NH2 16 1H CYS 15 4.807 3.477 6.442
89 2HN NH2 16 2H CYS 15 3.564 4.043 7.450
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 -7.647 5.035 -1.750
2 2H GLY 1 2HT GLY 1 -7.364 6.702 -1.906
3 3H GLY 1 3HT GLY 1 -8.099 6.093 -0.502
4 1HA GLY 1 1HA GLY 1 -5.316 6.271 -1.193
5 2HA GLY 1 2HA GLY 1 -6.080 6.135 0.393
6 H CYS 2 H CYS 2 -4.377 4.512 -2.023
7 HA CYS 2 HA CYS 2 -5.179 1.786 -1.603
8 1HB CYS 2 2HB CYS 2 -3.796 2.735 -3.501
9 2HB CYS 2 1HB CYS 2 -2.460 2.893 -2.407
10 H CYS 3 H CYS 3 -2.561 3.776 -0.267
11 HA CYS 3 HA CYS 3 -1.439 1.954 1.577
12 1HB CYS 3 2HB CYS 3 -0.443 4.094 1.020
13 2HB CYS 3 1HB CYS 3 -1.797 4.958 1.680
14 H SER 4 H SER 4 -4.394 3.702 1.703
15 HA SER 4 HA SER 4 -4.907 3.058 4.557
16 1HB SER 4 1HB SER 4 -5.384 5.392 3.729
17 2HB SER 4 2HB SER 4 -6.537 4.731 2.563
18 HG SER 4 HG SER 4 -7.854 4.169 4.144
19 H TYR 5 H TYR 5 -4.755 1.093 2.399
20 HA TYR 5 HA TYR 5 -7.418 -0.203 2.750
21 1HB TYR 5 1HB TYR 5 -7.161 0.801 0.398
22 2HB TYR 5 2HB TYR 5 -5.785 -0.270 0.161
23 HD1 TYR 5 HD1 TYR 5 -9.237 -0.748 1.587
24 HD2 TYR 5 HD2 TYR 5 -6.310 -2.062 -1.220
25 HE1 TYR 5 HE1 TYR 5 -10.733 -2.538 0.862
26 HE2 TYR 5 HE2 TYR 5 -7.818 -3.850 -1.942
27 HH TYR 5 HH TYR 5 -11.120 -3.990 -0.960
28 HA PRO 6 HA PRO 6 -4.559 -2.707 4.865
29 1HB PRO 6 2HB PRO 6 -6.147 -5.153 4.665
30 2HB PRO 6 1HB PRO 6 -5.874 -4.113 6.050
31 1HG PRO 6 1HG PRO 6 -8.234 -4.284 4.409
32 2HG PRO 6 2HG PRO 6 -7.974 -3.276 5.822
33 1HD PRO 6 2HD PRO 6 -8.142 -2.415 3.097
34 2HD PRO 6 1HD PRO 6 -7.746 -1.415 4.506
35 HA PRO 7 HA PRO 7 -3.527 -6.349 1.909
36 1HB PRO 7 1HB PRO 7 -4.587 -6.242 -0.630
37 2HB PRO 7 2HB PRO 7 -5.189 -7.241 0.678
38 1HG PRO 7 2HG PRO 7 -6.272 -4.718 -0.407
39 2HG PRO 7 1HG PRO 7 -7.121 -6.048 0.366
40 1HD PRO 7 2HD PRO 7 -6.521 -3.591 1.581
41 2HD PRO 7 1HD PRO 7 -6.900 -5.070 2.483
42 H CYS 8 H CYS 8 -4.162 -3.185 0.514
43 HA CYS 8 HA CYS 8 -1.901 -3.142 -1.276
44 1HB CYS 8 2HB CYS 8 -3.719 -1.491 -1.490
45 2HB CYS 8 1HB CYS 8 -3.312 -0.874 0.090
46 H PHE 9 H PHE 9 -2.497 -2.082 2.003
47 HA PHE 9 HA PHE 9 0.125 -0.983 2.478
48 1HB PHE 9 2HB PHE 9 -2.021 -0.472 3.847
49 2HB PHE 9 1HB PHE 9 -1.816 -2.046 4.589
50 HD1 PHE 9 HD1 PHE 9 0.053 -2.458 6.175
51 HD2 PHE 9 HD2 PHE 9 -0.296 1.263 4.122
52 HE1 PHE 9 HE1 PHE 9 1.771 -1.481 7.633
53 HE2 PHE 9 HE2 PHE 9 1.401 2.224 5.579
54 HZ PHE 9 HZ PHE 9 2.459 0.870 7.320
55 H ALA 10 H ALA 10 -1.299 -4.148 2.649
56 HA ALA 10 HA ALA 10 0.736 -5.418 4.260
57 1HB ALA 10 1HB ALA 10 -0.227 -7.536 3.361
58 2HB ALA 10 2HB ALA 10 -1.125 -6.632 2.158
59 3HB ALA 10 3HB ALA 10 -1.511 -6.445 3.859
60 H THR 11 H THR 11 0.395 -4.464 0.992
61 HA THR 11 HA THR 11 2.741 -5.960 0.005
62 HB THR 11 HB THR 11 0.881 -3.954 -1.433
63 HG1 THR 11 HG1 THR 11 0.009 -5.945 -0.542
64 1HG2 THR 11 1HG2 THR 11 1.753 -5.038 -3.482
65 2HG2 THR 11 2HG2 THR 11 2.736 -6.143 -2.535
66 3HG2 THR 11 3HG2 THR 11 3.143 -4.436 -2.598
67 H ASN 12 H ASN 12 1.876 -2.924 1.331
68 HA ASN 12 HA ASN 12 4.650 -1.901 0.990
69 1HB ASN 12 2HB ASN 12 3.191 -0.810 -0.722
70 2HB ASN 12 1HB ASN 12 2.073 -0.327 0.540
71 1HD2 ASN 12 1HD2 ASN 12 5.187 0.013 1.861
72 2HD2 ASN 12 2HD2 ASN 12 5.432 1.646 1.479
73 HA PRO 13 HA PRO 13 3.022 -1.788 5.335
74 1HB PRO 13 2HB PRO 13 5.348 -3.032 6.376
75 2HB PRO 13 1HB PRO 13 3.777 -3.777 6.131
76 1HG PRO 13 2HG PRO 13 6.229 -4.170 4.599
77 2HG PRO 13 1HG PRO 13 4.732 -5.086 4.528
78 1HD PRO 13 2HD PRO 13 5.687 -3.150 2.615
79 2HD PRO 13 1HD PRO 13 4.161 -4.048 2.577
80 H ASP 14 H ASP 14 5.736 -0.813 3.610
81 HA ASP 14 HA ASP 14 7.025 0.808 5.644
82 1HB ASP 14 2HB ASP 14 8.270 -0.225 3.766
83 2HB ASP 14 1HB ASP 14 7.338 0.704 2.610
84 H CYS 15 H CYS 15 4.098 1.267 4.184
85 HA CYS 15 HA CYS 15 4.458 4.165 3.666
86 1HB CYS 15 2HB CYS 15 2.989 2.845 2.163
87 2HB CYS 15 1HB CYS 15 1.952 2.442 3.501
88 1HN NH2 16 1H CYS 15 3.984 2.330 6.425
89 2HN NH2 16 2H CYS 15 3.175 3.480 7.376
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 -3.024 7.337 -4.263
2 2H GLY 1 2HT GLY 1 -2.834 7.780 -2.634
3 3H GLY 1 3HT GLY 1 -4.261 7.014 -3.145
4 1HA GLY 1 1HA GLY 1 -2.442 5.223 -3.920
5 2HA GLY 1 2HA GLY 1 -1.684 5.888 -2.471
6 H CYS 2 H CYS 2 -2.998 3.268 -3.077
7 HA CYS 2 HA CYS 2 -5.376 3.160 -1.376
8 1HB CYS 2 2HB CYS 2 -5.198 1.806 -3.389
9 2HB CYS 2 1HB CYS 2 -3.736 1.059 -2.809
10 H CYS 3 H CYS 3 -2.611 3.842 -0.349
11 HA CYS 3 HA CYS 3 -1.484 1.971 1.388
12 1HB CYS 3 2HB CYS 3 -0.480 4.074 0.852
13 2HB CYS 3 1HB CYS 3 -1.810 4.961 1.523
14 H SER 4 H SER 4 -4.413 3.762 1.840
15 HA SER 4 HA SER 4 -4.622 3.073 4.705
16 1HB SER 4 1HB SER 4 -5.306 5.344 3.906
17 2HB SER 4 2HB SER 4 -6.536 4.613 2.870
18 HG SER 4 HG SER 4 -6.338 4.130 5.651
19 H TYR 5 H TYR 5 -4.801 1.119 2.341
20 HA TYR 5 HA TYR 5 -7.340 -0.223 3.193
21 1HB TYR 5 1HB TYR 5 -7.307 0.698 0.785
22 2HB TYR 5 2HB TYR 5 -6.004 -0.449 0.485
23 HD1 TYR 5 HD1 TYR 5 -6.820 -2.183 -0.867
24 HD2 TYR 5 HD2 TYR 5 -9.255 -0.801 2.347
25 HE1 TYR 5 HE1 TYR 5 -8.463 -3.926 -1.351
26 HE2 TYR 5 HE2 TYR 5 -10.887 -2.551 1.859
27 HH TYR 5 HH TYR 5 -11.582 -3.955 0.006
28 HA PRO 6 HA PRO 6 -4.306 -2.788 5.042
29 1HB PRO 6 2HB PRO 6 -6.033 -5.165 4.957
30 2HB PRO 6 1HB PRO 6 -5.489 -4.221 6.331
31 1HG PRO 6 2HG PRO 6 -8.074 -4.176 5.116
32 2HG PRO 6 1HG PRO 6 -7.503 -3.174 6.441
33 1HD PRO 6 1HD PRO 6 -8.056 -2.354 3.741
34 2HD PRO 6 2HD PRO 6 -7.432 -1.350 5.060
35 HA PRO 7 HA PRO 7 -3.727 -6.426 1.942
36 1HB PRO 7 1HB PRO 7 -5.037 -6.195 -0.475
37 2HB PRO 7 2HB PRO 7 -5.524 -7.234 0.851
38 1HG PRO 7 2HG PRO 7 -6.640 -4.652 -0.018
39 2HG PRO 7 1HG PRO 7 -7.445 -5.987 0.794
40 1HD PRO 7 2HD PRO 7 -6.668 -3.596 2.025
41 2HD PRO 7 1HD PRO 7 -6.960 -5.102 2.915
42 H CYS 8 H CYS 8 -4.406 -3.214 0.611
43 HA CYS 8 HA CYS 8 -2.225 -3.288 -1.297
44 1HB CYS 8 2HB CYS 8 -3.704 -0.990 -0.060
45 2HB CYS 8 1HB CYS 8 -2.475 -0.769 -1.272
46 H PHE 9 H PHE 9 -2.661 -2.161 1.978
47 HA PHE 9 HA PHE 9 -0.048 -0.965 2.263
48 1HB PHE 9 2HB PHE 9 -2.063 -0.420 3.715
49 2HB PHE 9 1HB PHE 9 -1.939 -2.014 4.419
50 HD1 PHE 9 HD1 PHE 9 -0.032 1.138 3.884
51 HD2 PHE 9 HD2 PHE 9 -0.357 -2.433 6.190
52 HE1 PHE 9 HE1 PHE 9 1.672 1.965 5.429
53 HE2 PHE 9 HE2 PHE 9 1.360 -1.588 7.730
54 HZ PHE 9 HZ PHE 9 2.382 0.626 7.333
55 H ALA 10 H ALA 10 -1.301 -4.173 2.394
56 HA ALA 10 HA ALA 10 0.739 -5.394 4.015
57 1HB ALA 10 1HB ALA 10 -0.990 -6.634 1.825
58 2HB ALA 10 2HB ALA 10 -1.427 -6.517 3.522
59 3HB ALA 10 3HB ALA 10 -0.077 -7.524 3.024
60 H THR 11 H THR 11 0.562 -4.406 0.685
61 HA THR 11 HA THR 11 3.018 -5.891 -0.054
62 HB THR 11 HB THR 11 2.621 -4.902 -2.349
63 HG1 THR 11 HG1 THR 11 1.603 -2.996 -1.061
64 1HG2 THR 11 1HG2 THR 11 -0.036 -5.785 -1.085
65 2HG2 THR 11 2HG2 THR 11 1.176 -6.909 -1.675
66 3HG2 THR 11 3HG2 THR 11 0.362 -5.830 -2.794
67 H ASN 12 H ASN 12 2.061 -2.903 1.237
68 HA ASN 12 HA ASN 12 4.830 -1.851 1.070
69 1HB ASN 12 2HB ASN 12 3.478 -0.766 -0.746
70 2HB ASN 12 1HB ASN 12 2.279 -0.296 0.446
71 1HD2 ASN 12 1HD2 ASN 12 3.249 1.792 -0.926
72 2HD2 ASN 12 2HD2 ASN 12 4.402 2.679 -0.049
73 HA PRO 13 HA PRO 13 2.850 -1.763 5.274
74 1HB PRO 13 2HB PRO 13 5.033 -3.096 6.489
75 2HB PRO 13 1HB PRO 13 3.470 -3.792 6.091
76 1HG PRO 13 2HG PRO 13 6.040 -4.233 4.786
77 2HG PRO 13 1HG PRO 13 4.530 -5.101 4.556
78 1HD PRO 13 2HD PRO 13 5.723 -3.146 2.787
79 2HD PRO 13 1HD PRO 13 4.198 -4.019 2.574
80 H ASP 14 H ASP 14 5.588 -0.704 3.723
81 HA ASP 14 HA ASP 14 6.765 0.825 5.930
82 1HB ASP 14 1HB ASP 14 8.173 -0.240 4.177
83 2HB ASP 14 2HB ASP 14 7.388 0.728 2.945
84 H CYS 15 H CYS 15 3.999 1.284 4.245
85 HA CYS 15 HA CYS 15 4.392 4.167 3.676
86 1HB CYS 15 2HB CYS 15 3.030 2.762 2.115
87 2HB CYS 15 1HB CYS 15 1.896 2.433 3.388
88 1HN NH2 16 1H CYS 15 4.550 3.180 6.499
89 2HN NH2 16 2H CYS 15 3.345 4.027 7.345
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 -4.162 5.965 0.519
2 2H GLY 1 2HT GLY 1 -5.472 6.183 1.575
3 3H GLY 1 3HT GLY 1 -5.143 7.343 0.380
4 1HA GLY 1 1HA GLY 1 -7.046 5.709 -0.031
5 2HA GLY 1 2HA GLY 1 -5.896 6.010 -1.340
6 H CYS 2 H CYS 2 -4.326 4.458 -1.804
7 HA CYS 2 HA CYS 2 -5.091 1.696 -1.421
8 1HB CYS 2 2HB CYS 2 -3.788 2.737 -3.361
9 2HB CYS 2 1HB CYS 2 -2.416 2.851 -2.305
10 H CYS 3 H CYS 3 -2.636 3.863 -0.129
11 HA CYS 3 HA CYS 3 -1.312 2.106 1.682
12 1HB CYS 3 2HB CYS 3 -0.480 4.333 1.066
13 2HB CYS 3 1HB CYS 3 -1.867 5.085 1.789
14 H SER 4 H SER 4 -4.312 3.758 1.775
15 HA SER 4 HA SER 4 -4.875 3.088 4.614
16 1HB SER 4 1HB SER 4 -6.471 4.754 2.590
17 2HB SER 4 2HB SER 4 -6.815 4.622 4.321
18 HG SER 4 HG SER 4 -4.659 5.815 3.007
19 H TYR 5 H TYR 5 -4.677 1.145 2.405
20 HA TYR 5 HA TYR 5 -7.343 -0.153 2.704
21 1HB TYR 5 1HB TYR 5 -7.037 0.876 0.378
22 2HB TYR 5 2HB TYR 5 -5.653 -0.186 0.153
23 HD1 TYR 5 HD1 TYR 5 -9.104 -0.758 1.545
24 HD2 TYR 5 HD2 TYR 5 -6.177 -1.890 -1.338
25 HE1 TYR 5 HE1 TYR 5 -10.578 -2.534 0.748
26 HE2 TYR 5 HE2 TYR 5 -7.662 -3.667 -2.134
27 HH TYR 5 HH TYR 5 -10.308 -4.753 -0.433
28 HA PRO 6 HA PRO 6 -4.513 -2.732 4.806
29 1HB PRO 6 2HB PRO 6 -6.174 -5.126 4.623
30 2HB PRO 6 1HB PRO 6 -5.854 -4.094 6.004
31 1HG PRO 6 2HG PRO 6 -8.242 -4.200 4.407
32 2HG PRO 6 1HG PRO 6 -7.926 -3.191 5.808
33 1HD PRO 6 1HD PRO 6 -8.105 -2.346 3.071
34 2HD PRO 6 2HD PRO 6 -7.687 -1.347 4.473
35 HA PRO 7 HA PRO 7 -3.655 -6.408 1.838
36 1HB PRO 7 1HB PRO 7 -4.750 -6.261 -0.689
37 2HB PRO 7 2HB PRO 7 -5.353 -7.247 0.628
38 1HG PRO 7 2HG PRO 7 -6.400 -4.709 -0.440
39 2HG PRO 7 1HG PRO 7 -7.255 -6.008 0.377
40 1HD PRO 7 2HD PRO 7 -6.545 -3.542 1.534
41 2HD PRO 7 1HD PRO 7 -6.970 -4.994 2.463
42 H CYS 8 H CYS 8 -4.159 -3.204 0.529
43 HA CYS 8 HA CYS 8 -1.914 -3.256 -1.304
44 1HB CYS 8 2HB CYS 8 -3.668 -1.609 -1.602
45 2HB CYS 8 1HB CYS 8 -3.372 -0.975 -0.011
46 H PHE 9 H PHE 9 -2.524 -2.009 1.913
47 HA PHE 9 HA PHE 9 0.106 -0.999 2.424
48 1HB PHE 9 2HB PHE 9 -2.054 -0.433 3.743
49 2HB PHE 9 1HB PHE 9 -1.883 -1.994 4.520
50 HD1 PHE 9 HD1 PHE 9 -0.260 1.255 3.962
51 HD2 PHE 9 HD2 PHE 9 -0.101 -2.370 6.200
52 HE1 PHE 9 HE1 PHE 9 1.429 2.230 5.419
53 HE2 PHE 9 HE2 PHE 9 1.613 -1.380 7.659
54 HZ PHE 9 HZ PHE 9 2.391 0.932 7.250
55 H ALA 10 H ALA 10 -1.310 -4.145 2.528
56 HA ALA 10 HA ALA 10 0.572 -5.438 4.277
57 1HB ALA 10 1HB ALA 10 -0.277 -7.541 3.253
58 2HB ALA 10 2HB ALA 10 -1.068 -6.625 1.987
59 3HB ALA 10 3HB ALA 10 -1.613 -6.475 3.648
60 H THR 11 H THR 11 0.451 -4.774 0.819
61 HA THR 11 HA THR 11 3.073 -6.103 0.405
62 HB THR 11 HB THR 11 1.328 -6.497 -1.331
63 HG1 THR 11 HG1 THR 11 2.648 -5.870 -3.042
64 1HG2 THR 11 1HG2 THR 11 1.497 -3.494 -1.913
65 2HG2 THR 11 2HG2 THR 11 0.099 -4.301 -1.204
66 3HG2 THR 11 3HG2 THR 11 0.597 -4.689 -2.834
67 H ASN 12 H ASN 12 1.957 -3.173 1.463
68 HA ASN 12 HA ASN 12 4.521 -1.835 0.835
69 1HB ASN 12 2HB ASN 12 2.816 -1.026 -0.827
70 2HB ASN 12 1HB ASN 12 1.740 -0.618 0.501
71 1HD2 ASN 12 1HD2 ASN 12 1.796 1.667 -0.211
72 2HD2 ASN 12 2HD2 ASN 12 3.156 2.636 0.104
73 HA PRO 13 HA PRO 13 2.921 -1.704 5.217
74 1HB PRO 13 2HB PRO 13 5.089 -2.987 6.407
75 2HB PRO 13 1HB PRO 13 3.617 -3.788 5.871
76 1HG PRO 13 2HG PRO 13 6.303 -3.784 4.613
77 2HG PRO 13 1HG PRO 13 5.006 -4.961 4.459
78 1HD PRO 13 2HD PRO 13 5.708 -2.972 2.540
79 2HD PRO 13 1HD PRO 13 4.254 -3.973 2.522
80 H ASP 14 H ASP 14 5.609 -0.710 3.536
81 HA ASP 14 HA ASP 14 6.958 0.852 5.569
82 1HB ASP 14 2HB ASP 14 7.178 0.897 2.533
83 2HB ASP 14 1HB ASP 14 8.315 1.647 3.643
84 H CYS 15 H CYS 15 4.005 1.398 4.109
85 HA CYS 15 HA CYS 15 4.439 4.308 3.745
86 1HB CYS 15 1HB CYS 15 3.042 3.050 2.162
87 2HB CYS 15 2HB CYS 15 1.930 2.618 3.423
88 1HN NH2 16 1H CYS 15 2.498 5.707 4.804
89 2HN NH2 16 2H CYS 15 2.269 5.422 6.460
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 -3.129 6.263 -0.678
2 2H GLY 1 2HT GLY 1 -3.676 6.671 0.876
3 3H GLY 1 3HT GLY 1 -3.692 7.834 -0.362
4 1HA GLY 1 1HA GLY 1 -5.898 6.787 0.211
5 2HA GLY 1 2HA GLY 1 -5.437 6.797 -1.496
6 H CYS 2 H CYS 2 -3.848 4.848 -1.932
7 HA CYS 2 HA CYS 2 -5.406 2.440 -1.731
8 1HB CYS 2 2HB CYS 2 -3.781 3.012 -3.540
9 2HB CYS 2 1HB CYS 2 -2.475 2.828 -2.412
10 H CYS 3 H CYS 3 -2.435 3.553 -0.167
11 HA CYS 3 HA CYS 3 -1.893 1.339 1.488
12 1HB CYS 3 2HB CYS 3 -1.448 4.279 2.037
13 2HB CYS 3 1HB CYS 3 -0.704 2.990 2.939
14 H SER 4 H SER 4 -4.488 3.533 1.713
15 HA SER 4 HA SER 4 -4.987 3.059 4.591
16 1HB SER 4 2HB SER 4 -5.427 5.332 3.577
17 2HB SER 4 1HB SER 4 -6.648 4.607 2.521
18 HG SER 4 HG SER 4 -7.885 4.150 4.215
19 H TYR 5 H TYR 5 -5.032 1.035 2.352
20 HA TYR 5 HA TYR 5 -7.640 -0.252 2.974
21 1HB TYR 5 1HB TYR 5 -7.567 0.697 0.596
22 2HB TYR 5 2HB TYR 5 -6.169 -0.319 0.288
23 HD1 TYR 5 HD1 TYR 5 -6.744 -2.040 -1.144
24 HD2 TYR 5 HD2 TYR 5 -9.466 -1.020 1.975
25 HE1 TYR 5 HE1 TYR 5 -8.200 -3.892 -1.800
26 HE2 TYR 5 HE2 TYR 5 -10.913 -2.875 1.315
27 HH TYR 5 HH TYR 5 -11.289 -4.182 -0.996
28 HA PRO 6 HA PRO 6 -4.585 -2.665 4.953
29 1HB PRO 6 2HB PRO 6 -6.138 -5.144 4.860
30 2HB PRO 6 1HB PRO 6 -5.774 -4.102 6.224
31 1HG PRO 6 1HG PRO 6 -8.254 -4.304 4.791
32 2HG PRO 6 2HG PRO 6 -7.884 -3.269 6.160
33 1HD PRO 6 2HD PRO 6 -8.286 -2.461 3.441
34 2HD PRO 6 1HD PRO 6 -7.801 -1.431 4.800
35 HA PRO 7 HA PRO 7 -3.675 -6.285 1.929
36 1HB PRO 7 1HB PRO 7 -4.927 -6.191 -0.527
37 2HB PRO 7 2HB PRO 7 -5.373 -7.231 0.810
38 1HG PRO 7 2HG PRO 7 -6.668 -4.775 -0.162
39 2HG PRO 7 1HG PRO 7 -7.369 -6.136 0.702
40 1HD PRO 7 2HD PRO 7 -6.763 -3.626 1.819
41 2HD PRO 7 1HD PRO 7 -7.024 -5.099 2.771
42 H CYS 8 H CYS 8 -4.423 -3.092 0.634
43 HA CYS 8 HA CYS 8 -2.291 -3.081 -1.329
44 1HB CYS 8 2HB CYS 8 -4.147 -1.383 -1.383
45 2HB CYS 8 1HB CYS 8 -3.497 -0.704 0.093
46 H PHE 9 H PHE 9 -2.659 -2.032 1.990
47 HA PHE 9 HA PHE 9 -0.047 -0.880 2.314
48 1HB PHE 9 2HB PHE 9 -2.065 -0.479 3.837
49 2HB PHE 9 1HB PHE 9 -1.844 -2.098 4.463
50 HD1 PHE 9 HD1 PHE 9 -0.266 -2.488 6.235
51 HD2 PHE 9 HD2 PHE 9 -0.043 1.123 3.982
52 HE1 PHE 9 HE1 PHE 9 1.440 -1.623 7.774
53 HE2 PHE 9 HE2 PHE 9 1.661 1.979 5.531
54 HZ PHE 9 HZ PHE 9 2.408 0.621 7.408
55 H ALA 10 H ALA 10 -1.326 -4.093 2.517
56 HA ALA 10 HA ALA 10 0.784 -5.367 3.952
57 1HB ALA 10 1HB ALA 10 -0.145 -7.466 2.993
58 2HB ALA 10 2HB ALA 10 -1.118 -6.528 1.878
59 3HB ALA 10 3HB ALA 10 -1.416 -6.421 3.604
60 H THR 11 H THR 11 0.814 -4.063 0.802
61 HA THR 11 HA THR 11 2.911 -5.908 -0.191
62 HB THR 11 HB THR 11 2.789 -4.532 -2.300
63 HG1 THR 11 HG1 THR 11 1.225 -2.761 -2.138
64 1HG2 THR 11 1HG2 THR 11 -0.041 -4.838 -1.136
65 2HG2 THR 11 2HG2 THR 11 0.829 -6.156 -1.903
66 3HG2 THR 11 3HG2 THR 11 0.370 -4.743 -2.840
67 H ASN 12 H ASN 12 2.426 -2.747 1.154
68 HA ASN 12 HA ASN 12 5.351 -2.405 1.533
69 1HB ASN 12 2HB ASN 12 4.659 -1.082 -0.466
70 2HB ASN 12 1HB ASN 12 3.430 -0.283 0.505
71 1HD2 ASN 12 1HD2 ASN 12 4.247 1.825 0.876
72 2HD2 ASN 12 2HD2 ASN 12 5.812 2.165 1.442
73 HA PRO 13 HA PRO 13 2.979 -1.818 5.466
74 1HB PRO 13 2HB PRO 13 5.304 -3.028 6.739
75 2HB PRO 13 1HB PRO 13 3.637 -3.582 6.734
76 1HG PRO 13 2HG PRO 13 5.812 -4.723 5.312
77 2HG PRO 13 1HG PRO 13 4.116 -5.156 5.156
78 1HD PRO 13 2HD PRO 13 5.792 -3.658 3.278
79 2HD PRO 13 1HD PRO 13 4.155 -4.298 3.037
80 H ASP 14 H ASP 14 5.773 -0.791 3.979
81 HA ASP 14 HA ASP 14 6.598 1.064 6.142
82 1HB ASP 14 2HB ASP 14 8.318 -0.333 4.990
83 2HB ASP 14 1HB ASP 14 7.871 0.375 3.455
84 H CYS 15 H CYS 15 4.091 1.288 4.368
85 HA CYS 15 HA CYS 15 4.637 3.683 2.750
86 1HB CYS 15 1HB CYS 15 2.853 2.064 2.093
87 2HB CYS 15 2HB CYS 15 1.977 2.448 3.543
88 1HN NH2 16 1H CYS 15 3.461 3.018 6.009
89 2HN NH2 16 2H CYS 15 3.226 4.639 6.455
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