NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620316 |
5t6t   |
30167 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 1H SER 1 2.929 3.284 -6.207
2 H2 SER 1 2H SER 1 1.999 4.569 -5.807
3 H3 SER 1 3H SER 1 2.021 4.084 -7.379
4 HA SER 1 HA SER 1 -0.045 3.430 -6.321
5 HB2 SER 1 1HB SER 1 0.778 2.060 -8.177
6 HB3 SER 1 2HB SER 1 1.768 1.126 -7.043
7 HG SER 1 HG SER 1 -0.383 0.241 -7.640
8 H THR 2 H THR 2 -1.197 2.486 -4.587
9 HA THR 2 HA THR 2 0.553 1.273 -2.487
10 HB THR 2 HB THR 2 0.464 3.685 -1.942
11 HG1 THR 2 HG1 THR 2 -0.478 3.363 0.139
12 HG21 THR 2 1HG2 THR 2 -2.541 3.360 -1.599
13 HG22 THR 2 2HG2 THR 2 -1.808 4.167 -3.020
14 HG23 THR 2 3HG2 THR 2 -1.547 4.845 -1.374
15 H CYS 3 H CYS 3 -0.596 -0.089 -1.153
16 HA CYS 3 HA CYS 3 -3.396 -0.559 -1.796
17 HB2 CYS 3 1HB CYS 3 -1.313 -2.749 -1.852
18 HB3 CYS 3 2HB CYS 3 -2.993 -2.946 -2.289
19 H CYS 4 H CYS 4 -0.584 -1.112 0.370
20 HA CYS 4 HA CYS 4 -2.388 -2.216 2.458
21 HB2 CYS 4 1HB CYS 4 0.539 -2.682 1.836
22 HB3 CYS 4 2HB CYS 4 -0.200 -3.155 3.381
23 H GLY 5 H GLY 5 -2.703 -0.964 4.193
24 HA2 GLY 5 1HA GLY 5 -2.348 0.586 5.867
25 HA3 GLY 5 2HA GLY 5 -0.627 0.292 5.617
26 H TYR 6 H TYR 6 -2.511 1.387 2.964
27 HA TYR 6 HA TYR 6 -2.412 3.180 1.679
28 HB2 TYR 6 1HB TYR 6 -2.084 4.857 4.144
29 HB3 TYR 6 2HB TYR 6 -2.747 5.367 2.602
30 HD1 TYR 6 HD1 TYR 6 -3.499 3.753 5.770
31 HD2 TYR 6 HD2 TYR 6 -5.003 4.574 1.841
32 HE1 TYR 6 HE1 TYR 6 -5.819 3.109 6.511
33 HE2 TYR 6 HE2 TYR 6 -7.310 3.941 2.617
34 HH TYR 6 HH TYR 6 -8.537 3.040 4.241
35 H ARG 7 H ARG 7 0.457 2.267 3.026
36 HA ARG 7 HA ARG 7 1.836 4.611 1.735
37 HB2 ARG 7 1HB ARG 7 3.580 4.554 3.216
38 HB3 ARG 7 2HB ARG 7 2.125 4.416 4.194
39 HG2 ARG 7 1HG ARG 7 3.902 2.023 3.432
40 HG3 ARG 7 2HG ARG 7 4.194 3.009 4.883
41 HD2 ARG 7 1HD ARG 7 1.944 2.363 5.760
42 HD3 ARG 7 2HD ARG 7 1.722 1.314 4.338
43 HE ARG 7 HE ARG 7 4.206 0.600 5.482
44 HH11 ARG 7 1HH1 ARG 7 4.452 -1.165 6.680
45 HH12 ARG 7 2HH1 ARG 7 3.158 -1.813 7.608
46 HH21 ARG 7 1HH2 ARG 7 0.823 0.537 6.502
47 HH22 ARG 7 2HH2 ARG 7 1.032 -0.926 7.446
48 H MET 8 H MET 8 1.346 1.300 1.283
49 HA MET 8 HA MET 8 3.567 1.177 -0.580
50 HB2 MET 8 1HB MET 8 4.635 -0.761 0.425
51 HB3 MET 8 2HB MET 8 4.528 0.503 1.691
52 HG2 MET 8 1HG MET 8 2.482 -0.650 2.552
53 HG3 MET 8 2HG MET 8 2.687 -1.923 1.354
54 HE1 MET 8 1HE MET 8 2.423 -2.663 4.303
55 HE2 MET 8 2HE MET 8 3.832 -3.713 4.597
56 HE3 MET 8 3HE MET 8 2.912 -3.849 3.091
57 H CYS 9 H CYS 9 3.462 -1.101 -1.744
58 HA CYS 9 HA CYS 9 0.644 -2.149 -1.590
59 HB2 CYS 9 1HB CYS 9 0.917 -0.709 -3.615
60 HB3 CYS 9 2HB CYS 9 2.226 -1.757 -4.168
61 H VAL 10 H VAL 10 4.000 -2.857 -2.973
62 HA VAL 10 HA VAL 10 3.659 -5.555 -1.841
63 HB VAL 10 HB VAL 10 2.608 -5.632 -4.092
64 HG11 VAL 10 1HG1 VAL 10 4.023 -5.403 -6.132
65 HG12 VAL 10 2HG1 VAL 10 5.346 -4.738 -5.163
66 HG13 VAL 10 3HG1 VAL 10 3.794 -3.861 -5.289
67 HG21 VAL 10 1HG2 VAL 10 3.683 -7.592 -4.840
68 HG22 VAL 10 2HG2 VAL 10 3.860 -7.577 -3.098
69 HG23 VAL 10 3HG2 VAL 10 5.252 -7.122 -4.122
70 HA PRO 11 HA PRO 11 5.135 -7.466 -1.376
71 HB2 PRO 11 1HB PRO 11 6.809 -7.759 0.822
72 HB3 PRO 11 2HB PRO 11 7.232 -8.248 -0.860
73 HG2 PRO 11 1HG PRO 11 7.927 -5.677 0.570
74 HG3 PRO 11 2HG PRO 11 9.042 -6.760 -0.302
75 HD2 PRO 11 1HD PRO 11 8.013 -4.558 -1.428
76 HD3 PRO 11 2HD PRO 11 8.139 -6.063 -2.399
77 H CYS 12 H CYS 12 3.818 -7.962 0.378
78 HA CYS 12 HA CYS 12 3.394 -6.046 2.542
79 HB2 CYS 12 1HB CYS 12 1.828 -5.417 0.724
80 HB3 CYS 12 2HB CYS 12 1.197 -7.068 0.663
81 HN1 NH2 13 1H NH2 13 2.712 -8.814 4.572
82 HN2 NH2 13 2H NH2 13 3.112 -7.124 4.447
Start of MODEL 2
1 H1 SER 1 1H SER 1 1.650 4.715 -5.492
2 H2 SER 1 2H SER 1 1.330 4.639 -7.100
3 H3 SER 1 3H SER 1 2.245 3.471 -6.441
4 HA SER 1 HA SER 1 -0.579 3.931 -5.983
5 HB2 SER 1 1HB SER 1 0.077 2.706 -8.075
6 HB3 SER 1 2HB SER 1 0.808 1.431 -7.057
7 HG SER 1 HG SER 1 -1.440 1.137 -7.763
8 H THR 2 H THR 2 -1.584 2.832 -4.160
9 HA THR 2 HA THR 2 0.321 1.277 -2.467
10 HB THR 2 HB THR 2 -0.873 2.341 -0.431
11 HG1 THR 2 HG1 THR 2 -1.403 4.467 -2.225
12 HG21 THR 2 1HG2 THR 2 1.424 2.964 -1.014
13 HG22 THR 2 2HG2 THR 2 0.551 4.379 -0.449
14 HG23 THR 2 3HG2 THR 2 0.857 4.151 -2.177
15 H CYS 3 H CYS 3 -0.630 -0.326 -1.275
16 HA CYS 3 HA CYS 3 -3.473 -0.904 -1.463
17 HB2 CYS 3 1HB CYS 3 -3.281 -3.019 -2.553
18 HB3 CYS 3 2HB CYS 3 -2.493 -1.827 -3.551
19 H CYS 4 H CYS 4 -0.650 -0.956 0.244
20 HA CYS 4 HA CYS 4 -1.638 -3.030 2.219
21 HB2 CYS 4 1HB CYS 4 0.450 -3.747 0.931
22 HB3 CYS 4 2HB CYS 4 1.245 -2.297 1.530
23 H GLY 5 H GLY 5 -2.801 -1.132 2.922
24 HA2 GLY 5 1HA GLY 5 -2.962 0.606 4.547
25 HA3 GLY 5 2HA GLY 5 -1.145 0.547 4.689
26 H TYR 6 H TYR 6 -1.778 3.074 4.402
27 HA TYR 6 HA TYR 6 -2.190 3.773 1.587
28 HB2 TYR 6 1HB TYR 6 -1.922 5.503 4.074
29 HB3 TYR 6 2HB TYR 6 -2.349 6.055 2.443
30 HD1 TYR 6 HD1 TYR 6 -4.454 5.001 1.412
31 HD2 TYR 6 HD2 TYR 6 -3.558 4.850 5.603
32 HE1 TYR 6 HE1 TYR 6 -6.881 4.569 1.921
33 HE2 TYR 6 HE2 TYR 6 -5.984 4.360 6.095
34 HH TYR 6 HH TYR 6 -8.491 4.076 3.595
35 H ARG 7 H ARG 7 0.433 2.682 2.999
36 HA ARG 7 HA ARG 7 2.242 4.903 2.139
37 HB2 ARG 7 1HB ARG 7 3.724 4.560 3.859
38 HB3 ARG 7 2HB ARG 7 2.143 4.300 4.624
39 HG2 ARG 7 1HG ARG 7 3.638 1.873 3.626
40 HG3 ARG 7 2HG ARG 7 4.126 2.678 5.129
41 HD2 ARG 7 1HD ARG 7 1.846 2.406 5.982
42 HD3 ARG 7 2HD ARG 7 1.300 1.682 4.456
43 HE ARG 7 HE ARG 7 3.548 0.270 5.379
44 HH11 ARG 7 1HH1 ARG 7 3.300 -1.707 6.487
45 HH12 ARG 7 2HH1 ARG 7 1.766 -2.129 7.131
46 HH21 ARG 7 1HH2 ARG 7 0.237 0.866 6.273
47 HH22 ARG 7 2HH2 ARG 7 0.037 -0.657 7.115
48 H MET 8 H MET 8 1.561 1.518 1.604
49 HA MET 8 HA MET 8 3.651 1.492 -0.471
50 HB2 MET 8 1HB MET 8 4.826 -0.420 0.395
51 HB3 MET 8 2HB MET 8 4.901 0.914 1.554
52 HG2 MET 8 1HG MET 8 3.078 -0.166 2.919
53 HG3 MET 8 2HG MET 8 3.129 -1.541 1.830
54 HE1 MET 8 1HE MET 8 3.598 -2.344 4.749
55 HE2 MET 8 2HE MET 8 5.125 -3.294 4.672
56 HE3 MET 8 3HE MET 8 3.896 -3.402 3.360
57 H CYS 9 H CYS 9 3.647 -1.020 -1.296
58 HA CYS 9 HA CYS 9 0.843 -1.970 -1.242
59 HB2 CYS 9 1HB CYS 9 1.227 -0.505 -3.263
60 HB3 CYS 9 2HB CYS 9 2.445 -1.639 -3.809
61 H VAL 10 H VAL 10 2.071 -3.821 -3.541
62 HA VAL 10 HA VAL 10 2.509 -6.020 -1.865
63 HB VAL 10 HB VAL 10 3.324 -7.125 -3.913
64 HG11 VAL 10 1HG1 VAL 10 0.952 -6.993 -3.281
65 HG12 VAL 10 2HG1 VAL 10 1.183 -7.050 -5.052
66 HG13 VAL 10 3HG1 VAL 10 0.776 -5.500 -4.235
67 HG21 VAL 10 1HG2 VAL 10 2.864 -4.379 -5.178
68 HG22 VAL 10 2HG2 VAL 10 3.159 -5.887 -6.053
69 HG23 VAL 10 3HG2 VAL 10 4.431 -5.213 -5.001
70 HA PRO 11 HA PRO 11 4.080 -8.232 -2.130
71 HB2 PRO 11 1HB PRO 11 5.680 -9.303 -0.216
72 HB3 PRO 11 2HB PRO 11 6.242 -9.027 -1.832
73 HG2 PRO 11 1HG PRO 11 6.569 -7.258 0.574
74 HG3 PRO 11 2HG PRO 11 7.810 -7.899 -0.532
75 HD2 PRO 11 1HD PRO 11 6.699 -5.406 -0.728
76 HD3 PRO 11 2HD PRO 11 7.143 -6.336 -2.216
77 H CYS 12 H CYS 12 4.136 -5.885 0.375
78 HA CYS 12 HA CYS 12 3.068 -5.584 2.364
79 HB2 CYS 12 1HB CYS 12 1.183 -5.961 0.634
80 HB3 CYS 12 2HB CYS 12 0.957 -7.555 1.345
81 HN1 NH2 13 1H NH2 13 4.556 -8.566 3.968
82 HN2 NH2 13 2H NH2 13 5.141 -7.300 2.932
Start of MODEL 3
1 H1 SER 1 1H SER 1 1.434 2.374 -7.624
2 H2 SER 1 2H SER 1 1.960 3.564 -6.614
3 H3 SER 1 3H SER 1 1.104 3.947 -7.977
4 HA SER 1 HA SER 1 -0.295 4.179 -6.138
5 HB2 SER 1 1HB SER 1 -1.150 3.201 -8.272
6 HB3 SER 1 2HB SER 1 -0.935 1.577 -7.604
7 HG SER 1 HG SER 1 -3.010 2.138 -7.237
8 H THR 2 H THR 2 -1.235 3.282 -4.122
9 HA THR 2 HA THR 2 0.547 1.208 -2.924
10 HB THR 2 HB THR 2 -0.132 2.181 -0.765
11 HG1 THR 2 HG1 THR 2 -1.285 4.093 -0.814
12 HG21 THR 2 1HG2 THR 2 1.029 4.254 -2.691
13 HG22 THR 2 2HG2 THR 2 1.922 2.924 -1.903
14 HG23 THR 2 3HG2 THR 2 1.184 4.215 -0.936
15 H CYS 3 H CYS 3 -0.595 -0.234 -1.320
16 HA CYS 3 HA CYS 3 -3.399 -0.770 -2.207
17 HB2 CYS 3 1HB CYS 3 -1.178 -2.819 -1.920
18 HB3 CYS 3 2HB CYS 3 -2.877 -3.120 -2.430
19 H CYS 4 H CYS 4 -0.870 -1.099 0.316
20 HA CYS 4 HA CYS 4 -3.062 -1.481 2.259
21 HB2 CYS 4 1HB CYS 4 -2.142 -3.425 3.269
22 HB3 CYS 4 2HB CYS 4 -2.391 -3.726 1.554
23 H GLY 5 H GLY 5 -2.284 -1.125 4.520
24 HA2 GLY 5 1HA GLY 5 -1.085 0.080 6.074
25 HA3 GLY 5 2HA GLY 5 0.347 -0.282 5.100
26 H TYR 6 H TYR 6 -2.284 1.357 3.618
27 HA TYR 6 HA TYR 6 -2.501 3.291 2.560
28 HB2 TYR 6 1HB TYR 6 -2.524 5.266 3.763
29 HB3 TYR 6 2HB TYR 6 -2.960 3.977 4.885
30 HD1 TYR 6 HD1 TYR 6 -1.667 3.539 6.825
31 HD2 TYR 6 HD2 TYR 6 -0.270 6.376 3.904
32 HE1 TYR 6 HE1 TYR 6 0.068 4.353 8.404
33 HE2 TYR 6 HE2 TYR 6 1.445 7.165 5.533
34 HH TYR 6 HH TYR 6 1.678 5.876 8.800
35 H ARG 7 H ARG 7 0.866 2.702 3.280
36 HA ARG 7 HA ARG 7 1.580 4.513 1.028
37 HB2 ARG 7 1HB ARG 7 3.806 4.916 2.253
38 HB3 ARG 7 2HB ARG 7 2.368 5.714 2.852
39 HG2 ARG 7 1HG ARG 7 3.726 4.890 4.669
40 HG3 ARG 7 2HG ARG 7 2.098 4.207 4.677
41 HD2 ARG 7 1HD ARG 7 2.944 2.095 3.812
42 HD3 ARG 7 2HD ARG 7 4.536 2.794 3.609
43 HE ARG 7 HE ARG 7 4.154 3.231 6.227
44 HH11 ARG 7 1HH1 ARG 7 4.638 1.935 7.902
45 HH12 ARG 7 2HH1 ARG 7 4.493 0.178 7.809
46 HH21 ARG 7 1HH2 ARG 7 3.580 0.278 4.406
47 HH22 ARG 7 2HH2 ARG 7 3.900 -0.765 5.762
48 H MET 8 H MET 8 1.227 1.417 1.338
49 HA MET 8 HA MET 8 3.747 0.801 -0.153
50 HB2 MET 8 1HB MET 8 4.044 0.329 2.302
51 HB3 MET 8 2HB MET 8 2.719 -0.801 2.199
52 HG2 MET 8 1HG MET 8 4.904 -1.915 2.184
53 HG3 MET 8 2HG MET 8 4.030 -2.215 0.677
54 HE1 MET 8 1HE MET 8 7.169 -0.148 2.437
55 HE2 MET 8 2HE MET 8 6.226 1.230 1.828
56 HE3 MET 8 3HE MET 8 7.738 0.792 1.048
57 H CYS 9 H CYS 9 3.587 -1.069 -1.535
58 HA CYS 9 HA CYS 9 0.881 -2.305 -1.535
59 HB2 CYS 9 1HB CYS 9 0.947 -0.749 -3.485
60 HB3 CYS 9 2HB CYS 9 2.377 -1.600 -4.104
61 H VAL 10 H VAL 10 4.280 -2.577 -2.693
62 HA VAL 10 HA VAL 10 4.102 -5.485 -2.112
63 HB VAL 10 HB VAL 10 5.818 -5.638 -4.163
64 HG11 VAL 10 1HG1 VAL 10 3.790 -6.877 -4.125
65 HG12 VAL 10 2HG1 VAL 10 3.930 -6.131 -5.697
66 HG13 VAL 10 3HG1 VAL 10 2.795 -5.472 -4.503
67 HG21 VAL 10 1HG2 VAL 10 4.058 -3.275 -5.139
68 HG22 VAL 10 2HG2 VAL 10 5.370 -4.090 -6.012
69 HG23 VAL 10 3HG2 VAL 10 5.753 -3.123 -4.590
70 HA PRO 11 HA PRO 11 5.152 -7.103 -1.138
71 HB2 PRO 11 1HB PRO 11 6.199 -7.845 1.234
72 HB3 PRO 11 2HB PRO 11 7.187 -7.960 -0.253
73 HG2 PRO 11 1HG PRO 11 7.202 -5.717 1.765
74 HG3 PRO 11 2HG PRO 11 8.566 -6.683 1.101
75 HD2 PRO 11 1HD PRO 11 7.825 -4.255 0.138
76 HD3 PRO 11 2HD PRO 11 8.497 -5.544 -0.918
77 H CYS 12 H CYS 12 3.569 -7.803 0.711
78 HA CYS 12 HA CYS 12 2.718 -5.442 2.373
79 HB2 CYS 12 1HB CYS 12 1.304 -5.584 0.342
80 HB3 CYS 12 2HB CYS 12 0.885 -7.256 0.738
81 HN1 NH2 13 1H NH2 13 2.120 -7.787 4.958
82 HN2 NH2 13 2H NH2 13 2.401 -6.128 4.496
Start of MODEL 4
1 H1 SER 1 1H SER 1 2.169 5.163 -6.304
2 H2 SER 1 2H SER 1 2.852 4.067 -5.267
3 H3 SER 1 3H SER 1 1.896 5.309 -4.723
4 HA SER 1 HA SER 1 -0.097 4.310 -5.690
5 HB2 SER 1 1HB SER 1 1.848 2.125 -6.603
6 HB3 SER 1 2HB SER 1 0.123 2.265 -6.923
7 HG SER 1 HG SER 1 1.401 2.978 -8.699
8 H THR 2 H THR 2 -1.300 3.076 -4.124
9 HA THR 2 HA THR 2 0.365 1.355 -2.366
10 HB THR 2 HB THR 2 0.201 3.687 -1.392
11 HG1 THR 2 HG1 THR 2 -1.084 2.424 0.525
12 HG21 THR 2 1HG2 THR 2 -2.680 2.935 -0.972
13 HG22 THR 2 2HG2 THR 2 -2.085 4.164 -2.113
14 HG23 THR 2 3HG2 THR 2 -1.836 4.377 -0.366
15 H CYS 3 H CYS 3 -0.882 -0.184 -1.066
16 HA CYS 3 HA CYS 3 -3.733 -0.406 -1.478
17 HB2 CYS 3 1HB CYS 3 -3.796 -2.640 -2.479
18 HB3 CYS 3 2HB CYS 3 -2.941 -1.532 -3.565
19 H CYS 4 H CYS 4 -0.843 -1.415 0.151
20 HA CYS 4 HA CYS 4 -2.400 -3.193 1.947
21 HB2 CYS 4 1HB CYS 4 0.554 -3.073 1.235
22 HB3 CYS 4 2HB CYS 4 -0.053 -4.009 2.593
23 H GLY 5 H GLY 5 -2.417 -0.332 2.090
24 HA2 GLY 5 1HA GLY 5 -2.351 0.420 4.636
25 HA3 GLY 5 2HA GLY 5 -0.593 0.257 4.392
26 H TYR 6 H TYR 6 -0.869 2.683 4.992
27 HA TYR 6 HA TYR 6 -2.110 4.394 3.154
28 HB2 TYR 6 1HB TYR 6 -1.469 4.864 5.541
29 HB3 TYR 6 2HB TYR 6 0.169 5.108 4.981
30 HD1 TYR 6 HD1 TYR 6 0.824 7.202 4.062
31 HD2 TYR 6 HD2 TYR 6 -3.367 6.337 4.672
32 HE1 TYR 6 HE1 TYR 6 0.267 9.593 3.649
33 HE2 TYR 6 HE2 TYR 6 -3.883 8.723 4.264
34 HH TYR 6 HH TYR 6 -3.131 10.736 3.562
35 H ARG 7 H ARG 7 1.138 2.998 3.146
36 HA ARG 7 HA ARG 7 1.629 4.651 0.708
37 HB2 ARG 7 1HB ARG 7 3.693 5.422 1.333
38 HB3 ARG 7 2HB ARG 7 2.856 5.512 2.845
39 HG2 ARG 7 1HG ARG 7 4.857 3.336 1.963
40 HG3 ARG 7 2HG ARG 7 5.093 4.540 3.195
41 HD2 ARG 7 1HD ARG 7 3.179 2.210 3.404
42 HD3 ARG 7 2HD ARG 7 4.740 2.391 4.198
43 HE ARG 7 HE ARG 7 3.482 4.634 4.995
44 HH11 ARG 7 1HH1 ARG 7 2.194 4.976 6.838
45 HH12 ARG 7 2HH1 ARG 7 1.295 3.623 7.505
46 HH21 ARG 7 1HH2 ARG 7 2.519 1.298 5.132
47 HH22 ARG 7 2HH2 ARG 7 1.483 1.541 6.539
48 H MET 8 H MET 8 1.587 1.398 1.714
49 HA MET 8 HA MET 8 3.669 0.727 -0.314
50 HB2 MET 8 1HB MET 8 4.226 -1.256 0.982
51 HB3 MET 8 2HB MET 8 4.409 0.202 1.968
52 HG2 MET 8 1HG MET 8 2.320 -0.246 3.145
53 HG3 MET 8 2HG MET 8 1.962 -1.618 2.111
54 HE1 MET 8 1HE MET 8 5.347 -0.501 4.035
55 HE2 MET 8 2HE MET 8 5.214 -1.538 5.475
56 HE3 MET 8 3HE MET 8 4.018 -0.259 5.197
57 H CYS 9 H CYS 9 3.489 -1.158 -1.483
58 HA CYS 9 HA CYS 9 1.011 -2.678 -1.427
59 HB2 CYS 9 1HB CYS 9 0.510 -0.618 -2.781
60 HB3 CYS 9 2HB CYS 9 1.711 -1.134 -3.916
61 H VAL 10 H VAL 10 2.343 -4.446 -1.071
62 HA VAL 10 HA VAL 10 3.687 -6.175 -1.523
63 HB VAL 10 HB VAL 10 3.660 -5.544 -4.471
64 HG11 VAL 10 1HG1 VAL 10 3.793 -8.206 -2.966
65 HG12 VAL 10 2HG1 VAL 10 5.172 -7.380 -3.718
66 HG13 VAL 10 3HG1 VAL 10 3.863 -7.987 -4.743
67 HG21 VAL 10 1HG2 VAL 10 1.625 -7.111 -4.531
68 HG22 VAL 10 2HG2 VAL 10 1.338 -5.485 -3.859
69 HG23 VAL 10 3HG2 VAL 10 1.507 -6.866 -2.774
70 HA PRO 11 HA PRO 11 5.469 -7.109 -0.356
71 HB2 PRO 11 1HB PRO 11 7.030 -5.266 1.421
72 HB3 PRO 11 2HB PRO 11 7.260 -7.021 1.198
73 HG2 PRO 11 1HG PRO 11 8.966 -5.304 0.172
74 HG3 PRO 11 2HG PRO 11 8.426 -6.730 -0.768
75 HD2 PRO 11 1HD PRO 11 7.562 -3.839 -1.048
76 HD3 PRO 11 2HD PRO 11 7.914 -5.052 -2.308
77 H CYS 12 H CYS 12 4.250 -7.313 1.584
78 HA CYS 12 HA CYS 12 2.839 -4.775 2.433
79 HB2 CYS 12 1HB CYS 12 1.700 -7.555 1.973
80 HB3 CYS 12 2HB CYS 12 0.832 -6.175 2.675
81 HN1 NH2 13 1H NH2 13 3.280 -5.655 5.719
82 HN2 NH2 13 2H NH2 13 2.878 -4.447 4.571
Start of MODEL 5
1 H1 SER 1 1H SER 1 -1.397 4.479 -5.095
2 H2 SER 1 2H SER 1 -0.415 3.502 -5.978
3 H3 SER 1 3H SER 1 -0.466 5.146 -6.291
4 HA SER 1 HA SER 1 1.570 4.566 -5.180
5 HB2 SER 1 1HB SER 1 1.190 6.148 -3.231
6 HB3 SER 1 2HB SER 1 0.622 6.785 -4.802
7 HG SER 1 HG SER 1 -0.994 6.985 -3.168
8 H THR 2 H THR 2 -1.406 3.228 -3.595
9 HA THR 2 HA THR 2 0.315 1.510 -2.001
10 HB THR 2 HB THR 2 -0.121 3.435 -0.501
11 HG1 THR 2 HG1 THR 2 -1.640 1.800 0.872
12 HG21 THR 2 1HG2 THR 2 -2.372 4.049 -1.499
13 HG22 THR 2 2HG2 THR 2 -2.333 4.011 0.268
14 HG23 THR 2 3HG2 THR 2 -3.059 2.667 -0.639
15 H CYS 3 H CYS 3 -0.674 -0.418 -1.244
16 HA CYS 3 HA CYS 3 -3.578 -0.759 -1.832
17 HB2 CYS 3 1HB CYS 3 -3.369 -2.891 -2.897
18 HB3 CYS 3 2HB CYS 3 -2.353 -1.756 -3.796
19 H CYS 4 H CYS 4 -0.867 -0.939 0.142
20 HA CYS 4 HA CYS 4 -2.257 -2.680 2.126
21 HB2 CYS 4 1HB CYS 4 0.668 -2.652 1.312
22 HB3 CYS 4 2HB CYS 4 0.123 -3.270 2.876
23 H GLY 5 H GLY 5 -2.890 -1.066 3.623
24 HA2 GLY 5 1HA GLY 5 -2.540 0.618 5.222
25 HA3 GLY 5 2HA GLY 5 -0.830 0.552 4.829
26 H TYR 6 H TYR 6 -0.703 2.897 4.686
27 HA TYR 6 HA TYR 6 -2.302 4.022 2.380
28 HB2 TYR 6 1HB TYR 6 -1.106 5.581 4.655
29 HB3 TYR 6 2HB TYR 6 -2.354 6.063 3.492
30 HD1 TYR 6 HD1 TYR 6 -4.562 4.640 3.490
31 HD2 TYR 6 HD2 TYR 6 -1.868 4.827 6.805
32 HE1 TYR 6 HE1 TYR 6 -6.371 3.858 4.978
33 HE2 TYR 6 HE2 TYR 6 -3.695 4.075 8.328
34 HH TYR 6 HH TYR 6 -6.986 3.325 7.096
35 H ARG 7 H ARG 7 0.468 2.700 2.454
36 HA ARG 7 HA ARG 7 1.777 4.688 0.783
37 HB2 ARG 7 1HB ARG 7 3.551 5.384 2.058
38 HB3 ARG 7 2HB ARG 7 2.230 5.271 3.226
39 HG2 ARG 7 1HG ARG 7 4.520 3.302 2.837
40 HG3 ARG 7 2HG ARG 7 4.371 4.450 4.169
41 HD2 ARG 7 1HD ARG 7 2.225 3.375 4.859
42 HD3 ARG 7 2HD ARG 7 2.481 2.139 3.636
43 HE ARG 7 HE ARG 7 4.785 2.338 5.341
44 HH11 ARG 7 1HH1 ARG 7 5.211 0.688 6.845
45 HH12 ARG 7 2HH1 ARG 7 3.928 -0.372 7.354
46 HH21 ARG 7 1HH2 ARG 7 1.467 1.042 5.361
47 HH22 ARG 7 2HH2 ARG 7 1.873 -0.207 6.512
48 H MET 8 H MET 8 1.274 1.409 1.344
49 HA MET 8 HA MET 8 3.818 0.723 -0.095
50 HB2 MET 8 1HB MET 8 3.910 0.334 2.439
51 HB3 MET 8 2HB MET 8 2.615 -0.853 2.203
52 HG2 MET 8 1HG MET 8 4.076 -2.225 0.745
53 HG3 MET 8 2HG MET 8 5.372 -1.038 0.945
54 HE1 MET 8 1HE MET 8 6.967 -0.798 3.118
55 HE2 MET 8 2HE MET 8 6.503 -1.414 4.721
56 HE3 MET 8 3HE MET 8 5.545 -0.123 3.974
57 H CYS 9 H CYS 9 3.761 -1.167 -1.484
58 HA CYS 9 HA CYS 9 1.335 -2.742 -1.448
59 HB2 CYS 9 1HB CYS 9 0.777 -0.806 -2.888
60 HB3 CYS 9 2HB CYS 9 2.122 -1.224 -3.960
61 H VAL 10 H VAL 10 1.810 -4.756 -2.046
62 HA VAL 10 HA VAL 10 3.248 -6.534 -1.999
63 HB VAL 10 HB VAL 10 3.286 -5.705 -4.919
64 HG11 VAL 10 1HG1 VAL 10 3.338 -8.541 -3.659
65 HG12 VAL 10 2HG1 VAL 10 4.775 -7.714 -4.349
66 HG13 VAL 10 3HG1 VAL 10 3.418 -8.142 -5.424
67 HG21 VAL 10 1HG2 VAL 10 1.025 -5.575 -4.023
68 HG22 VAL 10 2HG2 VAL 10 1.197 -7.194 -3.300
69 HG23 VAL 10 3HG2 VAL 10 1.219 -7.004 -5.071
70 HA PRO 11 HA PRO 11 4.579 -7.819 -0.757
71 HB2 PRO 11 1HB PRO 11 6.598 -7.946 1.013
72 HB3 PRO 11 2HB PRO 11 6.798 -8.648 -0.633
73 HG2 PRO 11 1HG PRO 11 7.621 -5.943 0.373
74 HG3 PRO 11 2HG PRO 11 8.645 -7.195 -0.473
75 HD2 PRO 11 1HD PRO 11 7.461 -5.022 -1.711
76 HD3 PRO 11 2HD PRO 11 7.658 -6.652 -2.533
77 H CYS 12 H CYS 12 3.665 -7.766 1.393
78 HA CYS 12 HA CYS 12 4.154 -5.651 3.266
79 HB2 CYS 12 1HB CYS 12 1.683 -4.839 3.086
80 HB3 CYS 12 2HB CYS 12 2.850 -4.163 1.958
81 HN1 NH2 13 1H NH2 13 1.805 -7.624 5.284
82 HN2 NH2 13 2H NH2 13 2.471 -6.066 5.170
Start of MODEL 6
1 H1 SER 1 1H SER 1 1.100 5.329 -4.730
2 H2 SER 1 2H SER 1 -0.011 6.403 -4.202
3 H3 SER 1 3H SER 1 0.415 6.465 -5.755
4 HA SER 1 HA SER 1 -1.631 5.362 -5.764
5 HB2 SER 1 1HB SER 1 0.609 3.314 -5.907
6 HB3 SER 1 2HB SER 1 -0.995 3.103 -6.605
7 HG SER 1 HG SER 1 0.310 3.921 -8.202
8 H THR 2 H THR 2 -3.246 4.517 -4.489
9 HA THR 2 HA THR 2 -2.511 3.842 -1.751
10 HB THR 2 HB THR 2 -5.194 3.453 -3.115
11 HG1 THR 2 HG1 THR 2 -5.161 5.583 -3.156
12 HG21 THR 2 1HG2 THR 2 -6.036 3.873 -0.790
13 HG22 THR 2 2HG2 THR 2 -4.360 3.810 -0.218
14 HG23 THR 2 3HG2 THR 2 -5.124 2.377 -0.922
15 H CYS 3 H CYS 3 -2.103 1.818 -0.882
16 HA CYS 3 HA CYS 3 -3.099 -0.649 -2.155
17 HB2 CYS 3 1HB CYS 3 -0.944 0.130 -3.401
18 HB3 CYS 3 2HB CYS 3 -0.104 -0.179 -1.902
19 H CYS 4 H CYS 4 -1.673 -2.425 -0.790
20 HA CYS 4 HA CYS 4 -2.505 -2.247 1.881
21 HB2 CYS 4 1HB CYS 4 -1.807 -4.325 0.813
22 HB3 CYS 4 2HB CYS 4 -0.111 -3.784 0.785
23 H GLY 5 H GLY 5 -1.662 -1.649 3.879
24 HA2 GLY 5 1HA GLY 5 -0.385 -0.367 5.301
25 HA3 GLY 5 2HA GLY 5 0.996 -0.777 4.261
26 H TYR 6 H TYR 6 -1.946 0.818 3.331
27 HA TYR 6 HA TYR 6 -2.535 2.746 2.405
28 HB2 TYR 6 1HB TYR 6 -0.228 3.929 3.936
29 HB3 TYR 6 2HB TYR 6 -1.533 4.834 3.146
30 HD1 TYR 6 HD1 TYR 6 -0.550 2.801 6.116
31 HD2 TYR 6 HD2 TYR 6 -3.816 4.700 4.146
32 HE1 TYR 6 HE1 TYR 6 -1.940 2.468 8.090
33 HE2 TYR 6 HE2 TYR 6 -5.165 4.524 6.255
34 HH TYR 6 HH TYR 6 -3.912 2.855 9.151
35 H ARG 7 H ARG 7 1.036 2.655 2.191
36 HA ARG 7 HA ARG 7 0.790 3.149 -0.732
37 HB2 ARG 7 1HB ARG 7 2.518 4.834 -0.763
38 HB3 ARG 7 2HB ARG 7 1.224 5.379 0.324
39 HG2 ARG 7 1HG ARG 7 3.600 4.002 1.564
40 HG3 ARG 7 2HG ARG 7 3.785 5.682 1.040
41 HD2 ARG 7 1HD ARG 7 2.531 6.433 2.805
42 HD3 ARG 7 2HD ARG 7 1.337 5.157 2.553
43 HE ARG 7 HE ARG 7 3.794 4.061 3.611
44 HH11 ARG 7 1HH1 ARG 7 3.919 3.361 5.704
45 HH12 ARG 7 2HH1 ARG 7 2.771 3.900 6.903
46 HH21 ARG 7 1HH2 ARG 7 0.969 5.961 4.723
47 HH22 ARG 7 2HH2 ARG 7 1.182 5.445 6.391
48 H MET 8 H MET 8 2.371 1.321 1.802
49 HA MET 8 HA MET 8 4.833 1.058 0.323
50 HB2 MET 8 1HB MET 8 5.425 -0.655 1.878
51 HB3 MET 8 2HB MET 8 4.782 0.733 2.736
52 HG2 MET 8 1HG MET 8 2.615 -0.428 2.913
53 HG3 MET 8 2HG MET 8 3.333 -1.866 2.179
54 HE1 MET 8 1HE MET 8 4.291 0.845 5.067
55 HE2 MET 8 2HE MET 8 4.239 -0.209 6.513
56 HE3 MET 8 3HE MET 8 2.779 0.178 5.574
57 H CYS 9 H CYS 9 1.784 -0.748 0.379
58 HA CYS 9 HA CYS 9 0.962 -2.276 -1.046
59 HB2 CYS 9 1HB CYS 9 2.055 -0.528 -2.676
60 HB3 CYS 9 2HB CYS 9 3.135 -1.897 -3.026
61 H VAL 10 H VAL 10 4.534 -2.953 -1.445
62 HA VAL 10 HA VAL 10 3.913 -5.693 -0.611
63 HB VAL 10 HB VAL 10 3.538 -5.767 -2.996
64 HG11 VAL 10 1HG1 VAL 10 6.477 -4.895 -3.416
65 HG12 VAL 10 2HG1 VAL 10 5.037 -3.827 -3.632
66 HG13 VAL 10 3HG1 VAL 10 5.190 -5.216 -4.683
67 HG21 VAL 10 1HG2 VAL 10 5.194 -7.542 -3.585
68 HG22 VAL 10 2HG2 VAL 10 4.529 -7.780 -1.981
69 HG23 VAL 10 3HG2 VAL 10 6.158 -7.108 -2.195
70 HA PRO 11 HA PRO 11 4.874 -7.492 0.390
71 HB2 PRO 11 1HB PRO 11 5.788 -8.036 2.914
72 HB3 PRO 11 2HB PRO 11 6.685 -8.466 1.411
73 HG2 PRO 11 1HG PRO 11 6.953 -6.064 3.193
74 HG3 PRO 11 2HG PRO 11 8.224 -7.205 2.694
75 HD2 PRO 11 1HD PRO 11 7.876 -4.885 1.266
76 HD3 PRO 11 2HD PRO 11 8.226 -6.439 0.394
77 H CYS 12 H CYS 12 3.086 -7.849 1.706
78 HA CYS 12 HA CYS 12 1.964 -5.490 3.068
79 HB2 CYS 12 1HB CYS 12 0.789 -6.225 1.060
80 HB3 CYS 12 2HB CYS 12 0.730 -7.823 1.700
81 HN1 NH2 13 1H NH2 13 1.951 -6.989 6.189
82 HN2 NH2 13 2H NH2 13 2.079 -5.571 5.249
Start of MODEL 7
1 H1 SER 1 1H SER 1 -0.046 4.134 -7.666
2 H2 SER 1 2H SER 1 0.724 2.826 -7.035
3 H3 SER 1 3H SER 1 0.840 4.291 -6.277
4 HA SER 1 HA SER 1 -1.336 4.296 -5.570
5 HB2 SER 1 1HB SER 1 -1.684 1.804 -7.279
6 HB3 SER 1 2HB SER 1 -2.956 2.574 -6.297
7 HG SER 1 HG SER 1 -3.151 3.394 -8.338
8 H THR 2 H THR 2 -1.786 3.491 -3.566
9 HA THR 2 HA THR 2 0.159 1.586 -2.531
10 HB THR 2 HB THR 2 -1.070 2.012 -0.339
11 HG1 THR 2 HG1 THR 2 -3.034 2.753 -0.676
12 HG21 THR 2 1HG2 THR 2 -0.098 4.413 -1.995
13 HG22 THR 2 2HG2 THR 2 0.904 3.350 -1.010
14 HG23 THR 2 3HG2 THR 2 -0.301 4.423 -0.235
15 H CYS 3 H CYS 3 -0.385 -0.253 -1.251
16 HA CYS 3 HA CYS 3 -2.991 -1.454 -1.947
17 HB2 CYS 3 1HB CYS 3 -0.415 -2.989 -2.174
18 HB3 CYS 3 2HB CYS 3 -2.023 -3.494 -2.683
19 H CYS 4 H CYS 4 -0.478 -1.002 0.369
20 HA CYS 4 HA CYS 4 -2.005 -2.693 2.246
21 HB2 CYS 4 1HB CYS 4 -0.063 -4.032 1.572
22 HB3 CYS 4 2HB CYS 4 1.013 -2.670 1.912
23 H GLY 5 H GLY 5 -2.774 -1.244 3.672
24 HA2 GLY 5 1HA GLY 5 -2.805 0.532 5.122
25 HA3 GLY 5 2HA GLY 5 -1.012 0.717 4.949
26 H TYR 6 H TYR 6 -1.167 2.933 4.622
27 HA TYR 6 HA TYR 6 -2.097 3.572 1.882
28 HB2 TYR 6 1HB TYR 6 -2.747 4.877 4.433
29 HB3 TYR 6 2HB TYR 6 -2.106 5.994 3.235
30 HD1 TYR 6 HD1 TYR 6 -3.270 6.508 1.194
31 HD2 TYR 6 HD2 TYR 6 -4.884 3.614 3.970
32 HE1 TYR 6 HE1 TYR 6 -5.494 6.480 -0.035
33 HE2 TYR 6 HE2 TYR 6 -7.040 3.589 2.740
34 HH TYR 6 HH TYR 6 -7.560 5.628 -0.187
35 H ARG 7 H ARG 7 0.511 2.633 3.014
36 HA ARG 7 HA ARG 7 2.161 4.845 1.871
37 HB2 ARG 7 1HB ARG 7 3.900 4.409 3.629
38 HB3 ARG 7 2HB ARG 7 2.413 5.151 4.184
39 HG2 ARG 7 1HG ARG 7 2.986 3.623 5.847
40 HG3 ARG 7 2HG ARG 7 1.668 2.836 5.005
41 HD2 ARG 7 1HD ARG 7 3.139 1.289 3.940
42 HD3 ARG 7 2HD ARG 7 4.598 2.214 4.406
43 HE ARG 7 HE ARG 7 4.497 1.457 6.616
44 HH11 ARG 7 1HH1 ARG 7 3.862 0.012 8.194
45 HH12 ARG 7 2HH1 ARG 7 2.534 -1.092 7.949
46 HH21 ARG 7 1HH2 ARG 7 1.750 0.055 4.799
47 HH22 ARG 7 2HH2 ARG 7 1.374 -1.045 6.089
48 H MET 8 H MET 8 1.417 1.598 1.376
49 HA MET 8 HA MET 8 3.832 1.363 -0.203
50 HB2 MET 8 1HB MET 8 4.782 -0.597 0.795
51 HB3 MET 8 2HB MET 8 4.571 0.636 2.062
52 HG2 MET 8 1HG MET 8 2.429 -0.515 2.648
53 HG3 MET 8 2HG MET 8 2.912 -1.845 1.605
54 HE1 MET 8 1HE MET 8 6.111 -3.213 3.479
55 HE2 MET 8 2HE MET 8 5.814 -2.411 1.932
56 HE3 MET 8 3HE MET 8 4.773 -3.761 2.445
57 H CYS 9 H CYS 9 3.929 -0.518 -1.561
58 HA CYS 9 HA CYS 9 1.495 -2.148 -1.805
59 HB2 CYS 9 1HB CYS 9 1.074 -0.248 -3.286
60 HB3 CYS 9 2HB CYS 9 2.583 -0.582 -4.142
61 H VAL 10 H VAL 10 2.599 -4.002 -1.347
62 HA VAL 10 HA VAL 10 4.914 -4.623 -3.068
63 HB VAL 10 HB VAL 10 4.507 -5.485 -0.173
64 HG11 VAL 10 1HG1 VAL 10 5.661 -7.279 -1.497
65 HG12 VAL 10 2HG1 VAL 10 6.844 -6.469 -0.456
66 HG13 VAL 10 3HG1 VAL 10 6.766 -6.092 -2.169
67 HG21 VAL 10 1HG2 VAL 10 6.454 -3.527 -1.489
68 HG22 VAL 10 2HG2 VAL 10 6.630 -4.153 0.186
69 HG23 VAL 10 3HG2 VAL 10 5.214 -3.151 -0.272
70 HA PRO 11 HA PRO 11 1.686 -5.312 -0.702
71 HB2 PRO 11 1HB PRO 11 -0.058 -7.249 -0.097
72 HB3 PRO 11 2HB PRO 11 -0.183 -6.360 -1.636
73 HG2 PRO 11 1HG PRO 11 1.155 -8.992 -0.999
74 HG3 PRO 11 2HG PRO 11 -0.073 -8.623 -2.280
75 HD2 PRO 11 1HD PRO 11 2.681 -8.737 -2.743
76 HD3 PRO 11 2HD PRO 11 1.567 -7.672 -3.672
77 H CYS 12 H CYS 12 1.219 -6.013 1.658
78 HA CYS 12 HA CYS 12 3.508 -7.075 2.942
79 HB2 CYS 12 1HB CYS 12 0.692 -6.587 3.968
80 HB3 CYS 12 2HB CYS 12 2.144 -6.789 4.974
81 HN1 NH2 13 1H NH2 13 2.648 -10.406 3.984
82 HN2 NH2 13 2H NH2 13 3.581 -8.976 4.403
Start of MODEL 8
1 H1 SER 1 1H SER 1 -1.685 6.397 -5.661
2 H2 SER 1 2H SER 1 -0.245 5.935 -4.984
3 H3 SER 1 3H SER 1 -1.644 5.597 -4.173
4 HA SER 1 HA SER 1 -2.335 4.115 -5.958
5 HB2 SER 1 1HB SER 1 -0.829 5.300 -7.731
6 HB3 SER 1 2HB SER 1 0.557 4.527 -6.936
7 HG SER 1 HG SER 1 0.031 3.046 -8.411
8 H THR 2 H THR 2 -2.250 3.264 -3.618
9 HA THR 2 HA THR 2 0.061 1.376 -3.371
10 HB THR 2 HB THR 2 -0.238 1.669 -0.863
11 HG1 THR 2 HG1 THR 2 -1.499 3.192 -0.121
12 HG21 THR 2 1HG2 THR 2 0.637 4.167 -2.359
13 HG22 THR 2 2HG2 THR 2 1.640 2.720 -2.125
14 HG23 THR 2 3HG2 THR 2 1.084 3.697 -0.732
15 H CYS 3 H CYS 3 -0.582 -0.400 -1.772
16 HA CYS 3 HA CYS 3 -3.488 -1.038 -1.927
17 HB2 CYS 3 1HB CYS 3 -3.215 -3.023 -3.130
18 HB3 CYS 3 2HB CYS 3 -2.359 -1.800 -4.079
19 H CYS 4 H CYS 4 -0.948 -0.818 0.044
20 HA CYS 4 HA CYS 4 -1.957 -2.888 1.875
21 HB2 CYS 4 1HB CYS 4 -0.035 -3.953 0.630
22 HB3 CYS 4 2HB CYS 4 1.052 -2.685 1.204
23 H GLY 5 H GLY 5 -2.784 -0.572 2.169
24 HA2 GLY 5 1HA GLY 5 -2.922 0.986 3.876
25 HA3 GLY 5 2HA GLY 5 -1.277 0.648 4.349
26 H TYR 6 H TYR 6 -1.984 3.232 4.268
27 HA TYR 6 HA TYR 6 -1.809 4.597 1.831
28 HB2 TYR 6 1HB TYR 6 -2.501 5.650 3.998
29 HB3 TYR 6 2HB TYR 6 -0.829 5.472 4.591
30 HD1 TYR 6 HD1 TYR 6 0.910 7.031 3.828
31 HD2 TYR 6 HD2 TYR 6 -3.142 7.325 2.274
32 HE1 TYR 6 HE1 TYR 6 1.492 9.181 2.740
33 HE2 TYR 6 HE2 TYR 6 -2.534 9.533 1.256
34 HH TYR 6 HH TYR 6 0.689 10.973 1.543
35 H ARG 7 H ARG 7 0.800 3.037 3.686
36 HA ARG 7 HA ARG 7 2.759 4.686 2.177
37 HB2 ARG 7 1HB ARG 7 4.289 4.361 3.852
38 HB3 ARG 7 2HB ARG 7 2.759 4.540 4.670
39 HG2 ARG 7 1HG ARG 7 4.291 1.949 4.289
40 HG3 ARG 7 2HG ARG 7 4.140 2.834 5.787
41 HD2 ARG 7 1HD ARG 7 1.829 1.471 4.354
42 HD3 ARG 7 2HD ARG 7 2.677 0.815 5.743
43 HE ARG 7 HE ARG 7 1.553 3.447 6.206
44 HH11 ARG 7 1HH1 ARG 7 -0.043 3.685 7.764
45 HH12 ARG 7 2HH1 ARG 7 -0.873 2.272 8.327
46 HH21 ARG 7 1HH2 ARG 7 0.844 -0.023 6.382
47 HH22 ARG 7 2HH2 ARG 7 -0.393 0.195 7.587
48 H MET 8 H MET 8 1.477 1.584 1.757
49 HA MET 8 HA MET 8 3.961 0.682 0.399
50 HB2 MET 8 1HB MET 8 2.989 -0.265 2.972
51 HB3 MET 8 2HB MET 8 3.064 -1.592 1.810
52 HG2 MET 8 1HG MET 8 5.295 -1.689 1.846
53 HG3 MET 8 2HG MET 8 5.474 0.071 1.694
54 HE1 MET 8 1HE MET 8 5.011 -2.947 4.087
55 HE2 MET 8 2HE MET 8 3.611 -2.035 4.708
56 HE3 MET 8 3HE MET 8 5.086 -2.205 5.716
57 H CYS 9 H CYS 9 3.634 -1.482 -0.794
58 HA CYS 9 HA CYS 9 0.803 -2.204 -1.232
59 HB2 CYS 9 1HB CYS 9 1.325 -0.508 -3.012
60 HB3 CYS 9 2HB CYS 9 2.685 -1.511 -3.518
61 H VAL 10 H VAL 10 0.701 -4.493 -2.016
62 HA VAL 10 HA VAL 10 2.694 -6.067 -0.710
63 HB VAL 10 HB VAL 10 0.274 -6.647 -1.016
64 HG11 VAL 10 1HG1 VAL 10 1.090 -7.221 -3.887
65 HG12 VAL 10 2HG1 VAL 10 -0.080 -5.994 -3.284
66 HG13 VAL 10 3HG1 VAL 10 -0.483 -7.709 -3.079
67 HG21 VAL 10 1HG2 VAL 10 1.942 -8.375 -0.366
68 HG22 VAL 10 2HG2 VAL 10 2.150 -8.812 -2.101
69 HG23 VAL 10 3HG2 VAL 10 0.569 -9.050 -1.256
70 HA PRO 11 HA PRO 11 4.122 -8.168 -0.724
71 HB2 PRO 11 1HB PRO 11 7.028 -7.583 -1.345
72 HB3 PRO 11 2HB PRO 11 6.272 -9.152 -1.056
73 HG2 PRO 11 1HG PRO 11 7.002 -8.511 -3.474
74 HG3 PRO 11 2HG PRO 11 5.358 -9.262 -3.267
75 HD2 PRO 11 1HD PRO 11 6.171 -6.291 -3.455
76 HD3 PRO 11 2HD PRO 11 4.953 -7.193 -4.443
77 H CYS 12 H CYS 12 3.879 -7.373 1.145
78 HA CYS 12 HA CYS 12 5.512 -5.002 2.023
79 HB2 CYS 12 1HB CYS 12 3.464 -4.053 2.999
80 HB3 CYS 12 2HB CYS 12 3.346 -4.107 1.247
81 HN1 NH2 13 1H NH2 13 5.047 -8.180 4.327
82 HN2 NH2 13 2H NH2 13 5.135 -8.194 2.609
Start of MODEL 9
1 H1 SER 1 1H SER 1 -1.015 4.510 -7.384
2 H2 SER 1 2H SER 1 -0.182 4.500 -5.945
3 H3 SER 1 3H SER 1 -1.809 4.300 -5.944
4 HA SER 1 HA SER 1 -1.669 2.134 -6.894
5 HB2 SER 1 1HB SER 1 1.257 2.759 -7.377
6 HB3 SER 1 2HB SER 1 0.423 1.230 -7.733
7 HG SER 1 HG SER 1 0.435 2.538 -9.617
8 H THR 2 H THR 2 -1.879 2.925 -4.272
9 HA THR 2 HA THR 2 0.163 1.287 -2.782
10 HB THR 2 HB THR 2 -1.767 3.166 -1.367
11 HG1 THR 2 HG1 THR 2 -0.379 4.938 -1.838
12 HG21 THR 2 1HG2 THR 2 -0.181 1.972 -0.064
13 HG22 THR 2 2HG2 THR 2 0.378 3.663 -0.134
14 HG23 THR 2 3HG2 THR 2 1.159 2.462 -1.156
15 H CYS 3 H CYS 3 -0.737 -0.312 -1.469
16 HA CYS 3 HA CYS 3 -3.647 -0.696 -1.610
17 HB2 CYS 3 1HB CYS 3 -3.375 -3.059 -2.291
18 HB3 CYS 3 2HB CYS 3 -2.806 -1.965 -3.537
19 H CYS 4 H CYS 4 -0.798 -0.850 0.263
20 HA CYS 4 HA CYS 4 -2.133 -2.548 2.317
21 HB2 CYS 4 1HB CYS 4 0.831 -2.195 1.691
22 HB3 CYS 4 2HB CYS 4 0.160 -3.143 3.014
23 H GLY 5 H GLY 5 -3.151 -0.636 3.163
24 HA2 GLY 5 1HA GLY 5 -3.269 1.209 4.478
25 HA3 GLY 5 2HA GLY 5 -1.490 1.121 4.781
26 H TYR 6 H TYR 6 -1.600 3.547 4.376
27 HA TYR 6 HA TYR 6 -1.744 4.115 1.462
28 HB2 TYR 6 1HB TYR 6 -1.785 6.029 3.851
29 HB3 TYR 6 2HB TYR 6 -1.917 6.519 2.134
30 HD1 TYR 6 HD1 TYR 6 -4.033 6.864 4.595
31 HD2 TYR 6 HD2 TYR 6 -3.771 4.170 1.155
32 HE1 TYR 6 HE1 TYR 6 -6.530 6.671 4.566
33 HE2 TYR 6 HE2 TYR 6 -6.291 3.962 1.147
34 HH TYR 6 HH TYR 6 -8.385 5.654 3.512
35 H ARG 7 H ARG 7 0.463 2.635 2.824
36 HA ARG 7 HA ARG 7 2.537 4.558 1.896
37 HB2 ARG 7 1HB ARG 7 3.931 3.309 3.943
38 HB3 ARG 7 2HB ARG 7 3.251 4.960 3.998
39 HG2 ARG 7 1HG ARG 7 2.551 3.855 6.041
40 HG3 ARG 7 2HG ARG 7 1.108 3.952 5.023
41 HD2 ARG 7 1HD ARG 7 1.244 1.563 4.406
42 HD3 ARG 7 2HD ARG 7 2.904 1.475 5.022
43 HE ARG 7 HE ARG 7 1.659 2.129 7.265
44 HH11 ARG 7 1HH1 ARG 7 0.760 0.708 8.781
45 HH12 ARG 7 2HH1 ARG 7 0.117 -0.804 8.221
46 HH21 ARG 7 1HH2 ARG 7 0.785 -0.330 4.917
47 HH22 ARG 7 2HH2 ARG 7 0.157 -1.392 6.155
48 H MET 8 H MET 8 1.437 1.337 1.596
49 HA MET 8 HA MET 8 4.079 0.606 0.317
50 HB2 MET 8 1HB MET 8 4.128 0.097 2.815
51 HB3 MET 8 2HB MET 8 2.834 -1.087 2.501
52 HG2 MET 8 1HG MET 8 4.325 -2.365 0.984
53 HG3 MET 8 2HG MET 8 5.593 -1.184 1.242
54 HE1 MET 8 1HE MET 8 3.316 -3.213 4.032
55 HE2 MET 8 2HE MET 8 4.522 -4.526 4.229
56 HE3 MET 8 3HE MET 8 3.768 -4.246 2.644
57 H CYS 9 H CYS 9 3.819 -1.583 -0.867
58 HA CYS 9 HA CYS 9 1.138 -2.593 -1.200
59 HB2 CYS 9 1HB CYS 9 1.096 -0.450 -2.548
60 HB3 CYS 9 2HB CYS 9 2.335 -1.138 -3.611
61 H VAL 10 H VAL 10 4.424 -2.371 -2.645
62 HA VAL 10 HA VAL 10 4.211 -5.309 -3.058
63 HB VAL 10 HB VAL 10 5.731 -3.335 -4.831
64 HG11 VAL 10 1HG1 VAL 10 5.748 -5.520 -6.359
65 HG12 VAL 10 2HG1 VAL 10 5.292 -6.423 -4.896
66 HG13 VAL 10 3HG1 VAL 10 6.831 -5.551 -4.965
67 HG21 VAL 10 1HG2 VAL 10 3.004 -4.676 -5.138
68 HG22 VAL 10 2HG2 VAL 10 3.928 -4.086 -6.518
69 HG23 VAL 10 3HG2 VAL 10 3.402 -2.955 -5.270
70 HA PRO 11 HA PRO 11 4.895 -7.055 -2.288
71 HB2 PRO 11 1HB PRO 11 6.237 -8.705 -0.582
72 HB3 PRO 11 2HB PRO 11 6.923 -8.347 -2.229
73 HG2 PRO 11 1HG PRO 11 7.636 -7.081 0.450
74 HG3 PRO 11 2HG PRO 11 8.705 -7.747 -0.814
75 HD2 PRO 11 1HD PRO 11 8.090 -5.052 -0.595
76 HD3 PRO 11 2HD PRO 11 8.509 -5.865 -2.084
77 H CYS 12 H CYS 12 3.513 -8.084 -0.537
78 HA CYS 12 HA CYS 12 3.699 -6.844 2.164
79 HB2 CYS 12 1HB CYS 12 1.070 -7.207 0.625
80 HB3 CYS 12 2HB CYS 12 1.205 -6.668 2.302
81 HN1 NH2 13 1H NH2 13 2.470 -10.024 3.357
82 HN2 NH2 13 2H NH2 13 2.734 -8.371 3.768
Start of MODEL 10
1 H1 SER 1 1H SER 1 3.476 2.745 -5.672
2 H2 SER 1 2H SER 1 2.395 3.986 -5.679
3 H3 SER 1 3H SER 1 2.761 3.141 -7.086
4 HA SER 1 HA SER 1 0.587 2.460 -6.312
5 HB2 SER 1 1HB SER 1 2.078 0.877 -7.540
6 HB3 SER 1 2HB SER 1 2.761 0.379 -5.981
7 HG SER 1 HG SER 1 1.158 -1.079 -6.461
8 H THR 2 H THR 2 -0.743 2.249 -4.462
9 HA THR 2 HA THR 2 0.518 1.155 -2.073
10 HB THR 2 HB THR 2 0.621 3.661 -1.655
11 HG1 THR 2 HG1 THR 2 -0.614 3.574 0.265
12 HG21 THR 2 1HG2 THR 2 -1.321 4.994 -1.550
13 HG22 THR 2 2HG2 THR 2 -2.405 3.581 -1.670
14 HG23 THR 2 3HG2 THR 2 -1.458 4.102 -3.086
15 H CYS 3 H CYS 3 -0.871 -0.004 -0.815
16 HA CYS 3 HA CYS 3 -3.709 -0.126 -1.484
17 HB2 CYS 3 1HB CYS 3 -3.832 -2.300 -2.491
18 HB3 CYS 3 2HB CYS 3 -2.721 -1.305 -3.443
19 H CYS 4 H CYS 4 -0.913 -1.640 0.175
20 HA CYS 4 HA CYS 4 -2.830 -3.190 1.834
21 HB2 CYS 4 1HB CYS 4 -0.982 -4.329 2.714
22 HB3 CYS 4 2HB CYS 4 -0.792 -4.346 0.972
23 H GLY 5 H GLY 5 -1.160 -0.198 1.991
24 HA2 GLY 5 1HA GLY 5 -2.057 0.217 4.701
25 HA3 GLY 5 2HA GLY 5 -0.363 -0.267 4.666
26 H TYR 6 H TYR 6 -2.479 2.066 2.922
27 HA TYR 6 HA TYR 6 -2.297 4.291 2.552
28 HB2 TYR 6 1HB TYR 6 -2.292 4.481 4.989
29 HB3 TYR 6 2HB TYR 6 -0.537 4.330 5.029
30 HD1 TYR 6 HD1 TYR 6 0.819 6.295 4.995
31 HD2 TYR 6 HD2 TYR 6 -3.235 6.578 3.629
32 HE1 TYR 6 HE1 TYR 6 1.031 8.755 4.829
33 HE2 TYR 6 HE2 TYR 6 -3.049 9.013 3.487
34 HH TYR 6 HH TYR 6 -1.802 10.832 3.808
35 H ARG 7 H ARG 7 1.076 3.160 3.227
36 HA ARG 7 HA ARG 7 1.915 4.919 0.939
37 HB2 ARG 7 1HB ARG 7 3.815 5.563 1.988
38 HB3 ARG 7 2HB ARG 7 2.576 5.655 3.257
39 HG2 ARG 7 1HG ARG 7 4.646 3.414 2.980
40 HG3 ARG 7 2HG ARG 7 4.780 4.761 4.137
41 HD2 ARG 7 1HD ARG 7 2.709 3.921 5.215
42 HD3 ARG 7 2HD ARG 7 2.613 2.629 4.033
43 HE ARG 7 HE ARG 7 5.125 2.635 5.444
44 HH11 ARG 7 1HH1 ARG 7 5.601 0.965 6.971
45 HH12 ARG 7 2HH1 ARG 7 4.261 -0.054 7.477
46 HH21 ARG 7 1HH2 ARG 7 1.777 1.484 5.623
47 HH22 ARG 7 2HH2 ARG 7 2.166 0.206 6.761
48 H MET 8 H MET 8 1.382 1.782 1.508
49 HA MET 8 HA MET 8 3.636 0.917 -0.244
50 HB2 MET 8 1HB MET 8 2.995 -0.218 2.487
51 HB3 MET 8 2HB MET 8 3.857 -1.146 1.249
52 HG2 MET 8 1HG MET 8 5.553 0.604 1.088
53 HG3 MET 8 2HG MET 8 4.827 1.418 2.464
54 HE1 MET 8 1HE MET 8 7.835 -0.093 4.152
55 HE2 MET 8 2HE MET 8 6.817 1.334 3.871
56 HE3 MET 8 3HE MET 8 7.733 0.628 2.522
57 H CYS 9 H CYS 9 3.334 -1.114 -1.301
58 HA CYS 9 HA CYS 9 0.692 -2.438 -1.121
59 HB2 CYS 9 1HB CYS 9 0.641 -0.700 -2.964
60 HB3 CYS 9 2HB CYS 9 1.891 -1.625 -3.777
61 H VAL 10 H VAL 10 1.189 -4.494 -2.840
62 HA VAL 10 HA VAL 10 3.226 -5.929 -1.557
63 HB VAL 10 HB VAL 10 1.512 -7.101 -2.722
64 HG11 VAL 10 1HG1 VAL 10 0.942 -5.468 -4.509
65 HG12 VAL 10 2HG1 VAL 10 1.185 -7.083 -5.202
66 HG13 VAL 10 3HG1 VAL 10 2.453 -5.834 -5.361
67 HG21 VAL 10 1HG2 VAL 10 4.059 -7.651 -4.288
68 HG22 VAL 10 2HG2 VAL 10 2.702 -8.746 -4.005
69 HG23 VAL 10 3HG2 VAL 10 3.710 -8.242 -2.646
70 HA PRO 11 HA PRO 11 5.250 -7.298 -1.409
71 HB2 PRO 11 1HB PRO 11 7.659 -6.599 -0.338
72 HB3 PRO 11 2HB PRO 11 7.519 -7.536 -1.863
73 HG2 PRO 11 1HG PRO 11 7.951 -4.592 -1.538
74 HG3 PRO 11 2HG PRO 11 8.808 -5.771 -2.609
75 HD2 PRO 11 1HD PRO 11 6.874 -4.162 -3.505
76 HD3 PRO 11 2HD PRO 11 7.056 -5.849 -4.097
77 H CYS 12 H CYS 12 4.338 -7.220 0.673
78 HA CYS 12 HA CYS 12 4.362 -4.540 2.036
79 HB2 CYS 12 1HB CYS 12 2.163 -5.543 1.113
80 HB3 CYS 12 2HB CYS 12 2.302 -6.714 2.435
81 HN1 NH2 13 1H NH2 13 5.377 -5.774 5.141
82 HN2 NH2 13 2H NH2 13 4.778 -4.408 4.238
Start of MODEL 11
1 H1 SER 1 1H SER 1 1.599 4.851 -5.407
2 H2 SER 1 2H SER 1 2.549 4.284 -6.696
3 H3 SER 1 3H SER 1 3.051 4.017 -5.140
4 HA SER 1 HA SER 1 0.514 2.958 -6.254
5 HB2 SER 1 1HB SER 1 2.655 2.105 -7.439
6 HB3 SER 1 2HB SER 1 3.151 1.464 -5.839
7 HG SER 1 HG SER 1 2.046 -0.168 -6.949
8 H THR 2 H THR 2 -0.839 2.295 -4.548
9 HA THR 2 HA THR 2 0.469 1.241 -2.150
10 HB THR 2 HB THR 2 0.234 3.543 -1.405
11 HG1 THR 2 HG1 THR 2 -1.559 3.304 0.150
12 HG21 THR 2 1HG2 THR 2 -1.915 4.775 -1.466
13 HG22 THR 2 2HG2 THR 2 -2.680 3.431 -2.317
14 HG23 THR 2 3HG2 THR 2 -1.408 4.374 -3.117
15 H CYS 3 H CYS 3 -0.846 -0.232 -1.110
16 HA CYS 3 HA CYS 3 -3.652 -0.453 -1.911
17 HB2 CYS 3 1HB CYS 3 -3.416 -2.806 -2.643
18 HB3 CYS 3 2HB CYS 3 -2.514 -1.703 -3.699
19 H CYS 4 H CYS 4 -1.106 -0.716 0.301
20 HA CYS 4 HA CYS 4 -2.898 -1.741 2.411
21 HB2 CYS 4 1HB CYS 4 -1.169 -3.415 3.112
22 HB3 CYS 4 2HB CYS 4 -1.874 -3.802 1.528
23 H GLY 5 H GLY 5 -2.104 -1.186 4.573
24 HA2 GLY 5 1HA GLY 5 -1.015 0.159 6.097
25 HA3 GLY 5 2HA GLY 5 0.421 -0.061 5.115
26 H TYR 6 H TYR 6 -2.344 1.458 3.575
27 HA TYR 6 HA TYR 6 -2.816 3.445 2.724
28 HB2 TYR 6 1HB TYR 6 -2.626 4.162 5.209
29 HB3 TYR 6 2HB TYR 6 -1.105 4.926 4.716
30 HD1 TYR 6 HD1 TYR 6 -4.699 4.806 3.702
31 HD2 TYR 6 HD2 TYR 6 -1.163 7.166 3.974
32 HE1 TYR 6 HE1 TYR 6 -5.951 6.797 2.837
33 HE2 TYR 6 HE2 TYR 6 -2.372 9.165 3.129
34 HH TYR 6 HH TYR 6 -5.862 9.080 2.347
35 H ARG 7 H ARG 7 0.536 2.668 2.957
36 HA ARG 7 HA ARG 7 0.990 4.352 0.586
37 HB2 ARG 7 1HB ARG 7 3.192 5.228 1.743
38 HB3 ARG 7 2HB ARG 7 1.645 5.970 2.214
39 HG2 ARG 7 1HG ARG 7 3.002 5.554 4.192
40 HG3 ARG 7 2HG ARG 7 1.597 4.484 4.234
41 HD2 ARG 7 1HD ARG 7 2.933 2.622 3.527
42 HD3 ARG 7 2HD ARG 7 4.393 3.629 3.430
43 HE ARG 7 HE ARG 7 3.777 4.112 5.942
44 HH11 ARG 7 1HH1 ARG 7 4.005 2.935 7.837
45 HH12 ARG 7 2HH1 ARG 7 4.026 1.200 7.779
46 HH21 ARG 7 1HH2 ARG 7 3.620 0.948 4.336
47 HH22 ARG 7 2HH2 ARG 7 3.821 0.084 5.847
48 H MET 8 H MET 8 1.038 1.369 1.189
49 HA MET 8 HA MET 8 3.778 0.755 0.156
50 HB2 MET 8 1HB MET 8 3.479 0.287 2.635
51 HB3 MET 8 2HB MET 8 2.239 -0.887 2.207
52 HG2 MET 8 1HG MET 8 4.254 -2.062 2.672
53 HG3 MET 8 2HG MET 8 3.899 -2.221 0.950
54 HE1 MET 8 1HE MET 8 7.298 0.350 2.713
55 HE2 MET 8 2HE MET 8 6.010 -0.449 3.639
56 HE3 MET 8 3HE MET 8 5.652 1.030 2.671
57 H CYS 9 H CYS 9 3.855 -1.124 -1.175
58 HA CYS 9 HA CYS 9 1.534 -2.801 -1.442
59 HB2 CYS 9 1HB CYS 9 1.109 -0.630 -2.863
60 HB3 CYS 9 2HB CYS 9 2.240 -1.355 -3.972
61 H VAL 10 H VAL 10 1.845 -4.637 -2.609
62 HA VAL 10 HA VAL 10 3.115 -6.492 -2.923
63 HB VAL 10 HB VAL 10 3.870 -6.482 -5.408
64 HG11 VAL 10 1HG1 VAL 10 1.678 -7.287 -4.672
65 HG12 VAL 10 2HG1 VAL 10 1.533 -6.371 -6.173
66 HG13 VAL 10 3HG1 VAL 10 1.049 -5.606 -4.620
67 HG21 VAL 10 1HG2 VAL 10 2.480 -3.720 -5.317
68 HG22 VAL 10 2HG2 VAL 10 3.193 -4.500 -6.740
69 HG23 VAL 10 3HG2 VAL 10 4.259 -3.919 -5.454
70 HA PRO 11 HA PRO 11 3.931 -7.437 -1.238
71 HB2 PRO 11 1HB PRO 11 5.716 -8.100 0.637
72 HB3 PRO 11 2HB PRO 11 5.917 -8.755 -1.045
73 HG2 PRO 11 1HG PRO 11 7.226 -6.334 0.217
74 HG3 PRO 11 2HG PRO 11 7.987 -7.716 -0.636
75 HD2 PRO 11 1HD PRO 11 7.366 -5.305 -1.868
76 HD3 PRO 11 2HD PRO 11 7.455 -6.865 -2.752
77 H CYS 12 H CYS 12 3.425 -7.293 1.057
78 HA CYS 12 HA CYS 12 3.604 -4.506 2.052
79 HB2 CYS 12 1HB CYS 12 1.576 -6.657 2.697
80 HB3 CYS 12 2HB CYS 12 1.575 -5.024 3.312
81 HN1 NH2 13 1H NH2 13 4.563 -5.679 5.389
82 HN2 NH2 13 2H NH2 13 3.601 -4.481 4.633
Start of MODEL 12
1 H1 SER 1 1H SER 1 1.692 5.618 -4.822
2 H2 SER 1 2H SER 1 0.374 6.194 -3.981
3 H3 SER 1 3H SER 1 0.467 6.437 -5.642
4 HA SER 1 HA SER 1 -1.082 4.668 -5.268
5 HB2 SER 1 1HB SER 1 1.591 3.640 -6.248
6 HB3 SER 1 2HB SER 1 0.007 2.848 -6.486
7 HG SER 1 HG SER 1 0.479 4.167 -8.278
8 H THR 2 H THR 2 -1.814 2.956 -3.880
9 HA THR 2 HA THR 2 0.214 1.566 -2.283
10 HB THR 2 HB THR 2 -0.029 3.661 -0.993
11 HG1 THR 2 HG1 THR 2 -1.523 1.917 0.576
12 HG21 THR 2 1HG2 THR 2 -2.375 4.190 -1.703
13 HG22 THR 2 2HG2 THR 2 -2.035 4.338 0.053
14 HG23 THR 2 3HG2 THR 2 -2.962 2.929 -0.569
15 H CYS 3 H CYS 3 -0.641 -0.444 -1.637
16 HA CYS 3 HA CYS 3 -3.597 -0.893 -1.982
17 HB2 CYS 3 1HB CYS 3 -3.293 -2.881 -3.171
18 HB3 CYS 3 2HB CYS 3 -2.103 -1.749 -3.864
19 H CYS 4 H CYS 4 -0.949 -0.805 0.001
20 HA CYS 4 HA CYS 4 -2.125 -2.635 1.984
21 HB2 CYS 4 1HB CYS 4 -0.156 -3.722 0.856
22 HB3 CYS 4 2HB CYS 4 0.861 -2.309 1.339
23 H GLY 5 H GLY 5 -2.970 -1.027 3.329
24 HA2 GLY 5 1HA GLY 5 -2.758 0.725 4.939
25 HA3 GLY 5 2HA GLY 5 -0.993 0.669 4.708
26 H TYR 6 H TYR 6 -1.008 2.996 4.734
27 HA TYR 6 HA TYR 6 -2.207 4.278 2.346
28 HB2 TYR 6 1HB TYR 6 -2.453 5.157 4.792
29 HB3 TYR 6 2HB TYR 6 -0.765 5.694 4.628
30 HD1 TYR 6 HD1 TYR 6 -0.356 7.808 3.588
31 HD2 TYR 6 HD2 TYR 6 -4.239 6.058 3.185
32 HE1 TYR 6 HE1 TYR 6 -1.161 9.930 2.644
33 HE2 TYR 6 HE2 TYR 6 -5.038 8.162 2.171
34 HH TYR 6 HH TYR 6 -3.013 11.099 1.877
35 H ARG 7 H ARG 7 0.671 2.697 3.004
36 HA ARG 7 HA ARG 7 2.146 4.697 1.298
37 HB2 ARG 7 1HB ARG 7 4.019 4.690 2.619
38 HB3 ARG 7 2HB ARG 7 2.698 4.749 3.782
39 HG2 ARG 7 1HG ARG 7 4.344 2.271 3.092
40 HG3 ARG 7 2HG ARG 7 4.663 3.293 4.498
41 HD2 ARG 7 1HD ARG 7 2.438 2.789 5.415
42 HD3 ARG 7 2HD ARG 7 2.003 1.825 3.998
43 HE ARG 7 HE ARG 7 4.425 0.888 5.214
44 HH11 ARG 7 1HH1 ARG 7 4.553 -1.046 6.242
45 HH12 ARG 7 2HH1 ARG 7 3.054 -1.872 6.723
46 HH21 ARG 7 1HH2 ARG 7 0.939 0.665 5.441
47 HH22 ARG 7 2HH2 ARG 7 0.998 -0.894 6.295
48 H MET 8 H MET 8 1.376 1.329 1.416
49 HA MET 8 HA MET 8 3.705 0.904 -0.411
50 HB2 MET 8 1HB MET 8 3.386 0.058 2.335
51 HB3 MET 8 2HB MET 8 3.563 -1.338 1.282
52 HG2 MET 8 1HG MET 8 5.689 -0.590 0.516
53 HG3 MET 8 2HG MET 8 5.481 0.996 1.297
54 HE1 MET 8 1HE MET 8 4.824 -2.779 2.638
55 HE2 MET 8 2HE MET 8 6.445 -2.974 3.322
56 HE3 MET 8 3HE MET 8 6.240 -2.668 1.567
57 H CYS 9 H CYS 9 3.726 -1.586 -1.098
58 HA CYS 9 HA CYS 9 1.071 -2.746 -1.281
59 HB2 CYS 9 1HB CYS 9 1.257 -1.090 -3.318
60 HB3 CYS 9 2HB CYS 9 2.568 -2.134 -3.843
61 H VAL 10 H VAL 10 1.693 -4.879 -2.856
62 HA VAL 10 HA VAL 10 3.310 -6.338 -1.091
63 HB VAL 10 HB VAL 10 2.551 -6.930 -3.978
64 HG11 VAL 10 1HG1 VAL 10 4.203 -8.645 -2.995
65 HG12 VAL 10 2HG1 VAL 10 2.616 -9.346 -3.363
66 HG13 VAL 10 3HG1 VAL 10 3.034 -8.951 -1.685
67 HG21 VAL 10 1HG2 VAL 10 1.032 -7.124 -1.317
68 HG22 VAL 10 2HG2 VAL 10 0.606 -8.166 -2.696
69 HG23 VAL 10 3HG2 VAL 10 0.488 -6.418 -2.873
70 HA PRO 11 HA PRO 11 5.155 -8.066 -0.772
71 HB2 PRO 11 1HB PRO 11 7.527 -7.620 0.458
72 HB3 PRO 11 2HB PRO 11 7.394 -8.532 -1.109
73 HG2 PRO 11 1HG PRO 11 8.180 -5.679 -0.658
74 HG3 PRO 11 2HG PRO 11 8.984 -6.952 -1.657
75 HD2 PRO 11 1HD PRO 11 7.260 -5.075 -2.694
76 HD3 PRO 11 2HD PRO 11 7.376 -6.732 -3.314
77 H CYS 12 H CYS 12 4.108 -7.818 1.105
78 HA CYS 12 HA CYS 12 4.727 -5.502 2.867
79 HB2 CYS 12 1HB CYS 12 2.841 -4.928 1.169
80 HB3 CYS 12 2HB CYS 12 1.838 -6.050 2.072
81 HN1 NH2 13 1H NH2 13 3.494 -7.385 5.586
82 HN2 NH2 13 2H NH2 13 4.082 -5.849 5.062
Start of MODEL 13
1 H1 SER 1 1H SER 1 3.157 3.940 -5.268
2 H2 SER 1 2H SER 1 3.011 3.243 -6.834
3 H3 SER 1 3H SER 1 3.307 2.258 -5.446
4 HA SER 1 HA SER 1 0.865 3.871 -5.668
5 HB2 SER 1 1HB SER 1 -0.346 2.018 -6.546
6 HB3 SER 1 2HB SER 1 1.047 2.234 -7.607
7 HG SER 1 HG SER 1 0.640 0.024 -6.949
8 H THR 2 H THR 2 -0.863 2.703 -4.187
9 HA THR 2 HA THR 2 0.470 1.124 -2.098
10 HB THR 2 HB THR 2 0.584 3.428 -1.218
11 HG1 THR 2 HG1 THR 2 -1.510 2.279 0.241
12 HG21 THR 2 1HG2 THR 2 -1.316 4.766 -0.747
13 HG22 THR 2 2HG2 THR 2 -2.483 3.485 -1.211
14 HG23 THR 2 3HG2 THR 2 -1.497 4.279 -2.451
15 H CYS 3 H CYS 3 -0.753 -0.232 -1.031
16 HA CYS 3 HA CYS 3 -3.624 -0.470 -1.474
17 HB2 CYS 3 1HB CYS 3 -3.641 -2.567 -2.662
18 HB3 CYS 3 2HB CYS 3 -2.585 -1.487 -3.634
19 H CYS 4 H CYS 4 -0.748 -1.034 0.255
20 HA CYS 4 HA CYS 4 -2.139 -2.906 2.160
21 HB2 CYS 4 1HB CYS 4 -0.174 -4.058 1.083
22 HB3 CYS 4 2HB CYS 4 0.874 -2.706 1.524
23 H GLY 5 H GLY 5 -2.981 -1.309 3.370
24 HA2 GLY 5 1HA GLY 5 -2.974 0.471 4.873
25 HA3 GLY 5 2HA GLY 5 -1.203 0.462 4.860
26 H TYR 6 H TYR 6 -1.390 2.880 4.587
27 HA TYR 6 HA TYR 6 -2.129 3.684 1.848
28 HB2 TYR 6 1HB TYR 6 -2.082 5.322 4.386
29 HB3 TYR 6 2HB TYR 6 -2.575 5.875 2.789
30 HD1 TYR 6 HD1 TYR 6 -3.821 4.550 5.850
31 HD2 TYR 6 HD2 TYR 6 -4.461 4.303 1.633
32 HE1 TYR 6 HE1 TYR 6 -6.100 3.729 6.259
33 HE2 TYR 6 HE2 TYR 6 -6.763 3.460 2.001
34 HH TYR 6 HH TYR 6 -8.107 3.052 5.386
35 H ARG 7 H ARG 7 0.421 2.587 2.726
36 HA ARG 7 HA ARG 7 2.200 4.861 1.910
37 HB2 ARG 7 1HB ARG 7 3.955 3.268 3.299
38 HB3 ARG 7 2HB ARG 7 3.228 4.717 3.931
39 HG2 ARG 7 1HG ARG 7 2.948 3.183 5.663
40 HG3 ARG 7 2HG ARG 7 1.380 3.218 4.853
41 HD2 ARG 7 1HD ARG 7 2.078 1.164 3.584
42 HD3 ARG 7 2HD ARG 7 3.491 1.054 4.684
43 HE ARG 7 HE ARG 7 0.953 1.328 6.029
44 HH11 ARG 7 1HH1 ARG 7 0.065 -0.515 7.100
45 HH12 ARG 7 2HH1 ARG 7 0.677 -2.066 6.778
46 HH21 ARG 7 1HH2 ARG 7 3.072 -1.046 4.481
47 HH22 ARG 7 2HH2 ARG 7 2.363 -2.381 5.327
48 H MET 8 H MET 8 1.504 1.399 1.550
49 HA MET 8 HA MET 8 3.378 1.372 -0.742
50 HB2 MET 8 1HB MET 8 4.782 -0.367 -0.001
51 HB3 MET 8 2HB MET 8 4.767 0.800 1.322
52 HG2 MET 8 1HG MET 8 3.150 -0.648 2.559
53 HG3 MET 8 2HG MET 8 3.249 -1.840 1.253
54 HE1 MET 8 1HE MET 8 6.907 -0.831 3.978
55 HE2 MET 8 2HE MET 8 5.266 -0.279 4.361
56 HE3 MET 8 3HE MET 8 6.121 0.414 2.977
57 H CYS 9 H CYS 9 3.443 -0.989 -1.663
58 HA CYS 9 HA CYS 9 0.771 -2.269 -1.329
59 HB2 CYS 9 1HB CYS 9 1.069 -0.874 -3.448
60 HB3 CYS 9 2HB CYS 9 2.216 -2.075 -3.946
61 H VAL 10 H VAL 10 1.025 -4.476 -2.705
62 HA VAL 10 HA VAL 10 2.735 -6.182 -1.234
63 HB VAL 10 HB VAL 10 1.349 -6.687 -3.920
64 HG11 VAL 10 1HG1 VAL 10 1.432 -9.107 -3.288
65 HG12 VAL 10 2HG1 VAL 10 2.465 -8.675 -1.888
66 HG13 VAL 10 3HG1 VAL 10 3.009 -8.393 -3.563
67 HG21 VAL 10 1HG2 VAL 10 0.341 -7.129 -1.050
68 HG22 VAL 10 2HG2 VAL 10 -0.463 -7.769 -2.506
69 HG23 VAL 10 3HG2 VAL 10 -0.348 -6.029 -2.280
70 HA PRO 11 HA PRO 11 4.377 -7.885 -1.163
71 HB2 PRO 11 1HB PRO 11 7.064 -8.105 -0.672
72 HB3 PRO 11 2HB PRO 11 6.307 -8.870 -2.105
73 HG2 PRO 11 1HG PRO 11 7.783 -6.244 -1.880
74 HG3 PRO 11 2HG PRO 11 7.947 -7.524 -3.125
75 HD2 PRO 11 1HD PRO 11 6.439 -5.240 -3.500
76 HD3 PRO 11 2HD PRO 11 6.027 -6.778 -4.282
77 H CYS 12 H CYS 12 3.714 -7.272 0.775
78 HA CYS 12 HA CYS 12 4.673 -4.681 1.827
79 HB2 CYS 12 1HB CYS 12 2.279 -5.277 1.436
80 HB3 CYS 12 2HB CYS 12 2.352 -6.497 2.715
81 HN1 NH2 13 1H NH2 13 6.386 -5.698 4.642
82 HN2 NH2 13 2H NH2 13 5.940 -4.429 3.537
Start of MODEL 14
1 H1 SER 1 1H SER 1 0.941 5.373 -5.311
2 H2 SER 1 2H SER 1 -0.333 6.477 -5.069
3 H3 SER 1 3H SER 1 0.212 6.107 -6.588
4 HA SER 1 HA SER 1 -1.846 4.995 -6.212
5 HB2 SER 1 1HB SER 1 0.496 3.044 -6.074
6 HB3 SER 1 2HB SER 1 -1.131 2.722 -6.730
7 HG SER 1 HG SER 1 0.376 3.252 -8.434
8 H THR 2 H THR 2 -3.283 4.168 -4.705
9 HA THR 2 HA THR 2 -2.260 3.899 -1.934
10 HB THR 2 HB THR 2 -5.052 3.251 -3.038
11 HG1 THR 2 HG1 THR 2 -4.590 5.708 -1.876
12 HG21 THR 2 1HG2 THR 2 -4.054 4.166 -0.305
13 HG22 THR 2 2HG2 THR 2 -4.704 2.561 -0.725
14 HG23 THR 2 3HG2 THR 2 -5.766 3.996 -0.774
15 H CYS 3 H CYS 3 -1.888 2.028 -0.846
16 HA CYS 3 HA CYS 3 -2.880 -0.512 -1.897
17 HB2 CYS 3 1HB CYS 3 -0.602 0.067 -2.941
18 HB3 CYS 3 2HB CYS 3 0.086 -0.266 -1.338
19 H CYS 4 H CYS 4 -0.689 -1.802 -0.129
20 HA CYS 4 HA CYS 4 -2.385 -2.047 2.156
21 HB2 CYS 4 1HB CYS 4 0.503 -2.823 1.903
22 HB3 CYS 4 2HB CYS 4 -0.640 -3.521 3.062
23 H GLY 5 H GLY 5 -2.292 -1.136 4.189
24 HA2 GLY 5 1HA GLY 5 -1.850 0.580 5.735
25 HA3 GLY 5 2HA GLY 5 -0.140 0.295 5.299
26 H TYR 6 H TYR 6 -2.521 1.148 2.807
27 HA TYR 6 HA TYR 6 -2.813 2.875 1.410
28 HB2 TYR 6 1HB TYR 6 -2.117 4.673 3.686
29 HB3 TYR 6 2HB TYR 6 -3.153 5.057 2.237
30 HD1 TYR 6 HD1 TYR 6 -3.069 3.668 5.661
31 HD2 TYR 6 HD2 TYR 6 -5.323 3.713 1.955
32 HE1 TYR 6 HE1 TYR 6 -5.087 2.815 6.833
33 HE2 TYR 6 HE2 TYR 6 -7.359 2.987 3.185
34 HH TYR 6 HH TYR 6 -7.357 2.239 6.613
35 H ARG 7 H ARG 7 0.074 1.861 2.109
36 HA ARG 7 HA ARG 7 1.360 3.957 0.414
37 HB2 ARG 7 1HB ARG 7 2.226 2.995 3.152
38 HB3 ARG 7 2HB ARG 7 3.402 3.577 1.964
39 HG2 ARG 7 1HG ARG 7 2.894 5.722 2.341
40 HG3 ARG 7 2HG ARG 7 1.168 5.449 2.216
41 HD2 ARG 7 1HD ARG 7 1.669 6.388 4.442
42 HD3 ARG 7 2HD ARG 7 1.016 4.738 4.515
43 HE ARG 7 HE ARG 7 3.900 5.429 4.853
44 HH11 ARG 7 1HH1 ARG 7 5.110 4.099 6.243
45 HH12 ARG 7 2HH1 ARG 7 4.326 2.682 6.970
46 HH21 ARG 7 1HH2 ARG 7 1.176 3.227 5.514
47 HH22 ARG 7 2HH2 ARG 7 2.152 2.192 6.547
48 H MET 8 H MET 8 2.285 0.942 2.156
49 HA MET 8 HA MET 8 4.284 0.320 0.022
50 HB2 MET 8 1HB MET 8 4.638 -0.104 2.507
51 HB3 MET 8 2HB MET 8 3.369 -1.348 2.389
52 HG2 MET 8 1HG MET 8 4.751 -2.648 0.875
53 HG3 MET 8 2HG MET 8 5.958 -1.350 0.819
54 HE1 MET 8 1HE MET 8 4.142 -2.521 4.149
55 HE2 MET 8 2HE MET 8 5.163 -3.923 4.472
56 HE3 MET 8 3HE MET 8 4.189 -3.851 2.999
57 H CYS 9 H CYS 9 4.161 -1.391 -1.430
58 HA CYS 9 HA CYS 9 1.574 -2.848 -1.425
59 HB2 CYS 9 1HB CYS 9 2.118 -0.869 -3.129
60 HB3 CYS 9 2HB CYS 9 2.907 -2.187 -4.016
61 H VAL 10 H VAL 10 5.020 -3.082 -1.489
62 HA VAL 10 HA VAL 10 4.717 -6.032 -2.030
63 HB VAL 10 HB VAL 10 6.977 -4.208 -3.035
64 HG11 VAL 10 1HG1 VAL 10 8.000 -6.276 -2.486
65 HG12 VAL 10 2HG1 VAL 10 7.685 -6.407 -4.221
66 HG13 VAL 10 3HG1 VAL 10 6.621 -7.222 -3.087
67 HG21 VAL 10 1HG2 VAL 10 6.156 -5.031 -5.293
68 HG22 VAL 10 2HG2 VAL 10 5.071 -3.909 -4.442
69 HG23 VAL 10 3HG2 VAL 10 4.711 -5.661 -4.470
70 HA PRO 11 HA PRO 11 5.092 -7.924 -1.106
71 HB2 PRO 11 1HB PRO 11 5.681 -9.626 0.887
72 HB3 PRO 11 2HB PRO 11 6.992 -9.094 -0.282
73 HG2 PRO 11 1HG PRO 11 6.401 -8.139 2.531
74 HG3 PRO 11 2HG PRO 11 7.942 -8.501 1.713
75 HD2 PRO 11 1HD PRO 11 6.842 -5.936 1.972
76 HD3 PRO 11 2HD PRO 11 8.109 -6.430 0.819
77 H CYS 12 H CYS 12 4.382 -5.730 1.222
78 HA CYS 12 HA CYS 12 2.686 -5.405 2.830
79 HB2 CYS 12 1HB CYS 12 1.151 -7.398 1.096
80 HB3 CYS 12 2HB CYS 12 0.469 -6.376 2.375
81 HN1 NH2 13 1H NH2 13 3.887 -8.127 4.915
82 HN2 NH2 13 2H NH2 13 4.574 -6.854 3.926
Start of MODEL 15
1 H1 SER 1 1H SER 1 1.660 4.730 -6.191
2 H2 SER 1 2H SER 1 2.080 4.281 -4.616
3 H3 SER 1 3H SER 1 0.872 5.428 -4.939
4 HA SER 1 HA SER 1 -0.567 3.888 -5.880
5 HB2 SER 1 1HB SER 1 1.821 2.051 -5.579
6 HB3 SER 1 2HB SER 1 0.168 1.486 -5.940
7 HG SER 1 HG SER 1 0.993 1.835 -7.938
8 H THR 2 H THR 2 -2.120 3.020 -4.522
9 HA THR 2 HA THR 2 -1.248 2.618 -1.694
10 HB THR 2 HB THR 2 -3.817 3.765 -2.865
11 HG1 THR 2 HG1 THR 2 -1.876 4.715 -1.034
12 HG21 THR 2 1HG2 THR 2 -4.434 3.958 -0.376
13 HG22 THR 2 2HG2 THR 2 -3.305 2.588 -0.140
14 HG23 THR 2 3HG2 THR 2 -4.731 2.425 -1.227
15 H CYS 3 H CYS 3 -1.250 0.575 -1.124
16 HA CYS 3 HA CYS 3 -3.432 -1.203 -2.143
17 HB2 CYS 3 1HB CYS 3 -0.548 -2.039 -1.695
18 HB3 CYS 3 2HB CYS 3 -1.829 -3.008 -2.418
19 H CYS 4 H CYS 4 -0.719 -1.011 0.166
20 HA CYS 4 HA CYS 4 -2.485 -2.178 2.289
21 HB2 CYS 4 1HB CYS 4 0.516 -2.625 1.961
22 HB3 CYS 4 2HB CYS 4 -0.655 -3.549 2.965
23 H GLY 5 H GLY 5 -2.700 -0.803 4.051
24 HA2 GLY 5 1HA GLY 5 -2.349 1.054 5.454
25 HA3 GLY 5 2HA GLY 5 -0.663 0.531 5.420
26 H TYR 6 H TYR 6 -2.419 1.751 2.656
27 HA TYR 6 HA TYR 6 -2.238 3.525 1.284
28 HB2 TYR 6 1HB TYR 6 -2.926 4.935 3.066
29 HB3 TYR 6 2HB TYR 6 -1.290 4.973 3.734
30 HD1 TYR 6 HD1 TYR 6 0.309 6.538 2.937
31 HD2 TYR 6 HD2 TYR 6 -3.306 5.898 0.706
32 HE1 TYR 6 HE1 TYR 6 0.900 8.478 1.533
33 HE2 TYR 6 HE2 TYR 6 -2.716 7.929 -0.674
34 HH TYR 6 HH TYR 6 -1.243 9.689 -1.001
35 H ARG 7 H ARG 7 0.816 3.444 3.183
36 HA ARG 7 HA ARG 7 2.284 4.424 0.806
37 HB2 ARG 7 1HB ARG 7 4.233 3.863 2.622
38 HB3 ARG 7 2HB ARG 7 3.373 5.413 2.633
39 HG2 ARG 7 1HG ARG 7 3.425 4.749 4.860
40 HG3 ARG 7 2HG ARG 7 1.779 4.357 4.367
41 HD2 ARG 7 1HD ARG 7 2.389 2.017 4.120
42 HD3 ARG 7 2HD ARG 7 4.050 2.433 4.562
43 HE ARG 7 HE ARG 7 2.575 3.431 6.670
44 HH11 ARG 7 1HH1 ARG 7 2.095 2.318 8.569
45 HH12 ARG 7 2HH1 ARG 7 1.997 0.587 8.582
46 HH21 ARG 7 1HH2 ARG 7 2.725 0.175 5.199
47 HH22 ARG 7 2HH2 ARG 7 2.350 -0.634 6.727
48 H MET 8 H MET 8 1.610 1.206 1.907
49 HA MET 8 HA MET 8 4.122 0.244 0.492
50 HB2 MET 8 1HB MET 8 3.932 -0.244 2.939
51 HB3 MET 8 2HB MET 8 2.414 -1.072 2.662
52 HG2 MET 8 1HG MET 8 3.586 -2.727 1.200
53 HG3 MET 8 2HG MET 8 5.135 -1.980 1.677
54 HE1 MET 8 1HE MET 8 6.259 -2.276 4.299
55 HE2 MET 8 2HE MET 8 5.258 -2.737 5.662
56 HE3 MET 8 3HE MET 8 4.967 -1.194 4.876
57 H CYS 9 H CYS 9 3.889 -1.541 -0.901
58 HA CYS 9 HA CYS 9 1.233 -2.579 -1.534
59 HB2 CYS 9 1HB CYS 9 1.551 -0.472 -2.877
60 HB3 CYS 9 2HB CYS 9 2.917 -1.250 -3.674
61 H VAL 10 H VAL 10 4.715 -2.610 -2.599
62 HA VAL 10 HA VAL 10 4.400 -5.557 -2.487
63 HB VAL 10 HB VAL 10 4.071 -5.201 -4.831
64 HG11 VAL 10 1HG1 VAL 10 5.607 -3.834 -6.262
65 HG12 VAL 10 2HG1 VAL 10 6.471 -3.297 -4.804
66 HG13 VAL 10 3HG1 VAL 10 4.755 -2.858 -5.035
67 HG21 VAL 10 1HG2 VAL 10 7.018 -5.904 -4.453
68 HG22 VAL 10 2HG2 VAL 10 6.076 -6.146 -5.932
69 HG23 VAL 10 3HG2 VAL 10 5.620 -7.039 -4.453
70 HA PRO 11 HA PRO 11 5.295 -7.418 -1.392
71 HB2 PRO 11 1HB PRO 11 6.436 -7.149 1.383
72 HB3 PRO 11 2HB PRO 11 6.376 -8.609 0.310
73 HG2 PRO 11 1HG PRO 11 8.641 -7.384 0.708
74 HG3 PRO 11 2HG PRO 11 8.175 -7.966 -0.927
75 HD2 PRO 11 1HD PRO 11 7.988 -5.133 0.226
76 HD3 PRO 11 2HD PRO 11 8.699 -5.667 -1.326
77 H CYS 12 H CYS 12 3.310 -7.616 -0.147
78 HA CYS 12 HA CYS 12 2.386 -5.109 1.146
79 HB2 CYS 12 1HB CYS 12 0.927 -6.133 -0.596
80 HB3 CYS 12 2HB CYS 12 0.935 -7.652 0.340
81 HN1 NH2 13 1H NH2 13 2.877 -6.381 4.388
82 HN2 NH2 13 2H NH2 13 3.157 -5.084 3.254
Start of MODEL 16
1 H1 SER 1 1H SER 1 -0.168 5.486 -7.299
2 H2 SER 1 2H SER 1 0.703 4.116 -7.149
3 H3 SER 1 3H SER 1 0.901 5.289 -6.066
4 HA SER 1 HA SER 1 -1.279 4.958 -5.197
5 HB2 SER 1 1HB SER 1 -2.676 3.127 -6.119
6 HB3 SER 1 2HB SER 1 -2.408 4.465 -7.295
7 HG SER 1 HG SER 1 -2.133 2.199 -8.027
8 H THR 2 H THR 2 -1.709 3.386 -3.555
9 HA THR 2 HA THR 2 0.220 1.137 -3.430
10 HB THR 2 HB THR 2 0.575 1.555 -1.055
11 HG1 THR 2 HG1 THR 2 -0.232 4.101 -0.933
12 HG21 THR 2 1HG2 THR 2 1.837 3.809 -1.261
13 HG22 THR 2 2HG2 THR 2 1.298 3.832 -2.930
14 HG23 THR 2 3HG2 THR 2 2.333 2.501 -2.372
15 H CYS 3 H CYS 3 -0.608 -0.229 -1.285
16 HA CYS 3 HA CYS 3 -3.597 -0.312 -1.558
17 HB2 CYS 3 1HB CYS 3 -3.473 -2.767 -1.911
18 HB3 CYS 3 2HB CYS 3 -2.874 -1.795 -3.261
19 H CYS 4 H CYS 4 -0.758 -1.837 0.161
20 HA CYS 4 HA CYS 4 -2.515 -3.206 1.951
21 HB2 CYS 4 1HB CYS 4 -0.173 -3.824 1.365
22 HB3 CYS 4 2HB CYS 4 0.403 -2.559 2.453
23 H GLY 5 H GLY 5 -0.638 -0.206 2.313
24 HA2 GLY 5 1HA GLY 5 -2.439 0.549 4.534
25 HA3 GLY 5 2HA GLY 5 -0.744 0.290 4.990
26 H TYR 6 H TYR 6 -2.193 1.715 2.105
27 HA TYR 6 HA TYR 6 -2.090 3.704 1.070
28 HB2 TYR 6 1HB TYR 6 -1.730 4.915 3.816
29 HB3 TYR 6 2HB TYR 6 -2.307 5.743 2.332
30 HD1 TYR 6 HD1 TYR 6 -4.470 4.735 1.208
31 HD2 TYR 6 HD2 TYR 6 -3.280 3.795 5.248
32 HE1 TYR 6 HE1 TYR 6 -6.731 3.916 1.716
33 HE2 TYR 6 HE2 TYR 6 -5.545 2.953 5.712
34 HH TYR 6 HH TYR 6 -8.158 3.095 3.244
35 H ARG 7 H ARG 7 0.732 2.890 2.837
36 HA ARG 7 HA ARG 7 2.299 4.647 1.039
37 HB2 ARG 7 1HB ARG 7 3.962 4.716 3.035
38 HB3 ARG 7 2HB ARG 7 2.583 5.818 3.001
39 HG2 ARG 7 1HG ARG 7 2.924 5.025 5.218
40 HG3 ARG 7 2HG ARG 7 1.420 4.332 4.603
41 HD2 ARG 7 1HD ARG 7 2.811 2.201 4.040
42 HD3 ARG 7 2HD ARG 7 4.057 2.910 5.112
43 HE ARG 7 HE ARG 7 1.592 3.020 6.455
44 HH11 ARG 7 1HH1 ARG 7 0.910 1.519 7.964
45 HH12 ARG 7 2HH1 ARG 7 1.565 -0.104 7.932
46 HH21 ARG 7 1HH2 ARG 7 3.725 0.440 5.276
47 HH22 ARG 7 2HH2 ARG 7 3.134 -0.683 6.443
48 H MET 8 H MET 8 1.395 1.634 1.363
49 HA MET 8 HA MET 8 4.005 0.593 0.443
50 HB2 MET 8 1HB MET 8 4.033 0.300 2.858
51 HB3 MET 8 2HB MET 8 2.501 -0.623 2.808
52 HG2 MET 8 1HG MET 8 3.602 -2.407 1.518
53 HG3 MET 8 2HG MET 8 5.117 -1.427 1.512
54 HE1 MET 8 1HE MET 8 5.691 -0.043 4.175
55 HE2 MET 8 2HE MET 8 6.926 -1.156 3.523
56 HE3 MET 8 3HE MET 8 6.395 -1.282 5.225
57 H CYS 9 H CYS 9 3.813 -1.184 -0.991
58 HA CYS 9 HA CYS 9 1.390 -2.750 -1.146
59 HB2 CYS 9 1HB CYS 9 0.907 -0.490 -2.324
60 HB3 CYS 9 2HB CYS 9 2.067 -1.002 -3.525
61 H VAL 10 H VAL 10 1.774 -4.599 -2.301
62 HA VAL 10 HA VAL 10 3.148 -6.330 -2.927
63 HB VAL 10 HB VAL 10 3.717 -4.533 -5.311
64 HG11 VAL 10 1HG1 VAL 10 4.914 -6.651 -5.396
65 HG12 VAL 10 2HG1 VAL 10 3.526 -6.718 -6.499
66 HG13 VAL 10 3HG1 VAL 10 3.441 -7.556 -4.951
67 HG21 VAL 10 1HG2 VAL 10 1.547 -5.577 -6.148
68 HG22 VAL 10 2HG2 VAL 10 1.389 -4.301 -4.954
69 HG23 VAL 10 3HG2 VAL 10 1.193 -6.002 -4.427
70 HA PRO 11 HA PRO 11 3.991 -7.440 -1.387
71 HB2 PRO 11 1HB PRO 11 5.766 -8.165 0.531
72 HB3 PRO 11 2HB PRO 11 5.968 -8.750 -1.161
73 HG2 PRO 11 1HG PRO 11 7.345 -6.483 0.241
74 HG3 PRO 11 2HG PRO 11 8.015 -7.780 -0.783
75 HD2 PRO 11 1HD PRO 11 7.407 -5.222 -1.749
76 HD3 PRO 11 2HD PRO 11 7.436 -6.730 -2.749
77 H CYS 12 H CYS 12 3.560 -7.499 1.127
78 HA CYS 12 HA CYS 12 3.611 -4.664 2.080
79 HB2 CYS 12 1HB CYS 12 1.365 -5.798 1.798
80 HB3 CYS 12 2HB CYS 12 1.871 -7.002 2.988
81 HN1 NH2 13 1H NH2 13 6.172 -5.700 4.261
82 HN2 NH2 13 2H NH2 13 5.684 -4.602 3.016
Start of MODEL 17
1 H1 SER 1 1H SER 1 0.738 3.162 -6.990
2 H2 SER 1 2H SER 1 -0.287 3.781 -5.880
3 H3 SER 1 3H SER 1 -0.298 2.193 -6.174
4 HA SER 1 HA SER 1 1.993 2.015 -5.361
5 HB2 SER 1 1HB SER 1 2.383 4.456 -5.879
6 HB3 SER 1 2HB SER 1 1.519 4.865 -4.384
7 HG SER 1 HG SER 1 3.744 4.764 -4.066
8 H THR 2 H THR 2 -1.042 3.527 -4.096
9 HA THR 2 HA THR 2 -0.638 2.395 -1.415
10 HB THR 2 HB THR 2 -3.032 3.804 -2.754
11 HG1 THR 2 HG1 THR 2 -1.181 4.807 -0.806
12 HG21 THR 2 1HG2 THR 2 -3.653 4.243 -0.315
13 HG22 THR 2 2HG2 THR 2 -2.562 2.921 0.093
14 HG23 THR 2 3HG2 THR 2 -3.963 2.616 -0.937
15 H CYS 3 H CYS 3 -0.988 0.277 -1.005
16 HA CYS 3 HA CYS 3 -3.474 -0.892 -2.188
17 HB2 CYS 3 1HB CYS 3 -0.945 -2.520 -1.922
18 HB3 CYS 3 2HB CYS 3 -2.435 -2.955 -2.738
19 H CYS 4 H CYS 4 -0.874 -1.360 0.261
20 HA CYS 4 HA CYS 4 -2.917 -2.937 1.808
21 HB2 CYS 4 1HB CYS 4 -0.129 -3.457 1.091
22 HB3 CYS 4 2HB CYS 4 -0.307 -3.401 2.853
23 H GLY 5 H GLY 5 0.063 -0.965 2.362
24 HA2 GLY 5 1HA GLY 5 -0.887 -0.307 5.145
25 HA3 GLY 5 2HA GLY 5 0.792 -0.400 4.581
26 H TYR 6 H TYR 6 -1.814 1.065 2.850
27 HA TYR 6 HA TYR 6 -2.214 3.086 1.999
28 HB2 TYR 6 1HB TYR 6 -2.362 3.572 4.526
29 HB3 TYR 6 2HB TYR 6 -0.824 4.385 4.335
30 HD1 TYR 6 HD1 TYR 6 -4.346 4.271 2.924
31 HD2 TYR 6 HD2 TYR 6 -0.837 6.694 3.468
32 HE1 TYR 6 HE1 TYR 6 -5.588 6.272 2.086
33 HE2 TYR 6 HE2 TYR 6 -2.072 8.678 2.625
34 HH TYR 6 HH TYR 6 -5.475 8.541 1.620
35 H ARG 7 H ARG 7 1.089 3.537 3.443
36 HA ARG 7 HA ARG 7 1.838 5.077 1.021
37 HB2 ARG 7 1HB ARG 7 4.099 5.244 2.428
38 HB3 ARG 7 2HB ARG 7 2.684 6.136 2.949
39 HG2 ARG 7 1HG ARG 7 3.847 5.190 4.861
40 HG3 ARG 7 2HG ARG 7 2.226 4.522 4.692
41 HD2 ARG 7 1HD ARG 7 3.154 2.509 3.726
42 HD3 ARG 7 2HD ARG 7 4.798 3.173 3.811
43 HE ARG 7 HE ARG 7 3.983 3.378 6.424
44 HH11 ARG 7 1HH1 ARG 7 4.050 1.837 7.998
45 HH12 ARG 7 2HH1 ARG 7 4.119 0.150 7.583
46 HH21 ARG 7 1HH2 ARG 7 3.983 0.656 4.192
47 HH22 ARG 7 2HH2 ARG 7 4.049 -0.547 5.446
48 H MET 8 H MET 8 1.453 1.943 1.201
49 HA MET 8 HA MET 8 3.844 1.254 -0.391
50 HB2 MET 8 1HB MET 8 4.308 0.947 2.078
51 HB3 MET 8 2HB MET 8 3.039 -0.287 2.084
52 HG2 MET 8 1HG MET 8 5.253 -1.352 1.921
53 HG3 MET 8 2HG MET 8 4.270 -1.633 0.468
54 HE1 MET 8 1HE MET 8 7.866 1.239 0.696
55 HE2 MET 8 2HE MET 8 7.157 0.340 2.065
56 HE3 MET 8 3HE MET 8 6.287 1.723 1.365
57 H CYS 9 H CYS 9 3.575 -0.681 -1.615
58 HA CYS 9 HA CYS 9 0.732 -1.607 -1.661
59 HB2 CYS 9 1HB CYS 9 1.672 -0.593 -3.736
60 HB3 CYS 9 2HB CYS 9 2.822 -1.905 -3.854
61 H VAL 10 H VAL 10 4.050 -2.841 -2.187
62 HA VAL 10 HA VAL 10 3.339 -5.362 -0.780
63 HB VAL 10 HB VAL 10 4.477 -6.708 -2.654
64 HG11 VAL 10 1HG1 VAL 10 2.482 -7.017 -3.950
65 HG12 VAL 10 2HG1 VAL 10 2.011 -5.312 -3.770
66 HG13 VAL 10 3HG1 VAL 10 1.904 -6.399 -2.411
67 HG21 VAL 10 1HG2 VAL 10 5.599 -4.651 -3.677
68 HG22 VAL 10 2HG2 VAL 10 4.026 -4.284 -4.414
69 HG23 VAL 10 3HG2 VAL 10 4.834 -5.794 -4.813
70 HA PRO 11 HA PRO 11 4.821 -7.400 -0.741
71 HB2 PRO 11 1HB PRO 11 6.295 -8.482 1.326
72 HB3 PRO 11 2HB PRO 11 6.883 -8.326 -0.369
73 HG2 PRO 11 1HG PRO 11 7.479 -6.593 1.997
74 HG3 PRO 11 2HG PRO 11 8.559 -7.228 0.714
75 HD2 PRO 11 1HD PRO 11 7.537 -4.667 0.752
76 HD3 PRO 11 2HD PRO 11 8.050 -5.564 -0.729
77 H CYS 12 H CYS 12 3.277 -8.340 0.586
78 HA CYS 12 HA CYS 12 2.701 -6.869 3.104
79 HB2 CYS 12 1HB CYS 12 1.426 -5.859 1.185
80 HB3 CYS 12 2HB CYS 12 0.639 -7.411 0.944
81 HN1 NH2 13 1H NH2 13 1.098 -10.572 2.444
82 HN2 NH2 13 2H NH2 13 1.057 -9.440 1.134
Start of MODEL 18
1 H1 SER 1 1H SER 1 -3.844 3.897 -5.995
2 H2 SER 1 2H SER 1 -3.423 2.394 -6.658
3 H3 SER 1 3H SER 1 -3.606 3.680 -7.682
4 HA SER 1 HA SER 1 -1.291 3.402 -7.518
5 HB2 SER 1 1HB SER 1 -1.834 5.711 -7.402
6 HB3 SER 1 2HB SER 1 -2.297 5.595 -5.684
7 HG SER 1 HG SER 1 0.246 5.735 -6.938
8 H THR 2 H THR 2 -2.374 3.988 -4.078
9 HA THR 2 HA THR 2 -0.072 2.518 -3.035
10 HB THR 2 HB THR 2 -1.267 2.829 -0.828
11 HG1 THR 2 HG1 THR 2 -3.256 3.768 -0.792
12 HG21 THR 2 1HG2 THR 2 0.134 4.712 -1.797
13 HG22 THR 2 2HG2 THR 2 -1.221 5.305 -0.803
14 HG23 THR 2 3HG2 THR 2 -1.331 5.340 -2.579
15 H CYS 3 H CYS 3 -0.352 0.423 -1.711
16 HA CYS 3 HA CYS 3 -2.769 -1.057 -2.657
17 HB2 CYS 3 1HB CYS 3 -0.239 -2.613 -2.639
18 HB3 CYS 3 2HB CYS 3 -1.660 -2.729 -3.657
19 H CYS 4 H CYS 4 -0.456 -0.521 -0.092
20 HA CYS 4 HA CYS 4 -1.931 -2.393 1.658
21 HB2 CYS 4 1HB CYS 4 0.013 -3.742 0.775
22 HB3 CYS 4 2HB CYS 4 1.065 -2.362 1.133
23 H GLY 5 H GLY 5 -1.718 -1.786 3.944
24 HA2 GLY 5 1HA GLY 5 -1.479 -0.211 5.623
25 HA3 GLY 5 2HA GLY 5 0.140 0.145 4.880
26 H TYR 6 H TYR 6 -0.048 2.431 5.388
27 HA TYR 6 HA TYR 6 -2.219 3.995 4.257
28 HB2 TYR 6 1HB TYR 6 -0.870 4.643 6.247
29 HB3 TYR 6 2HB TYR 6 0.536 4.799 5.215
30 HD1 TYR 6 HD1 TYR 6 -2.859 6.237 5.904
31 HD2 TYR 6 HD2 TYR 6 0.927 6.843 4.006
32 HE1 TYR 6 HE1 TYR 6 -3.412 8.637 5.468
33 HE2 TYR 6 HE2 TYR 6 0.367 9.189 3.590
34 HH TYR 6 HH TYR 6 -2.815 10.525 4.316
35 H ARG 7 H ARG 7 1.118 3.190 3.245
36 HA ARG 7 HA ARG 7 0.357 3.948 0.526
37 HB2 ARG 7 1HB ARG 7 2.413 5.377 0.156
38 HB3 ARG 7 2HB ARG 7 1.181 6.030 1.234
39 HG2 ARG 7 1HG ARG 7 3.161 6.634 2.202
40 HG3 ARG 7 2HG ARG 7 2.559 5.348 3.224
41 HD2 ARG 7 1HD ARG 7 4.398 4.422 1.071
42 HD3 ARG 7 2HD ARG 7 5.094 5.552 2.237
43 HE ARG 7 HE ARG 7 4.552 2.751 2.646
44 HH11 ARG 7 1HH1 ARG 7 4.892 1.857 4.785
45 HH12 ARG 7 2HH1 ARG 7 4.857 2.938 6.207
46 HH21 ARG 7 1HH2 ARG 7 4.319 5.870 4.432
47 HH22 ARG 7 2HH2 ARG 7 4.643 5.145 5.992
48 H MET 8 H MET 8 1.455 1.498 2.109
49 HA MET 8 HA MET 8 3.905 0.910 0.643
50 HB2 MET 8 1HB MET 8 2.162 -0.896 2.386
51 HB3 MET 8 2HB MET 8 3.774 -1.280 1.772
52 HG2 MET 8 1HG MET 8 3.165 0.963 3.692
53 HG3 MET 8 2HG MET 8 3.837 -0.613 4.129
54 HE1 MET 8 1HE MET 8 7.515 -0.121 4.149
55 HE2 MET 8 2HE MET 8 6.226 -1.367 4.252
56 HE3 MET 8 3HE MET 8 6.151 0.085 5.290
57 H CYS 9 H CYS 9 3.733 -1.570 -0.274
58 HA CYS 9 HA CYS 9 1.202 -1.992 -1.698
59 HB2 CYS 9 1HB CYS 9 2.539 -0.415 -3.112
60 HB3 CYS 9 2HB CYS 9 3.733 -1.713 -3.313
61 H VAL 10 H VAL 10 1.863 -4.283 -3.129
62 HA VAL 10 HA VAL 10 2.515 -6.022 -0.992
63 HB VAL 10 HB VAL 10 2.485 -7.841 -2.775
64 HG11 VAL 10 1HG1 VAL 10 0.096 -7.588 -3.371
65 HG12 VAL 10 2HG1 VAL 10 0.136 -5.908 -2.923
66 HG13 VAL 10 3HG1 VAL 10 0.370 -7.138 -1.694
67 HG21 VAL 10 1HG2 VAL 10 1.963 -5.543 -4.706
68 HG22 VAL 10 2HG2 VAL 10 1.911 -7.257 -5.079
69 HG23 VAL 10 3HG2 VAL 10 3.449 -6.512 -4.651
70 HA PRO 11 HA PRO 11 3.616 -8.465 -0.669
71 HB2 PRO 11 1HB PRO 11 5.523 -8.809 1.284
72 HB3 PRO 11 2HB PRO 11 5.631 -9.555 -0.349
73 HG2 PRO 11 1HG PRO 11 6.848 -6.999 0.706
74 HG3 PRO 11 2HG PRO 11 7.683 -8.345 -0.115
75 HD2 PRO 11 1HD PRO 11 6.877 -6.168 -1.551
76 HD3 PRO 11 2HD PRO 11 6.668 -7.816 -2.242
77 H CYS 12 H CYS 12 2.367 -8.343 1.243
78 HA CYS 12 HA CYS 12 2.501 -5.711 2.709
79 HB2 CYS 12 1HB CYS 12 0.657 -5.911 1.002
80 HB3 CYS 12 2HB CYS 12 0.055 -7.335 1.866
81 HN1 NH2 13 1H NH2 13 2.081 -7.583 5.760
82 HN2 NH2 13 2H NH2 13 2.314 -6.020 5.078
Start of MODEL 19
1 H1 SER 1 1H SER 1 0.875 3.857 -6.064
2 H2 SER 1 2H SER 1 0.223 5.311 -5.856
3 H3 SER 1 3H SER 1 0.280 4.680 -7.338
4 HA SER 1 HA SER 1 -1.951 4.549 -6.454
5 HB2 SER 1 1HB SER 1 -2.185 2.035 -6.811
6 HB3 SER 1 2HB SER 1 -1.370 2.910 -8.121
7 HG SER 1 HG SER 1 -0.434 0.814 -7.107
8 H THR 2 H THR 2 -3.368 3.262 -4.915
9 HA THR 2 HA THR 2 -2.207 3.487 -2.221
10 HB THR 2 HB THR 2 -4.579 2.756 -1.595
11 HG1 THR 2 HG1 THR 2 -6.013 2.386 -3.224
12 HG21 THR 2 1HG2 THR 2 -4.127 5.124 -1.686
13 HG22 THR 2 2HG2 THR 2 -5.664 4.834 -2.539
14 HG23 THR 2 3HG2 THR 2 -4.179 5.094 -3.477
15 H CYS 3 H CYS 3 -2.278 1.659 -0.726
16 HA CYS 3 HA CYS 3 -2.540 -1.108 -1.770
17 HB2 CYS 3 1HB CYS 3 -0.161 -0.155 -2.367
18 HB3 CYS 3 2HB CYS 3 0.130 -0.217 -0.637
19 H CYS 4 H CYS 4 -1.006 -2.146 0.562
20 HA CYS 4 HA CYS 4 -2.837 -1.737 2.733
21 HB2 CYS 4 1HB CYS 4 0.066 -2.778 2.702
22 HB3 CYS 4 2HB CYS 4 -1.050 -2.906 4.085
23 H GLY 5 H GLY 5 -2.523 -0.533 4.707
24 HA2 GLY 5 1HA GLY 5 -1.898 1.442 5.827
25 HA3 GLY 5 2HA GLY 5 -0.353 1.455 4.857
26 H TYR 6 H TYR 6 -0.575 3.729 4.290
27 HA TYR 6 HA TYR 6 -2.703 4.360 2.356
28 HB2 TYR 6 1HB TYR 6 -0.213 5.683 3.363
29 HB3 TYR 6 2HB TYR 6 -0.907 6.238 1.846
30 HD1 TYR 6 HD1 TYR 6 -3.615 6.436 2.002
31 HD2 TYR 6 HD2 TYR 6 -0.859 6.926 5.281
32 HE1 TYR 6 HE1 TYR 6 -5.331 7.795 3.185
33 HE2 TYR 6 HE2 TYR 6 -2.613 8.296 6.486
34 HH TYR 6 HH TYR 6 -5.776 9.025 5.116
35 H ARG 7 H ARG 7 0.833 3.459 2.339
36 HA ARG 7 HA ARG 7 0.330 1.917 -0.083
37 HB2 ARG 7 1HB ARG 7 2.785 3.135 -0.734
38 HB3 ARG 7 2HB ARG 7 1.266 3.322 -1.582
39 HG2 ARG 7 1HG ARG 7 1.416 5.583 -1.212
40 HG3 ARG 7 2HG ARG 7 1.218 5.262 0.520
41 HD2 ARG 7 1HD ARG 7 3.893 5.282 -0.956
42 HD3 ARG 7 2HD ARG 7 3.213 6.570 0.082
43 HE ARG 7 HE ARG 7 4.407 4.019 0.875
44 HH11 ARG 7 1HH1 ARG 7 4.824 3.639 3.026
45 HH12 ARG 7 2HH1 ARG 7 4.084 4.634 4.245
46 HH21 ARG 7 1HH2 ARG 7 2.488 6.814 1.981
47 HH22 ARG 7 2HH2 ARG 7 2.793 6.416 3.700
48 H MET 8 H MET 8 1.611 0.065 0.112
49 HA MET 8 HA MET 8 4.131 0.027 1.520
50 HB2 MET 8 1HB MET 8 2.221 0.066 3.341
51 HB3 MET 8 2HB MET 8 1.858 -1.568 2.798
52 HG2 MET 8 1HG MET 8 4.163 -2.275 3.438
53 HG3 MET 8 2HG MET 8 4.514 -0.596 3.890
54 HE1 MET 8 1HE MET 8 5.225 -1.111 6.276
55 HE2 MET 8 2HE MET 8 5.027 -2.831 5.853
56 HE3 MET 8 3HE MET 8 4.348 -2.205 7.376
57 H CYS 9 H CYS 9 3.366 -0.476 -1.077
58 HA CYS 9 HA CYS 9 2.725 -3.355 -1.383
59 HB2 CYS 9 1HB CYS 9 2.646 -0.928 -3.062
60 HB3 CYS 9 2HB CYS 9 3.237 -2.343 -3.908
61 H VAL 10 H VAL 10 4.717 -4.004 -0.274
62 HA VAL 10 HA VAL 10 7.235 -3.708 -1.637
63 HB VAL 10 HB VAL 10 6.895 -3.779 0.839
64 HG11 VAL 10 1HG1 VAL 10 6.608 -6.782 0.396
65 HG12 VAL 10 2HG1 VAL 10 5.363 -5.666 1.012
66 HG13 VAL 10 3HG1 VAL 10 6.819 -5.982 1.988
67 HG21 VAL 10 1HG2 VAL 10 9.150 -4.078 -0.299
68 HG22 VAL 10 2HG2 VAL 10 8.960 -5.814 -0.078
69 HG23 VAL 10 3HG2 VAL 10 9.037 -4.735 1.341
70 HA PRO 11 HA PRO 11 3.920 -5.265 -2.790
71 HB2 PRO 11 1HB PRO 11 2.784 -7.566 -3.527
72 HB3 PRO 11 2HB PRO 11 3.817 -6.642 -4.682
73 HG2 PRO 11 1HG PRO 11 4.489 -9.003 -2.979
74 HG3 PRO 11 2HG PRO 11 4.873 -8.733 -4.720
75 HD2 PRO 11 1HD PRO 11 6.718 -8.318 -2.870
76 HD3 PRO 11 2HD PRO 11 6.619 -7.292 -4.299
77 H CYS 12 H CYS 12 2.024 -5.343 -1.566
78 HA CYS 12 HA CYS 12 2.343 -6.711 1.038
79 HB2 CYS 12 1HB CYS 12 1.253 -4.449 0.685
80 HB3 CYS 12 2HB CYS 12 -0.126 -5.293 -0.059
81 HN1 NH2 13 1H NH2 13 0.444 -9.604 0.596
82 HN2 NH2 13 2H NH2 13 1.677 -8.753 1.499
Start of MODEL 20
1 H1 SER 1 1H SER 1 0.565 2.929 -6.886
2 H2 SER 1 2H SER 1 0.749 4.559 -6.704
3 H3 SER 1 3H SER 1 -0.017 3.915 -8.079
4 HA SER 1 HA SER 1 -1.390 4.957 -6.154
5 HB2 SER 1 1HB SER 1 -2.328 3.707 -8.084
6 HB3 SER 1 2HB SER 1 -2.002 2.159 -7.249
7 HG SER 1 HG SER 1 -4.168 2.872 -6.915
8 H THR 2 H THR 2 -2.148 4.587 -3.965
9 HA THR 2 HA THR 2 -0.336 2.979 -2.401
10 HB THR 2 HB THR 2 -1.658 3.660 -0.463
11 HG1 THR 2 HG1 THR 2 -3.595 4.095 -2.396
12 HG21 THR 2 1HG2 THR 2 -0.092 5.306 -1.469
13 HG22 THR 2 2HG2 THR 2 -1.455 6.089 -0.659
14 HG23 THR 2 3HG2 THR 2 -1.420 5.961 -2.416
15 H CYS 3 H CYS 3 -0.730 1.055 -1.162
16 HA CYS 3 HA CYS 3 -3.167 -0.424 -1.959
17 HB2 CYS 3 1HB CYS 3 -0.439 -1.623 -1.552
18 HB3 CYS 3 2HB CYS 3 -1.837 -2.468 -2.153
19 H CYS 4 H CYS 4 -1.442 -2.572 -0.188
20 HA CYS 4 HA CYS 4 -3.065 -2.361 2.107
21 HB2 CYS 4 1HB CYS 4 -1.377 -4.069 3.060
22 HB3 CYS 4 2HB CYS 4 -2.143 -4.429 1.489
23 H GLY 5 H GLY 5 -3.098 -1.108 3.964
24 HA2 GLY 5 1HA GLY 5 -2.213 0.030 5.736
25 HA3 GLY 5 2HA GLY 5 -0.630 -0.629 5.331
26 H TYR 6 H TYR 6 -2.184 1.106 2.764
27 HA TYR 6 HA TYR 6 -1.734 3.035 1.713
28 HB2 TYR 6 1HB TYR 6 -0.993 4.199 4.425
29 HB3 TYR 6 2HB TYR 6 -1.310 5.117 2.934
30 HD1 TYR 6 HD1 TYR 6 -3.638 4.863 1.868
31 HD2 TYR 6 HD2 TYR 6 -2.803 3.664 5.929
32 HE1 TYR 6 HE1 TYR 6 -6.078 4.885 2.390
33 HE2 TYR 6 HE2 TYR 6 -5.202 3.649 6.379
34 HH TYR 6 HH TYR 6 -7.741 4.523 4.068
35 H ARG 7 H ARG 7 -0.166 4.112 0.647
36 HA ARG 7 HA ARG 7 1.753 4.300 -0.479
37 HB2 ARG 7 1HB ARG 7 3.604 5.211 0.495
38 HB3 ARG 7 2HB ARG 7 2.280 5.750 1.488
39 HG2 ARG 7 1HG ARG 7 3.672 3.329 2.560
40 HG3 ARG 7 2HG ARG 7 4.666 4.780 2.422
41 HD2 ARG 7 1HD ARG 7 3.429 5.952 4.024
42 HD3 ARG 7 2HD ARG 7 1.959 5.031 3.652
43 HE ARG 7 HE ARG 7 4.038 3.480 4.892
44 HH11 ARG 7 1HH1 ARG 7 3.620 2.493 6.859
45 HH12 ARG 7 2HH1 ARG 7 2.218 2.946 7.759
46 HH21 ARG 7 1HH2 ARG 7 1.148 5.357 5.436
47 HH22 ARG 7 2HH2 ARG 7 0.901 4.581 7.011
48 H MET 8 H MET 8 2.254 1.831 1.957
49 HA MET 8 HA MET 8 4.236 0.352 0.529
50 HB2 MET 8 1HB MET 8 3.782 0.257 2.978
51 HB3 MET 8 2HB MET 8 2.230 -0.497 2.634
52 HG2 MET 8 1HG MET 8 3.291 -2.477 1.782
53 HG3 MET 8 2HG MET 8 4.905 -1.750 1.923
54 HE1 MET 8 1HE MET 8 1.915 -3.442 4.125
55 HE2 MET 8 2HE MET 8 1.799 -1.694 4.403
56 HE3 MET 8 3HE MET 8 2.308 -2.756 5.718
57 H CYS 9 H CYS 9 3.939 -1.621 -0.606
58 HA CYS 9 HA CYS 9 1.250 -2.511 -1.310
59 HB2 CYS 9 1HB CYS 9 1.842 -0.521 -2.823
60 HB3 CYS 9 2HB CYS 9 3.104 -1.550 -3.502
61 H VAL 10 H VAL 10 4.778 -2.857 -2.349
62 HA VAL 10 HA VAL 10 4.314 -5.806 -2.149
63 HB VAL 10 HB VAL 10 5.787 -4.493 -4.473
64 HG11 VAL 10 1HG1 VAL 10 4.881 -7.398 -3.951
65 HG12 VAL 10 2HG1 VAL 10 6.572 -6.803 -3.984
66 HG13 VAL 10 3HG1 VAL 10 5.603 -6.800 -5.476
67 HG21 VAL 10 1HG2 VAL 10 3.787 -5.311 -5.861
68 HG22 VAL 10 2HG2 VAL 10 3.417 -3.989 -4.766
69 HG23 VAL 10 3HG2 VAL 10 2.940 -5.626 -4.296
70 HA PRO 11 HA PRO 11 5.002 -7.313 -0.825
71 HB2 PRO 11 1HB PRO 11 6.115 -7.934 1.625
72 HB3 PRO 11 2HB PRO 11 6.844 -8.459 0.045
73 HG2 PRO 11 1HG PRO 11 7.476 -5.987 1.726
74 HG3 PRO 11 2HG PRO 11 8.572 -7.299 1.223
75 HD2 PRO 11 1HD PRO 11 8.311 -4.970 -0.138
76 HD3 PRO 11 2HD PRO 11 8.539 -6.526 -0.983
77 H CYS 12 H CYS 12 3.367 -7.565 0.870
78 HA CYS 12 HA CYS 12 2.743 -5.031 2.355
79 HB2 CYS 12 1HB CYS 12 1.198 -7.658 2.013
80 HB3 CYS 12 2HB CYS 12 0.659 -6.325 3.051
81 HN1 NH2 13 1H NH2 13 3.988 -6.036 5.406
82 HN2 NH2 13 2H NH2 13 3.705 -4.758 4.220
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