Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
553879 | 2lz5 RC | 18736 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -8.116 5.736 -4.313
2 H2 GLY 1 H2 GLY 1 -8.112 4.108 -3.840
3 H3 GLY 1 H3 GLY 1 -7.167 4.598 -5.127
4 HA2 GLY 1 HA2 GLY 1 -5.802 5.917 -3.665
5 HA3 GLY 1 HA3 GLY 1 -6.813 5.398 -2.320
6 H CYS 2 H CYS 2 -4.171 4.686 -4.280
7 HA CYS 2 HA CYS 2 -4.051 1.888 -4.198
8 HB2 CYS 2 HB2 CYS 2 -2.665 3.494 -5.584
9 HB3 CYS 2 HB3 CYS 2 -1.751 3.792 -4.145
10 H CYS 3 H CYS 3 -2.537 4.301 -2.190
11 HA CYS 3 HA CYS 3 -1.387 2.327 -0.450
12 HB2 CYS 3 HB2 CYS 3 -0.377 4.594 -0.906
13 HB3 CYS 3 HB3 CYS 3 -1.611 5.277 0.143
14 H SER 4 H SER 4 -4.483 3.468 -0.641
15 HA SER 4 HA SER 4 -5.025 3.006 2.179
16 HB2 SER 4 HB2 SER 4 -6.051 4.970 0.990
17 HB3 SER 4 HB3 SER 4 -6.927 3.836 -0.035
18 HG SER 4 HG SER 4 -7.118 3.818 2.794
19 H ASP 5 H ASP 5 -4.870 1.389 -0.771
20 HA ASP 5 HA ASP 5 -6.819 -0.671 -0.054
21 HB2 ASP 5 HB2 ASP 5 -6.973 0.274 -2.335
22 HB3 ASP 5 HB3 ASP 5 -5.295 -0.151 -2.623
23 HA PRO 6 HA PRO 6 -3.362 -2.793 1.782
24 HB2 PRO 6 HB2 PRO 6 -5.033 -5.230 1.395
25 HB3 PRO 6 HB3 PRO 6 -4.261 -4.602 2.848
26 HG2 PRO 6 HG2 PRO 6 -6.906 -4.337 2.446
27 HG3 PRO 6 HG3 PRO 6 -5.947 -3.118 3.299
28 HD2 PRO 6 HD2 PRO 6 -7.075 -3.048 0.544
29 HD3 PRO 6 HD3 PRO 6 -6.802 -1.727 1.698
30 HA PRO 7 HA PRO 7 -2.162 -5.928 -1.678
31 HB2 PRO 7 HB2 PRO 7 -3.966 -5.135 -3.902
32 HB3 PRO 7 HB3 PRO 7 -3.418 -6.744 -3.402
33 HG2 PRO 7 HG2 PRO 7 -5.907 -6.017 -2.907
34 HG3 PRO 7 HG3 PRO 7 -4.964 -6.889 -1.686
35 HD2 PRO 7 HD2 PRO 7 -5.523 -3.952 -1.876
36 HD3 PRO 7 HD3 PRO 7 -5.671 -5.026 -0.469
37 H CYS 8 H CYS 8 -3.285 -2.716 -2.323
38 HA CYS 8 HA CYS 8 -1.139 -2.145 -4.226
39 HB2 CYS 8 HB2 CYS 8 -3.733 -1.421 -4.224
40 HB3 CYS 8 HB3 CYS 8 -3.103 -0.109 -3.248
41 H ARG 9 H ARG 9 -1.291 -2.472 -1.019
42 HA ARG 9 HA ARG 9 0.351 -0.079 -0.398
43 HB2 ARG 9 HB2 ARG 9 -1.965 -0.348 0.623
44 HB3 ARG 9 HB3 ARG 9 -1.317 -1.726 1.454
45 HG2 ARG 9 HG2 ARG 9 0.377 -0.336 2.517
46 HG3 ARG 9 HG3 ARG 9 -0.347 1.081 1.745
47 HD2 ARG 9 HD2 ARG 9 -1.186 0.862 4.028
48 HD3 ARG 9 HD3 ARG 9 -2.478 0.597 2.856
49 HE ARG 9 HE ARG 9 -1.076 -1.741 3.815
50 HH11 ARG 9 HH11 ARG 9 -4.006 0.264 4.170
51 HH12 ARG 9 HH12 ARG 9 -4.876 -0.963 4.958
52 HH21 ARG 9 HH21 ARG 9 -2.309 -3.381 4.875
53 HH22 ARG 9 HH22 ARG 9 -3.910 -3.058 5.364
54 H ASN 10 H ASN 10 -0.360 -3.371 0.547
55 HA ASN 10 HA ASN 10 1.966 -3.788 2.089
56 HB2 ASN 10 HB2 ASN 10 -0.006 -5.131 2.493
57 HB3 ASN 10 HB3 ASN 10 0.065 -5.794 0.870
58 HD21 ASN 10 HD21 ASN 10 1.343 -7.534 0.486
59 HD22 ASN 10 HD22 ASN 10 2.285 -8.335 1.685
60 H LYS 11 H LYS 11 1.502 -4.017 -1.304
61 HA LYS 11 HA LYS 11 3.923 -5.521 -1.710
62 HB2 LYS 11 HB2 LYS 11 1.934 -4.202 -3.523
63 HB3 LYS 11 HB3 LYS 11 3.333 -5.025 -4.121
64 HG2 LYS 11 HG2 LYS 11 2.537 -7.108 -2.958
65 HG3 LYS 11 HG3 LYS 11 1.088 -6.217 -2.496
66 HD2 LYS 11 HD2 LYS 11 0.568 -5.879 -4.878
67 HD3 LYS 11 HD3 LYS 11 1.988 -6.842 -5.305
68 HE2 LYS 11 HE2 LYS 11 1.036 -8.743 -4.052
69 HE3 LYS 11 HE3 LYS 11 -0.399 -7.780 -3.717
70 HZ1 LYS 11 HZ1 LYS 11 -0.791 -9.238 -5.546
71 HZ2 LYS 11 HZ2 LYS 11 0.534 -8.662 -6.399
72 HZ3 LYS 11 HZ3 LYS 11 -0.798 -7.668 -6.136
73 H HIS 12 H HIS 12 3.302 -2.501 -0.751
74 HA HIS 12 HA HIS 12 5.516 -1.296 -2.232
75 HB2 HIS 12 HB2 HIS 12 2.815 -0.068 -1.632
76 HB3 HIS 12 HB3 HIS 12 4.133 0.823 -2.354
77 HD1 HIS 12 HD1 HIS 12 4.723 0.103 -4.907
78 HD2 HIS 12 HD2 HIS 12 1.357 -1.658 -3.243
79 HE1 HIS 12 HE1 HIS 12 3.491 -1.026 -6.809
80 HA PRO 13 HA PRO 13 5.387 -0.919 2.509
81 HB2 PRO 13 HB2 PRO 13 7.567 -2.261 3.210
82 HB3 PRO 13 HB3 PRO 13 6.081 -3.101 2.740
83 HG2 PRO 13 HG2 PRO 13 8.543 -2.577 1.116
84 HG3 PRO 13 HG3 PRO 13 7.602 -4.071 1.266
85 HD2 PRO 13 HD2 PRO 13 7.334 -2.303 -0.810
86 HD3 PRO 13 HD3 PRO 13 6.039 -3.382 -0.261
87 H ASP 14 H ASP 14 7.373 0.270 0.164
88 HA ASP 14 HA ASP 14 9.320 1.511 1.906
89 HB2 ASP 14 HB2 ASP 14 9.998 0.930 -0.366
90 HB3 ASP 14 HB3 ASP 14 8.723 1.956 -1.019
91 H LEU 15 H LEU 15 6.634 2.608 -0.088
92 HA LEU 15 HA LEU 15 6.722 5.112 1.279
93 HB2 LEU 15 HB2 LEU 15 4.962 5.929 -0.225
94 HB3 LEU 15 HB3 LEU 15 6.335 5.311 -1.100
95 HG LEU 15 HG LEU 15 3.798 3.698 -0.742
96 HD11 LEU 15 HD11 LEU 15 3.231 5.814 -1.810
97 HD12 LEU 15 HD12 LEU 15 3.147 4.480 -2.961
98 HD13 LEU 15 HD13 LEU 15 4.528 5.576 -2.983
99 HD21 LEU 15 HD21 LEU 15 6.129 3.559 -2.656
100 HD22 LEU 15 HD22 LEU 15 4.615 2.725 -2.906
101 HD23 LEU 15 HD23 LEU 15 5.604 2.307 -1.514
102 H CYS 16 H CYS 16 4.774 2.182 1.228
103 HA CYS 16 HA CYS 16 3.091 3.344 3.259
104 HB2 CYS 16 HB2 CYS 16 2.602 1.154 1.270
105 HB3 CYS 16 HB3 CYS 16 1.480 1.793 2.459
106 HN1 NH2 17 HN1 NH2 17 4.503 2.643 4.942
107 HN2 NH2 17 HN2 NH2 17 4.767 0.972 5.288
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -7.866 3.950 -4.333
2 H2 GLY 1 H2 GLY 1 -7.937 5.569 -3.857
3 H3 GLY 1 H3 GLY 1 -7.469 4.368 -2.759
4 HA2 GLY 1 HA2 GLY 1 -5.963 5.101 -5.176
5 HA3 GLY 1 HA3 GLY 1 -5.537 5.557 -3.531
6 H CYS 2 H CYS 2 -3.585 4.407 -3.652
7 HA CYS 2 HA CYS 2 -3.865 1.463 -3.743
8 HB2 CYS 2 HB2 CYS 2 -2.580 2.712 -5.569
9 HB3 CYS 2 HB3 CYS 2 -1.426 3.065 -4.331
10 H CYS 3 H CYS 3 -2.271 4.223 -2.432
11 HA CYS 3 HA CYS 3 -0.593 2.910 -0.586
12 HB2 CYS 3 HB2 CYS 3 -0.418 5.319 -1.406
13 HB3 CYS 3 HB3 CYS 3 -1.646 5.709 -0.205
14 H SER 4 H SER 4 -3.950 3.739 -0.411
15 HA SER 4 HA SER 4 -4.016 2.834 2.376
16 HB2 SER 4 HB2 SER 4 -4.881 5.165 1.819
17 HB3 SER 4 HB3 SER 4 -6.153 4.395 0.879
18 HG SER 4 HG SER 4 -5.623 4.155 3.633
19 H ASP 5 H ASP 5 -3.947 1.331 -0.314
20 HA ASP 5 HA ASP 5 -6.417 -0.228 0.053
21 HB2 ASP 5 HB2 ASP 5 -6.302 0.881 -2.172
22 HB3 ASP 5 HB3 ASP 5 -4.758 0.084 -2.459
23 HA PRO 6 HA PRO 6 -3.287 -2.892 1.927
24 HB2 PRO 6 HB2 PRO 6 -5.636 -4.746 1.814
25 HB3 PRO 6 HB3 PRO 6 -4.510 -4.429 3.132
26 HG2 PRO 6 HG2 PRO 6 -6.927 -3.321 3.140
27 HG3 PRO 6 HG3 PRO 6 -5.505 -2.433 3.714
28 HD2 PRO 6 HD2 PRO 6 -7.035 -2.119 1.179
29 HD3 PRO 6 HD3 PRO 6 -6.175 -0.897 2.135
30 HA PRO 7 HA PRO 7 -3.661 -6.519 -1.453
31 HB2 PRO 7 HB2 PRO 7 -4.942 -4.808 -3.538
32 HB3 PRO 7 HB3 PRO 7 -5.052 -6.560 -3.310
33 HG2 PRO 7 HG2 PRO 7 -7.062 -5.047 -2.564
34 HG3 PRO 7 HG3 PRO 7 -6.507 -6.346 -1.492
35 HD2 PRO 7 HD2 PRO 7 -6.014 -3.404 -1.307
36 HD3 PRO 7 HD3 PRO 7 -6.379 -4.570 -0.019
37 H CYS 8 H CYS 8 -3.331 -3.092 -2.530
38 HA CYS 8 HA CYS 8 -0.869 -3.977 -3.818
39 HB2 CYS 8 HB2 CYS 8 -0.871 -1.960 -5.145
40 HB3 CYS 8 HB3 CYS 8 -2.436 -2.747 -5.278
41 H ARG 9 H ARG 9 -1.931 -2.303 -1.094
42 HA ARG 9 HA ARG 9 0.194 -0.512 -0.588
43 HB2 ARG 9 HB2 ARG 9 -2.088 -1.052 0.638
44 HB3 ARG 9 HB3 ARG 9 -1.097 -2.154 1.541
45 HG2 ARG 9 HG2 ARG 9 -0.451 0.732 1.298
46 HG3 ARG 9 HG3 ARG 9 -1.451 0.109 2.622
47 HD2 ARG 9 HD2 ARG 9 1.447 -0.476 1.983
48 HD3 ARG 9 HD3 ARG 9 0.831 0.372 3.395
49 HE ARG 9 HE ARG 9 -0.289 -2.160 3.390
50 HH11 ARG 9 HH11 ARG 9 2.871 -0.639 3.890
51 HH12 ARG 9 HH12 ARG 9 3.538 -2.017 4.669
52 HH21 ARG 9 HH21 ARG 9 0.691 -4.042 4.442
53 HH22 ARG 9 HH22 ARG 9 2.304 -3.942 4.979
54 H ASN 10 H ASN 10 -0.252 -3.876 0.118
55 HA ASN 10 HA ASN 10 2.214 -4.333 1.428
56 HB2 ASN 10 HB2 ASN 10 0.428 -6.232 -0.072
57 HB3 ASN 10 HB3 ASN 10 1.925 -6.772 0.672
58 HD21 ASN 10 HD21 ASN 10 0.829 -8.132 2.067
59 HD22 ASN 10 HD22 ASN 10 -0.078 -7.554 3.405
60 H LYS 11 H LYS 11 1.664 -3.659 -1.859
61 HA LYS 11 HA LYS 11 4.074 -4.896 -2.847
62 HB2 LYS 11 HB2 LYS 11 2.011 -3.076 -4.072
63 HB3 LYS 11 HB3 LYS 11 3.283 -3.828 -4.951
64 HG2 LYS 11 HG2 LYS 11 2.357 -6.050 -4.472
65 HG3 LYS 11 HG3 LYS 11 1.092 -5.308 -3.488
66 HD2 LYS 11 HD2 LYS 11 0.297 -4.102 -5.496
67 HD3 LYS 11 HD3 LYS 11 1.523 -4.926 -6.449
68 HE2 LYS 11 HE2 LYS 11 0.526 -7.079 -5.886
69 HE3 LYS 11 HE3 LYS 11 -0.692 -6.265 -4.906
70 HZ1 LYS 11 HZ1 LYS 11 -0.340 -5.957 -7.845
71 HZ2 LYS 11 HZ2 LYS 11 -1.494 -5.161 -6.936
72 HZ3 LYS 11 HZ3 LYS 11 -1.545 -6.824 -7.087
73 H HIS 12 H HIS 12 3.056 -2.107 -1.255
74 HA HIS 12 HA HIS 12 5.338 -0.510 -2.198
75 HB2 HIS 12 HB2 HIS 12 2.492 0.362 -1.770
76 HB3 HIS 12 HB3 HIS 12 3.782 1.496 -2.063
77 HD1 HIS 12 HD1 HIS 12 5.000 1.035 -4.599
78 HD2 HIS 12 HD2 HIS 12 1.250 -0.559 -3.835
79 HE1 HIS 12 HE1 HIS 12 4.069 0.362 -6.841
80 HA PRO 13 HA PRO 13 4.452 -0.610 2.560
81 HB2 PRO 13 HB2 PRO 13 6.435 -2.157 3.505
82 HB3 PRO 13 HB3 PRO 13 4.925 -2.855 2.905
83 HG2 PRO 13 HG2 PRO 13 7.567 -2.598 1.518
84 HG3 PRO 13 HG3 PRO 13 6.474 -3.994 1.586
85 HD2 PRO 13 HD2 PRO 13 6.568 -2.291 -0.532
86 HD3 PRO 13 HD3 PRO 13 5.094 -3.148 -0.047
87 H ASP 14 H ASP 14 6.957 0.018 0.511
88 HA ASP 14 HA ASP 14 8.989 1.075 2.138
89 HB2 ASP 14 HB2 ASP 14 9.231 0.437 -0.223
90 HB3 ASP 14 HB3 ASP 14 8.232 1.805 -0.680
91 H LEU 15 H LEU 15 6.654 2.809 0.124
92 HA LEU 15 HA LEU 15 7.098 5.127 1.720
93 HB2 LEU 15 HB2 LEU 15 5.862 6.427 0.096
94 HB3 LEU 15 HB3 LEU 15 7.041 5.432 -0.718
95 HG LEU 15 HG LEU 15 4.073 4.817 -0.611
96 HD11 LEU 15 HD11 LEU 15 4.470 6.887 -1.804
97 HD12 LEU 15 HD12 LEU 15 3.998 5.603 -2.915
98 HD13 LEU 15 HD13 LEU 15 5.688 6.096 -2.805
99 HD21 LEU 15 HD21 LEU 15 6.326 3.632 -2.243
100 HD22 LEU 15 HD22 LEU 15 4.621 3.391 -2.577
101 HD23 LEU 15 HD23 LEU 15 5.294 2.793 -1.068
102 H CYS 16 H CYS 16 4.572 2.720 1.200
103 HA CYS 16 HA CYS 16 2.837 4.207 2.925
104 HB2 CYS 16 HB2 CYS 16 2.424 1.801 1.178
105 HB3 CYS 16 HB3 CYS 16 1.189 2.653 2.094
106 HN1 NH2 17 HN1 NH2 17 3.846 3.758 4.858
107 HN2 NH2 17 HN2 NH2 17 3.960 2.177 5.541
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -7.064 5.150 -3.476
2 H2 GLY 1 H2 GLY 1 -6.675 6.770 -3.256
3 H3 GLY 1 H3 GLY 1 -6.334 5.630 -2.034
4 HA2 GLY 1 HA2 GLY 1 -5.118 5.703 -4.722
5 HA3 GLY 1 HA3 GLY 1 -4.329 6.192 -3.225
6 H CYS 2 H CYS 2 -2.905 4.446 -4.273
7 HA CYS 2 HA CYS 2 -3.587 1.697 -4.184
8 HB2 CYS 2 HB2 CYS 2 -1.677 2.780 -5.402
9 HB3 CYS 2 HB3 CYS 2 -0.913 3.007 -3.866
10 H CYS 3 H CYS 3 -2.004 3.881 -2.093
11 HA CYS 3 HA CYS 3 -1.411 2.020 -0.027
12 HB2 CYS 3 HB2 CYS 3 -0.134 4.102 -0.378
13 HB3 CYS 3 HB3 CYS 3 -1.514 5.040 0.147
14 H SER 4 H SER 4 -4.338 3.451 -0.934
15 HA SER 4 HA SER 4 -5.509 3.418 1.699
16 HB2 SER 4 HB2 SER 4 -6.858 3.692 -0.978
17 HB3 SER 4 HB3 SER 4 -7.404 4.272 0.597
18 HG SER 4 HG SER 4 -5.109 5.365 0.310
19 H ASP 5 H ASP 5 -4.674 1.215 -0.673
20 HA ASP 5 HA ASP 5 -6.814 -0.665 0.058
21 HB2 ASP 5 HB2 ASP 5 -7.007 -0.043 -2.276
22 HB3 ASP 5 HB3 ASP 5 -5.299 -0.365 -2.544
23 HA PRO 6 HA PRO 6 -3.284 -2.514 2.079
24 HB2 PRO 6 HB2 PRO 6 -5.091 -4.883 2.239
25 HB3 PRO 6 HB3 PRO 6 -4.154 -4.081 3.496
26 HG2 PRO 6 HG2 PRO 6 -6.797 -3.701 3.302
27 HG3 PRO 6 HG3 PRO 6 -5.696 -2.410 3.810
28 HD2 PRO 6 HD2 PRO 6 -7.077 -2.799 1.194
29 HD3 PRO 6 HD3 PRO 6 -6.669 -1.296 2.049
30 HA PRO 7 HA PRO 7 -2.560 -6.313 -0.870
31 HB2 PRO 7 HB2 PRO 7 -4.472 -5.716 -3.070
32 HB3 PRO 7 HB3 PRO 7 -3.984 -7.279 -2.406
33 HG2 PRO 7 HG2 PRO 7 -6.371 -6.311 -1.844
34 HG3 PRO 7 HG3 PRO 7 -5.408 -7.089 -0.574
35 HD2 PRO 7 HD2 PRO 7 -5.818 -4.165 -1.105
36 HD3 PRO 7 HD3 PRO 7 -5.871 -5.040 0.440
37 H CYS 8 H CYS 8 -3.604 -3.213 -2.197
38 HA CYS 8 HA CYS 8 -1.555 -3.181 -4.212
39 HB2 CYS 8 HB2 CYS 8 -3.795 -1.909 -4.289
40 HB3 CYS 8 HB3 CYS 8 -3.084 -0.795 -3.136
41 H ARG 9 H ARG 9 -2.051 -1.694 -1.050
42 HA ARG 9 HA ARG 9 0.252 -0.065 -0.821
43 HB2 ARG 9 HB2 ARG 9 -1.893 -0.216 0.545
44 HB3 ARG 9 HB3 ARG 9 -1.165 -1.565 1.329
45 HG2 ARG 9 HG2 ARG 9 0.683 -0.245 2.163
46 HG3 ARG 9 HG3 ARG 9 0.037 1.194 1.372
47 HD2 ARG 9 HD2 ARG 9 -0.564 1.151 3.754
48 HD3 ARG 9 HD3 ARG 9 -1.995 1.039 2.729
49 HE ARG 9 HE ARG 9 -0.894 -1.474 3.506
50 HH11 ARG 9 HH11 ARG 9 -3.193 1.055 4.510
51 HH12 ARG 9 HH12 ARG 9 -4.099 0.010 5.500
52 HH21 ARG 9 HH21 ARG 9 -2.169 -2.884 4.870
53 HH22 ARG 9 HH22 ARG 9 -3.505 -2.264 5.709
54 H ASN 10 H ASN 10 -0.427 -3.314 -0.060
55 HA ASN 10 HA ASN 10 1.889 -4.091 1.316
56 HB2 ASN 10 HB2 ASN 10 -0.104 -5.513 1.231
57 HB3 ASN 10 HB3 ASN 10 0.160 -5.809 -0.479
58 HD21 ASN 10 HD21 ASN 10 1.618 -7.367 -1.086
59 HD22 ASN 10 HD22 ASN 10 2.429 -8.396 0.023
60 H LYS 11 H LYS 11 1.581 -3.435 -2.047
61 HA LYS 11 HA LYS 11 4.015 -4.810 -2.746
62 HB2 LYS 11 HB2 LYS 11 2.176 -2.975 -4.253
63 HB3 LYS 11 HB3 LYS 11 3.525 -3.808 -4.951
64 HG2 LYS 11 HG2 LYS 11 2.459 -5.975 -4.346
65 HG3 LYS 11 HG3 LYS 11 1.068 -5.067 -3.749
66 HD2 LYS 11 HD2 LYS 11 0.765 -4.105 -5.982
67 HD3 LYS 11 HD3 LYS 11 2.121 -5.067 -6.567
68 HE2 LYS 11 HE2 LYS 11 0.058 -6.186 -7.152
69 HE3 LYS 11 HE3 LYS 11 0.905 -7.119 -5.924
70 HZ1 LYS 11 HZ1 LYS 11 -1.439 -6.996 -5.422
71 HZ2 LYS 11 HZ2 LYS 11 -1.428 -5.336 -5.487
72 HZ3 LYS 11 HZ3 LYS 11 -0.599 -6.129 -4.245
73 H HIS 12 H HIS 12 3.163 -1.987 -1.241
74 HA HIS 12 HA HIS 12 5.508 -0.526 -2.210
75 HB2 HIS 12 HB2 HIS 12 2.715 0.514 -1.785
76 HB3 HIS 12 HB3 HIS 12 4.079 1.562 -2.097
77 HD1 HIS 12 HD1 HIS 12 5.223 1.152 -4.574
78 HD2 HIS 12 HD2 HIS 12 1.499 -0.542 -3.912
79 HE1 HIS 12 HE1 HIS 12 4.333 0.488 -6.848
80 HA PRO 13 HA PRO 13 4.775 -0.563 2.560
81 HB2 PRO 13 HB2 PRO 13 7.038 -2.353 2.958
82 HB3 PRO 13 HB3 PRO 13 5.354 -2.593 3.433
83 HG2 PRO 13 HG2 PRO 13 6.561 -4.058 1.496
84 HG3 PRO 13 HG3 PRO 13 4.826 -3.695 1.497
85 HD2 PRO 13 HD2 PRO 13 7.034 -2.355 -0.027
86 HD3 PRO 13 HD3 PRO 13 5.423 -2.857 -0.592
87 H ASP 14 H ASP 14 7.371 -0.194 0.432
88 HA ASP 14 HA ASP 14 9.303 0.970 2.145
89 HB2 ASP 14 HB2 ASP 14 9.967 0.220 -0.060
90 HB3 ASP 14 HB3 ASP 14 8.833 1.337 -0.816
91 H LEU 15 H LEU 15 6.678 2.306 0.211
92 HA LEU 15 HA LEU 15 7.314 4.853 1.294
93 HB2 LEU 15 HB2 LEU 15 5.544 5.759 -0.262
94 HB3 LEU 15 HB3 LEU 15 6.925 5.018 -1.024
95 HG LEU 15 HG LEU 15 5.354 2.932 -1.192
96 HD11 LEU 15 HD11 LEU 15 3.536 3.781 0.143
97 HD12 LEU 15 HD12 LEU 15 3.010 3.501 -1.517
98 HD13 LEU 15 HD13 LEU 15 3.334 5.142 -0.959
99 HD21 LEU 15 HD21 LEU 15 6.260 4.136 -3.091
100 HD22 LEU 15 HD22 LEU 15 5.014 5.370 -2.920
101 HD23 LEU 15 HD23 LEU 15 4.568 3.725 -3.372
102 H CYS 16 H CYS 16 4.720 2.448 1.530
103 HA CYS 16 HA CYS 16 3.688 4.007 3.732
104 HB2 CYS 16 HB2 CYS 16 2.477 2.140 1.761
105 HB3 CYS 16 HB3 CYS 16 1.700 2.438 3.304
106 HN1 NH2 17 HN1 NH2 17 5.051 3.193 5.279
107 HN2 NH2 17 HN2 NH2 17 5.078 1.534 5.760
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -5.191 7.493 -4.101
2 H2 GLY 1 H2 GLY 1 -5.856 6.216 -3.202
3 H3 GLY 1 H3 GLY 1 -5.275 5.943 -4.761
4 HA2 GLY 1 HA2 GLY 1 -3.048 6.413 -4.074
5 HA3 GLY 1 HA3 GLY 1 -3.631 6.747 -2.454
6 H CYS 2 H CYS 2 -1.762 4.706 -3.549
7 HA CYS 2 HA CYS 2 -2.961 2.114 -3.558
8 HB2 CYS 2 HB2 CYS 2 -0.761 3.008 -4.512
9 HB3 CYS 2 HB3 CYS 2 -0.147 2.839 -2.909
10 H CYS 3 H CYS 3 -1.603 4.215 -1.307
11 HA CYS 3 HA CYS 3 -1.184 2.438 0.844
12 HB2 CYS 3 HB2 CYS 3 -0.185 4.693 0.766
13 HB3 CYS 3 HB3 CYS 3 -1.766 5.413 0.995
14 H SER 4 H SER 4 -4.133 3.791 -0.413
15 HA SER 4 HA SER 4 -5.586 2.994 1.978
16 HB2 SER 4 HB2 SER 4 -6.155 5.189 0.964
17 HB3 SER 4 HB3 SER 4 -6.590 4.368 -0.532
18 HG SER 4 HG SER 4 -8.086 3.147 0.857
19 H ASP 5 H ASP 5 -4.364 1.421 -0.583
20 HA ASP 5 HA ASP 5 -6.642 -0.413 -0.713
21 HB2 ASP 5 HB2 ASP 5 -6.253 0.625 -2.925
22 HB3 ASP 5 HB3 ASP 5 -4.566 0.123 -2.862
23 HA PRO 6 HA PRO 6 -3.463 -2.492 1.741
24 HB2 PRO 6 HB2 PRO 6 -5.652 -4.526 1.711
25 HB3 PRO 6 HB3 PRO 6 -4.645 -3.963 3.045
26 HG2 PRO 6 HG2 PRO 6 -7.128 -3.070 2.806
27 HG3 PRO 6 HG3 PRO 6 -5.818 -1.985 3.301
28 HD2 PRO 6 HD2 PRO 6 -7.191 -2.206 0.657
29 HD3 PRO 6 HD3 PRO 6 -6.584 -0.765 1.500
30 HA PRO 7 HA PRO 7 -3.417 -6.405 -1.270
31 HB2 PRO 7 HB2 PRO 7 -4.768 -5.095 -3.574
32 HB3 PRO 7 HB3 PRO 7 -4.747 -6.800 -3.103
33 HG2 PRO 7 HG2 PRO 7 -6.897 -5.355 -2.631
34 HG3 PRO 7 HG3 PRO 7 -6.296 -6.472 -1.390
35 HD2 PRO 7 HD2 PRO 7 -6.010 -3.504 -1.562
36 HD3 PRO 7 HD3 PRO 7 -6.358 -4.522 -0.151
37 H CYS 8 H CYS 8 -3.365 -3.079 -2.728
38 HA CYS 8 HA CYS 8 -0.895 -3.868 -4.017
39 HB2 CYS 8 HB2 CYS 8 -0.893 -1.804 -5.208
40 HB3 CYS 8 HB3 CYS 8 -2.565 -2.323 -5.181
41 H ARG 9 H ARG 9 -1.923 -2.025 -1.286
42 HA ARG 9 HA ARG 9 0.292 -0.489 -0.613
43 HB2 ARG 9 HB2 ARG 9 -1.977 -0.657 0.483
44 HB3 ARG 9 HB3 ARG 9 -1.363 -2.053 1.298
45 HG2 ARG 9 HG2 ARG 9 0.311 -0.898 2.437
46 HG3 ARG 9 HG3 ARG 9 0.057 0.545 1.462
47 HD2 ARG 9 HD2 ARG 9 -0.916 0.823 3.693
48 HD3 ARG 9 HD3 ARG 9 -2.145 0.864 2.442
49 HE ARG 9 HE ARG 9 -1.718 -1.676 3.778
50 HH11 ARG 9 HH11 ARG 9 -3.715 1.262 3.458
51 HH12 ARG 9 HH12 ARG 9 -4.971 0.680 4.443
52 HH21 ARG 9 HH21 ARG 9 -3.465 -2.446 5.155
53 HH22 ARG 9 HH22 ARG 9 -4.826 -1.470 5.445
54 H ASN 10 H ASN 10 -0.408 -3.755 0.206
55 HA ASN 10 HA ASN 10 1.915 -4.257 1.746
56 HB2 ASN 10 HB2 ASN 10 0.139 -6.213 0.292
57 HB3 ASN 10 HB3 ASN 10 1.552 -6.747 1.188
58 HD21 ASN 10 HD21 ASN 10 1.501 -6.677 3.448
59 HD22 ASN 10 HD22 ASN 10 0.040 -6.417 4.315
60 H LYS 11 H LYS 11 1.647 -3.963 -1.659
61 HA LYS 11 HA LYS 11 4.120 -5.336 -2.210
62 HB2 LYS 11 HB2 LYS 11 2.231 -3.725 -3.922
63 HB3 LYS 11 HB3 LYS 11 3.625 -4.564 -4.504
64 HG2 LYS 11 HG2 LYS 11 2.625 -6.721 -3.808
65 HG3 LYS 11 HG3 LYS 11 1.201 -5.845 -3.239
66 HD2 LYS 11 HD2 LYS 11 0.757 -5.060 -5.503
67 HD3 LYS 11 HD3 LYS 11 2.221 -5.856 -6.080
68 HE2 LYS 11 HE2 LYS 11 0.322 -7.240 -6.637
69 HE3 LYS 11 HE3 LYS 11 1.260 -8.025 -5.374
70 HZ1 LYS 11 HZ1 LYS 11 -0.376 -7.187 -3.749
71 HZ2 LYS 11 HZ2 LYS 11 -1.043 -8.216 -4.869
72 HZ3 LYS 11 HZ3 LYS 11 -1.295 -6.553 -5.008
73 H HIS 12 H HIS 12 3.198 -2.402 -0.949
74 HA HIS 12 HA HIS 12 5.504 -1.011 -2.108
75 HB2 HIS 12 HB2 HIS 12 2.707 0.033 -1.834
76 HB3 HIS 12 HB3 HIS 12 4.051 1.082 -2.204
77 HD1 HIS 12 HD1 HIS 12 5.273 0.452 -4.635
78 HD2 HIS 12 HD2 HIS 12 1.582 -1.224 -3.793
79 HE1 HIS 12 HE1 HIS 12 4.435 -0.526 -6.822
80 HA PRO 13 HA PRO 13 5.237 -0.594 2.586
81 HB2 PRO 13 HB2 PRO 13 7.943 -1.716 2.601
82 HB3 PRO 13 HB3 PRO 13 6.507 -2.281 3.457
83 HG2 PRO 13 HG2 PRO 13 7.573 -3.682 1.415
84 HG3 PRO 13 HG3 PRO 13 5.825 -3.624 1.701
85 HD2 PRO 13 HD2 PRO 13 7.465 -2.059 -0.250
86 HD3 PRO 13 HD3 PRO 13 5.930 -2.921 -0.510
87 H ASP 14 H ASP 14 7.352 0.165 0.081
88 HA ASP 14 HA ASP 14 9.311 1.772 1.201
89 HB2 ASP 14 HB2 ASP 14 9.454 1.110 -1.096
90 HB3 ASP 14 HB3 ASP 14 7.956 1.944 -1.487
91 H LEU 15 H LEU 15 6.205 2.754 -0.123
92 HA LEU 15 HA LEU 15 6.599 5.293 1.150
93 HB2 LEU 15 HB2 LEU 15 4.728 6.209 -0.142
94 HB3 LEU 15 HB3 LEU 15 5.977 5.546 -1.159
95 HG LEU 15 HG LEU 15 3.454 3.984 -0.571
96 HD11 LEU 15 HD11 LEU 15 3.935 5.970 -2.794
97 HD12 LEU 15 HD12 LEU 15 2.783 6.158 -1.472
98 HD13 LEU 15 HD13 LEU 15 2.556 4.880 -2.664
99 HD21 LEU 15 HD21 LEU 15 5.463 3.965 -2.821
100 HD22 LEU 15 HD22 LEU 15 3.976 3.040 -2.794
101 HD23 LEU 15 HD23 LEU 15 5.242 2.690 -1.614
102 H CYS 16 H CYS 16 4.445 2.535 1.261
103 HA CYS 16 HA CYS 16 3.344 3.680 3.678
104 HB2 CYS 16 HB2 CYS 16 1.749 4.276 1.929
105 HB3 CYS 16 HB3 CYS 16 1.661 2.603 1.401
106 HN1 NH2 17 HN1 NH2 17 2.353 0.778 1.884
107 HN2 NH2 17 HN2 NH2 17 2.924 -0.334 3.066
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -5.667 6.156 -0.572
2 H2 GLY 1 H2 GLY 1 -7.130 5.899 -1.337
3 H3 GLY 1 H3 GLY 1 -6.476 7.453 -1.294
4 HA2 GLY 1 HA2 GLY 1 -6.177 6.500 -3.469
5 HA3 GLY 1 HA3 GLY 1 -4.622 6.670 -2.650
6 H CYS 2 H CYS 2 -3.935 4.966 -4.181
7 HA CYS 2 HA CYS 2 -5.022 2.296 -3.888
8 HB2 CYS 2 HB2 CYS 2 -3.692 3.446 -5.869
9 HB3 CYS 2 HB3 CYS 2 -2.299 2.913 -4.971
10 H CYS 3 H CYS 3 -2.499 4.206 -2.726
11 HA CYS 3 HA CYS 3 -0.900 2.406 -1.278
12 HB2 CYS 3 HB2 CYS 3 -0.228 4.697 -1.848
13 HB3 CYS 3 HB3 CYS 3 -1.476 5.340 -0.793
14 H SER 4 H SER 4 -4.055 3.620 -0.653
15 HA SER 4 HA SER 4 -4.006 3.146 2.196
16 HB2 SER 4 HB2 SER 4 -6.310 3.939 0.456
17 HB3 SER 4 HB3 SER 4 -6.008 4.318 2.155
18 HG SER 4 HG SER 4 -4.190 5.551 1.440
19 H ASP 5 H ASP 5 -4.339 1.337 -0.583
20 HA ASP 5 HA ASP 5 -6.472 -0.368 0.475
21 HB2 ASP 5 HB2 ASP 5 -6.877 0.511 -1.794
22 HB3 ASP 5 HB3 ASP 5 -5.345 -0.159 -2.334
23 HA PRO 6 HA PRO 6 -3.267 -2.991 2.009
24 HB2 PRO 6 HB2 PRO 6 -5.316 -5.140 1.622
25 HB3 PRO 6 HB3 PRO 6 -4.335 -4.753 3.029
26 HG2 PRO 6 HG2 PRO 6 -6.901 -4.026 2.897
27 HG3 PRO 6 HG3 PRO 6 -5.679 -3.022 3.692
28 HD2 PRO 6 HD2 PRO 6 -7.044 -2.625 1.079
29 HD3 PRO 6 HD3 PRO 6 -6.409 -1.430 2.229
30 HA PRO 7 HA PRO 7 -2.660 -6.223 -1.553
31 HB2 PRO 7 HB2 PRO 7 -4.428 -5.190 -3.700
32 HB3 PRO 7 HB3 PRO 7 -4.107 -6.860 -3.223
33 HG2 PRO 7 HG2 PRO 7 -6.432 -5.732 -2.643
34 HG3 PRO 7 HG3 PRO 7 -5.624 -6.793 -1.474
35 HD2 PRO 7 HD2 PRO 7 -5.726 -3.799 -1.559
36 HD3 PRO 7 HD3 PRO 7 -5.952 -4.883 -0.173
37 H CYS 8 H CYS 8 -3.329 -2.869 -2.071
38 HA CYS 8 HA CYS 8 -1.148 -2.671 -4.008
39 HB2 CYS 8 HB2 CYS 8 -3.414 -1.735 -4.595
40 HB3 CYS 8 HB3 CYS 8 -3.235 -0.604 -3.267
41 H ARG 9 H ARG 9 -1.370 -2.781 -0.880
42 HA ARG 9 HA ARG 9 0.442 -0.505 -0.334
43 HB2 ARG 9 HB2 ARG 9 -1.785 -0.735 0.852
44 HB3 ARG 9 HB3 ARG 9 -1.129 -2.156 1.588
45 HG2 ARG 9 HG2 ARG 9 0.642 -0.971 2.644
46 HG3 ARG 9 HG3 ARG 9 0.157 0.512 1.818
47 HD2 ARG 9 HD2 ARG 9 -0.626 0.457 4.163
48 HD3 ARG 9 HD3 ARG 9 -1.952 0.546 3.007
49 HE ARG 9 HE ARG 9 -1.210 -2.102 3.874
50 HH11 ARG 9 HH11 ARG 9 -3.305 0.683 4.556
51 HH12 ARG 9 HH12 ARG 9 -4.527 -0.212 5.317
52 HH21 ARG 9 HH21 ARG 9 -2.919 -3.356 4.939
53 HH22 ARG 9 HH22 ARG 9 -4.300 -2.557 5.502
54 H ASN 10 H ASN 10 -0.291 -3.795 0.218
55 HA ASN 10 HA ASN 10 1.971 -4.700 1.606
56 HB2 ASN 10 HB2 ASN 10 -0.032 -6.074 1.310
57 HB3 ASN 10 HB3 ASN 10 0.275 -6.183 -0.414
58 HD21 ASN 10 HD21 ASN 10 1.164 -7.323 2.735
59 HD22 ASN 10 HD22 ASN 10 2.116 -8.654 2.184
60 H LYS 11 H LYS 11 1.593 -3.940 -1.718
61 HA LYS 11 HA LYS 11 4.104 -5.094 -2.538
62 HB2 LYS 11 HB2 LYS 11 1.995 -3.502 -3.961
63 HB3 LYS 11 HB3 LYS 11 3.396 -4.179 -4.713
64 HG2 LYS 11 HG2 LYS 11 1.178 -5.736 -3.380
65 HG3 LYS 11 HG3 LYS 11 1.449 -5.592 -5.117
66 HD2 LYS 11 HD2 LYS 11 3.627 -6.727 -4.847
67 HD3 LYS 11 HD3 LYS 11 3.310 -6.889 -3.122
68 HE2 LYS 11 HE2 LYS 11 2.802 -8.957 -4.260
69 HE3 LYS 11 HE3 LYS 11 1.330 -8.239 -3.619
70 HZ1 LYS 11 HZ1 LYS 11 1.031 -9.103 -5.851
71 HZ2 LYS 11 HZ2 LYS 11 2.220 -8.070 -6.456
72 HZ3 LYS 11 HZ3 LYS 11 0.796 -7.441 -5.835
73 H HIS 12 H HIS 12 3.309 -2.380 -0.856
74 HA HIS 12 HA HIS 12 5.456 -0.813 -2.086
75 HB2 HIS 12 HB2 HIS 12 2.646 0.211 -1.639
76 HB3 HIS 12 HB3 HIS 12 3.997 1.245 -2.056
77 HD1 HIS 12 HD1 HIS 12 5.088 0.645 -4.539
78 HD2 HIS 12 HD2 HIS 12 1.356 -0.903 -3.636
79 HE1 HIS 12 HE1 HIS 12 4.125 -0.120 -6.736
80 HA PRO 13 HA PRO 13 4.851 -0.701 2.624
81 HB2 PRO 13 HB2 PRO 13 7.296 -2.188 3.041
82 HB3 PRO 13 HB3 PRO 13 5.652 -2.628 3.505
83 HG2 PRO 13 HG2 PRO 13 7.074 -3.931 1.572
84 HG3 PRO 13 HG3 PRO 13 5.303 -3.849 1.594
85 HD2 PRO 13 HD2 PRO 13 7.271 -2.250 0.003
86 HD3 PRO 13 HD3 PRO 13 5.714 -2.946 -0.501
87 H ASP 14 H ASP 14 7.464 -0.035 0.524
88 HA ASP 14 HA ASP 14 9.126 1.283 2.410
89 HB2 ASP 14 HB2 ASP 14 10.049 0.565 0.252
90 HB3 ASP 14 HB3 ASP 14 9.024 1.734 -0.581
91 H LEU 15 H LEU 15 6.601 2.421 0.267
92 HA LEU 15 HA LEU 15 6.899 5.014 1.432
93 HB2 LEU 15 HB2 LEU 15 5.187 5.822 -0.215
94 HB3 LEU 15 HB3 LEU 15 6.670 5.235 -0.917
95 HG LEU 15 HG LEU 15 4.250 3.434 -0.807
96 HD11 LEU 15 HD11 LEU 15 3.502 5.565 -1.806
97 HD12 LEU 15 HD12 LEU 15 3.582 4.273 -2.998
98 HD13 LEU 15 HD13 LEU 15 4.853 5.494 -2.941
99 HD21 LEU 15 HD21 LEU 15 6.370 2.428 -1.507
100 HD22 LEU 15 HD22 LEU 15 6.602 3.727 -2.667
101 HD23 LEU 15 HD23 LEU 15 5.289 2.583 -2.895
102 H CYS 16 H CYS 16 4.366 2.518 1.024
103 HA CYS 16 HA CYS 16 2.579 3.985 2.689
104 HB2 CYS 16 HB2 CYS 16 2.375 1.291 1.363
105 HB3 CYS 16 HB3 CYS 16 1.084 2.249 2.085
106 HN1 NH2 17 HN1 NH2 17 3.442 3.859 4.716
107 HN2 NH2 17 HN2 NH2 17 3.709 2.388 5.589
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -6.190 6.488 -4.409
2 H2 GLY 1 H2 GLY 1 -4.551 6.825 -4.580
3 H3 GLY 1 H3 GLY 1 -5.573 7.956 -3.850
4 HA2 GLY 1 HA2 GLY 1 -4.271 6.796 -2.198
5 HA3 GLY 1 HA3 GLY 1 -5.999 6.474 -2.031
6 H CYS 2 H CYS 2 -2.991 5.204 -3.370
7 HA CYS 2 HA CYS 2 -4.189 2.623 -3.913
8 HB2 CYS 2 HB2 CYS 2 -2.238 3.944 -5.088
9 HB3 CYS 2 HB3 CYS 2 -1.267 3.136 -3.895
10 H CYS 3 H CYS 3 -2.145 4.150 -1.623
11 HA CYS 3 HA CYS 3 -1.366 1.805 -0.198
12 HB2 CYS 3 HB2 CYS 3 -0.055 3.895 -0.099
13 HB3 CYS 3 HB3 CYS 3 -1.376 4.689 0.738
14 H SER 4 H SER 4 -4.288 3.469 -0.329
15 HA SER 4 HA SER 4 -5.170 2.661 2.303
16 HB2 SER 4 HB2 SER 4 -5.894 4.818 1.206
17 HB3 SER 4 HB3 SER 4 -6.760 3.855 0.021
18 HG SER 4 HG SER 4 -8.265 4.283 1.497
19 H ASP 5 H ASP 5 -4.723 1.258 -0.646
20 HA ASP 5 HA ASP 5 -6.855 -0.719 -0.342
21 HB2 ASP 5 HB2 ASP 5 -6.806 0.235 -2.554
22 HB3 ASP 5 HB3 ASP 5 -5.062 0.064 -2.652
23 HA PRO 6 HA PRO 6 -3.587 -2.937 1.765
24 HB2 PRO 6 HB2 PRO 6 -5.463 -5.230 1.379
25 HB3 PRO 6 HB3 PRO 6 -4.649 -4.674 2.838
26 HG2 PRO 6 HG2 PRO 6 -7.243 -4.152 2.434
27 HG3 PRO 6 HG3 PRO 6 -6.175 -2.991 3.238
28 HD2 PRO 6 HD2 PRO 6 -7.276 -2.947 0.466
29 HD3 PRO 6 HD3 PRO 6 -6.923 -1.600 1.568
30 HA PRO 7 HA PRO 7 -2.829 -6.349 -1.706
31 HB2 PRO 7 HB2 PRO 7 -4.377 -5.065 -3.903
32 HB3 PRO 7 HB3 PRO 7 -4.096 -6.785 -3.590
33 HG2 PRO 7 HG2 PRO 7 -6.443 -5.753 -3.034
34 HG3 PRO 7 HG3 PRO 7 -5.669 -6.851 -1.874
35 HD2 PRO 7 HD2 PRO 7 -5.840 -3.865 -1.814
36 HD3 PRO 7 HD3 PRO 7 -6.096 -5.030 -0.500
37 H CYS 8 H CYS 8 -3.418 -2.986 -2.669
38 HA CYS 8 HA CYS 8 -1.031 -2.831 -4.205
39 HB2 CYS 8 HB2 CYS 8 -2.827 -1.292 -4.723
40 HB3 CYS 8 HB3 CYS 8 -2.811 -0.657 -3.081
41 H ARG 9 H ARG 9 -1.956 -1.633 -0.991
42 HA ARG 9 HA ARG 9 0.371 -0.284 -0.254
43 HB2 ARG 9 HB2 ARG 9 -1.831 -0.433 0.932
44 HB3 ARG 9 HB3 ARG 9 -1.328 -1.985 1.500
45 HG2 ARG 9 HG2 ARG 9 0.646 -1.071 2.556
46 HG3 ARG 9 HG3 ARG 9 0.150 0.544 2.063
47 HD2 ARG 9 HD2 ARG 9 -1.834 0.432 3.423
48 HD3 ARG 9 HD3 ARG 9 -1.540 -1.268 3.790
49 HE ARG 9 HE ARG 9 0.665 0.209 4.621
50 HH11 ARG 9 HH11 ARG 9 -2.750 -0.108 5.524
51 HH12 ARG 9 HH12 ARG 9 -2.478 0.147 7.182
52 HH21 ARG 9 HH21 ARG 9 1.034 0.588 6.870
53 HH22 ARG 9 HH22 ARG 9 -0.283 0.609 7.966
54 H ASN 10 H ASN 10 -0.498 -3.561 0.130
55 HA ASN 10 HA ASN 10 1.706 -4.484 1.607
56 HB2 ASN 10 HB2 ASN 10 -0.311 -5.849 1.361
57 HB3 ASN 10 HB3 ASN 10 0.028 -6.075 -0.348
58 HD21 ASN 10 HD21 ASN 10 1.453 -7.646 -0.955
59 HD22 ASN 10 HD22 ASN 10 2.221 -8.722 0.154
60 H LYS 11 H LYS 11 1.629 -3.671 -1.728
61 HA LYS 11 HA LYS 11 4.125 -5.032 -2.237
62 HB2 LYS 11 HB2 LYS 11 2.259 -3.416 -3.923
63 HB3 LYS 11 HB3 LYS 11 3.755 -4.094 -4.496
64 HG2 LYS 11 HG2 LYS 11 2.879 -6.355 -3.922
65 HG3 LYS 11 HG3 LYS 11 1.346 -5.590 -3.492
66 HD2 LYS 11 HD2 LYS 11 1.163 -4.702 -5.758
67 HD3 LYS 11 HD3 LYS 11 2.685 -5.487 -6.185
68 HE2 LYS 11 HE2 LYS 11 0.872 -6.840 -6.955
69 HE3 LYS 11 HE3 LYS 11 1.664 -7.653 -5.608
70 HZ1 LYS 11 HZ1 LYS 11 -0.688 -7.809 -5.375
71 HZ2 LYS 11 HZ2 LYS 11 -0.886 -6.152 -5.515
72 HZ3 LYS 11 HZ3 LYS 11 -0.128 -6.790 -4.152
73 H HIS 12 H HIS 12 3.098 -2.192 -0.867
74 HA HIS 12 HA HIS 12 5.434 -0.739 -1.878
75 HB2 HIS 12 HB2 HIS 12 2.648 0.361 -1.566
76 HB3 HIS 12 HB3 HIS 12 4.030 1.360 -1.939
77 HD1 HIS 12 HD1 HIS 12 5.046 0.973 -4.472
78 HD2 HIS 12 HD2 HIS 12 1.520 -0.962 -3.510
79 HE1 HIS 12 HE1 HIS 12 4.126 0.098 -6.654
80 HA PRO 13 HA PRO 13 4.608 -0.341 2.812
81 HB2 PRO 13 HB2 PRO 13 6.301 -2.082 3.944
82 HB3 PRO 13 HB3 PRO 13 4.764 -2.642 3.266
83 HG2 PRO 13 HG2 PRO 13 7.498 -2.748 2.056
84 HG3 PRO 13 HG3 PRO 13 6.255 -4.012 2.127
85 HD2 PRO 13 HD2 PRO 13 6.678 -2.408 -0.054
86 HD3 PRO 13 HD3 PRO 13 5.119 -3.161 0.328
87 H ASP 14 H ASP 14 7.133 -0.073 0.682
88 HA ASP 14 HA ASP 14 9.069 1.053 2.526
89 HB2 ASP 14 HB2 ASP 14 9.820 -0.329 0.612
90 HB3 ASP 14 HB3 ASP 14 9.173 0.872 -0.492
91 H LEU 15 H LEU 15 6.972 2.170 -0.133
92 HA LEU 15 HA LEU 15 7.776 4.826 0.495
93 HB2 LEU 15 HB2 LEU 15 6.417 5.577 -1.435
94 HB3 LEU 15 HB3 LEU 15 7.625 4.393 -1.848
95 HG LEU 15 HG LEU 15 5.700 2.682 -1.838
96 HD11 LEU 15 HD11 LEU 15 4.053 5.194 -1.995
97 HD12 LEU 15 HD12 LEU 15 4.016 3.997 -0.701
98 HD13 LEU 15 HD13 LEU 15 3.480 3.559 -2.322
99 HD21 LEU 15 HD21 LEU 15 5.749 4.871 -3.893
100 HD22 LEU 15 HD22 LEU 15 5.088 3.251 -4.123
101 HD23 LEU 15 HD23 LEU 15 6.816 3.473 -3.839
102 H CYS 16 H CYS 16 5.167 2.743 1.254
103 HA CYS 16 HA CYS 16 4.145 4.798 2.981
104 HB2 CYS 16 HB2 CYS 16 2.838 5.104 0.921
105 HB3 CYS 16 HB3 CYS 16 2.368 3.408 0.977
106 HN1 NH2 17 HN1 NH2 17 2.856 1.684 1.847
107 HN2 NH2 17 HN2 NH2 17 2.932 0.934 3.404
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -6.043 5.955 -5.754
2 H2 GLY 1 H2 GLY 1 -6.766 7.243 -4.919
3 H3 GLY 1 H3 GLY 1 -7.413 5.680 -4.809
4 HA2 GLY 1 HA2 GLY 1 -4.781 6.513 -3.794
5 HA3 GLY 1 HA3 GLY 1 -6.219 6.207 -2.824
6 H CYS 2 H CYS 2 -3.437 4.901 -4.011
7 HA CYS 2 HA CYS 2 -4.465 2.159 -4.166
8 HB2 CYS 2 HB2 CYS 2 -2.804 3.461 -5.766
9 HB3 CYS 2 HB3 CYS 2 -1.635 2.899 -4.608
10 H CYS 3 H CYS 3 -2.311 4.255 -2.429
11 HA CYS 3 HA CYS 3 -1.027 2.253 -0.863
12 HB2 CYS 3 HB2 CYS 3 -0.067 4.521 -1.255
13 HB3 CYS 3 HB3 CYS 3 -1.313 5.203 -0.221
14 H SER 4 H SER 4 -4.099 3.747 -0.610
15 HA SER 4 HA SER 4 -4.483 3.122 2.171
16 HB2 SER 4 HB2 SER 4 -6.394 4.071 0.053
17 HB3 SER 4 HB3 SER 4 -6.619 4.141 1.807
18 HG SER 4 HG SER 4 -4.530 5.377 1.690
19 H ASP 5 H ASP 5 -4.423 1.394 -0.626
20 HA ASP 5 HA ASP 5 -6.607 -0.446 0.036
21 HB2 ASP 5 HB2 ASP 5 -6.634 0.362 -2.247
22 HB3 ASP 5 HB3 ASP 5 -4.932 -0.019 -2.448
23 HA PRO 6 HA PRO 6 -3.240 -2.678 1.992
24 HB2 PRO 6 HB2 PRO 6 -5.231 -4.906 1.993
25 HB3 PRO 6 HB3 PRO 6 -4.243 -4.273 3.305
26 HG2 PRO 6 HG2 PRO 6 -6.838 -3.656 3.144
27 HG3 PRO 6 HG3 PRO 6 -5.639 -2.481 3.707
28 HD2 PRO 6 HD2 PRO 6 -7.029 -2.649 1.064
29 HD3 PRO 6 HD3 PRO 6 -6.546 -1.222 2.007
30 HA PRO 7 HA PRO 7 -2.907 -6.363 -1.255
31 HB2 PRO 7 HB2 PRO 7 -4.663 -5.225 -3.382
32 HB3 PRO 7 HB3 PRO 7 -4.367 -6.916 -2.958
33 HG2 PRO 7 HG2 PRO 7 -6.641 -5.793 -2.259
34 HG3 PRO 7 HG3 PRO 7 -5.778 -6.834 -1.113
35 HD2 PRO 7 HD2 PRO 7 -5.905 -3.846 -1.214
36 HD3 PRO 7 HD3 PRO 7 -6.019 -4.928 0.189
37 H CYS 8 H CYS 8 -3.605 -3.090 -2.475
38 HA CYS 8 HA CYS 8 -1.357 -3.061 -4.210
39 HB2 CYS 8 HB2 CYS 8 -3.220 -1.523 -4.596
40 HB3 CYS 8 HB3 CYS 8 -2.933 -0.759 -3.036
41 H ARG 9 H ARG 9 -1.973 -1.647 -1.054
42 HA ARG 9 HA ARG 9 0.319 -0.233 -0.453
43 HB2 ARG 9 HB2 ARG 9 -1.840 -0.509 0.791
44 HB3 ARG 9 HB3 ARG 9 -1.209 -2.013 1.365
45 HG2 ARG 9 HG2 ARG 9 0.756 -0.817 2.295
46 HG3 ARG 9 HG3 ARG 9 -0.102 0.680 1.905
47 HD2 ARG 9 HD2 ARG 9 -0.436 -0.009 4.237
48 HD3 ARG 9 HD3 ARG 9 -1.945 0.063 3.318
49 HE ARG 9 HE ARG 9 -0.842 -2.548 3.252
50 HH11 ARG 9 HH11 ARG 9 -2.461 -0.351 5.475
51 HH12 ARG 9 HH12 ARG 9 -3.259 -1.585 6.336
52 HH21 ARG 9 HH21 ARG 9 -1.890 -4.233 4.413
53 HH22 ARG 9 HH22 ARG 9 -2.927 -3.854 5.724
54 H ASN 10 H ASN 10 -0.384 -3.573 0.132
55 HA ASN 10 HA ASN 10 2.020 -4.117 1.495
56 HB2 ASN 10 HB2 ASN 10 0.015 -5.999 0.297
57 HB3 ASN 10 HB3 ASN 10 1.476 -6.579 1.085
58 HD21 ASN 10 HD21 ASN 10 0.499 -7.539 2.757
59 HD22 ASN 10 HD22 ASN 10 -0.390 -6.742 4.002
60 H LYS 11 H LYS 11 1.667 -3.630 -1.824
61 HA LYS 11 HA LYS 11 4.080 -5.119 -2.419
62 HB2 LYS 11 HB2 LYS 11 2.126 -3.550 -4.043
63 HB3 LYS 11 HB3 LYS 11 3.583 -4.185 -4.716
64 HG2 LYS 11 HG2 LYS 11 2.724 -6.488 -3.924
65 HG3 LYS 11 HG3 LYS 11 1.184 -5.667 -3.664
66 HD2 LYS 11 HD2 LYS 11 2.691 -5.840 -6.275
67 HD3 LYS 11 HD3 LYS 11 1.244 -6.752 -5.861
68 HE2 LYS 11 HE2 LYS 11 1.418 -3.740 -6.073
69 HE3 LYS 11 HE3 LYS 11 0.768 -4.812 -7.308
70 HZ1 LYS 11 HZ1 LYS 11 -0.361 -4.549 -4.558
71 HZ2 LYS 11 HZ2 LYS 11 -0.970 -5.478 -5.802
72 HZ3 LYS 11 HZ3 LYS 11 -0.965 -3.817 -5.959
73 H HIS 12 H HIS 12 3.295 -2.294 -1.016
74 HA HIS 12 HA HIS 12 5.526 -0.803 -2.211
75 HB2 HIS 12 HB2 HIS 12 2.740 0.210 -1.674
76 HB3 HIS 12 HB3 HIS 12 4.056 1.261 -2.132
77 HD1 HIS 12 HD1 HIS 12 5.011 0.740 -4.697
78 HD2 HIS 12 HD2 HIS 12 1.416 -0.993 -3.610
79 HE1 HIS 12 HE1 HIS 12 3.927 -0.029 -6.843
80 HA PRO 13 HA PRO 13 5.074 -0.593 2.567
81 HB2 PRO 13 HB2 PRO 13 7.359 -2.327 2.974
82 HB3 PRO 13 HB3 PRO 13 5.682 -2.608 3.448
83 HG2 PRO 13 HG2 PRO 13 6.963 -4.064 1.525
84 HG3 PRO 13 HG3 PRO 13 5.206 -3.802 1.564
85 HD2 PRO 13 HD2 PRO 13 7.297 -2.395 -0.054
86 HD3 PRO 13 HD3 PRO 13 5.700 -2.995 -0.558
87 H ASP 14 H ASP 14 6.995 0.319 0.280
88 HA ASP 14 HA ASP 14 9.329 1.320 1.629
89 HB2 ASP 14 HB2 ASP 14 9.277 0.813 -0.793
90 HB3 ASP 14 HB3 ASP 14 8.115 2.116 -1.021
91 H LEU 15 H LEU 15 6.323 2.634 0.408
92 HA LEU 15 HA LEU 15 6.859 5.012 1.939
93 HB2 LEU 15 HB2 LEU 15 5.495 6.345 0.432
94 HB3 LEU 15 HB3 LEU 15 6.772 5.538 -0.438
95 HG LEU 15 HG LEU 15 3.885 4.607 -0.448
96 HD11 LEU 15 HD11 LEU 15 4.034 6.826 -1.404
97 HD12 LEU 15 HD12 LEU 15 3.760 5.618 -2.664
98 HD13 LEU 15 HD13 LEU 15 5.367 6.306 -2.439
99 HD21 LEU 15 HD21 LEU 15 5.404 2.818 -1.102
100 HD22 LEU 15 HD22 LEU 15 6.252 3.908 -2.194
101 HD23 LEU 15 HD23 LEU 15 4.587 3.445 -2.531
102 H CYS 16 H CYS 16 4.725 2.360 1.514
103 HA CYS 16 HA CYS 16 2.692 3.618 3.077
104 HB2 CYS 16 HB2 CYS 16 2.848 1.004 1.617
105 HB3 CYS 16 HB3 CYS 16 1.461 1.639 2.492
106 HN1 NH2 17 HN1 NH2 17 3.347 3.539 5.162
107 HN2 NH2 17 HN2 NH2 17 3.865 2.125 5.996
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -6.882 3.794 -4.730
2 H2 GLY 1 H2 GLY 1 -7.554 5.261 -4.280
3 H3 GLY 1 H3 GLY 1 -7.549 3.949 -3.196
4 HA2 GLY 1 HA2 GLY 1 -5.176 5.375 -4.235
5 HA3 GLY 1 HA3 GLY 1 -5.822 5.522 -2.601
6 H CYS 2 H CYS 2 -3.272 4.413 -3.921
7 HA CYS 2 HA CYS 2 -3.202 1.610 -3.628
8 HB2 CYS 2 HB2 CYS 2 -1.537 3.090 -4.834
9 HB3 CYS 2 HB3 CYS 2 -0.894 3.469 -3.275
10 H CYS 3 H CYS 3 -2.076 4.152 -1.534
11 HA CYS 3 HA CYS 3 -1.313 2.330 0.536
12 HB2 CYS 3 HB2 CYS 3 -0.282 4.604 0.312
13 HB3 CYS 3 HB3 CYS 3 -1.792 5.297 0.897
14 H SER 4 H SER 4 -4.323 3.600 -0.340
15 HA SER 4 HA SER 4 -5.475 2.912 2.242
16 HB2 SER 4 HB2 SER 4 -6.167 5.055 1.219
17 HB3 SER 4 HB3 SER 4 -6.753 4.189 -0.200
18 HG SER 4 HG SER 4 -7.944 2.997 1.661
19 H ASP 5 H ASP 5 -4.464 1.224 -0.280
20 HA ASP 5 HA ASP 5 -6.691 -0.646 -0.132
21 HB2 ASP 5 HB2 ASP 5 -6.706 0.527 -2.326
22 HB3 ASP 5 HB3 ASP 5 -5.068 -0.047 -2.612
23 HA PRO 6 HA PRO 6 -3.293 -2.794 1.777
24 HB2 PRO 6 HB2 PRO 6 -5.296 -5.000 1.535
25 HB3 PRO 6 HB3 PRO 6 -4.296 -4.521 2.903
26 HG2 PRO 6 HG2 PRO 6 -6.871 -3.842 2.793
27 HG3 PRO 6 HG3 PRO 6 -5.652 -2.754 3.480
28 HD2 PRO 6 HD2 PRO 6 -7.078 -2.606 0.874
29 HD3 PRO 6 HD3 PRO 6 -6.471 -1.297 1.909
30 HA PRO 7 HA PRO 7 -2.851 -6.271 -1.627
31 HB2 PRO 7 HB2 PRO 7 -4.643 -5.293 -3.768
32 HB3 PRO 7 HB3 PRO 7 -4.356 -6.949 -3.222
33 HG2 PRO 7 HG2 PRO 7 -6.633 -5.741 -2.629
34 HG3 PRO 7 HG3 PRO 7 -5.807 -6.732 -1.411
35 HD2 PRO 7 HD2 PRO 7 -5.828 -3.752 -1.721
36 HD3 PRO 7 HD3 PRO 7 -6.057 -4.720 -0.252
37 H CYS 8 H CYS 8 -3.205 -2.907 -2.200
38 HA CYS 8 HA CYS 8 -1.150 -2.964 -4.290
39 HB2 CYS 8 HB2 CYS 8 -3.168 -1.419 -4.526
40 HB3 CYS 8 HB3 CYS 8 -2.571 -0.551 -3.122
41 H ARG 9 H ARG 9 -1.846 -1.668 -1.121
42 HA ARG 9 HA ARG 9 0.516 -0.256 -0.616
43 HB2 ARG 9 HB2 ARG 9 -1.740 -0.363 0.574
44 HB3 ARG 9 HB3 ARG 9 -1.071 -1.717 1.400
45 HG2 ARG 9 HG2 ARG 9 0.732 -0.508 2.342
46 HG3 ARG 9 HG3 ARG 9 0.316 0.933 1.418
47 HD2 ARG 9 HD2 ARG 9 -0.441 1.108 3.745
48 HD3 ARG 9 HD3 ARG 9 -1.783 1.128 2.608
49 HE ARG 9 HE ARG 9 -1.033 -1.387 3.867
50 HH11 ARG 9 HH11 ARG 9 -3.431 1.215 3.462
51 HH12 ARG 9 HH12 ARG 9 -4.611 0.478 4.418
52 HH21 ARG 9 HH21 ARG 9 -2.684 -2.398 5.212
53 HH22 ARG 9 HH22 ARG 9 -4.172 -1.614 5.438
54 H ASN 10 H ASN 10 -0.351 -3.547 0.045
55 HA ASN 10 HA ASN 10 2.032 -4.062 1.505
56 HB2 ASN 10 HB2 ASN 10 1.502 -6.376 1.661
57 HB3 ASN 10 HB3 ASN 10 -0.031 -5.529 1.697
58 HD21 ASN 10 HD21 ASN 10 2.019 -7.680 -0.063
59 HD22 ASN 10 HD22 ASN 10 0.824 -8.195 -1.199
60 H LYS 11 H LYS 11 1.721 -3.640 -1.827
61 HA LYS 11 HA LYS 11 4.148 -5.118 -2.400
62 HB2 LYS 11 HB2 LYS 11 2.157 -3.569 -4.039
63 HB3 LYS 11 HB3 LYS 11 3.738 -3.917 -4.658
64 HG2 LYS 11 HG2 LYS 11 2.134 -5.534 -5.505
65 HG3 LYS 11 HG3 LYS 11 3.291 -6.329 -4.444
66 HD2 LYS 11 HD2 LYS 11 1.666 -6.336 -2.645
67 HD3 LYS 11 HD3 LYS 11 0.519 -5.455 -3.653
68 HE2 LYS 11 HE2 LYS 11 -0.015 -7.832 -3.599
69 HE3 LYS 11 HE3 LYS 11 0.447 -7.321 -5.216
70 HZ1 LYS 11 HZ1 LYS 11 2.618 -8.295 -4.898
71 HZ2 LYS 11 HZ2 LYS 11 1.452 -9.456 -4.549
72 HZ3 LYS 11 HZ3 LYS 11 2.266 -8.700 -3.311
73 H HIS 12 H HIS 12 3.228 -2.231 -1.076
74 HA HIS 12 HA HIS 12 5.647 -0.831 -1.965
75 HB2 HIS 12 HB2 HIS 12 2.855 0.311 -1.861
76 HB3 HIS 12 HB3 HIS 12 4.277 1.253 -2.221
77 HD1 HIS 12 HD1 HIS 12 5.555 0.350 -4.616
78 HD2 HIS 12 HD2 HIS 12 1.604 -0.664 -3.899
79 HE1 HIS 12 HE1 HIS 12 4.655 -0.464 -6.805
80 HA PRO 13 HA PRO 13 4.443 -0.535 2.664
81 HB2 PRO 13 HB2 PRO 13 6.387 -2.008 3.828
82 HB3 PRO 13 HB3 PRO 13 4.875 -2.717 3.245
83 HG2 PRO 13 HG2 PRO 13 7.570 -2.690 1.972
84 HG3 PRO 13 HG3 PRO 13 6.384 -4.002 2.067
85 HD2 PRO 13 HD2 PRO 13 6.725 -2.440 -0.149
86 HD3 PRO 13 HD3 PRO 13 5.192 -3.224 0.272
87 H ASP 14 H ASP 14 7.462 -0.260 0.962
88 HA ASP 14 HA ASP 14 8.617 1.459 2.997
89 HB2 ASP 14 HB2 ASP 14 10.124 -0.064 1.853
90 HB3 ASP 14 HB3 ASP 14 9.663 0.584 0.291
91 H LEU 15 H LEU 15 6.555 1.757 0.369
92 HA LEU 15 HA LEU 15 7.267 4.419 -0.310
93 HB2 LEU 15 HB2 LEU 15 6.529 2.929 -2.048
94 HB3 LEU 15 HB3 LEU 15 5.132 2.485 -1.082
95 HG LEU 15 HG LEU 15 4.299 4.734 -1.303
96 HD11 LEU 15 HD11 LEU 15 6.481 5.042 -3.356
97 HD12 LEU 15 HD12 LEU 15 6.347 5.941 -1.838
98 HD13 LEU 15 HD13 LEU 15 5.156 6.179 -3.126
99 HD21 LEU 15 HD21 LEU 15 4.698 3.180 -3.845
100 HD22 LEU 15 HD22 LEU 15 3.560 4.510 -3.679
101 HD23 LEU 15 HD23 LEU 15 3.356 3.059 -2.699
102 H CYS 16 H CYS 16 4.588 2.573 1.139
103 HA CYS 16 HA CYS 16 4.033 4.797 2.882
104 HB2 CYS 16 HB2 CYS 16 2.567 5.058 0.830
105 HB3 CYS 16 HB3 CYS 16 1.815 3.529 1.270
106 HN1 NH2 17 HN1 NH2 17 2.624 1.650 1.921
107 HN2 NH2 17 HN2 NH2 17 2.674 0.991 3.514
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -6.316 7.453 -4.735
2 H2 GLY 1 H2 GLY 1 -7.022 5.935 -4.464
3 H3 GLY 1 H3 GLY 1 -5.825 6.098 -5.624
4 HA2 GLY 1 HA2 GLY 1 -4.209 6.597 -3.940
5 HA3 GLY 1 HA3 GLY 1 -5.476 6.485 -2.718
6 H CYS 2 H CYS 2 -3.035 4.821 -4.223
7 HA CYS 2 HA CYS 2 -4.324 2.239 -4.254
8 HB2 CYS 2 HB2 CYS 2 -2.368 3.346 -5.692
9 HB3 CYS 2 HB3 CYS 2 -1.406 2.574 -4.468
10 H CYS 3 H CYS 3 -2.178 4.122 -2.316
11 HA CYS 3 HA CYS 3 -1.348 2.041 -0.548
12 HB2 CYS 3 HB2 CYS 3 -0.070 4.155 -0.801
13 HB3 CYS 3 HB3 CYS 3 -1.385 5.031 -0.028
14 H SER 4 H SER 4 -4.304 3.636 -0.890
15 HA SER 4 HA SER 4 -5.159 3.346 1.833
16 HB2 SER 4 HB2 SER 4 -6.679 3.999 -0.693
17 HB3 SER 4 HB3 SER 4 -7.216 4.271 0.965
18 HG SER 4 HG SER 4 -6.462 6.149 0.411
19 H ASP 5 H ASP 5 -4.650 1.366 -0.781
20 HA ASP 5 HA ASP 5 -6.776 -0.513 -0.066
21 HB2 ASP 5 HB2 ASP 5 -6.875 0.098 -2.406
22 HB3 ASP 5 HB3 ASP 5 -5.150 -0.191 -2.599
23 HA PRO 6 HA PRO 6 -3.322 -2.476 2.070
24 HB2 PRO 6 HB2 PRO 6 -5.324 -4.683 2.264
25 HB3 PRO 6 HB3 PRO 6 -4.339 -3.933 3.519
26 HG2 PRO 6 HG2 PRO 6 -6.928 -3.352 3.319
27 HG3 PRO 6 HG3 PRO 6 -5.737 -2.118 3.758
28 HD2 PRO 6 HD2 PRO 6 -7.140 -2.549 1.153
29 HD3 PRO 6 HD3 PRO 6 -6.670 -1.034 1.954
30 HA PRO 7 HA PRO 7 -2.999 -6.382 -0.867
31 HB2 PRO 7 HB2 PRO 7 -4.672 -5.330 -3.103
32 HB3 PRO 7 HB3 PRO 7 -4.412 -7.004 -2.595
33 HG2 PRO 7 HG2 PRO 7 -6.685 -5.807 -2.008
34 HG3 PRO 7 HG3 PRO 7 -5.876 -6.820 -0.796
35 HD2 PRO 7 HD2 PRO 7 -5.969 -3.841 -1.014
36 HD3 PRO 7 HD3 PRO 7 -6.098 -4.870 0.426
37 H CYS 8 H CYS 8 -3.665 -3.218 -2.417
38 HA CYS 8 HA CYS 8 -1.378 -3.311 -4.080
39 HB2 CYS 8 HB2 CYS 8 -3.219 -1.804 -4.634
40 HB3 CYS 8 HB3 CYS 8 -2.975 -0.915 -3.133
41 H ARG 9 H ARG 9 -2.000 -1.770 -0.972
42 HA ARG 9 HA ARG 9 0.360 -0.380 -0.476
43 HB2 ARG 9 HB2 ARG 9 -1.881 -0.705 0.867
44 HB3 ARG 9 HB3 ARG 9 -1.014 -1.994 1.630
45 HG2 ARG 9 HG2 ARG 9 -0.004 0.828 1.615
46 HG3 ARG 9 HG3 ARG 9 -1.003 0.180 2.917
47 HD2 ARG 9 HD2 ARG 9 1.756 -0.734 2.072
48 HD3 ARG 9 HD3 ARG 9 1.352 0.148 3.539
49 HE ARG 9 HE ARG 9 -0.119 -2.194 3.565
50 HH11 ARG 9 HH11 ARG 9 3.277 -1.193 3.800
51 HH12 ARG 9 HH12 ARG 9 3.792 -2.643 4.531
52 HH21 ARG 9 HH21 ARG 9 0.584 -4.156 4.588
53 HH22 ARG 9 HH22 ARG 9 2.211 -4.380 5.015
54 H ASN 10 H ASN 10 -0.428 -3.693 0.071
55 HA ASN 10 HA ASN 10 1.893 -4.625 1.287
56 HB2 ASN 10 HB2 ASN 10 0.116 -6.098 -0.647
57 HB3 ASN 10 HB3 ASN 10 1.470 -6.868 0.161
58 HD21 ASN 10 HD21 ASN 10 1.110 -5.497 2.670
59 HD22 ASN 10 HD22 ASN 10 -0.295 -6.143 3.402
60 H LYS 11 H LYS 11 1.618 -3.703 -2.028
61 HA LYS 11 HA LYS 11 4.139 -4.934 -2.722
62 HB2 LYS 11 HB2 LYS 11 2.063 -3.394 -4.266
63 HB3 LYS 11 HB3 LYS 11 3.623 -3.710 -4.902
64 HG2 LYS 11 HG2 LYS 11 2.059 -5.379 -5.755
65 HG3 LYS 11 HG3 LYS 11 3.239 -6.164 -4.710
66 HD2 LYS 11 HD2 LYS 11 1.606 -6.134 -2.879
67 HD3 LYS 11 HD3 LYS 11 0.435 -5.362 -3.943
68 HE2 LYS 11 HE2 LYS 11 0.532 -7.332 -5.425
69 HE3 LYS 11 HE3 LYS 11 1.646 -8.099 -4.294
70 HZ1 LYS 11 HZ1 LYS 11 -0.689 -8.790 -3.996
71 HZ2 LYS 11 HZ2 LYS 11 -1.093 -7.208 -3.614
72 HZ3 LYS 11 HZ3 LYS 11 -0.034 -8.083 -2.613
73 H HIS 12 H HIS 12 3.140 -2.226 -1.165
74 HA HIS 12 HA HIS 12 5.392 -0.660 -2.184
75 HB2 HIS 12 HB2 HIS 12 2.641 0.403 -1.516
76 HB3 HIS 12 HB3 HIS 12 4.016 1.398 -1.955
77 HD1 HIS 12 HD1 HIS 12 4.801 1.188 -4.526
78 HD2 HIS 12 HD2 HIS 12 1.292 -0.761 -3.513
79 HE1 HIS 12 HE1 HIS 12 3.700 0.527 -6.709
80 HA PRO 13 HA PRO 13 5.288 -1.070 2.416
81 HB2 PRO 13 HB2 PRO 13 7.896 -2.247 2.376
82 HB3 PRO 13 HB3 PRO 13 6.361 -3.012 2.795
83 HG2 PRO 13 HG2 PRO 13 7.826 -3.669 0.569
84 HG3 PRO 13 HG3 PRO 13 6.067 -3.867 0.694
85 HD2 PRO 13 HD2 PRO 13 7.637 -1.654 -0.576
86 HD3 PRO 13 HD3 PRO 13 6.199 -2.512 -1.185
87 H ASP 14 H ASP 14 7.539 0.337 0.212
88 HA ASP 14 HA ASP 14 9.243 1.383 2.257
89 HB2 ASP 14 HB2 ASP 14 10.243 1.038 0.099
90 HB3 ASP 14 HB3 ASP 14 9.082 2.126 -0.661
91 H LEU 15 H LEU 15 6.779 2.880 0.190
92 HA LEU 15 HA LEU 15 7.098 5.215 1.813
93 HB2 LEU 15 HB2 LEU 15 5.694 6.458 0.336
94 HB3 LEU 15 HB3 LEU 15 6.788 5.513 -0.632
95 HG LEU 15 HG LEU 15 3.874 4.833 -0.177
96 HD11 LEU 15 HD11 LEU 15 3.551 5.604 -2.479
97 HD12 LEU 15 HD12 LEU 15 5.227 6.153 -2.519
98 HD13 LEU 15 HD13 LEU 15 4.080 6.896 -1.407
99 HD21 LEU 15 HD21 LEU 15 5.173 2.873 -0.739
100 HD22 LEU 15 HD22 LEU 15 5.919 3.735 -2.085
101 HD23 LEU 15 HD23 LEU 15 4.193 3.371 -2.125
102 H CYS 16 H CYS 16 5.093 2.452 1.801
103 HA CYS 16 HA CYS 16 3.367 3.715 3.716
104 HB2 CYS 16 HB2 CYS 16 2.846 1.622 1.639
105 HB3 CYS 16 HB3 CYS 16 1.735 2.114 2.902
106 HN1 NH2 17 HN1 NH2 17 4.574 2.985 5.480
107 HN2 NH2 17 HN2 NH2 17 4.817 1.317 5.853
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -7.871 5.407 -1.254
2 H2 GLY 1 H2 GLY 1 -7.464 7.018 -0.940
3 H3 GLY 1 H3 GLY 1 -6.634 5.763 -0.170
4 HA2 GLY 1 HA2 GLY 1 -6.608 6.275 -3.086
5 HA3 GLY 1 HA3 GLY 1 -5.307 6.674 -1.978
6 H CYS 2 H CYS 2 -3.963 5.246 -3.281
7 HA CYS 2 HA CYS 2 -4.695 2.474 -3.455
8 HB2 CYS 2 HB2 CYS 2 -3.193 4.151 -4.918
9 HB3 CYS 2 HB3 CYS 2 -1.949 3.423 -3.943
10 H CYS 3 H CYS 3 -2.770 4.572 -1.535
11 HA CYS 3 HA CYS 3 -1.360 2.551 -0.076
12 HB2 CYS 3 HB2 CYS 3 -0.565 4.928 -0.333
13 HB3 CYS 3 HB3 CYS 3 -1.872 5.455 0.703
14 H SER 4 H SER 4 -4.587 3.514 -0.090
15 HA SER 4 HA SER 4 -5.179 2.721 2.630
16 HB2 SER 4 HB2 SER 4 -7.062 3.442 0.404
17 HB3 SER 4 HB3 SER 4 -7.306 3.550 2.148
18 HG SER 4 HG SER 4 -5.451 5.073 2.016
19 H ASP 5 H ASP 5 -4.671 1.270 -0.412
20 HA ASP 5 HA ASP 5 -6.700 -0.759 0.085
21 HB2 ASP 5 HB2 ASP 5 -7.161 0.524 -1.938
22 HB3 ASP 5 HB3 ASP 5 -5.543 0.195 -2.538
23 HA PRO 6 HA PRO 6 -3.345 -3.343 1.278
24 HB2 PRO 6 HB2 PRO 6 -4.656 -5.733 0.402
25 HB3 PRO 6 HB3 PRO 6 -4.506 -5.097 2.040
26 HG2 PRO 6 HG2 PRO 6 -6.748 -4.862 0.136
27 HG3 PRO 6 HG3 PRO 6 -6.752 -4.774 1.899
28 HD2 PRO 6 HD2 PRO 6 -7.113 -2.620 0.326
29 HD3 PRO 6 HD3 PRO 6 -6.315 -2.501 1.908
30 HA PRO 7 HA PRO 7 -2.345 -5.813 -2.957
31 HB2 PRO 7 HB2 PRO 7 -3.753 -3.768 -4.627
32 HB3 PRO 7 HB3 PRO 7 -3.385 -5.454 -5.011
33 HG2 PRO 7 HG2 PRO 7 -5.802 -4.866 -4.263
34 HG3 PRO 7 HG3 PRO 7 -4.999 -6.261 -3.523
35 HD2 PRO 7 HD2 PRO 7 -5.467 -3.536 -2.381
36 HD3 PRO 7 HD3 PRO 7 -5.571 -5.125 -1.593
37 H CYS 8 H CYS 8 -2.782 -2.267 -2.988
38 HA CYS 8 HA CYS 8 -0.067 -2.160 -3.940
39 HB2 CYS 8 HB2 CYS 8 -0.621 0.211 -4.626
40 HB3 CYS 8 HB3 CYS 8 -1.389 -1.097 -5.514
41 H ARG 9 H ARG 9 -1.094 -2.402 -1.148
42 HA ARG 9 HA ARG 9 0.557 -0.245 0.014
43 HB2 ARG 9 HB2 ARG 9 -1.847 -0.311 0.662
44 HB3 ARG 9 HB3 ARG 9 -1.601 -1.927 1.218
45 HG2 ARG 9 HG2 ARG 9 0.075 -1.274 2.782
46 HG3 ARG 9 HG3 ARG 9 -0.124 0.407 2.315
47 HD2 ARG 9 HD2 ARG 9 -2.383 0.444 3.178
48 HD3 ARG 9 HD3 ARG 9 -2.334 -1.292 3.504
49 HE ARG 9 HE ARG 9 -0.210 -0.221 4.840
50 HH11 ARG 9 HH11 ARG 9 -3.700 0.316 5.028
51 HH12 ARG 9 HH12 ARG 9 -3.683 0.695 6.687
52 HH21 ARG 9 HH21 ARG 9 -0.186 0.253 7.062
53 HH22 ARG 9 HH22 ARG 9 -1.613 0.644 7.899
54 H ASN 10 H ASN 10 -0.568 -3.485 0.523
55 HA ASN 10 HA ASN 10 1.343 -4.279 2.435
56 HB2 ASN 10 HB2 ASN 10 -0.826 -5.363 2.271
57 HB3 ASN 10 HB3 ASN 10 -0.451 -5.922 0.651
58 HD21 ASN 10 HD21 ASN 10 0.258 -6.300 4.046
59 HD22 ASN 10 HD22 ASN 10 0.928 -7.887 3.910
60 H LYS 11 H LYS 11 1.425 -4.284 -0.987
61 HA LYS 11 HA LYS 11 3.836 -5.889 -1.069
62 HB2 LYS 11 HB2 LYS 11 1.914 -4.836 -3.129
63 HB3 LYS 11 HB3 LYS 11 3.510 -5.317 -3.570
64 HG2 LYS 11 HG2 LYS 11 1.870 -7.143 -3.937
65 HG3 LYS 11 HG3 LYS 11 3.152 -7.589 -2.820
66 HD2 LYS 11 HD2 LYS 11 1.579 -7.107 -0.939
67 HD3 LYS 11 HD3 LYS 11 0.312 -6.836 -2.136
68 HE2 LYS 11 HE2 LYS 11 0.491 -9.103 -2.924
69 HE3 LYS 11 HE3 LYS 11 1.896 -9.392 -1.902
70 HZ1 LYS 11 HZ1 LYS 11 -0.873 -8.872 -0.981
71 HZ2 LYS 11 HZ2 LYS 11 0.453 -9.050 0.042
72 HZ3 LYS 11 HZ3 LYS 11 -0.063 -10.345 -0.905
73 H HIS 12 H HIS 12 3.221 -2.811 -0.278
74 HA HIS 12 HA HIS 12 5.614 -1.769 -1.606
75 HB2 HIS 12 HB2 HIS 12 2.946 -0.393 -1.469
76 HB3 HIS 12 HB3 HIS 12 4.369 0.395 -2.078
77 HD1 HIS 12 HD1 HIS 12 5.280 -0.731 -4.471
78 HD2 HIS 12 HD2 HIS 12 1.598 -1.879 -3.017
79 HE1 HIS 12 HE1 HIS 12 4.136 -1.945 -6.384
80 HA PRO 13 HA PRO 13 5.280 -0.808 2.863
81 HB2 PRO 13 HB2 PRO 13 7.671 -1.762 3.670
82 HB3 PRO 13 HB3 PRO 13 6.264 -2.808 3.453
83 HG2 PRO 13 HG2 PRO 13 8.636 -2.451 1.699
84 HG3 PRO 13 HG3 PRO 13 7.676 -3.903 2.013
85 HD2 PRO 13 HD2 PRO 13 7.464 -2.261 -0.234
86 HD3 PRO 13 HD3 PRO 13 6.252 -3.440 0.297
87 H ASP 14 H ASP 14 7.688 -0.030 0.508
88 HA ASP 14 HA ASP 14 8.999 1.828 2.267
89 HB2 ASP 14 HB2 ASP 14 10.322 0.675 0.573
90 HB3 ASP 14 HB3 ASP 14 9.368 1.406 -0.702
91 H LEU 15 H LEU 15 6.796 2.098 -0.505
92 HA LEU 15 HA LEU 15 6.831 4.926 -0.126
93 HB2 LEU 15 HB2 LEU 15 5.421 5.092 -2.154
94 HB3 LEU 15 HB3 LEU 15 6.919 4.242 -2.418
95 HG LEU 15 HG LEU 15 5.473 2.098 -2.170
96 HD11 LEU 15 HD11 LEU 15 3.303 4.071 -2.818
97 HD12 LEU 15 HD12 LEU 15 3.459 3.120 -1.340
98 HD13 LEU 15 HD13 LEU 15 3.162 2.312 -2.880
99 HD21 LEU 15 HD21 LEU 15 5.213 3.887 -4.576
100 HD22 LEU 15 HD22 LEU 15 4.906 2.150 -4.551
101 HD23 LEU 15 HD23 LEU 15 6.531 2.761 -4.240
102 H CYS 16 H CYS 16 4.979 2.347 1.006
103 HA CYS 16 HA CYS 16 3.016 4.247 1.973
104 HB2 CYS 16 HB2 CYS 16 1.932 3.128 0.097
105 HB3 CYS 16 HB3 CYS 16 2.360 1.551 0.752
106 HN1 NH2 17 HN1 NH2 17 3.396 0.738 2.299
107 HN2 NH2 17 HN2 NH2 17 3.671 0.788 4.007
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -6.967 7.006 -2.742
2 H2 GLY 1 H2 GLY 1 -7.193 5.458 -2.109
3 H3 GLY 1 H3 GLY 1 -7.196 5.687 -3.784
4 HA2 GLY 1 HA2 GLY 1 -4.889 6.284 -3.736
5 HA3 GLY 1 HA3 GLY 1 -4.903 6.057 -1.988
6 H CYS 2 H CYS 2 -3.521 4.656 -4.297
7 HA CYS 2 HA CYS 2 -4.668 1.998 -4.302
8 HB2 CYS 2 HB2 CYS 2 -3.190 3.133 -6.148
9 HB3 CYS 2 HB3 CYS 2 -1.857 2.678 -5.121
10 H CYS 3 H CYS 3 -1.839 3.588 -3.033
11 HA CYS 3 HA CYS 3 -0.791 1.345 -1.627
12 HB2 CYS 3 HB2 CYS 3 0.497 3.380 -2.459
13 HB3 CYS 3 HB3 CYS 3 -0.182 4.260 -1.098
14 H SER 4 H SER 4 -3.302 3.518 -0.985
15 HA SER 4 HA SER 4 -3.177 3.311 1.868
16 HB2 SER 4 HB2 SER 4 -5.310 4.420 0.076
17 HB3 SER 4 HB3 SER 4 -5.009 4.802 1.778
18 HG SER 4 HG SER 4 -2.836 5.429 0.927
19 H ASP 5 H ASP 5 -4.141 1.308 -0.624
20 HA ASP 5 HA ASP 5 -6.240 0.042 0.993
21 HB2 ASP 5 HB2 ASP 5 -6.994 0.885 -1.235
22 HB3 ASP 5 HB3 ASP 5 -5.798 -0.151 -2.001
23 HA PRO 6 HA PRO 6 -3.170 -2.858 2.159
24 HB2 PRO 6 HB2 PRO 6 -5.430 -4.813 2.048
25 HB3 PRO 6 HB3 PRO 6 -4.211 -4.541 3.287
26 HG2 PRO 6 HG2 PRO 6 -6.667 -3.528 3.530
27 HG3 PRO 6 HG3 PRO 6 -5.230 -2.682 4.123
28 HD2 PRO 6 HD2 PRO 6 -6.939 -2.067 1.778
29 HD3 PRO 6 HD3 PRO 6 -5.933 -0.991 2.768
30 HA PRO 7 HA PRO 7 -3.258 -6.318 -1.299
31 HB2 PRO 7 HB2 PRO 7 -5.010 -5.017 -3.322
32 HB3 PRO 7 HB3 PRO 7 -4.842 -6.728 -2.922
33 HG2 PRO 7 HG2 PRO 7 -6.979 -5.402 -2.124
34 HG3 PRO 7 HG3 PRO 7 -6.186 -6.548 -1.026
35 HD2 PRO 7 HD2 PRO 7 -6.022 -3.559 -1.081
36 HD3 PRO 7 HD3 PRO 7 -6.202 -4.645 0.309
37 H CYS 8 H CYS 8 -3.536 -2.908 -2.096
38 HA CYS 8 HA CYS 8 -1.386 -3.176 -4.040
39 HB2 CYS 8 HB2 CYS 8 -3.326 -1.748 -4.596
40 HB3 CYS 8 HB3 CYS 8 -2.966 -0.731 -3.209
41 H ARG 9 H ARG 9 -2.087 -1.851 -0.902
42 HA ARG 9 HA ARG 9 0.231 -0.378 -0.263
43 HB2 ARG 9 HB2 ARG 9 -1.945 -0.713 1.017
44 HB3 ARG 9 HB3 ARG 9 -1.269 -2.220 1.537
45 HG2 ARG 9 HG2 ARG 9 0.566 -1.193 2.643
46 HG3 ARG 9 HG3 ARG 9 0.084 0.389 2.030
47 HD2 ARG 9 HD2 ARG 9 -0.595 0.132 4.363
48 HD3 ARG 9 HD3 ARG 9 -2.007 0.259 3.312
49 HE ARG 9 HE ARG 9 -1.211 -2.434 3.839
50 HH11 ARG 9 HH11 ARG 9 -3.139 0.269 5.088
51 HH12 ARG 9 HH12 ARG 9 -4.072 -0.698 6.123
52 HH21 ARG 9 HH21 ARG 9 -2.536 -3.755 5.265
53 HH22 ARG 9 HH22 ARG 9 -3.750 -3.028 6.203
54 H ASN 10 H ASN 10 -0.524 -3.690 -0.049
55 HA ASN 10 HA ASN 10 1.708 -4.773 1.220
56 HB2 ASN 10 HB2 ASN 10 -0.299 -6.088 0.721
57 HB3 ASN 10 HB3 ASN 10 0.063 -6.009 -0.996
58 HD21 ASN 10 HD21 ASN 10 0.881 -7.433 2.031
59 HD22 ASN 10 HD22 ASN 10 1.890 -8.685 1.412
60 H LYS 11 H LYS 11 1.413 -3.647 -2.028
61 HA LYS 11 HA LYS 11 3.912 -4.792 -2.885
62 HB2 LYS 11 HB2 LYS 11 1.913 -2.965 -4.198
63 HB3 LYS 11 HB3 LYS 11 3.353 -3.575 -4.943
64 HG2 LYS 11 HG2 LYS 11 2.528 -5.864 -4.793
65 HG3 LYS 11 HG3 LYS 11 1.100 -5.302 -3.923
66 HD2 LYS 11 HD2 LYS 11 0.609 -5.726 -6.297
67 HD3 LYS 11 HD3 LYS 11 0.388 -4.028 -5.881
68 HE2 LYS 11 HE2 LYS 11 2.589 -3.514 -6.844
69 HE3 LYS 11 HE3 LYS 11 2.808 -5.218 -7.239
70 HZ1 LYS 11 HZ1 LYS 11 0.966 -5.084 -8.763
71 HZ2 LYS 11 HZ2 LYS 11 2.071 -3.871 -9.118
72 HZ3 LYS 11 HZ3 LYS 11 0.644 -3.489 -8.301
73 H HIS 12 H HIS 12 3.053 -2.191 -0.987
74 HA HIS 12 HA HIS 12 5.278 -0.597 -2.031
75 HB2 HIS 12 HB2 HIS 12 2.523 0.456 -1.469
76 HB3 HIS 12 HB3 HIS 12 3.878 1.507 -1.763
77 HD1 HIS 12 HD1 HIS 12 4.876 1.306 -4.360
78 HD2 HIS 12 HD2 HIS 12 1.241 -0.513 -3.547
79 HE1 HIS 12 HE1 HIS 12 3.853 0.779 -6.601
80 HA PRO 13 HA PRO 13 5.312 -0.728 2.627
81 HB2 PRO 13 HB2 PRO 13 7.653 -1.994 3.015
82 HB3 PRO 13 HB3 PRO 13 6.161 -2.890 2.707
83 HG2 PRO 13 HG2 PRO 13 8.390 -2.233 0.830
84 HG3 PRO 13 HG3 PRO 13 7.476 -3.741 0.996
85 HD2 PRO 13 HD2 PRO 13 6.986 -1.844 -0.932
86 HD3 PRO 13 HD3 PRO 13 5.770 -2.989 -0.338
87 H ASP 14 H ASP 14 7.188 0.420 0.122
88 HA ASP 14 HA ASP 14 9.295 1.781 1.402
89 HB2 ASP 14 HB2 ASP 14 9.253 1.468 -1.018
90 HB3 ASP 14 HB3 ASP 14 7.829 2.492 -1.147
91 H LEU 15 H LEU 15 6.017 2.808 0.632
92 HA LEU 15 HA LEU 15 6.528 5.100 2.282
93 HB2 LEU 15 HB2 LEU 15 4.740 6.359 1.153
94 HB3 LEU 15 HB3 LEU 15 6.033 5.902 0.078
95 HG LEU 15 HG LEU 15 3.413 4.395 0.179
96 HD11 LEU 15 HD11 LEU 15 2.961 6.733 -0.320
97 HD12 LEU 15 HD12 LEU 15 2.739 5.733 -1.755
98 HD13 LEU 15 HD13 LEU 15 4.194 6.717 -1.580
99 HD21 LEU 15 HD21 LEU 15 4.052 3.741 -2.099
100 HD22 LEU 15 HD22 LEU 15 5.265 3.221 -0.937
101 HD23 LEU 15 HD23 LEU 15 5.556 4.643 -1.940
102 H CYS 16 H CYS 16 4.086 2.541 1.643
103 HA CYS 16 HA CYS 16 2.724 3.438 4.001
104 HB2 CYS 16 HB2 CYS 16 2.004 1.400 1.918
105 HB3 CYS 16 HB3 CYS 16 0.976 2.030 3.196
106 HN1 NH2 17 HN1 NH2 17 3.223 0.207 2.594
107 HN2 NH2 17 HN2 NH2 17 3.844 -0.506 4.033
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -7.222 4.527 -4.078
2 H2 GLY 1 H2 GLY 1 -6.345 4.396 -5.510
3 H3 GLY 1 H3 GLY 1 -6.935 5.915 -5.006
4 HA2 GLY 1 HA2 GLY 1 -4.608 5.757 -4.544
5 HA3 GLY 1 HA3 GLY 1 -5.532 5.778 -3.045
6 H CYS 2 H CYS 2 -2.992 4.432 -4.402
7 HA CYS 2 HA CYS 2 -3.296 1.637 -4.123
8 HB2 CYS 2 HB2 CYS 2 -1.534 2.854 -5.417
9 HB3 CYS 2 HB3 CYS 2 -0.811 3.255 -3.897
10 H CYS 3 H CYS 3 -1.768 4.029 -2.115
11 HA CYS 3 HA CYS 3 -1.009 2.159 -0.103
12 HB2 CYS 3 HB2 CYS 3 0.105 4.404 -0.537
13 HB3 CYS 3 HB3 CYS 3 -1.226 5.142 0.344
14 H SER 4 H SER 4 -3.961 3.686 -0.742
15 HA SER 4 HA SER 4 -4.989 3.376 1.953
16 HB2 SER 4 HB2 SER 4 -5.633 5.304 0.487
17 HB3 SER 4 HB3 SER 4 -6.406 4.170 -0.613
18 HG SER 4 HG SER 4 -7.857 5.162 0.815
19 H ASP 5 H ASP 5 -4.429 1.425 -0.689
20 HA ASP 5 HA ASP 5 -6.635 -0.409 -0.073
21 HB2 ASP 5 HB2 ASP 5 -6.666 0.347 -2.393
22 HB3 ASP 5 HB3 ASP 5 -4.973 -0.088 -2.583
23 HA PRO 6 HA PRO 6 -3.263 -2.503 1.995
24 HB2 PRO 6 HB2 PRO 6 -5.239 -4.732 2.113
25 HB3 PRO 6 HB3 PRO 6 -4.267 -4.008 3.395
26 HG2 PRO 6 HG2 PRO 6 -6.861 -3.443 3.176
27 HG3 PRO 6 HG3 PRO 6 -5.685 -2.211 3.668
28 HD2 PRO 6 HD2 PRO 6 -7.029 -2.599 1.024
29 HD3 PRO 6 HD3 PRO 6 -6.614 -1.093 1.868
30 HA PRO 7 HA PRO 7 -2.958 -6.327 -1.103
31 HB2 PRO 7 HB2 PRO 7 -4.618 -5.178 -3.287
32 HB3 PRO 7 HB3 PRO 7 -4.389 -6.870 -2.823
33 HG2 PRO 7 HG2 PRO 7 -6.636 -5.621 -2.232
34 HG3 PRO 7 HG3 PRO 7 -5.880 -6.717 -1.059
35 HD2 PRO 7 HD2 PRO 7 -5.902 -3.733 -1.132
36 HD3 PRO 7 HD3 PRO 7 -6.043 -4.827 0.257
37 H CYS 8 H CYS 8 -3.586 -3.090 -2.475
38 HA CYS 8 HA CYS 8 -1.370 -3.150 -4.259
39 HB2 CYS 8 HB2 CYS 8 -3.463 -1.621 -4.361
40 HB3 CYS 8 HB3 CYS 8 -2.656 -0.642 -3.151
41 H ARG 9 H ARG 9 -1.927 -1.672 -1.082
42 HA ARG 9 HA ARG 9 0.493 -0.364 -0.577
43 HB2 ARG 9 HB2 ARG 9 -1.617 -0.399 0.779
44 HB3 ARG 9 HB3 ARG 9 -1.126 -1.959 1.348
45 HG2 ARG 9 HG2 ARG 9 1.003 -1.031 2.149
46 HG3 ARG 9 HG3 ARG 9 0.390 0.575 1.777
47 HD2 ARG 9 HD2 ARG 9 -0.917 -1.378 3.674
48 HD3 ARG 9 HD3 ARG 9 0.106 -0.031 4.165
49 HE ARG 9 HE ARG 9 -1.688 1.296 2.830
50 HH11 ARG 9 HH11 ARG 9 -2.326 -1.479 4.926
51 HH12 ARG 9 HH12 ARG 9 -3.804 -0.857 5.496
52 HH21 ARG 9 HH21 ARG 9 -3.653 2.111 3.597
53 HH22 ARG 9 HH22 ARG 9 -4.603 1.254 4.729
54 H ASN 10 H ASN 10 -0.482 -3.582 -0.057
55 HA ASN 10 HA ASN 10 1.666 -4.662 1.343
56 HB2 ASN 10 HB2 ASN 10 -0.438 -5.901 0.946
57 HB3 ASN 10 HB3 ASN 10 -0.003 -6.065 -0.742
58 HD21 ASN 10 HD21 ASN 10 0.743 -7.065 2.502
59 HD22 ASN 10 HD22 ASN 10 1.649 -8.465 2.063
60 H LYS 11 H LYS 11 1.516 -3.862 -2.006
61 HA LYS 11 HA LYS 11 3.981 -5.237 -2.613
62 HB2 LYS 11 HB2 LYS 11 2.045 -3.611 -4.246
63 HB3 LYS 11 HB3 LYS 11 3.502 -4.319 -4.859
64 HG2 LYS 11 HG2 LYS 11 2.710 -6.558 -4.345
65 HG3 LYS 11 HG3 LYS 11 1.262 -5.879 -3.604
66 HD2 LYS 11 HD2 LYS 11 0.509 -5.030 -5.717
67 HD3 LYS 11 HD3 LYS 11 2.019 -5.502 -6.496
68 HE2 LYS 11 HE2 LYS 11 0.023 -7.396 -5.246
69 HE3 LYS 11 HE3 LYS 11 0.188 -7.083 -6.970
70 HZ1 LYS 11 HZ1 LYS 11 2.420 -7.966 -6.904
71 HZ2 LYS 11 HZ2 LYS 11 1.346 -9.106 -6.322
72 HZ3 LYS 11 HZ3 LYS 11 2.332 -8.263 -5.249
73 H HIS 12 H HIS 12 3.211 -2.445 -1.074
74 HA HIS 12 HA HIS 12 5.530 -1.018 -2.124
75 HB2 HIS 12 HB2 HIS 12 2.782 0.196 -1.880
76 HB3 HIS 12 HB3 HIS 12 4.224 1.110 -2.252
77 HD1 HIS 12 HD1 HIS 12 5.327 0.473 -4.684
78 HD2 HIS 12 HD2 HIS 12 1.551 -0.991 -3.862
79 HE1 HIS 12 HE1 HIS 12 4.365 -0.257 -6.909
80 HA PRO 13 HA PRO 13 5.019 -0.683 2.527
81 HB2 PRO 13 HB2 PRO 13 7.639 -1.961 2.766
82 HB3 PRO 13 HB3 PRO 13 6.089 -2.503 3.415
83 HG2 PRO 13 HG2 PRO 13 7.349 -3.831 1.420
84 HG3 PRO 13 HG3 PRO 13 5.579 -3.749 1.567
85 HD2 PRO 13 HD2 PRO 13 7.401 -2.131 -0.177
86 HD3 PRO 13 HD3 PRO 13 5.883 -2.959 -0.599
87 H ASP 14 H ASP 14 7.082 0.154 0.127
88 HA ASP 14 HA ASP 14 9.188 1.616 1.218
89 HB2 ASP 14 HB2 ASP 14 9.157 1.112 -1.115
90 HB3 ASP 14 HB3 ASP 14 7.653 1.993 -1.348
91 H LEU 15 H LEU 15 5.990 2.762 0.245
92 HA LEU 15 HA LEU 15 6.651 5.228 1.562
93 HB2 LEU 15 HB2 LEU 15 4.945 6.412 0.337
94 HB3 LEU 15 HB3 LEU 15 5.945 5.516 -0.775
95 HG LEU 15 HG LEU 15 3.176 4.642 0.092
96 HD11 LEU 15 HD11 LEU 15 4.031 6.071 -2.417
97 HD12 LEU 15 HD12 LEU 15 3.075 6.758 -1.104
98 HD13 LEU 15 HD13 LEU 15 2.420 5.443 -2.080
99 HD21 LEU 15 HD21 LEU 15 3.297 3.236 -1.940
100 HD22 LEU 15 HD22 LEU 15 4.464 2.778 -0.718
101 HD23 LEU 15 HD23 LEU 15 4.990 3.696 -2.135
102 H CYS 16 H CYS 16 4.634 2.486 1.866
103 HA CYS 16 HA CYS 16 2.975 3.781 3.830
104 HB2 CYS 16 HB2 CYS 16 2.842 1.048 2.599
105 HB3 CYS 16 HB3 CYS 16 1.598 1.894 3.504
106 HN1 NH2 17 HN1 NH2 17 4.706 3.813 5.418
107 HN2 NH2 17 HN2 NH2 17 5.258 2.365 6.180
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -6.782 5.264 -4.301
2 H2 GLY 1 H2 GLY 1 -7.204 6.616 -3.342
3 H3 GLY 1 H3 GLY 1 -7.310 5.044 -2.736
4 HA2 GLY 1 HA2 GLY 1 -4.785 6.293 -3.519
5 HA3 GLY 1 HA3 GLY 1 -5.423 6.194 -1.874
6 H CYS 2 H CYS 2 -3.290 4.802 -3.849
7 HA CYS 2 HA CYS 2 -3.723 2.029 -3.729
8 HB2 CYS 2 HB2 CYS 2 -2.010 3.378 -5.025
9 HB3 CYS 2 HB3 CYS 2 -1.102 3.426 -3.563
10 H CYS 3 H CYS 3 -2.090 4.211 -1.615
11 HA CYS 3 HA CYS 3 -1.130 2.247 0.208
12 HB2 CYS 3 HB2 CYS 3 -0.174 4.513 0.113
13 HB3 CYS 3 HB3 CYS 3 -1.676 5.150 0.770
14 H SER 4 H SER 4 -4.271 3.470 -0.232
15 HA SER 4 HA SER 4 -5.093 2.679 2.436
16 HB2 SER 4 HB2 SER 4 -5.906 4.824 1.389
17 HB3 SER 4 HB3 SER 4 -6.738 3.866 0.181
18 HG SER 4 HG SER 4 -7.155 3.707 2.985
19 H ASP 5 H ASP 5 -4.548 1.307 -0.530
20 HA ASP 5 HA ASP 5 -6.743 -0.613 -0.393
21 HB2 ASP 5 HB2 ASP 5 -6.504 0.463 -2.571
22 HB3 ASP 5 HB3 ASP 5 -4.790 0.110 -2.590
23 HA PRO 6 HA PRO 6 -3.596 -3.021 1.775
24 HB2 PRO 6 HB2 PRO 6 -5.584 -5.192 1.295
25 HB3 PRO 6 HB3 PRO 6 -4.745 -4.738 2.776
26 HG2 PRO 6 HG2 PRO 6 -7.309 -4.059 2.368
27 HG3 PRO 6 HG3 PRO 6 -6.189 -3.004 3.242
28 HD2 PRO 6 HD2 PRO 6 -7.268 -2.744 0.473
29 HD3 PRO 6 HD3 PRO 6 -6.800 -1.479 1.630
30 HA PRO 7 HA PRO 7 -3.100 -6.451 -1.746
31 HB2 PRO 7 HB2 PRO 7 -4.382 -4.908 -3.951
32 HB3 PRO 7 HB3 PRO 7 -4.284 -6.656 -3.719
33 HG2 PRO 7 HG2 PRO 7 -6.545 -5.403 -3.207
34 HG3 PRO 7 HG3 PRO 7 -5.956 -6.668 -2.112
35 HD2 PRO 7 HD2 PRO 7 -5.865 -3.698 -1.780
36 HD3 PRO 7 HD3 PRO 7 -6.211 -4.959 -0.583
37 H CYS 8 H CYS 8 -3.255 -3.026 -2.902
38 HA CYS 8 HA CYS 8 -0.634 -3.541 -3.971
39 HB2 CYS 8 HB2 CYS 8 -0.679 -1.471 -5.127
40 HB3 CYS 8 HB3 CYS 8 -2.218 -2.257 -5.399
41 H ARG 9 H ARG 9 -1.933 -2.109 -1.129
42 HA ARG 9 HA ARG 9 0.241 -0.397 -0.495
43 HB2 ARG 9 HB2 ARG 9 -2.096 -0.698 0.617
44 HB3 ARG 9 HB3 ARG 9 -1.321 -1.958 1.520
45 HG2 ARG 9 HG2 ARG 9 -0.071 0.731 1.474
46 HG3 ARG 9 HG3 ARG 9 -1.395 0.423 2.603
47 HD2 ARG 9 HD2 ARG 9 1.223 -1.096 2.423
48 HD3 ARG 9 HD3 ARG 9 0.833 0.099 3.659
49 HE ARG 9 HE ARG 9 -1.160 -1.695 3.892
50 HH11 ARG 9 HH11 ARG 9 2.358 -2.025 3.938
51 HH12 ARG 9 HH12 ARG 9 2.325 -3.386 4.970
52 HH21 ARG 9 HH21 ARG 9 -1.151 -3.531 5.307
53 HH22 ARG 9 HH22 ARG 9 0.321 -4.277 5.724
54 H ASN 10 H ASN 10 -0.455 -3.701 0.065
55 HA ASN 10 HA ASN 10 1.866 -4.371 1.537
56 HB2 ASN 10 HB2 ASN 10 -0.059 -5.894 1.398
57 HB3 ASN 10 HB3 ASN 10 0.269 -6.186 -0.300
58 HD21 ASN 10 HD21 ASN 10 1.929 -7.656 -0.850
59 HD22 ASN 10 HD22 ASN 10 2.754 -8.605 0.320
60 H LYS 11 H LYS 11 1.545 -3.607 -1.784
61 HA LYS 11 HA LYS 11 4.053 -4.776 -2.617
62 HB2 LYS 11 HB2 LYS 11 1.989 -3.025 -3.933
63 HB3 LYS 11 HB3 LYS 11 3.462 -3.427 -4.692
64 HG2 LYS 11 HG2 LYS 11 1.390 -5.445 -3.816
65 HG3 LYS 11 HG3 LYS 11 1.640 -4.870 -5.464
66 HD2 LYS 11 HD2 LYS 11 3.973 -5.720 -5.333
67 HD3 LYS 11 HD3 LYS 11 3.584 -6.439 -3.775
68 HE2 LYS 11 HE2 LYS 11 2.228 -7.061 -6.387
69 HE3 LYS 11 HE3 LYS 11 3.418 -8.082 -5.588
70 HZ1 LYS 11 HZ1 LYS 11 1.859 -8.271 -3.714
71 HZ2 LYS 11 HZ2 LYS 11 1.202 -8.866 -5.139
72 HZ3 LYS 11 HZ3 LYS 11 0.728 -7.366 -4.561
73 H HIS 12 H HIS 12 2.976 -2.034 -0.997
74 HA HIS 12 HA HIS 12 5.323 -0.511 -1.843
75 HB2 HIS 12 HB2 HIS 12 2.501 0.472 -1.611
76 HB3 HIS 12 HB3 HIS 12 3.858 1.558 -1.794
77 HD1 HIS 12 HD1 HIS 12 5.364 0.766 -4.135
78 HD2 HIS 12 HD2 HIS 12 1.345 -0.122 -3.827
79 HE1 HIS 12 HE1 HIS 12 4.601 0.251 -6.481
80 HA PRO 13 HA PRO 13 4.338 -0.371 2.798
81 HB2 PRO 13 HB2 PRO 13 6.149 -2.047 3.915
82 HB3 PRO 13 HB3 PRO 13 4.586 -2.612 3.315
83 HG2 PRO 13 HG2 PRO 13 7.276 -2.728 1.996
84 HG3 PRO 13 HG3 PRO 13 6.010 -3.973 2.060
85 HD2 PRO 13 HD2 PRO 13 6.433 -2.319 -0.075
86 HD3 PRO 13 HD3 PRO 13 4.859 -3.043 0.307
87 H ASP 14 H ASP 14 7.282 -0.225 0.975
88 HA ASP 14 HA ASP 14 8.667 1.255 3.050
89 HB2 ASP 14 HB2 ASP 14 9.948 -0.443 1.815
90 HB3 ASP 14 HB3 ASP 14 9.593 0.387 0.301
91 H LEU 15 H LEU 15 6.660 1.733 0.355
92 HA LEU 15 HA LEU 15 7.718 4.232 -0.438
93 HB2 LEU 15 HB2 LEU 15 6.722 2.724 -2.063
94 HB3 LEU 15 HB3 LEU 15 5.276 2.626 -1.087
95 HG LEU 15 HG LEU 15 4.906 4.955 -1.439
96 HD11 LEU 15 HD11 LEU 15 7.117 4.586 -3.393
97 HD12 LEU 15 HD12 LEU 15 7.063 5.740 -2.042
98 HD13 LEU 15 HD13 LEU 15 6.038 5.979 -3.475
99 HD21 LEU 15 HD21 LEU 15 4.943 3.161 -3.821
100 HD22 LEU 15 HD22 LEU 15 4.142 4.739 -3.807
101 HD23 LEU 15 HD23 LEU 15 3.614 3.471 -2.688
102 H CYS 16 H CYS 16 4.852 2.771 1.045
103 HA CYS 16 HA CYS 16 4.242 5.180 2.557
104 HB2 CYS 16 HB2 CYS 16 2.726 5.055 0.564
105 HB3 CYS 16 HB3 CYS 16 2.185 3.487 1.186
106 HN1 NH2 17 HN1 NH2 17 3.072 1.703 2.258
107 HN2 NH2 17 HN2 NH2 17 3.037 1.610 3.978
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -7.370 5.930 -2.619
2 H2 GLY 1 H2 GLY 1 -6.431 6.369 -3.946
3 H3 GLY 1 H3 GLY 1 -6.867 7.533 -2.787
4 HA2 GLY 1 HA2 GLY 1 -4.583 6.849 -2.500
5 HA3 GLY 1 HA3 GLY 1 -5.606 6.447 -1.125
6 H CYS 2 H CYS 2 -3.286 5.290 -3.157
7 HA CYS 2 HA CYS 2 -4.127 2.573 -3.538
8 HB2 CYS 2 HB2 CYS 2 -2.261 4.174 -4.607
9 HB3 CYS 2 HB3 CYS 2 -1.282 3.394 -3.406
10 H CYS 3 H CYS 3 -2.510 4.444 -1.177
11 HA CYS 3 HA CYS 3 -1.533 2.240 0.380
12 HB2 CYS 3 HB2 CYS 3 -0.448 4.483 0.342
13 HB3 CYS 3 HB3 CYS 3 -1.836 5.151 1.180
14 H SER 4 H SER 4 -4.555 3.371 -0.134
15 HA SER 4 HA SER 4 -5.549 2.542 2.494
16 HB2 SER 4 HB2 SER 4 -6.310 4.743 1.614
17 HB3 SER 4 HB3 SER 4 -6.962 3.929 0.195
18 HG SER 4 HG SER 4 -7.930 2.810 2.467
19 H ASP 5 H ASP 5 -4.640 1.226 -0.303
20 HA ASP 5 HA ASP 5 -6.777 -0.754 -0.326
21 HB2 ASP 5 HB2 ASP 5 -6.859 0.553 -2.378
22 HB3 ASP 5 HB3 ASP 5 -5.135 0.315 -2.627
23 HA PRO 6 HA PRO 6 -3.296 -2.973 1.422
24 HB2 PRO 6 HB2 PRO 6 -5.202 -5.226 0.948
25 HB3 PRO 6 HB3 PRO 6 -4.239 -4.841 2.375
26 HG2 PRO 6 HG2 PRO 6 -6.834 -4.260 2.320
27 HG3 PRO 6 HG3 PRO 6 -5.663 -3.166 3.073
28 HD2 PRO 6 HD2 PRO 6 -7.072 -2.915 0.452
29 HD3 PRO 6 HD3 PRO 6 -6.595 -1.653 1.607
30 HA PRO 7 HA PRO 7 -2.848 -6.124 -2.415
31 HB2 PRO 7 HB2 PRO 7 -4.253 -4.284 -4.313
32 HB3 PRO 7 HB3 PRO 7 -4.053 -6.040 -4.401
33 HG2 PRO 7 HG2 PRO 7 -6.351 -5.053 -3.585
34 HG3 PRO 7 HG3 PRO 7 -5.631 -6.431 -2.729
35 HD2 PRO 7 HD2 PRO 7 -5.749 -3.557 -1.945
36 HD3 PRO 7 HD3 PRO 7 -5.897 -5.011 -0.940
37 H CYS 8 H CYS 8 -3.058 -2.579 -3.144
38 HA CYS 8 HA CYS 8 -0.403 -2.840 -4.327
39 HB2 CYS 8 HB2 CYS 8 -0.746 -0.704 -5.375
40 HB3 CYS 8 HB3 CYS 8 -2.182 -1.684 -5.631
41 H ARG 9 H ARG 9 -1.283 -2.548 -1.349
42 HA ARG 9 HA ARG 9 0.633 -0.376 -0.720
43 HB2 ARG 9 HB2 ARG 9 -1.717 -0.248 0.163
44 HB3 ARG 9 HB3 ARG 9 -1.350 -1.675 1.085
45 HG2 ARG 9 HG2 ARG 9 0.601 -0.554 2.062
46 HG3 ARG 9 HG3 ARG 9 0.057 0.938 1.316
47 HD2 ARG 9 HD2 ARG 9 -2.036 0.854 2.534
48 HD3 ARG 9 HD3 ARG 9 -1.604 -0.705 3.231
49 HE ARG 9 HE ARG 9 0.405 1.015 3.935
50 HH11 ARG 9 HH11 ARG 9 -3.098 0.929 4.432
51 HH12 ARG 9 HH12 ARG 9 -3.041 1.660 5.973
52 HH21 ARG 9 HH21 ARG 9 0.465 2.075 6.021
53 HH22 ARG 9 HH22 ARG 9 -0.963 2.350 6.895
54 H ASN 10 H ASN 10 -0.504 -3.488 0.265
55 HA ASN 10 HA ASN 10 1.450 -4.048 2.204
56 HB2 ASN 10 HB2 ASN 10 -0.657 -5.311 2.070
57 HB3 ASN 10 HB3 ASN 10 -0.116 -6.059 0.572
58 HD21 ASN 10 HD21 ASN 10 1.334 -7.767 0.664
59 HD22 ASN 10 HD22 ASN 10 1.837 -8.467 2.145
60 H LYS 11 H LYS 11 1.600 -4.358 -1.205
61 HA LYS 11 HA LYS 11 4.063 -5.851 -1.125
62 HB2 LYS 11 HB2 LYS 11 2.284 -4.787 -3.262
63 HB3 LYS 11 HB3 LYS 11 3.894 -5.316 -3.642
64 HG2 LYS 11 HG2 LYS 11 3.333 -7.533 -2.636
65 HG3 LYS 11 HG3 LYS 11 1.682 -6.955 -2.426
66 HD2 LYS 11 HD2 LYS 11 1.375 -6.729 -4.775
67 HD3 LYS 11 HD3 LYS 11 3.091 -7.011 -5.081
68 HE2 LYS 11 HE2 LYS 11 1.771 -8.993 -5.589
69 HE3 LYS 11 HE3 LYS 11 2.878 -9.290 -4.255
70 HZ1 LYS 11 HZ1 LYS 11 1.003 -8.979 -2.719
71 HZ2 LYS 11 HZ2 LYS 11 0.723 -10.222 -3.818
72 HZ3 LYS 11 HZ3 LYS 11 -0.025 -8.741 -4.034
73 H HIS 12 H HIS 12 3.260 -2.708 -0.564
74 HA HIS 12 HA HIS 12 5.760 -1.727 -1.720
75 HB2 HIS 12 HB2 HIS 12 3.064 -0.425 -1.973
76 HB3 HIS 12 HB3 HIS 12 4.558 0.324 -2.483
77 HD1 HIS 12 HD1 HIS 12 5.835 -1.171 -4.518
78 HD2 HIS 12 HD2 HIS 12 1.848 -1.894 -3.698
79 HE1 HIS 12 HE1 HIS 12 4.956 -2.403 -6.527
80 HA PRO 13 HA PRO 13 4.839 -0.084 2.619
81 HB2 PRO 13 HB2 PRO 13 6.567 -1.467 4.128
82 HB3 PRO 13 HB3 PRO 13 5.016 -2.179 3.664
83 HG2 PRO 13 HG2 PRO 13 7.724 -2.627 2.474
84 HG3 PRO 13 HG3 PRO 13 6.469 -3.814 2.875
85 HD2 PRO 13 HD2 PRO 13 6.886 -2.816 0.353
86 HD3 PRO 13 HD3 PRO 13 5.328 -3.439 0.924
87 H ASP 14 H ASP 14 7.020 -0.072 0.355
88 HA ASP 14 HA ASP 14 9.336 1.124 1.543
89 HB2 ASP 14 HB2 ASP 14 9.605 -0.094 -0.502
90 HB3 ASP 14 HB3 ASP 14 8.408 0.906 -1.319
91 H LEU 15 H LEU 15 6.440 2.297 -0.082
92 HA LEU 15 HA LEU 15 7.429 4.937 0.426
93 HB2 LEU 15 HB2 LEU 15 5.811 5.856 -1.203
94 HB3 LEU 15 HB3 LEU 15 6.981 4.772 -1.903
95 HG LEU 15 HG LEU 15 4.175 3.853 -1.262
96 HD11 LEU 15 HD11 LEU 15 4.018 5.832 -2.702
97 HD12 LEU 15 HD12 LEU 15 3.613 4.367 -3.595
98 HD13 LEU 15 HD13 LEU 15 5.191 5.121 -3.810
99 HD21 LEU 15 HD21 LEU 15 5.809 2.093 -1.760
100 HD22 LEU 15 HD22 LEU 15 6.277 2.942 -3.230
101 HD23 LEU 15 HD23 LEU 15 4.655 2.269 -3.087
102 H CYS 16 H CYS 16 4.609 2.887 0.975
103 HA CYS 16 HA CYS 16 3.925 4.645 3.153
104 HB2 CYS 16 HB2 CYS 16 2.678 5.485 1.131
105 HB3 CYS 16 HB3 CYS 16 1.893 3.917 1.034
106 HN1 NH2 17 HN1 NH2 17 4.443 2.986 4.498
107 HN2 NH2 17 HN2 NH2 17 3.594 1.481 4.559
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -5.951 7.162 -3.617
2 H2 GLY 1 H2 GLY 1 -6.413 5.521 -3.545
3 H3 GLY 1 H3 GLY 1 -5.116 5.990 -4.513
4 HA2 GLY 1 HA2 GLY 1 -3.848 6.612 -2.607
5 HA3 GLY 1 HA3 GLY 1 -5.221 6.205 -1.588
6 H CYS 2 H CYS 2 -2.405 5.074 -2.994
7 HA CYS 2 HA CYS 2 -3.063 2.318 -3.346
8 HB2 CYS 2 HB2 CYS 2 -1.065 3.650 -4.260
9 HB3 CYS 2 HB3 CYS 2 -0.378 3.445 -2.688
10 H CYS 3 H CYS 3 -1.712 4.261 -0.860
11 HA CYS 3 HA CYS 3 -1.177 2.133 0.913
12 HB2 CYS 3 HB2 CYS 3 -0.186 4.400 1.193
13 HB3 CYS 3 HB3 CYS 3 -1.753 4.981 1.737
14 H SER 4 H SER 4 -4.119 3.754 0.104
15 HA SER 4 HA SER 4 -5.620 2.765 2.347
16 HB2 SER 4 HB2 SER 4 -6.503 4.100 -0.206
17 HB3 SER 4 HB3 SER 4 -7.411 3.946 1.298
18 HG SER 4 HG SER 4 -6.421 5.995 1.021
19 H ASP 5 H ASP 5 -4.342 1.366 -0.359
20 HA ASP 5 HA ASP 5 -6.601 -0.454 -0.704
21 HB2 ASP 5 HB2 ASP 5 -6.290 0.816 -2.744
22 HB3 ASP 5 HB3 ASP 5 -4.570 0.461 -2.744
23 HA PRO 6 HA PRO 6 -3.523 -2.932 1.430
24 HB2 PRO 6 HB2 PRO 6 -5.678 -4.948 0.965
25 HB3 PRO 6 HB3 PRO 6 -4.748 -4.597 2.423
26 HG2 PRO 6 HG2 PRO 6 -7.251 -3.715 2.154
27 HG3 PRO 6 HG3 PRO 6 -6.010 -2.748 2.967
28 HD2 PRO 6 HD2 PRO 6 -7.203 -2.417 0.258
29 HD3 PRO 6 HD3 PRO 6 -6.613 -1.185 1.390
30 HA PRO 7 HA PRO 7 -3.434 -6.257 -2.355
31 HB2 PRO 7 HB2 PRO 7 -4.472 -4.202 -4.257
32 HB3 PRO 7 HB3 PRO 7 -4.517 -5.968 -4.383
33 HG2 PRO 7 HG2 PRO 7 -6.677 -4.668 -3.629
34 HG3 PRO 7 HG3 PRO 7 -6.196 -6.161 -2.800
35 HD2 PRO 7 HD2 PRO 7 -5.972 -3.338 -1.893
36 HD3 PRO 7 HD3 PRO 7 -6.299 -4.808 -0.955
37 H CYS 8 H CYS 8 -3.089 -2.720 -3.120
38 HA CYS 8 HA CYS 8 -0.507 -3.433 -4.166
39 HB2 CYS 8 HB2 CYS 8 -0.274 -1.201 -5.032
40 HB3 CYS 8 HB3 CYS 8 -1.878 -1.788 -5.426
41 H ARG 9 H ARG 9 -1.775 -1.845 -1.317
42 HA ARG 9 HA ARG 9 0.618 -0.617 -0.455
43 HB2 ARG 9 HB2 ARG 9 -1.847 -0.482 0.370
44 HB3 ARG 9 HB3 ARG 9 -1.383 -1.784 1.406
45 HG2 ARG 9 HG2 ARG 9 0.432 0.521 1.416
46 HG3 ARG 9 HG3 ARG 9 -1.129 0.735 2.227
47 HD2 ARG 9 HD2 ARG 9 0.793 -1.510 2.784
48 HD3 ARG 9 HD3 ARG 9 0.727 -0.023 3.735
49 HE ARG 9 HE ARG 9 -1.702 -1.610 3.420
50 HH11 ARG 9 HH11 ARG 9 0.883 -0.508 5.566
51 HH12 ARG 9 HH12 ARG 9 0.103 -1.016 6.993
52 HH21 ARG 9 HH21 ARG 9 -2.787 -2.234 5.340
53 HH22 ARG 9 HH22 ARG 9 -2.082 -1.993 6.867
54 H ASN 10 H ASN 10 -0.673 -3.733 -0.019
55 HA ASN 10 HA ASN 10 1.244 -4.862 1.721
56 HB2 ASN 10 HB2 ASN 10 -0.841 -6.039 1.232
57 HB3 ASN 10 HB3 ASN 10 -0.408 -6.173 -0.456
58 HD21 ASN 10 HD21 ASN 10 1.828 -6.891 2.211
59 HD22 ASN 10 HD22 ASN 10 1.879 -8.578 1.914
60 H LYS 11 H LYS 11 1.528 -4.036 -1.591
61 HA LYS 11 HA LYS 11 3.937 -5.588 -1.923
62 HB2 LYS 11 HB2 LYS 11 2.401 -3.757 -3.735
63 HB3 LYS 11 HB3 LYS 11 3.804 -4.666 -4.186
64 HG2 LYS 11 HG2 LYS 11 2.589 -6.769 -3.721
65 HG3 LYS 11 HG3 LYS 11 1.168 -5.820 -3.286
66 HD2 LYS 11 HD2 LYS 11 0.925 -6.622 -5.548
67 HD3 LYS 11 HD3 LYS 11 1.155 -4.873 -5.571
68 HE2 LYS 11 HE2 LYS 11 3.514 -5.190 -6.131
69 HE3 LYS 11 HE3 LYS 11 3.292 -6.937 -6.075
70 HZ1 LYS 11 HZ1 LYS 11 3.245 -6.165 -8.314
71 HZ2 LYS 11 HZ2 LYS 11 2.040 -5.042 -7.974
72 HZ3 LYS 11 HZ3 LYS 11 1.686 -6.682 -7.918
73 H HIS 12 H HIS 12 3.020 -2.622 -0.636
74 HA HIS 12 HA HIS 12 5.546 -1.411 -1.499
75 HB2 HIS 12 HB2 HIS 12 2.901 0.037 -1.626
76 HB3 HIS 12 HB3 HIS 12 4.466 0.791 -1.850
77 HD1 HIS 12 HD1 HIS 12 5.752 0.117 -4.133
78 HD2 HIS 12 HD2 HIS 12 1.869 -1.214 -3.687
79 HE1 HIS 12 HE1 HIS 12 5.041 -0.705 -6.418
80 HA PRO 13 HA PRO 13 5.116 -0.516 2.979
81 HB2 PRO 13 HB2 PRO 13 7.791 -1.524 3.336
82 HB3 PRO 13 HB3 PRO 13 6.285 -2.209 3.948
83 HG2 PRO 13 HG2 PRO 13 7.848 -3.413 2.029
84 HG3 PRO 13 HG3 PRO 13 6.106 -3.686 2.213
85 HD2 PRO 13 HD2 PRO 13 7.554 -1.907 0.289
86 HD3 PRO 13 HD3 PRO 13 6.145 -2.957 0.010
87 H ASP 14 H ASP 14 7.359 0.254 0.501
88 HA ASP 14 HA ASP 14 8.758 2.230 2.138
89 HB2 ASP 14 HB2 ASP 14 10.140 0.827 0.676
90 HB3 ASP 14 HB3 ASP 14 9.232 1.369 -0.725
91 H LEU 15 H LEU 15 6.184 2.048 -0.172
92 HA LEU 15 HA LEU 15 6.383 4.763 -0.912
93 HB2 LEU 15 HB2 LEU 15 5.632 3.031 -2.471
94 HB3 LEU 15 HB3 LEU 15 4.347 2.615 -1.348
95 HG LEU 15 HG LEU 15 3.396 4.741 -1.615
96 HD11 LEU 15 HD11 LEU 15 4.058 6.189 -3.581
97 HD12 LEU 15 HD12 LEU 15 5.459 5.142 -3.810
98 HD13 LEU 15 HD13 LEU 15 5.298 6.089 -2.333
99 HD21 LEU 15 HD21 LEU 15 2.451 4.370 -3.898
100 HD22 LEU 15 HD22 LEU 15 2.516 2.921 -2.897
101 HD23 LEU 15 HD23 LEU 15 3.715 3.169 -4.165
102 H CYS 16 H CYS 16 4.772 2.719 1.404
103 HA CYS 16 HA CYS 16 3.831 5.100 2.735
104 HB2 CYS 16 HB2 CYS 16 1.887 4.148 1.441
105 HB3 CYS 16 HB3 CYS 16 2.050 2.678 2.398
106 HN1 NH2 17 HN1 NH2 17 5.369 4.857 4.235
107 HN2 NH2 17 HN2 NH2 17 5.523 3.474 5.257
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -7.264 5.687 -5.535
2 H2 GLY 1 H2 GLY 1 -6.915 4.054 -5.839
3 H3 GLY 1 H3 GLY 1 -5.695 5.189 -5.945
4 HA2 GLY 1 HA2 GLY 1 -5.798 5.585 -3.596
5 HA3 GLY 1 HA3 GLY 1 -7.145 4.450 -3.480
6 H CYS 2 H CYS 2 -3.853 4.782 -3.200
7 HA CYS 2 HA CYS 2 -3.425 1.963 -3.876
8 HB2 CYS 2 HB2 CYS 2 -2.102 3.748 -5.064
9 HB3 CYS 2 HB3 CYS 2 -1.371 4.109 -3.534
10 H CYS 3 H CYS 3 -2.313 4.447 -1.678
11 HA CYS 3 HA CYS 3 -1.039 2.713 0.122
12 HB2 CYS 3 HB2 CYS 3 -0.578 5.153 -0.100
13 HB3 CYS 3 HB3 CYS 3 -2.090 5.484 0.731
14 H SER 4 H SER 4 -4.437 3.694 0.028
15 HA SER 4 HA SER 4 -4.938 2.589 2.635
16 HB2 SER 4 HB2 SER 4 -6.786 3.649 0.520
17 HB3 SER 4 HB3 SER 4 -7.176 3.320 2.210
18 HG SER 4 HG SER 4 -5.056 4.856 2.198
19 H ASP 5 H ASP 5 -4.582 1.388 -0.476
20 HA ASP 5 HA ASP 5 -6.642 -0.673 -0.198
21 HB2 ASP 5 HB2 ASP 5 -6.700 0.569 -2.300
22 HB3 ASP 5 HB3 ASP 5 -4.999 0.235 -2.570
23 HA PRO 6 HA PRO 6 -3.369 -3.153 1.544
24 HB2 PRO 6 HB2 PRO 6 -5.186 -5.366 0.701
25 HB3 PRO 6 HB3 PRO 6 -4.388 -5.077 2.244
26 HG2 PRO 6 HG2 PRO 6 -6.981 -4.507 1.920
27 HG3 PRO 6 HG3 PRO 6 -5.917 -3.519 2.932
28 HD2 PRO 6 HD2 PRO 6 -7.052 -2.925 0.248
29 HD3 PRO 6 HD3 PRO 6 -6.629 -1.826 1.572
30 HA PRO 7 HA PRO 7 -2.225 -5.870 -2.307
31 HB2 PRO 7 HB2 PRO 7 -3.831 -4.625 -4.464
32 HB3 PRO 7 HB3 PRO 7 -3.476 -6.334 -4.189
33 HG2 PRO 7 HG2 PRO 7 -5.902 -5.373 -3.713
34 HG3 PRO 7 HG3 PRO 7 -5.173 -6.558 -2.612
35 HD2 PRO 7 HD2 PRO 7 -5.401 -3.590 -2.319
36 HD3 PRO 7 HD3 PRO 7 -5.704 -4.860 -1.117
37 H CYS 8 H CYS 8 -2.990 -2.475 -2.432
38 HA CYS 8 HA CYS 8 -0.632 -1.944 -4.096
39 HB2 CYS 8 HB2 CYS 8 -3.084 -1.029 -4.500
40 HB3 CYS 8 HB3 CYS 8 -2.624 0.138 -3.268
41 H ARG 9 H ARG 9 -1.175 -2.528 -1.048
42 HA ARG 9 HA ARG 9 0.396 -0.253 -0.027
43 HB2 ARG 9 HB2 ARG 9 -1.904 -0.554 0.843
44 HB3 ARG 9 HB3 ARG 9 -1.431 -2.125 1.400
45 HG2 ARG 9 HG2 ARG 9 0.297 -1.208 2.776
46 HG3 ARG 9 HG3 ARG 9 -0.182 0.421 2.299
47 HD2 ARG 9 HD2 ARG 9 -1.187 -0.158 4.482
48 HD3 ARG 9 HD3 ARG 9 -2.421 0.054 3.242
49 HE ARG 9 HE ARG 9 -1.474 -2.657 3.758
50 HH11 ARG 9 HH11 ARG 9 -4.041 -0.267 4.157
51 HH12 ARG 9 HH12 ARG 9 -5.212 -1.371 4.701
52 HH21 ARG 9 HH21 ARG 9 -3.058 -4.191 4.554
53 HH22 ARG 9 HH22 ARG 9 -4.638 -3.660 4.939
54 H ASN 10 H ASN 10 -0.345 -3.606 0.605
55 HA ASN 10 HA ASN 10 1.991 -3.963 2.174
56 HB2 ASN 10 HB2 ASN 10 0.090 -6.046 1.099
57 HB3 ASN 10 HB3 ASN 10 1.414 -6.397 2.203
58 HD21 ASN 10 HD21 ASN 10 0.120 -7.082 3.877
59 HD22 ASN 10 HD22 ASN 10 -0.890 -6.023 4.784
60 H LYS 11 H LYS 11 1.496 -4.142 -1.181
61 HA LYS 11 HA LYS 11 3.938 -5.632 -1.674
62 HB2 LYS 11 HB2 LYS 11 1.975 -4.230 -3.457
63 HB3 LYS 11 HB3 LYS 11 3.302 -5.212 -3.998
64 HG2 LYS 11 HG2 LYS 11 0.955 -6.225 -2.395
65 HG3 LYS 11 HG3 LYS 11 1.027 -6.252 -4.146
66 HD2 LYS 11 HD2 LYS 11 1.573 -8.435 -3.462
67 HD3 LYS 11 HD3 LYS 11 3.111 -7.699 -3.886
68 HE2 LYS 11 HE2 LYS 11 3.687 -7.438 -1.570
69 HE3 LYS 11 HE3 LYS 11 2.061 -7.895 -1.056
70 HZ1 LYS 11 HZ1 LYS 11 3.683 -9.639 -0.785
71 HZ2 LYS 11 HZ2 LYS 11 4.040 -9.633 -2.426
72 HZ3 LYS 11 HZ3 LYS 11 2.501 -10.108 -1.890
73 H HIS 12 H HIS 12 3.217 -2.636 -0.632
74 HA HIS 12 HA HIS 12 5.421 -1.318 -2.059
75 HB2 HIS 12 HB2 HIS 12 2.639 -0.204 -1.651
76 HB3 HIS 12 HB3 HIS 12 3.945 0.687 -2.382
77 HD1 HIS 12 HD1 HIS 12 4.570 -0.110 -4.926
78 HD2 HIS 12 HD2 HIS 12 1.294 -1.889 -3.140
79 HE1 HIS 12 HE1 HIS 12 3.348 -1.279 -6.788
80 HA PRO 13 HA PRO 13 4.660 -0.816 2.626
81 HB2 PRO 13 HB2 PRO 13 7.215 -2.063 3.225
82 HB3 PRO 13 HB3 PRO 13 5.595 -2.589 3.677
83 HG2 PRO 13 HG2 PRO 13 7.145 -3.935 1.890
84 HG3 PRO 13 HG3 PRO 13 5.375 -3.941 1.844
85 HD2 PRO 13 HD2 PRO 13 7.304 -2.324 0.218
86 HD3 PRO 13 HD3 PRO 13 5.828 -3.168 -0.300
87 H ASP 14 H ASP 14 7.369 -0.048 0.634
88 HA ASP 14 HA ASP 14 8.556 1.645 2.659
89 HB2 ASP 14 HB2 ASP 14 10.057 0.388 1.237
90 HB3 ASP 14 HB3 ASP 14 9.395 1.147 -0.202
91 H LEU 15 H LEU 15 6.644 2.022 -0.262
92 HA LEU 15 HA LEU 15 6.873 4.847 0.049
93 HB2 LEU 15 HB2 LEU 15 5.542 5.071 -2.032
94 HB3 LEU 15 HB3 LEU 15 6.960 4.080 -2.230
95 HG LEU 15 HG LEU 15 5.330 2.090 -1.982
96 HD11 LEU 15 HD11 LEU 15 3.373 4.265 -2.692
97 HD12 LEU 15 HD12 LEU 15 3.380 3.303 -1.214
98 HD13 LEU 15 HD13 LEU 15 3.043 2.535 -2.768
99 HD21 LEU 15 HD21 LEU 15 4.847 2.147 -4.379
100 HD22 LEU 15 HD22 LEU 15 6.499 2.663 -4.035
101 HD23 LEU 15 HD23 LEU 15 5.262 3.859 -4.419
102 H CYS 16 H CYS 16 4.788 2.369 0.966
103 HA CYS 16 HA CYS 16 3.162 4.306 2.373
104 HB2 CYS 16 HB2 CYS 16 1.756 3.760 0.487
105 HB3 CYS 16 HB3 CYS 16 2.042 2.037 0.709
106 HN1 NH2 17 HN1 NH2 17 2.914 0.781 2.048
107 HN2 NH2 17 HN2 NH2 17 3.298 0.445 3.695
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -8.338 5.722 -2.752
2 H2 GLY 1 H2 GLY 1 -7.649 6.068 -4.247
3 H3 GLY 1 H3 GLY 1 -8.016 7.325 -3.180
4 HA2 GLY 1 HA2 GLY 1 -5.644 6.842 -3.157
5 HA3 GLY 1 HA3 GLY 1 -6.393 6.456 -1.607
6 H CYS 2 H CYS 2 -4.167 5.332 -3.677
7 HA CYS 2 HA CYS 2 -5.095 2.625 -4.031
8 HB2 CYS 2 HB2 CYS 2 -3.482 4.157 -5.460
9 HB3 CYS 2 HB3 CYS 2 -2.285 3.464 -4.410
10 H CYS 3 H CYS 3 -2.933 4.418 -2.039
11 HA CYS 3 HA CYS 3 -1.832 2.102 -0.735
12 HB2 CYS 3 HB2 CYS 3 -0.614 4.296 -0.931
13 HB3 CYS 3 HB3 CYS 3 -1.732 4.981 0.232
14 H SER 4 H SER 4 -4.797 3.495 -0.576
15 HA SER 4 HA SER 4 -5.340 2.764 2.183
16 HB2 SER 4 HB2 SER 4 -6.442 4.771 1.117
17 HB3 SER 4 HB3 SER 4 -7.256 3.685 0.001
18 HG SER 4 HG SER 4 -7.703 2.889 2.564
19 H ASP 5 H ASP 5 -4.994 1.269 -0.763
20 HA ASP 5 HA ASP 5 -6.871 -0.896 -0.225
21 HB2 ASP 5 HB2 ASP 5 -7.019 -0.046 -2.479
22 HB3 ASP 5 HB3 ASP 5 -5.272 -0.080 -2.664
23 HA PRO 6 HA PRO 6 -3.378 -2.846 1.745
24 HB2 PRO 6 HB2 PRO 6 -4.938 -5.341 1.289
25 HB3 PRO 6 HB3 PRO 6 -4.224 -4.712 2.771
26 HG2 PRO 6 HG2 PRO 6 -6.851 -4.533 2.327
27 HG3 PRO 6 HG3 PRO 6 -5.964 -3.259 3.176
28 HD2 PRO 6 HD2 PRO 6 -7.006 -3.303 0.377
29 HD3 PRO 6 HD3 PRO 6 -6.880 -1.950 1.519
30 HA PRO 7 HA PRO 7 -2.018 -5.908 -1.761
31 HB2 PRO 7 HB2 PRO 7 -3.687 -4.848 -3.986
32 HB3 PRO 7 HB3 PRO 7 -3.123 -6.498 -3.705
33 HG2 PRO 7 HG2 PRO 7 -5.649 -5.856 -3.242
34 HG3 PRO 7 HG3 PRO 7 -4.778 -6.937 -2.140
35 HD2 PRO 7 HD2 PRO 7 -5.472 -4.048 -1.816
36 HD3 PRO 7 HD3 PRO 7 -5.485 -5.352 -0.611
37 H CYS 8 H CYS 8 -3.256 -2.693 -2.740
38 HA CYS 8 HA CYS 8 -0.806 -2.066 -4.120
39 HB2 CYS 8 HB2 CYS 8 -3.040 -1.231 -4.891
40 HB3 CYS 8 HB3 CYS 8 -3.139 -0.245 -3.442
41 H ARG 9 H ARG 9 -1.274 -2.364 -0.987
42 HA ARG 9 HA ARG 9 0.439 -0.060 -0.251
43 HB2 ARG 9 HB2 ARG 9 -1.893 -0.327 0.717
44 HB3 ARG 9 HB3 ARG 9 -1.293 -1.757 1.489
45 HG2 ARG 9 HG2 ARG 9 0.348 -0.518 2.728
46 HG3 ARG 9 HG3 ARG 9 -0.171 0.973 1.931
47 HD2 ARG 9 HD2 ARG 9 -2.408 0.715 2.841
48 HD3 ARG 9 HD3 ARG 9 -1.942 -0.787 3.617
49 HE ARG 9 HE ARG 9 -0.313 0.676 4.886
50 HH11 ARG 9 HH11 ARG 9 -3.261 2.088 3.573
51 HH12 ARG 9 HH12 ARG 9 -3.664 2.969 4.977
52 HH21 ARG 9 HH21 ARG 9 -0.773 1.969 6.779
53 HH22 ARG 9 HH22 ARG 9 -2.207 2.906 6.850
54 H ASN 10 H ASN 10 -0.329 -3.372 0.425
55 HA ASN 10 HA ASN 10 1.913 -3.987 2.040
56 HB2 ASN 10 HB2 ASN 10 -0.182 -5.283 2.115
57 HB3 ASN 10 HB3 ASN 10 0.135 -5.885 0.496
58 HD21 ASN 10 HD21 ASN 10 1.063 -6.031 3.834
59 HD22 ASN 10 HD22 ASN 10 1.981 -7.481 3.738
60 H LYS 11 H LYS 11 1.592 -3.889 -1.377
61 HA LYS 11 HA LYS 11 4.012 -5.385 -1.880
62 HB2 LYS 11 HB2 LYS 11 2.123 -3.775 -3.555
63 HB3 LYS 11 HB3 LYS 11 3.523 -4.559 -4.213
64 HG2 LYS 11 HG2 LYS 11 2.599 -6.744 -3.515
65 HG3 LYS 11 HG3 LYS 11 1.194 -5.910 -2.847
66 HD2 LYS 11 HD2 LYS 11 0.698 -5.019 -5.086
67 HD3 LYS 11 HD3 LYS 11 2.065 -5.934 -5.727
68 HE2 LYS 11 HE2 LYS 11 1.008 -8.007 -5.010
69 HE3 LYS 11 HE3 LYS 11 -0.354 -7.092 -4.364
70 HZ1 LYS 11 HZ1 LYS 11 0.462 -7.195 -7.222
71 HZ2 LYS 11 HZ2 LYS 11 -0.839 -6.315 -6.596
72 HZ3 LYS 11 HZ3 LYS 11 -0.856 -7.974 -6.525
73 H HIS 12 H HIS 12 3.313 -2.443 -0.656
74 HA HIS 12 HA HIS 12 5.641 -1.155 -1.866
75 HB2 HIS 12 HB2 HIS 12 2.934 0.066 -1.344
76 HB3 HIS 12 HB3 HIS 12 4.333 0.991 -1.852
77 HD1 HIS 12 HD1 HIS 12 5.224 0.398 -4.326
78 HD2 HIS 12 HD2 HIS 12 1.570 -1.204 -3.234
79 HE1 HIS 12 HE1 HIS 12 4.188 -0.512 -6.462
80 HA PRO 13 HA PRO 13 5.284 -0.882 2.910
81 HB2 PRO 13 HB2 PRO 13 7.479 -2.315 3.632
82 HB3 PRO 13 HB3 PRO 13 5.893 -3.065 3.424
83 HG2 PRO 13 HG2 PRO 13 8.198 -2.967 1.519
84 HG3 PRO 13 HG3 PRO 13 7.157 -4.339 1.943
85 HD2 PRO 13 HD2 PRO 13 6.799 -2.926 -0.318
86 HD3 PRO 13 HD3 PRO 13 5.439 -3.619 0.580
87 H ASP 14 H ASP 14 7.482 -0.359 0.448
88 HA ASP 14 HA ASP 14 9.489 1.035 1.889
89 HB2 ASP 14 HB2 ASP 14 9.998 0.055 -0.282
90 HB3 ASP 14 HB3 ASP 14 8.805 1.098 -1.052
91 H LEU 15 H LEU 15 6.844 2.196 -0.256
92 HA LEU 15 HA LEU 15 7.295 4.773 0.890
93 HB2 LEU 15 HB2 LEU 15 5.917 5.732 -0.907
94 HB3 LEU 15 HB3 LEU 15 7.245 4.783 -1.513
95 HG LEU 15 HG LEU 15 5.421 2.910 -1.795
96 HD11 LEU 15 HD11 LEU 15 3.699 5.367 -1.762
97 HD12 LEU 15 HD12 LEU 15 3.639 4.023 -0.618
98 HD13 LEU 15 HD13 LEU 15 3.216 3.762 -2.311
99 HD21 LEU 15 HD21 LEU 15 5.512 5.338 -3.581
100 HD22 LEU 15 HD22 LEU 15 4.929 3.739 -4.040
101 HD23 LEU 15 HD23 LEU 15 6.629 3.975 -3.634
102 H CYS 16 H CYS 16 4.950 2.214 1.059
103 HA CYS 16 HA CYS 16 3.167 3.906 2.547
104 HB2 CYS 16 HB2 CYS 16 2.997 1.223 1.252
105 HB3 CYS 16 HB3 CYS 16 1.812 1.701 2.464
106 HN1 NH2 17 HN1 NH2 17 3.741 0.456 3.046
107 HN2 NH2 17 HN2 NH2 17 4.312 0.610 4.660
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -6.522 5.509 -2.912
2 H2 GLY 1 H2 GLY 1 -6.035 7.111 -3.126
3 H3 GLY 1 H3 GLY 1 -5.620 6.283 -1.710
4 HA2 GLY 1 HA2 GLY 1 -4.649 5.687 -4.430
5 HA3 GLY 1 HA3 GLY 1 -3.715 6.400 -3.121
6 H CYS 2 H CYS 2 -2.387 4.479 -3.797
7 HA CYS 2 HA CYS 2 -3.170 1.797 -3.422
8 HB2 CYS 2 HB2 CYS 2 -1.180 2.815 -4.655
9 HB3 CYS 2 HB3 CYS 2 -0.431 2.902 -3.099
10 H CYS 3 H CYS 3 -1.582 4.088 -1.408
11 HA CYS 3 HA CYS 3 -0.905 2.366 0.721
12 HB2 CYS 3 HB2 CYS 3 0.069 4.641 0.408
13 HB3 CYS 3 HB3 CYS 3 -1.456 5.333 0.946
14 H SER 4 H SER 4 -3.984 3.686 -0.119
15 HA SER 4 HA SER 4 -5.014 2.957 2.491
16 HB2 SER 4 HB2 SER 4 -5.556 5.215 1.613
17 HB3 SER 4 HB3 SER 4 -6.370 4.476 0.236
18 HG SER 4 HG SER 4 -7.174 3.652 2.750
19 H ASP 5 H ASP 5 -4.275 1.393 -0.204
20 HA ASP 5 HA ASP 5 -6.734 -0.188 -0.236
21 HB2 ASP 5 HB2 ASP 5 -6.560 1.254 -2.227
22 HB3 ASP 5 HB3 ASP 5 -4.999 0.542 -2.598
23 HA PRO 6 HA PRO 6 -3.602 -2.920 1.480
24 HB2 PRO 6 HB2 PRO 6 -5.887 -4.799 1.126
25 HB3 PRO 6 HB3 PRO 6 -4.823 -4.572 2.520
26 HG2 PRO 6 HG2 PRO 6 -7.276 -3.537 2.513
27 HG3 PRO 6 HG3 PRO 6 -5.911 -2.649 3.209
28 HD2 PRO 6 HD2 PRO 6 -7.345 -2.202 0.638
29 HD3 PRO 6 HD3 PRO 6 -6.581 -1.028 1.730
30 HA PRO 7 HA PRO 7 -3.947 -6.391 -2.090
31 HB2 PRO 7 HB2 PRO 7 -4.754 -5.084 -4.460
32 HB3 PRO 7 HB3 PRO 7 -5.639 -6.329 -3.577
33 HG2 PRO 7 HG2 PRO 7 -5.940 -3.376 -3.499
34 HG3 PRO 7 HG3 PRO 7 -7.166 -4.640 -3.316
35 HD2 PRO 7 HD2 PRO 7 -6.279 -3.252 -1.220
36 HD3 PRO 7 HD3 PRO 7 -6.644 -4.982 -1.078
37 H CYS 8 H CYS 8 -3.328 -2.983 -3.053
38 HA CYS 8 HA CYS 8 -0.878 -3.999 -4.226
39 HB2 CYS 8 HB2 CYS 8 -0.539 -1.799 -5.206
40 HB3 CYS 8 HB3 CYS 8 -2.145 -2.388 -5.595
41 H ARG 9 H ARG 9 -1.985 -2.184 -1.477
42 HA ARG 9 HA ARG 9 0.236 -0.753 -0.637
43 HB2 ARG 9 HB2 ARG 9 -2.096 -0.916 0.327
44 HB3 ARG 9 HB3 ARG 9 -1.534 -2.329 1.148
45 HG2 ARG 9 HG2 ARG 9 0.145 -1.206 2.343
46 HG3 ARG 9 HG3 ARG 9 -0.138 0.296 1.462
47 HD2 ARG 9 HD2 ARG 9 -1.123 0.372 3.695
48 HD3 ARG 9 HD3 ARG 9 -2.362 0.455 2.448
49 HE ARG 9 HE ARG 9 -1.827 -2.182 3.476
50 HH11 ARG 9 HH11 ARG 9 -3.777 0.743 3.841
51 HH12 ARG 9 HH12 ARG 9 -5.034 -0.027 4.704
52 HH21 ARG 9 HH21 ARG 9 -3.502 -3.236 4.666
53 HH22 ARG 9 HH22 ARG 9 -4.857 -2.357 5.198
54 H ASN 10 H ASN 10 -0.570 -4.034 -0.110
55 HA ASN 10 HA ASN 10 1.529 -4.789 1.628
56 HB2 ASN 10 HB2 ASN 10 -0.042 -6.471 -0.302
57 HB3 ASN 10 HB3 ASN 10 1.271 -7.168 0.637
58 HD21 ASN 10 HD21 ASN 10 1.017 -7.424 2.844
59 HD22 ASN 10 HD22 ASN 10 -0.509 -7.260 3.615
60 H LYS 11 H LYS 11 1.747 -4.146 -1.734
61 HA LYS 11 HA LYS 11 4.326 -5.419 -1.944
62 HB2 LYS 11 HB2 LYS 11 2.578 -3.927 -3.840
63 HB3 LYS 11 HB3 LYS 11 4.135 -4.553 -4.273
64 HG2 LYS 11 HG2 LYS 11 3.239 -6.856 -3.656
65 HG3 LYS 11 HG3 LYS 11 1.652 -6.094 -3.523
66 HD2 LYS 11 HD2 LYS 11 3.399 -6.148 -5.988
67 HD3 LYS 11 HD3 LYS 11 1.959 -7.120 -5.720
68 HE2 LYS 11 HE2 LYS 11 0.563 -5.156 -5.704
69 HE3 LYS 11 HE3 LYS 11 1.973 -4.104 -5.768
70 HZ1 LYS 11 HZ1 LYS 11 0.907 -4.339 -7.908
71 HZ2 LYS 11 HZ2 LYS 11 1.183 -6.007 -7.906
72 HZ3 LYS 11 HZ3 LYS 11 2.483 -4.924 -7.940
73 H HIS 12 H HIS 12 3.082 -2.567 -0.785
74 HA HIS 12 HA HIS 12 5.420 -1.077 -1.701
75 HB2 HIS 12 HB2 HIS 12 2.587 -0.045 -1.643
76 HB3 HIS 12 HB3 HIS 12 3.987 0.965 -1.945
77 HD1 HIS 12 HD1 HIS 12 5.271 0.444 -4.270
78 HD2 HIS 12 HD2 HIS 12 1.651 -1.476 -3.708
79 HE1 HIS 12 HE1 HIS 12 4.603 -0.459 -6.531
80 HA PRO 13 HA PRO 13 5.011 -0.350 2.781
81 HB2 PRO 13 HB2 PRO 13 7.208 -1.590 3.671
82 HB3 PRO 13 HB3 PRO 13 5.747 -2.501 3.276
83 HG2 PRO 13 HG2 PRO 13 8.292 -2.273 1.759
84 HG3 PRO 13 HG3 PRO 13 7.158 -3.628 1.859
85 HD2 PRO 13 HD2 PRO 13 7.333 -1.691 -0.212
86 HD3 PRO 13 HD3 PRO 13 6.072 -2.920 -0.010
87 H ASP 14 H ASP 14 7.145 0.396 0.321
88 HA ASP 14 HA ASP 14 9.123 1.798 1.834
89 HB2 ASP 14 HB2 ASP 14 9.775 0.879 -0.288
90 HB3 ASP 14 HB3 ASP 14 8.531 1.805 -1.116
91 H LEU 15 H LEU 15 6.597 3.031 -0.415
92 HA LEU 15 HA LEU 15 6.995 5.581 0.805
93 HB2 LEU 15 HB2 LEU 15 5.668 6.583 -0.878
94 HB3 LEU 15 HB3 LEU 15 6.621 5.363 -1.679
95 HG LEU 15 HG LEU 15 3.683 5.121 -0.982
96 HD11 LEU 15 HD11 LEU 15 4.065 6.782 -2.687
97 HD12 LEU 15 HD12 LEU 15 3.323 5.344 -3.389
98 HD13 LEU 15 HD13 LEU 15 5.045 5.644 -3.611
99 HD21 LEU 15 HD21 LEU 15 5.421 3.319 -2.676
100 HD22 LEU 15 HD22 LEU 15 3.686 3.149 -2.419
101 HD23 LEU 15 HD23 LEU 15 4.801 2.932 -1.070
102 H CYS 16 H CYS 16 5.070 2.925 1.316
103 HA CYS 16 HA CYS 16 3.227 4.508 2.944
104 HB2 CYS 16 HB2 CYS 16 2.011 3.580 1.015
105 HB3 CYS 16 HB3 CYS 16 2.581 1.967 1.421
106 HN1 NH2 17 HN1 NH2 17 4.396 4.269 4.771
107 HN2 NH2 17 HN2 NH2 17 4.709 2.754 5.541
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -6.618 7.686 -3.633
2 H2 GLY 1 H2 GLY 1 -7.281 6.139 -3.793
3 H3 GLY 1 H3 GLY 1 -5.881 6.531 -4.626
4 HA2 GLY 1 HA2 GLY 1 -4.660 6.747 -2.576
5 HA3 GLY 1 HA3 GLY 1 -6.125 6.345 -1.688
6 H CYS 2 H CYS 2 -3.803 5.131 -4.068
7 HA CYS 2 HA CYS 2 -4.797 2.447 -4.079
8 HB2 CYS 2 HB2 CYS 2 -3.266 3.789 -5.773
9 HB3 CYS 2 HB3 CYS 2 -1.981 3.197 -4.755
10 H CYS 3 H CYS 3 -2.317 4.230 -2.499
11 HA CYS 3 HA CYS 3 -1.025 2.101 -1.126
12 HB2 CYS 3 HB2 CYS 3 0.061 4.279 -1.626
13 HB3 CYS 3 HB3 CYS 3 -1.029 5.070 -0.509
14 H SER 4 H SER 4 -4.003 3.570 -0.597
15 HA SER 4 HA SER 4 -4.033 3.060 2.255
16 HB2 SER 4 HB2 SER 4 -5.194 5.057 1.303
17 HB3 SER 4 HB3 SER 4 -6.234 3.986 0.373
18 HG SER 4 HG SER 4 -6.047 4.182 3.189
19 H ASP 5 H ASP 5 -4.581 1.435 -0.672
20 HA ASP 5 HA ASP 5 -6.586 -0.389 0.421
21 HB2 ASP 5 HB2 ASP 5 -6.982 0.606 -1.809
22 HB3 ASP 5 HB3 ASP 5 -5.486 -0.117 -2.379
23 HA PRO 6 HA PRO 6 -3.418 -3.124 1.892
24 HB2 PRO 6 HB2 PRO 6 -5.450 -5.192 1.183
25 HB3 PRO 6 HB3 PRO 6 -4.514 -4.996 2.668
26 HG2 PRO 6 HG2 PRO 6 -7.082 -4.211 2.474
27 HG3 PRO 6 HG3 PRO 6 -5.904 -3.373 3.493
28 HD2 PRO 6 HD2 PRO 6 -7.164 -2.498 0.968
29 HD3 PRO 6 HD3 PRO 6 -6.398 -1.536 2.245
30 HA PRO 7 HA PRO 7 -2.540 -6.068 -1.763
31 HB2 PRO 7 HB2 PRO 7 -3.795 -5.568 -4.166
32 HB3 PRO 7 HB3 PRO 7 -4.287 -6.823 -3.027
33 HG2 PRO 7 HG2 PRO 7 -5.428 -4.111 -3.472
34 HG3 PRO 7 HG3 PRO 7 -6.254 -5.629 -3.085
35 HD2 PRO 7 HD2 PRO 7 -5.808 -3.685 -1.250
36 HD3 PRO 7 HD3 PRO 7 -5.865 -5.409 -0.837
37 H CYS 8 H CYS 8 -3.298 -2.720 -2.278
38 HA CYS 8 HA CYS 8 -0.917 -2.418 -3.955
39 HB2 CYS 8 HB2 CYS 8 -3.111 -1.504 -4.814
40 HB3 CYS 8 HB3 CYS 8 -3.139 -0.416 -3.435
41 H ARG 9 H ARG 9 -1.395 -2.702 -0.912
42 HA ARG 9 HA ARG 9 0.214 -0.357 -0.098
43 HB2 ARG 9 HB2 ARG 9 -2.134 -0.872 0.863
44 HB3 ARG 9 HB3 ARG 9 -1.357 -2.213 1.651
45 HG2 ARG 9 HG2 ARG 9 0.074 -0.785 2.899
46 HG3 ARG 9 HG3 ARG 9 -0.513 0.618 1.992
47 HD2 ARG 9 HD2 ARG 9 -2.806 0.183 2.836
48 HD3 ARG 9 HD3 ARG 9 -2.170 -1.134 3.813
49 HE ARG 9 HE ARG 9 -0.743 0.762 4.813
50 HH11 ARG 9 HH11 ARG 9 -4.163 1.070 3.814
51 HH12 ARG 9 HH12 ARG 9 -4.507 2.302 4.937
52 HH21 ARG 9 HH21 ARG 9 -1.292 2.410 6.392
53 HH22 ARG 9 HH22 ARG 9 -2.870 3.050 6.458
54 H ASN 10 H ASN 10 -0.390 -3.745 0.388
55 HA ASN 10 HA ASN 10 1.842 -4.509 1.881
56 HB2 ASN 10 HB2 ASN 10 -0.013 -6.007 1.684
57 HB3 ASN 10 HB3 ASN 10 0.139 -6.063 -0.065
58 HD21 ASN 10 HD21 ASN 10 1.471 -7.138 2.947
59 HD22 ASN 10 HD22 ASN 10 2.433 -8.413 2.302
60 H LYS 11 H LYS 11 1.562 -4.035 -1.521
61 HA LYS 11 HA LYS 11 4.099 -5.266 -2.140
62 HB2 LYS 11 HB2 LYS 11 2.006 -3.848 -3.746
63 HB3 LYS 11 HB3 LYS 11 3.444 -4.520 -4.438
64 HG2 LYS 11 HG2 LYS 11 2.783 -6.764 -3.631
65 HG3 LYS 11 HG3 LYS 11 1.327 -6.060 -2.934
66 HD2 LYS 11 HD2 LYS 11 0.604 -5.378 -5.178
67 HD3 LYS 11 HD3 LYS 11 2.054 -6.124 -5.861
68 HE2 LYS 11 HE2 LYS 11 1.358 -8.282 -4.946
69 HE3 LYS 11 HE3 LYS 11 -0.091 -7.533 -4.288
70 HZ1 LYS 11 HZ1 LYS 11 -0.505 -8.678 -6.370
71 HZ2 LYS 11 HZ2 LYS 11 0.581 -7.683 -7.175
72 HZ3 LYS 11 HZ3 LYS 11 -0.826 -7.038 -6.517
73 H HIS 12 H HIS 12 3.392 -2.485 -0.690
74 HA HIS 12 HA HIS 12 5.428 -0.952 -2.124
75 HB2 HIS 12 HB2 HIS 12 2.659 -0.036 -1.375
76 HB3 HIS 12 HB3 HIS 12 3.892 1.067 -1.930
77 HD1 HIS 12 HD1 HIS 12 4.619 0.701 -4.558
78 HD2 HIS 12 HD2 HIS 12 1.313 -1.381 -3.183
79 HE1 HIS 12 HE1 HIS 12 3.507 -0.251 -6.604
80 HA PRO 13 HA PRO 13 5.261 -0.936 2.720
81 HB2 PRO 13 HB2 PRO 13 7.671 -2.052 3.273
82 HB3 PRO 13 HB3 PRO 13 6.196 -3.001 3.053
83 HG2 PRO 13 HG2 PRO 13 8.388 -2.433 1.092
84 HG3 PRO 13 HG3 PRO 13 7.577 -3.971 1.445
85 HD2 PRO 13 HD2 PRO 13 6.922 -2.483 -0.689
86 HD3 PRO 13 HD3 PRO 13 5.706 -3.411 0.210
87 H ASP 14 H ASP 14 7.544 0.158 0.374
88 HA ASP 14 HA ASP 14 9.123 1.715 2.208
89 HB2 ASP 14 HB2 ASP 14 10.078 1.027 0.038
90 HB3 ASP 14 HB3 ASP 14 8.874 2.011 -0.791
91 H LEU 15 H LEU 15 6.453 2.378 0.040
92 HA LEU 15 HA LEU 15 6.425 5.056 1.027
93 HB2 LEU 15 HB2 LEU 15 4.572 5.521 -0.614
94 HB3 LEU 15 HB3 LEU 15 6.120 5.124 -1.305
95 HG LEU 15 HG LEU 15 3.979 3.016 -1.070
96 HD11 LEU 15 HD11 LEU 15 3.257 3.637 -3.334
97 HD12 LEU 15 HD12 LEU 15 4.333 5.033 -3.299
98 HD13 LEU 15 HD13 LEU 15 2.961 4.948 -2.195
99 HD21 LEU 15 HD21 LEU 15 6.299 3.487 -2.951
100 HD22 LEU 15 HD22 LEU 15 5.136 2.191 -3.113
101 HD23 LEU 15 HD23 LEU 15 6.208 2.227 -1.718
102 H CYS 16 H CYS 16 4.405 2.166 1.080
103 HA CYS 16 HA CYS 16 2.460 3.478 2.700
104 HB2 CYS 16 HB2 CYS 16 2.765 0.653 1.700
105 HB3 CYS 16 HB3 CYS 16 1.365 1.323 2.521
106 HN1 NH2 17 HN1 NH2 17 3.626 3.896 4.559
107 HN2 NH2 17 HN2 NH2 17 4.250 2.661 5.600
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -6.849 6.143 -2.181
2 H2 GLY 1 H2 GLY 1 -5.887 7.505 -1.838
3 H3 GLY 1 H3 GLY 1 -5.486 5.963 -1.234
4 HA2 GLY 1 HA2 GLY 1 -5.539 6.569 -4.092
5 HA3 GLY 1 HA3 GLY 1 -4.082 6.590 -3.104
6 H CYS 2 H CYS 2 -3.241 4.819 -4.350
7 HA CYS 2 HA CYS 2 -4.697 2.305 -4.335
8 HB2 CYS 2 HB2 CYS 2 -3.007 3.213 -6.116
9 HB3 CYS 2 HB3 CYS 2 -1.802 2.654 -5.004
10 H CYS 3 H CYS 3 -1.981 3.797 -2.847
11 HA CYS 3 HA CYS 3 -1.088 1.471 -1.439
12 HB2 CYS 3 HB2 CYS 3 0.327 3.521 -2.139
13 HB3 CYS 3 HB3 CYS 3 -0.278 4.258 -0.662
14 H SER 4 H SER 4 -3.696 3.525 -0.783
15 HA SER 4 HA SER 4 -3.569 3.027 2.032
16 HB2 SER 4 HB2 SER 4 -5.903 4.117 1.846
17 HB3 SER 4 HB3 SER 4 -4.493 5.132 1.520
18 HG SER 4 HG SER 4 -6.499 4.247 -0.147
19 H ASP 5 H ASP 5 -4.512 1.428 -0.774
20 HA ASP 5 HA ASP 5 -6.572 -0.162 0.544
21 HB2 ASP 5 HB2 ASP 5 -7.018 0.627 -1.762
22 HB3 ASP 5 HB3 ASP 5 -5.572 -0.200 -2.323
23 HA PRO 6 HA PRO 6 -3.442 -2.839 2.101
24 HB2 PRO 6 HB2 PRO 6 -5.116 -5.161 2.070
25 HB3 PRO 6 HB3 PRO 6 -4.695 -4.131 3.434
26 HG2 PRO 6 HG2 PRO 6 -7.129 -4.119 1.771
27 HG3 PRO 6 HG3 PRO 6 -6.891 -3.508 3.409
28 HD2 PRO 6 HD2 PRO 6 -7.213 -1.926 1.231
29 HD3 PRO 6 HD3 PRO 6 -6.286 -1.421 2.656
30 HA PRO 7 HA PRO 7 -2.965 -6.405 -1.155
31 HB2 PRO 7 HB2 PRO 7 -4.754 -5.434 -3.331
32 HB3 PRO 7 HB3 PRO 7 -4.398 -7.091 -2.825
33 HG2 PRO 7 HG2 PRO 7 -6.714 -6.022 -2.184
34 HG3 PRO 7 HG3 PRO 7 -5.819 -6.964 -0.977
35 HD2 PRO 7 HD2 PRO 7 -6.032 -3.984 -1.256
36 HD3 PRO 7 HD3 PRO 7 -6.146 -4.992 0.204
37 H CYS 8 H CYS 8 -3.541 -3.094 -2.105
38 HA CYS 8 HA CYS 8 -1.394 -3.200 -4.052
39 HB2 CYS 8 HB2 CYS 8 -3.374 -1.812 -4.559
40 HB3 CYS 8 HB3 CYS 8 -3.067 -0.843 -3.124
41 H ARG 9 H ARG 9 -2.065 -1.867 -0.885
42 HA ARG 9 HA ARG 9 0.241 -0.353 -0.372
43 HB2 ARG 9 HB2 ARG 9 -1.919 -0.641 0.942
44 HB3 ARG 9 HB3 ARG 9 -1.207 -2.082 1.571
45 HG2 ARG 9 HG2 ARG 9 0.612 -0.927 2.589
46 HG3 ARG 9 HG3 ARG 9 0.092 0.597 1.868
47 HD2 ARG 9 HD2 ARG 9 -0.608 0.463 4.220
48 HD3 ARG 9 HD3 ARG 9 -1.995 0.505 3.131
49 HE ARG 9 HE ARG 9 -0.971 -2.037 4.120
50 HH11 ARG 9 HH11 ARG 9 -3.672 0.294 3.970
51 HH12 ARG 9 HH12 ARG 9 -4.790 -0.738 4.704
52 HH21 ARG 9 HH21 ARG 9 -2.545 -3.448 5.133
53 HH22 ARG 9 HH22 ARG 9 -4.138 -2.924 5.383
54 H ASN 10 H ASN 10 -0.461 -3.682 0.121
55 HA ASN 10 HA ASN 10 1.921 -4.568 1.304
56 HB2 ASN 10 HB2 ASN 10 0.039 -6.048 -0.502
57 HB3 ASN 10 HB3 ASN 10 1.529 -6.809 0.034
58 HD21 ASN 10 HD21 ASN 10 1.761 -7.327 2.186
59 HD22 ASN 10 HD22 ASN 10 0.425 -7.391 3.276
60 H LYS 11 H LYS 11 1.521 -3.612 -1.981
61 HA LYS 11 HA LYS 11 4.031 -4.784 -2.788
62 HB2 LYS 11 HB2 LYS 11 1.981 -3.112 -4.213
63 HB3 LYS 11 HB3 LYS 11 3.400 -3.763 -4.950
64 HG2 LYS 11 HG2 LYS 11 2.632 -6.062 -4.424
65 HG3 LYS 11 HG3 LYS 11 1.176 -5.379 -3.704
66 HD2 LYS 11 HD2 LYS 11 0.568 -4.416 -5.868
67 HD3 LYS 11 HD3 LYS 11 2.023 -5.108 -6.584
68 HE2 LYS 11 HE2 LYS 11 0.116 -6.519 -7.082
69 HE3 LYS 11 HE3 LYS 11 1.222 -7.358 -5.998
70 HZ1 LYS 11 HZ1 LYS 11 -1.067 -7.657 -5.303
71 HZ2 LYS 11 HZ2 LYS 11 -1.287 -5.992 -5.206
72 HZ3 LYS 11 HZ3 LYS 11 -0.248 -6.758 -4.139
73 H HIS 12 H HIS 12 3.059 -2.114 -1.111
74 HA HIS 12 HA HIS 12 5.282 -0.497 -2.123
75 HB2 HIS 12 HB2 HIS 12 2.482 0.481 -1.572
76 HB3 HIS 12 HB3 HIS 12 3.827 1.538 -1.932
77 HD1 HIS 12 HD1 HIS 12 4.751 1.354 -4.509
78 HD2 HIS 12 HD2 HIS 12 1.247 -0.677 -3.617
79 HE1 HIS 12 HE1 HIS 12 3.763 0.644 -6.720
80 HA PRO 13 HA PRO 13 4.900 -0.581 2.635
81 HB2 PRO 13 HB2 PRO 13 6.949 -2.191 3.333
82 HB3 PRO 13 HB3 PRO 13 5.354 -2.847 2.947
83 HG2 PRO 13 HG2 PRO 13 7.814 -2.729 1.260
84 HG3 PRO 13 HG3 PRO 13 6.629 -4.035 1.425
85 HD2 PRO 13 HD2 PRO 13 6.683 -2.246 -0.658
86 HD3 PRO 13 HD3 PRO 13 5.232 -3.114 -0.128
87 H ASP 14 H ASP 14 6.828 0.254 0.276
88 HA ASP 14 HA ASP 14 9.191 1.286 1.427
89 HB2 ASP 14 HB2 ASP 14 8.960 0.880 -0.975
90 HB3 ASP 14 HB3 ASP 14 7.705 2.106 -1.075
91 H LEU 15 H LEU 15 6.340 3.039 0.202
92 HA LEU 15 HA LEU 15 7.030 5.187 1.943
93 HB2 LEU 15 HB2 LEU 15 5.421 6.580 0.818
94 HB3 LEU 15 HB3 LEU 15 6.372 5.742 -0.377
95 HG LEU 15 HG LEU 15 3.530 5.021 0.393
96 HD11 LEU 15 HD11 LEU 15 4.577 6.510 -2.003
97 HD12 LEU 15 HD12 LEU 15 3.615 7.186 -0.685
98 HD13 LEU 15 HD13 LEU 15 2.913 5.980 -1.763
99 HD21 LEU 15 HD21 LEU 15 4.654 3.085 -0.492
100 HD22 LEU 15 HD22 LEU 15 5.328 4.037 -1.810
101 HD23 LEU 15 HD23 LEU 15 3.591 3.734 -1.743
102 H CYS 16 H CYS 16 4.502 2.723 1.626
103 HA CYS 16 HA CYS 16 3.154 3.804 3.899
104 HB2 CYS 16 HB2 CYS 16 2.592 1.521 2.033
105 HB3 CYS 16 HB3 CYS 16 1.571 2.002 3.376
106 HN1 NH2 17 HN1 NH2 17 4.670 3.360 5.487
107 HN2 NH2 17 HN2 NH2 17 5.066 1.758 6.003