NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
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11294 |
1r8t   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ARG 1 HT1 ARG 1 -4.333 2.907 6.678
2 2H ARG 1 HT2 ARG 1 -4.368 1.194 6.782
3 3H ARG 1 HT3 ARG 1 -5.703 2.043 6.118
4 HA ARG 1 HA ARG 1 -4.449 1.056 4.393
5 1HB ARG 1 HB2 ARG 1 -4.039 4.049 4.577
6 2HB ARG 1 HB1 ARG 1 -4.026 3.101 3.096
7 1HG ARG 1 HG2 ARG 1 -6.163 3.790 2.981
8 2HG ARG 1 HG1 ARG 1 -6.435 2.407 4.044
9 1HD ARG 1 HD2 ARG 1 -7.478 3.966 5.308
10 2HD ARG 1 HD1 ARG 1 -5.837 4.261 5.881
11 HE ARG 1 HE ARG 1 -6.165 5.893 3.691
12 1HH1 ARG 1 HH11 ARG 1 -7.728 5.485 6.785
13 2HH1 ARG 1 HH12 ARG 1 -8.198 7.147 6.907
14 1HH2 ARG 1 HH21 ARG 1 -6.783 8.079 3.850
15 2HH2 ARG 1 HH22 ARG 1 -7.663 8.620 5.241
16 H CYS 2 HN CYS 2 -2.463 0.999 3.155
17 HA CYS 2 HA CYS 2 -0.043 1.885 4.512
18 1HB CYS 2 HB2 CYS 2 -0.735 -0.506 5.251
19 2HB CYS 2 HB1 CYS 2 -0.207 -0.987 3.638
20 H CYS 3 HN CYS 3 -0.274 3.267 2.547
21 HA CYS 3 HA CYS 3 0.481 1.920 0.061
22 1HB CYS 3 HB2 CYS 3 -1.383 3.684 0.221
23 2HB CYS 3 HB1 CYS 3 -0.081 4.864 0.370
24 H HIS 4 HN HIS 4 2.311 2.319 2.378
25 HA HIS 4 HA HIS 4 4.275 4.170 1.261
26 1HB HIS 4 HB2 HIS 4 5.136 2.844 3.683
27 2HB HIS 4 HB1 HIS 4 4.910 4.559 3.367
28 HD1 HIS 4 HD1 HIS 4 1.891 4.744 3.101
29 HD2 HIS 4 HD2 HIS 4 3.806 2.461 5.989
30 HE1 HIS 4 HE1 HIS 4 0.215 4.470 4.956
31 HE2 HIS 4 HE2 HIS 4 1.430 3.163 6.736
32 HA PRO 5 HA PRO 5 6.996 1.027 -0.222
33 1HB PRO 5 HB2 PRO 5 9.465 1.760 0.685
34 2HB PRO 5 HB1 PRO 5 8.635 2.734 -0.544
35 1HG PRO 5 HG2 PRO 5 8.792 3.154 2.423
36 2HG PRO 5 HG1 PRO 5 8.990 4.331 1.110
37 1HD PRO 5 HD2 PRO 5 6.685 4.109 2.488
38 2HD PRO 5 HD1 PRO 5 6.708 4.513 0.758
39 H GLN 6 HN GLN 6 6.571 1.408 3.131
40 HA GLN 6 HA GLN 6 8.306 -0.686 4.009
41 1HB GLN 6 HB2 GLN 6 5.892 0.468 5.417
42 2HB GLN 6 HB1 GLN 6 7.201 -0.453 6.154
43 1HG GLN 6 HG2 GLN 6 7.884 2.042 4.696
44 2HG GLN 6 HG1 GLN 6 7.108 2.176 6.273
45 1HE2 GLN 6 HE21 GLN 6 9.824 2.882 5.384
46 2HE2 GLN 6 HE22 GLN 6 10.894 2.029 6.438
47 H CYS 7 HN CYS 7 5.120 -0.538 2.669
48 HA CYS 7 HA CYS 7 4.554 -3.293 3.493
49 1HB CYS 7 HB2 CYS 7 2.896 -0.994 2.595
50 2HB CYS 7 HB1 CYS 7 2.333 -2.608 2.161
51 H GLY 8 HN GLY 8 5.405 -1.365 0.735
52 1HA GLY 8 HA2 GLY 8 5.823 -1.890 -1.455
53 2HA GLY 8 HA1 GLY 8 6.292 -3.462 -0.820
54 H ALA 9 HN ALA 9 5.476 -4.716 -2.442
55 HA ALA 9 HA ALA 9 3.169 -4.477 -3.876
56 1HB ALA 9 HB1 ALA 9 5.091 -6.314 -3.814
57 2HB ALA 9 HB2 ALA 9 3.538 -6.596 -4.601
58 3HB ALA 9 HB3 ALA 9 3.831 -7.221 -2.978
59 H ALA 10 HN ALA 10 3.469 -5.452 -0.545
60 HA ALA 10 HA ALA 10 0.686 -6.320 -0.430
61 1HB ALA 10 HB1 ALA 10 2.744 -6.242 1.773
62 2HB ALA 10 HB2 ALA 10 2.428 -7.630 0.731
63 3HB ALA 10 HB3 ALA 10 1.173 -7.042 1.822
64 H TYR 11 HN TYR 11 0.982 -3.616 -1.068
65 HA TYR 11 HA TYR 11 0.575 -2.093 1.369
66 1HB TYR 11 HB2 TYR 11 0.128 -0.214 -0.372
67 2HB TYR 11 HB1 TYR 11 1.767 -0.816 -0.164
68 HD1 TYR 11 HD1 TYR 11 -1.012 -2.413 -2.061
69 HD2 TYR 11 HD2 TYR 11 2.726 -0.391 -2.251
70 HE1 TYR 11 HE1 TYR 11 -0.885 -2.888 -4.469
71 HE2 TYR 11 HE2 TYR 11 2.863 -0.861 -4.661
72 HH TYR 11 HH TYR 11 1.919 -2.571 -6.260
73 H SER 12 HN SER 12 -1.315 -0.334 0.995
74 HA SER 12 HA SER 12 -3.740 -1.702 0.096
75 1HB SER 12 HB2 SER 12 -3.108 -0.877 2.893
76 2HB SER 12 HB1 SER 12 -4.764 -0.651 2.319
77 HG SER 12 HG SER 12 -4.656 -2.919 1.677
78 H CYS 13 HN CYS 13 -2.549 0.274 -1.313
79 HA CYS 13 HA CYS 13 -3.280 2.904 -0.681
80 1HB CYS 13 HB2 CYS 13 -3.006 1.746 -3.459
81 2HB CYS 13 HB1 CYS 13 -2.819 3.433 -2.990
82 H ARG 14 HN ARG 14 -5.027 0.322 -2.295
83 HA ARG 14 HA ARG 14 -7.530 1.655 -1.827
84 1HB ARG 14 HB2 ARG 14 -8.241 1.620 -4.211
85 2HB ARG 14 HB1 ARG 14 -6.956 2.775 -3.881
86 1HG ARG 14 HG2 ARG 14 -5.375 0.883 -4.647
87 2HG ARG 14 HG1 ARG 14 -6.828 0.184 -5.365
88 1HD ARG 14 HD2 ARG 14 -5.753 1.493 -7.043
89 2HD ARG 14 HD1 ARG 14 -7.200 2.361 -6.533
90 HE ARG 14 HE ARG 14 -5.870 4.044 -5.728
91 1HH1 ARG 14 HH11 ARG 14 -3.897 1.233 -6.343
92 2HH1 ARG 14 HH12 ARG 14 -2.403 2.070 -6.084
93 1HH2 ARG 14 HH21 ARG 14 -3.906 5.147 -5.388
94 2HH2 ARG 14 HH22 ARG 14 -2.408 4.292 -5.541
95 H LYS 15 HN LYS 15 -5.933 -0.940 -3.661
96 HA LYS 15 HA LYS 15 -7.782 -2.855 -2.456
97 1HB LYS 15 HB2 LYS 15 -7.313 -2.579 -5.428
98 2HB LYS 15 HB1 LYS 15 -8.080 -3.973 -4.681
99 1HG LYS 15 HG2 LYS 15 -9.954 -2.723 -4.016
100 2HG LYS 15 HG1 LYS 15 -9.135 -1.188 -4.316
101 1HD LYS 15 HD2 LYS 15 -8.989 -2.069 -6.767
102 2HD LYS 15 HD1 LYS 15 -10.308 -3.128 -6.265
103 1HE LYS 15 HE2 LYS 15 -10.569 -0.268 -5.567
104 2HE LYS 15 HE1 LYS 15 -10.685 -0.670 -7.279
105 1HZ LYS 15 HZ1 LYS 15 -12.401 -1.603 -5.059
106 2HZ LYS 15 HZ2 LYS 15 -12.360 -2.408 -6.546
107 3HZ LYS 15 HZ3 LYS 15 -12.858 -0.793 -6.473
Start of MODEL 2
1 1H ARG 1 HT1 ARG 1 -2.995 -2.419 4.904
2 2H ARG 1 HT2 ARG 1 -4.641 -2.541 5.375
3 3H ARG 1 HT3 ARG 1 -3.398 -2.647 6.554
4 HA ARG 1 HA ARG 1 -4.339 -0.322 5.046
5 1HB ARG 1 HB2 ARG 1 -3.730 -0.704 7.979
6 2HB ARG 1 HB1 ARG 1 -4.647 0.599 7.236
7 1HG ARG 1 HG2 ARG 1 -6.429 -0.587 7.876
8 2HG ARG 1 HG1 ARG 1 -6.081 -1.564 6.448
9 1HD ARG 1 HD2 ARG 1 -4.559 -2.309 8.843
10 2HD ARG 1 HD1 ARG 1 -6.302 -2.529 8.986
11 HE ARG 1 HE ARG 1 -5.738 -3.672 6.605
12 1HH1 ARG 1 HH11 ARG 1 -4.394 -4.054 9.803
13 2HH1 ARG 1 HH12 ARG 1 -3.964 -5.714 9.560
14 1HH2 ARG 1 HH21 ARG 1 -5.173 -5.855 6.283
15 2HH2 ARG 1 HH22 ARG 1 -4.406 -6.736 7.562
16 H CYS 2 HN CYS 2 -2.275 -0.351 3.818
17 HA CYS 2 HA CYS 2 -0.373 1.392 5.083
18 1HB CYS 2 HB2 CYS 2 1.592 -0.074 4.617
19 2HB CYS 2 HB1 CYS 2 0.534 -0.693 5.886
20 H CYS 3 HN CYS 3 0.006 2.879 3.590
21 HA CYS 3 HA CYS 3 0.148 2.034 0.770
22 1HB CYS 3 HB2 CYS 3 -1.835 3.454 1.370
23 2HB CYS 3 HB1 CYS 3 -0.712 4.752 1.775
24 H HIS 4 HN HIS 4 2.305 2.240 2.780
25 HA HIS 4 HA HIS 4 3.915 4.371 1.546
26 1HB HIS 4 HB2 HIS 4 5.349 3.509 3.756
27 2HB HIS 4 HB1 HIS 4 4.359 4.958 3.664
28 HD1 HIS 4 HD1 HIS 4 3.493 1.285 4.265
29 HD2 HIS 4 HD2 HIS 4 2.905 5.054 5.895
30 HE1 HIS 4 HE1 HIS 4 2.042 0.921 6.288
31 HE2 HIS 4 HE2 HIS 4 1.611 3.231 7.199
32 HA PRO 5 HA PRO 5 6.790 1.529 -0.197
33 1HB PRO 5 HB2 PRO 5 9.255 2.277 0.787
34 2HB PRO 5 HB1 PRO 5 8.426 3.227 -0.457
35 1HG PRO 5 HG2 PRO 5 8.521 3.651 2.510
36 2HG PRO 5 HG1 PRO 5 8.679 4.836 1.198
37 1HD PRO 5 HD2 PRO 5 6.385 4.563 2.541
38 2HD PRO 5 HD1 PRO 5 6.388 4.880 0.794
39 H GLN 6 HN GLN 6 6.555 1.712 3.225
40 HA GLN 6 HA GLN 6 8.341 -0.324 3.977
41 1HB GLN 6 HB2 GLN 6 5.725 0.449 5.287
42 2HB GLN 6 HB1 GLN 6 7.026 -0.473 6.038
43 1HG GLN 6 HG2 GLN 6 7.145 2.395 5.131
44 2HG GLN 6 HG1 GLN 6 7.082 1.813 6.794
45 1HE2 GLN 6 HE21 GLN 6 8.937 1.546 7.815
46 2HE2 GLN 6 HE22 GLN 6 10.496 1.459 7.076
47 H CYS 7 HN CYS 7 5.110 -0.393 2.656
48 HA CYS 7 HA CYS 7 4.903 -3.280 3.051
49 1HB CYS 7 HB2 CYS 7 3.012 -1.084 2.505
50 2HB CYS 7 HB1 CYS 7 2.660 -2.591 1.659
51 H GLY 8 HN GLY 8 5.688 -0.962 0.617
52 1HA GLY 8 HA2 GLY 8 6.344 -1.181 -1.561
53 2HA GLY 8 HA1 GLY 8 6.673 -2.863 -1.170
54 H ALA 9 HN ALA 9 5.889 -3.844 -2.968
55 HA ALA 9 HA ALA 9 3.569 -3.130 -4.362
56 1HB ALA 9 HB1 ALA 9 3.729 -5.641 -5.099
57 2HB ALA 9 HB2 ALA 9 5.278 -5.567 -4.258
58 3HB ALA 9 HB3 ALA 9 4.951 -4.473 -5.602
59 H ALA 10 HN ALA 10 3.908 -4.730 -1.354
60 HA ALA 10 HA ALA 10 1.289 -6.002 -1.534
61 1HB ALA 10 HB1 ALA 10 1.849 -7.226 0.352
62 2HB ALA 10 HB2 ALA 10 3.006 -6.020 0.916
63 3HB ALA 10 HB3 ALA 10 3.400 -7.041 -0.468
64 H TYR 11 HN TYR 11 1.626 -3.036 -1.467
65 HA TYR 11 HA TYR 11 0.797 -2.129 1.105
66 1HB TYR 11 HB2 TYR 11 0.080 -0.050 -0.299
67 2HB TYR 11 HB1 TYR 11 1.788 -0.427 -0.120
68 HD1 TYR 11 HD1 TYR 11 2.624 0.611 -2.067
69 HD2 TYR 11 HD2 TYR 11 -0.582 -2.169 -2.382
70 HE1 TYR 11 HE1 TYR 11 2.880 0.600 -4.513
71 HE2 TYR 11 HE2 TYR 11 -0.334 -2.188 -4.827
72 HH TYR 11 HH TYR 11 0.644 -0.427 -6.592
73 H SER 12 HN SER 12 -1.324 -0.607 0.991
74 HA SER 12 HA SER 12 -3.532 -1.988 -0.299
75 1HB SER 12 HB2 SER 12 -4.707 -2.577 1.652
76 2HB SER 12 HB1 SER 12 -3.043 -3.055 2.004
77 HG SER 12 HG SER 12 -4.462 -1.600 3.519
78 H CYS 13 HN CYS 13 -2.730 0.433 -1.030
79 HA CYS 13 HA CYS 13 -3.712 2.638 0.384
80 1HB CYS 13 HB2 CYS 13 -3.519 2.394 -2.621
81 2HB CYS 13 HB1 CYS 13 -3.491 3.878 -1.674
82 H ARG 14 HN ARG 14 -5.159 1.268 -2.560
83 HA ARG 14 HA ARG 14 -7.789 1.243 -1.404
84 1HB ARG 14 HB2 ARG 14 -7.132 3.677 -2.270
85 2HB ARG 14 HB1 ARG 14 -7.625 2.989 -3.811
86 1HG ARG 14 HG2 ARG 14 -9.810 2.898 -3.231
87 2HG ARG 14 HG1 ARG 14 -9.461 2.588 -1.529
88 1HD ARG 14 HD2 ARG 14 -8.499 5.092 -1.761
89 2HD ARG 14 HD1 ARG 14 -9.777 5.143 -2.974
90 HE ARG 14 HE ARG 14 -11.287 5.218 -1.274
91 1HH1 ARG 14 HH11 ARG 14 -8.341 3.812 -0.042
92 2HH1 ARG 14 HH12 ARG 14 -8.921 3.714 1.586
93 1HH2 ARG 14 HH21 ARG 14 -12.052 5.091 0.867
94 2HH2 ARG 14 HH22 ARG 14 -11.028 4.440 2.103
95 H LYS 15 HN LYS 15 -7.462 -0.971 -2.044
96 HA LYS 15 HA LYS 15 -8.560 -1.521 -4.628
97 1HB LYS 15 HB2 LYS 15 -5.657 -2.037 -4.084
98 2HB LYS 15 HB1 LYS 15 -6.554 -3.119 -5.141
99 1HG LYS 15 HG2 LYS 15 -7.256 -0.823 -6.267
100 2HG LYS 15 HG1 LYS 15 -5.723 -0.308 -5.561
101 1HD LYS 15 HD2 LYS 15 -5.005 -2.675 -6.664
102 2HD LYS 15 HD1 LYS 15 -6.258 -2.152 -7.791
103 1HE LYS 15 HE2 LYS 15 -4.917 0.142 -7.572
104 2HE LYS 15 HE1 LYS 15 -3.600 -0.975 -7.216
105 1HZ LYS 15 HZ1 LYS 15 -4.521 -2.158 -9.344
106 2HZ LYS 15 HZ2 LYS 15 -3.451 -0.855 -9.472
107 3HZ LYS 15 HZ3 LYS 15 -5.109 -0.611 -9.700
Start of MODEL 3
1 1H ARG 1 HT1 ARG 1 -5.268 2.150 6.498
2 2H ARG 1 HT2 ARG 1 -3.820 2.202 7.418
3 3H ARG 1 HT3 ARG 1 -4.195 0.813 6.483
4 HA ARG 1 HA ARG 1 -4.067 2.141 4.486
5 1HB ARG 1 HB2 ARG 1 -3.420 4.229 6.549
6 2HB ARG 1 HB1 ARG 1 -2.808 4.379 4.908
7 1HG ARG 1 HG2 ARG 1 -4.718 5.515 4.589
8 2HG ARG 1 HG1 ARG 1 -5.403 3.901 4.393
9 1HD ARG 1 HD2 ARG 1 -5.673 4.043 6.998
10 2HD ARG 1 HD1 ARG 1 -5.587 5.779 6.703
11 HE ARG 1 HE ARG 1 -7.474 4.413 5.020
12 1HH1 ARG 1 HH11 ARG 1 -6.991 5.951 8.116
13 2HH1 ARG 1 HH12 ARG 1 -8.670 6.311 8.339
14 1HH2 ARG 1 HH21 ARG 1 -9.683 4.886 5.312
15 2HH2 ARG 1 HH22 ARG 1 -10.198 5.707 6.748
16 H CYS 2 HN CYS 2 -2.391 1.262 3.473
17 HA CYS 2 HA CYS 2 0.260 1.369 4.703
18 1HB CYS 2 HB2 CYS 2 -1.116 -0.890 5.037
19 2HB CYS 2 HB1 CYS 2 -0.507 -1.206 3.413
20 H CYS 3 HN CYS 3 -0.308 3.050 2.768
21 HA CYS 3 HA CYS 3 0.470 1.843 0.216
22 1HB CYS 3 HB2 CYS 3 -1.503 3.460 0.450
23 2HB CYS 3 HB1 CYS 3 -0.293 4.726 0.659
24 H HIS 4 HN HIS 4 2.338 2.198 2.459
25 HA HIS 4 HA HIS 4 4.133 4.278 1.476
26 1HB HIS 4 HB2 HIS 4 5.180 2.739 3.696
27 2HB HIS 4 HB1 HIS 4 4.852 4.463 3.585
28 HD1 HIS 4 HD1 HIS 4 1.815 4.497 3.447
29 HD2 HIS 4 HD2 HIS 4 3.975 2.040 5.999
30 HE1 HIS 4 HE1 HIS 4 0.238 3.928 5.322
31 HE2 HIS 4 HE2 HIS 4 1.597 2.514 6.903
32 HA PRO 5 HA PRO 5 6.989 1.534 -0.469
33 1HB PRO 5 HB2 PRO 5 9.442 2.301 0.461
34 2HB PRO 5 HB1 PRO 5 8.518 3.360 -0.620
35 1HG PRO 5 HG2 PRO 5 8.747 3.433 2.371
36 2HG PRO 5 HG1 PRO 5 8.829 4.768 1.205
37 1HD PRO 5 HD2 PRO 5 6.591 4.240 2.606
38 2HD PRO 5 HD1 PRO 5 6.528 4.841 0.936
39 H GLN 6 HN GLN 6 6.689 1.475 2.925
40 HA GLN 6 HA GLN 6 8.511 -0.730 3.344
41 1HB GLN 6 HB2 GLN 6 7.649 1.201 4.999
42 2HB GLN 6 HB1 GLN 6 6.464 -0.044 5.385
43 1HG GLN 6 HG2 GLN 6 7.976 -0.763 6.851
44 2HG GLN 6 HG1 GLN 6 8.797 -1.451 5.450
45 1HE2 GLN 6 HE21 GLN 6 8.487 1.836 6.753
46 2HE2 GLN 6 HE22 GLN 6 10.184 2.152 6.824
47 H CYS 7 HN CYS 7 5.158 -0.256 2.603
48 HA CYS 7 HA CYS 7 4.321 -2.878 3.432
49 1HB CYS 7 HB2 CYS 7 2.856 -0.987 1.591
50 2HB CYS 7 HB1 CYS 7 2.178 -2.267 2.592
51 H GLY 8 HN GLY 8 5.490 -1.368 0.513
52 1HA GLY 8 HA2 GLY 8 5.970 -2.190 -1.570
53 2HA GLY 8 HA1 GLY 8 6.268 -3.706 -0.731
54 H ALA 9 HN ALA 9 5.434 -5.049 -2.281
55 HA ALA 9 HA ALA 9 3.150 -4.744 -3.786
56 1HB ALA 9 HB1 ALA 9 3.148 -7.171 -4.046
57 2HB ALA 9 HB2 ALA 9 4.257 -7.322 -2.683
58 3HB ALA 9 HB3 ALA 9 4.782 -6.516 -4.161
59 H ALA 10 HN ALA 10 3.400 -5.497 -0.412
60 HA ALA 10 HA ALA 10 0.619 -6.365 -0.262
61 1HB ALA 10 HB1 ALA 10 2.783 -7.210 1.096
62 2HB ALA 10 HB2 ALA 10 1.133 -7.345 1.703
63 3HB ALA 10 HB3 ALA 10 2.158 -6.009 2.226
64 H TYR 11 HN TYR 11 1.053 -3.670 -1.080
65 HA TYR 11 HA TYR 11 0.674 -1.916 1.150
66 1HB TYR 11 HB2 TYR 11 0.028 -0.265 -0.707
67 2HB TYR 11 HB1 TYR 11 1.671 -0.892 -0.719
68 HD1 TYR 11 HD1 TYR 11 -1.653 -1.979 -2.068
69 HD2 TYR 11 HD2 TYR 11 2.488 -1.354 -2.817
70 HE1 TYR 11 HE1 TYR 11 -1.965 -2.733 -4.386
71 HE2 TYR 11 HE2 TYR 11 2.187 -2.105 -5.138
72 HH TYR 11 HH TYR 11 0.417 -2.314 -6.792
73 H SER 12 HN SER 12 -1.319 -0.278 0.756
74 HA SER 12 HA SER 12 -3.772 -1.724 0.178
75 1HB SER 12 HB2 SER 12 -4.734 -1.586 2.308
76 2HB SER 12 HB1 SER 12 -3.067 -2.053 2.661
77 HG SER 12 HG SER 12 -3.418 -0.375 3.989
78 H CYS 13 HN CYS 13 -2.741 0.305 -1.284
79 HA CYS 13 HA CYS 13 -3.592 2.890 -0.492
80 1HB CYS 13 HB2 CYS 13 -3.254 1.988 -3.348
81 2HB CYS 13 HB1 CYS 13 -3.008 3.597 -2.678
82 H ARG 14 HN ARG 14 -5.138 0.251 -2.194
83 HA ARG 14 HA ARG 14 -7.723 1.438 -1.788
84 1HB ARG 14 HB2 ARG 14 -6.564 2.262 -4.070
85 2HB ARG 14 HB1 ARG 14 -7.279 0.760 -4.641
86 1HG ARG 14 HG2 ARG 14 -9.465 1.564 -3.697
87 2HG ARG 14 HG1 ARG 14 -8.685 3.125 -3.433
88 1HD ARG 14 HD2 ARG 14 -8.110 3.150 -5.869
89 2HD ARG 14 HD1 ARG 14 -9.106 1.708 -6.059
90 HE ARG 14 HE ARG 14 -10.603 3.723 -4.786
91 1HH1 ARG 14 HH11 ARG 14 -9.243 2.935 -7.902
92 2HH1 ARG 14 HH12 ARG 14 -10.440 3.819 -8.787
93 1HH2 ARG 14 HH21 ARG 14 -12.178 4.886 -5.949
94 2HH2 ARG 14 HH22 ARG 14 -12.106 4.927 -7.679
95 H LYS 15 HN LYS 15 -6.351 -0.923 -4.084
96 HA LYS 15 HA LYS 15 -7.847 -3.035 -2.694
97 1HB LYS 15 HB2 LYS 15 -8.422 -4.022 -4.903
98 2HB LYS 15 HB1 LYS 15 -9.187 -2.465 -4.615
99 1HG LYS 15 HG2 LYS 15 -8.476 -2.036 -6.701
100 2HG LYS 15 HG1 LYS 15 -6.957 -1.659 -5.885
101 1HD LYS 15 HD2 LYS 15 -6.549 -4.247 -6.194
102 2HD LYS 15 HD1 LYS 15 -7.709 -4.041 -7.508
103 1HE LYS 15 HE2 LYS 15 -5.877 -3.521 -8.709
104 2HE LYS 15 HE1 LYS 15 -6.074 -1.938 -7.958
105 1HZ LYS 15 HZ1 LYS 15 -3.795 -3.141 -7.871
106 2HZ LYS 15 HZ2 LYS 15 -4.487 -3.999 -6.587
107 3HZ LYS 15 HZ3 LYS 15 -4.356 -2.314 -6.505
Start of MODEL 4
1 1H ARG 1 HT1 ARG 1 -3.011 0.635 8.043
2 2H ARG 1 HT2 ARG 1 -3.346 -1.037 8.237
3 3H ARG 1 HT3 ARG 1 -4.609 0.052 7.834
4 HA ARG 1 HA ARG 1 -3.714 -1.357 6.009
5 1HB ARG 1 HB2 ARG 1 -4.075 1.604 6.061
6 2HB ARG 1 HB1 ARG 1 -3.511 0.871 4.566
7 1HG ARG 1 HG2 ARG 1 -5.472 -0.364 4.292
8 2HG ARG 1 HG1 ARG 1 -5.950 -0.147 5.977
9 1HD ARG 1 HD2 ARG 1 -5.620 2.314 4.377
10 2HD ARG 1 HD1 ARG 1 -6.979 1.278 3.944
11 HE ARG 1 HE ARG 1 -6.820 1.769 6.758
12 1HH1 ARG 1 HH11 ARG 1 -7.922 3.087 3.720
13 2HH1 ARG 1 HH12 ARG 1 -9.148 4.069 4.448
14 1HH2 ARG 1 HH21 ARG 1 -8.433 3.060 7.717
15 2HH2 ARG 1 HH22 ARG 1 -9.438 4.055 6.717
16 H CYS 2 HN CYS 2 -2.149 -1.001 4.129
17 HA CYS 2 HA CYS 2 0.489 -0.124 5.071
18 1HB CYS 2 HB2 CYS 2 -0.059 -2.733 5.109
19 2HB CYS 2 HB1 CYS 2 0.365 -2.591 3.403
20 H CYS 3 HN CYS 3 -0.856 1.539 3.548
21 HA CYS 3 HA CYS 3 -0.140 1.041 0.752
22 1HB CYS 3 HB2 CYS 3 -2.456 1.867 1.478
23 2HB CYS 3 HB1 CYS 3 -1.675 3.417 1.795
24 H HIS 4 HN HIS 4 1.844 1.661 2.832
25 HA HIS 4 HA HIS 4 2.742 4.335 2.086
26 1HB HIS 4 HB2 HIS 4 4.535 2.921 3.869
27 2HB HIS 4 HB1 HIS 4 3.679 4.438 4.113
28 HD1 HIS 4 HD1 HIS 4 0.795 3.490 4.276
29 HD2 HIS 4 HD2 HIS 4 3.966 1.536 6.106
30 HE1 HIS 4 HE1 HIS 4 -0.228 2.167 6.156
31 HE2 HIS 4 HE2 HIS 4 1.700 0.915 7.189
32 HA PRO 5 HA PRO 5 5.976 2.999 -0.602
33 1HB PRO 5 HB2 PRO 5 8.185 4.385 0.214
34 2HB PRO 5 HB1 PRO 5 6.827 5.227 -0.556
35 1HG PRO 5 HG2 PRO 5 7.472 4.936 2.360
36 2HG PRO 5 HG1 PRO 5 6.961 6.377 1.460
37 1HD PRO 5 HD2 PRO 5 5.233 4.944 2.947
38 2HD PRO 5 HD1 PRO 5 4.737 5.728 1.432
39 H GLN 6 HN GLN 6 6.225 2.351 2.734
40 HA GLN 6 HA GLN 6 8.678 0.832 2.558
41 1HB GLN 6 HB2 GLN 6 7.546 2.112 4.618
42 2HB GLN 6 HB1 GLN 6 6.840 0.518 4.875
43 1HG GLN 6 HG2 GLN 6 9.453 -0.108 4.471
44 2HG GLN 6 HG1 GLN 6 9.583 1.456 5.274
45 1HE2 GLN 6 HE21 GLN 6 9.501 -1.762 5.794
46 2HE2 GLN 6 HE22 GLN 6 8.922 -1.790 7.421
47 H CYS 7 HN CYS 7 5.272 0.278 2.243
48 HA CYS 7 HA CYS 7 5.418 -2.564 2.645
49 1HB CYS 7 HB2 CYS 7 3.181 -1.014 1.339
50 2HB CYS 7 HB1 CYS 7 3.089 -2.577 2.143
51 H GLY 8 HN GLY 8 5.611 -0.344 -0.040
52 1HA GLY 8 HA2 GLY 8 6.001 -0.650 -2.275
53 2HA GLY 8 HA1 GLY 8 6.872 -2.090 -1.767
54 H ALA 9 HN ALA 9 6.266 -3.389 -3.454
55 HA ALA 9 HA ALA 9 3.796 -3.633 -4.647
56 1HB ALA 9 HB1 ALA 9 5.758 -5.870 -4.162
57 2HB ALA 9 HB2 ALA 9 5.855 -4.692 -5.471
58 3HB ALA 9 HB3 ALA 9 4.504 -5.824 -5.401
59 H ALA 10 HN ALA 10 4.777 -4.749 -1.516
60 HA ALA 10 HA ALA 10 2.457 -6.499 -1.264
61 1HB ALA 10 HB1 ALA 10 4.943 -6.803 -0.319
62 2HB ALA 10 HB2 ALA 10 3.525 -7.516 0.451
63 3HB ALA 10 HB3 ALA 10 4.200 -6.008 1.070
64 H TYR 11 HN TYR 11 1.912 -3.720 -1.598
65 HA TYR 11 HA TYR 11 1.353 -2.538 0.948
66 1HB TYR 11 HB2 TYR 11 -0.048 -0.941 -0.494
67 2HB TYR 11 HB1 TYR 11 1.687 -0.979 -0.784
68 HD1 TYR 11 HD1 TYR 11 2.276 -0.833 -3.000
69 HD2 TYR 11 HD2 TYR 11 -1.304 -2.895 -1.982
70 HE1 TYR 11 HE1 TYR 11 1.871 -1.294 -5.381
71 HE2 TYR 11 HE2 TYR 11 -1.717 -3.363 -4.360
72 HH TYR 11 HH TYR 11 -1.068 -2.342 -6.577
73 H SER 12 HN SER 12 -1.084 -1.612 1.066
74 HA SER 12 HA SER 12 -3.027 -3.687 0.469
75 1HB SER 12 HB2 SER 12 -3.647 -4.187 2.670
76 2HB SER 12 HB1 SER 12 -1.885 -4.120 2.766
77 HG SER 12 HG SER 12 -3.752 -2.142 3.558
78 H CYS 13 HN CYS 13 -2.909 -1.241 -0.680
79 HA CYS 13 HA CYS 13 -4.384 0.775 0.659
80 1HB CYS 13 HB2 CYS 13 -4.229 0.458 -2.335
81 2HB CYS 13 HB1 CYS 13 -4.390 1.943 -1.404
82 H ARG 14 HN ARG 14 -6.443 1.642 -0.636
83 HA ARG 14 HA ARG 14 -8.286 -0.621 -1.017
84 1HB ARG 14 HB2 ARG 14 -8.348 0.872 1.222
85 2HB ARG 14 HB1 ARG 14 -9.377 1.858 0.192
86 1HG ARG 14 HG2 ARG 14 -9.889 -1.071 0.390
87 2HG ARG 14 HG1 ARG 14 -10.402 -0.005 1.699
88 1HD ARG 14 HD2 ARG 14 -12.270 0.207 0.463
89 2HD ARG 14 HD1 ARG 14 -11.305 1.370 -0.445
90 HE ARG 14 HE ARG 14 -10.758 -0.971 -1.678
91 1HH1 ARG 14 HH11 ARG 14 -13.741 0.627 -0.824
92 2HH1 ARG 14 HH12 ARG 14 -14.625 -0.039 -2.156
93 1HH2 ARG 14 HH21 ARG 14 -11.919 -1.848 -3.430
94 2HH2 ARG 14 HH22 ARG 14 -13.591 -1.444 -3.635
95 H LYS 15 HN LYS 15 -6.890 0.977 -2.984
96 HA LYS 15 HA LYS 15 -8.986 2.664 -4.123
97 1HB LYS 15 HB2 LYS 15 -6.123 2.196 -4.972
98 2HB LYS 15 HB1 LYS 15 -7.241 3.280 -5.789
99 1HG LYS 15 HG2 LYS 15 -7.452 4.293 -3.349
100 2HG LYS 15 HG1 LYS 15 -5.839 3.594 -3.199
101 1HD LYS 15 HD2 LYS 15 -4.921 5.060 -4.664
102 2HD LYS 15 HD1 LYS 15 -6.377 5.140 -5.659
103 1HE LYS 15 HE2 LYS 15 -7.413 6.673 -4.193
104 2HE LYS 15 HE1 LYS 15 -6.224 6.379 -2.925
105 1HZ LYS 15 HZ1 LYS 15 -4.599 7.568 -4.081
106 2HZ LYS 15 HZ2 LYS 15 -5.995 8.505 -4.260
107 3HZ LYS 15 HZ3 LYS 15 -5.459 7.535 -5.538
Start of MODEL 5
1 1H ARG 1 HT1 ARG 1 -4.112 -2.438 6.814
2 2H ARG 1 HT2 ARG 1 -5.297 -1.204 6.680
3 3H ARG 1 HT3 ARG 1 -3.672 -0.798 7.051
4 HA ARG 1 HA ARG 1 -4.568 -2.068 4.553
5 1HB ARG 1 HB2 ARG 1 -4.051 0.238 3.628
6 2HB ARG 1 HB1 ARG 1 -5.509 0.112 4.604
7 1HG ARG 1 HG2 ARG 1 -3.002 0.883 5.983
8 2HG ARG 1 HG1 ARG 1 -3.757 2.071 4.918
9 1HD ARG 1 HD2 ARG 1 -4.996 0.693 7.295
10 2HD ARG 1 HD1 ARG 1 -4.592 2.403 7.141
11 HE ARG 1 HE ARG 1 -6.956 1.113 6.213
12 1HH1 ARG 1 HH11 ARG 1 -4.739 3.715 5.513
13 2HH1 ARG 1 HH12 ARG 1 -5.915 4.655 4.657
14 1HH2 ARG 1 HH21 ARG 1 -8.505 2.347 5.088
15 2HH2 ARG 1 HH22 ARG 1 -8.053 3.879 4.416
16 H CYS 2 HN CYS 2 -2.807 -1.221 2.857
17 HA CYS 2 HA CYS 2 -0.124 -1.372 3.992
18 1HB CYS 2 HB2 CYS 2 -1.355 -3.656 3.004
19 2HB CYS 2 HB1 CYS 2 -0.362 -3.107 1.655
20 H CYS 3 HN CYS 3 -1.158 0.892 2.984
21 HA CYS 3 HA CYS 3 -0.076 1.090 0.255
22 1HB CYS 3 HB2 CYS 3 -2.519 1.687 0.701
23 2HB CYS 3 HB1 CYS 3 -1.905 3.092 1.572
24 H HIS 4 HN HIS 4 1.499 1.160 2.733
25 HA HIS 4 HA HIS 4 2.548 3.903 2.517
26 1HB HIS 4 HB2 HIS 4 3.577 3.047 4.882
27 2HB HIS 4 HB1 HIS 4 2.097 3.986 4.726
28 HD1 HIS 4 HD1 HIS 4 2.683 0.246 4.275
29 HD2 HIS 4 HD2 HIS 4 0.428 2.903 6.530
30 HE1 HIS 4 HE1 HIS 4 1.167 -1.186 5.684
31 HE2 HIS 4 HE2 HIS 4 -0.126 0.442 7.104
32 HA PRO 5 HA PRO 5 6.517 2.754 1.082
33 1HB PRO 5 HB2 PRO 5 7.506 3.723 3.731
34 2HB PRO 5 HB1 PRO 5 8.182 4.093 2.145
35 1HG PRO 5 HG2 PRO 5 6.656 5.868 3.376
36 2HG PRO 5 HG1 PRO 5 6.444 5.579 1.639
37 1HD PRO 5 HD2 PRO 5 4.712 4.769 3.918
38 2HD PRO 5 HD1 PRO 5 4.272 5.155 2.241
39 H GLN 6 HN GLN 6 5.564 1.717 4.289
40 HA GLN 6 HA GLN 6 7.621 -0.096 4.824
41 1HB GLN 6 HB2 GLN 6 5.521 0.739 6.234
42 2HB GLN 6 HB1 GLN 6 4.849 -0.786 5.663
43 1HG GLN 6 HG2 GLN 6 5.892 -0.981 7.871
44 2HG GLN 6 HG1 GLN 6 6.667 -2.009 6.667
45 1HE2 GLN 6 HE21 GLN 6 6.955 0.980 8.479
46 2HE2 GLN 6 HE22 GLN 6 8.674 1.108 8.361
47 H CYS 7 HN CYS 7 4.509 -0.610 3.201
48 HA CYS 7 HA CYS 7 5.076 -3.360 2.631
49 1HB CYS 7 HB2 CYS 7 2.941 -1.642 1.366
50 2HB CYS 7 HB1 CYS 7 2.955 -3.394 1.548
51 H GLY 8 HN GLY 8 5.514 -0.307 1.016
52 1HA GLY 8 HA2 GLY 8 6.416 0.260 -1.013
53 2HA GLY 8 HA1 GLY 8 7.401 -1.179 -0.786
54 H ALA 9 HN ALA 9 7.440 -1.985 -2.817
55 HA ALA 9 HA ALA 9 5.510 -1.940 -4.758
56 1HB ALA 9 HB1 ALA 9 7.108 -4.434 -4.494
57 2HB ALA 9 HB2 ALA 9 7.961 -2.905 -4.710
58 3HB ALA 9 HB3 ALA 9 6.788 -3.439 -5.915
59 H ALA 10 HN ALA 10 5.622 -3.958 -1.924
60 HA ALA 10 HA ALA 10 3.433 -5.628 -2.896
61 1HB ALA 10 HB1 ALA 10 3.997 -7.158 -1.300
62 2HB ALA 10 HB2 ALA 10 4.521 -5.930 -0.148
63 3HB ALA 10 HB3 ALA 10 5.559 -6.366 -1.506
64 H TYR 11 HN TYR 11 2.747 -2.947 -2.569
65 HA TYR 11 HA TYR 11 1.509 -2.544 -0.010
66 1HB TYR 11 HB2 TYR 11 0.434 -0.565 -1.233
67 2HB TYR 11 HB1 TYR 11 2.186 -0.554 -1.074
68 HD1 TYR 11 HD1 TYR 11 -0.312 -1.960 -3.492
69 HD2 TYR 11 HD2 TYR 11 3.300 0.218 -2.929
70 HE1 TYR 11 HE1 TYR 11 -0.098 -1.696 -5.926
71 HE2 TYR 11 HE2 TYR 11 3.523 0.488 -5.362
72 HH TYR 11 HH TYR 11 1.598 -1.257 -7.590
73 H SER 12 HN SER 12 -0.932 -1.647 -0.286
74 HA SER 12 HA SER 12 -2.529 -3.406 -1.951
75 1HB SER 12 HB2 SER 12 -2.302 -3.694 1.012
76 2HB SER 12 HB1 SER 12 -3.893 -3.915 0.276
77 HG SER 12 HG SER 12 -1.542 -5.264 -0.566
78 H CYS 13 HN CYS 13 -2.294 -0.723 -2.219
79 HA CYS 13 HA CYS 13 -4.102 0.844 -0.746
80 1HB CYS 13 HB2 CYS 13 -3.369 1.300 -3.638
81 2HB CYS 13 HB1 CYS 13 -3.831 2.504 -2.440
82 H ARG 14 HN ARG 14 -6.246 1.206 -0.904
83 HA ARG 14 HA ARG 14 -7.762 0.458 -3.228
84 1HB ARG 14 HB2 ARG 14 -7.333 -1.619 -1.582
85 2HB ARG 14 HB1 ARG 14 -8.742 -0.926 -0.792
86 1HG ARG 14 HG2 ARG 14 -10.139 -1.501 -2.471
87 2HG ARG 14 HG1 ARG 14 -8.914 -1.265 -3.719
88 1HD ARG 14 HD2 ARG 14 -7.872 -3.383 -2.419
89 2HD ARG 14 HD1 ARG 14 -9.590 -3.669 -2.149
90 HE ARG 14 HE ARG 14 -9.741 -4.319 -4.321
91 1HH1 ARG 14 HH11 ARG 14 -6.972 -2.217 -4.016
92 2HH1 ARG 14 HH12 ARG 14 -6.487 -2.410 -5.667
93 1HH2 ARG 14 HH21 ARG 14 -9.104 -4.575 -6.493
94 2HH2 ARG 14 HH22 ARG 14 -7.697 -3.748 -7.074
95 H LYS 15 HN LYS 15 -8.400 0.786 0.269
96 HA LYS 15 HA LYS 15 -10.372 2.869 -0.380
97 1HB LYS 15 HB2 LYS 15 -10.126 1.343 2.213
98 2HB LYS 15 HB1 LYS 15 -11.469 2.348 1.686
99 1HG LYS 15 HG2 LYS 15 -11.668 0.668 -0.261
100 2HG LYS 15 HG1 LYS 15 -10.682 -0.382 0.759
101 1HD LYS 15 HD2 LYS 15 -12.523 0.416 2.553
102 2HD LYS 15 HD1 LYS 15 -13.485 0.490 1.076
103 1HE LYS 15 HE2 LYS 15 -13.849 -1.689 1.561
104 2HE LYS 15 HE1 LYS 15 -12.315 -1.890 0.716
105 1HZ LYS 15 HZ1 LYS 15 -12.831 -1.913 3.623
106 2HZ LYS 15 HZ2 LYS 15 -11.281 -1.610 3.017
107 3HZ LYS 15 HZ3 LYS 15 -12.049 -3.078 2.677
Start of MODEL 6
1 1H ARG 1 HT1 ARG 1 -6.454 -4.018 3.388
2 2H ARG 1 HT2 ARG 1 -6.175 -2.339 3.613
3 3H ARG 1 HT3 ARG 1 -5.542 -3.474 4.734
4 HA ARG 1 HA ARG 1 -4.231 -4.430 2.913
5 1HB ARG 1 HB2 ARG 1 -5.248 -1.928 1.549
6 2HB ARG 1 HB1 ARG 1 -3.927 -2.919 0.945
7 1HG ARG 1 HG2 ARG 1 -6.711 -3.958 1.408
8 2HG ARG 1 HG1 ARG 1 -6.139 -3.326 -0.137
9 1HD ARG 1 HD2 ARG 1 -4.744 -5.105 -0.506
10 2HD ARG 1 HD1 ARG 1 -4.532 -5.434 1.213
11 HE ARG 1 HE ARG 1 -6.574 -6.484 -0.520
12 1HH1 ARG 1 HH11 ARG 1 -5.709 -5.770 2.785
13 2HH1 ARG 1 HH12 ARG 1 -6.805 -6.931 3.454
14 1HH2 ARG 1 HH21 ARG 1 -8.016 -8.012 0.359
15 2HH2 ARG 1 HH22 ARG 1 -8.115 -8.205 2.077
16 H CYS 2 HN CYS 2 -2.230 -2.970 1.997
17 HA CYS 2 HA CYS 2 -1.444 -1.222 4.236
18 1HB CYS 2 HB2 CYS 2 0.885 -2.031 3.881
19 2HB CYS 2 HB1 CYS 2 -0.222 -3.299 4.409
20 H CYS 3 HN CYS 3 -1.079 0.802 3.641
21 HA CYS 3 HA CYS 3 -0.143 1.313 0.893
22 1HB CYS 3 HB2 CYS 3 -2.507 2.022 1.337
23 2HB CYS 3 HB1 CYS 3 -1.888 3.145 2.547
24 H HIS 4 HN HIS 4 1.390 0.920 3.387
25 HA HIS 4 HA HIS 4 2.621 3.581 3.625
26 1HB HIS 4 HB2 HIS 4 3.702 2.054 5.670
27 2HB HIS 4 HB1 HIS 4 2.412 3.237 5.831
28 HD1 HIS 4 HD1 HIS 4 2.420 -0.407 4.682
29 HD2 HIS 4 HD2 HIS 4 0.533 2.132 7.365
30 HE1 HIS 4 HE1 HIS 4 0.704 -1.826 5.853
31 HE2 HIS 4 HE2 HIS 4 -0.366 -0.287 7.537
32 HA PRO 5 HA PRO 5 6.448 2.224 1.923
33 1HB PRO 5 HB2 PRO 5 8.353 2.824 3.823
34 2HB PRO 5 HB1 PRO 5 7.595 4.088 2.840
35 1HG PRO 5 HG2 PRO 5 6.927 3.185 5.620
36 2HG PRO 5 HG1 PRO 5 7.052 4.832 4.971
37 1HD PRO 5 HD2 PRO 5 4.673 3.668 5.334
38 2HD PRO 5 HD1 PRO 5 4.975 4.714 3.930
39 H GLN 6 HN GLN 6 5.422 0.868 4.907
40 HA GLN 6 HA GLN 6 7.470 -1.008 5.351
41 1HB GLN 6 HB2 GLN 6 4.624 -0.725 6.175
42 2HB GLN 6 HB1 GLN 6 5.363 -2.315 6.351
43 1HG GLN 6 HG2 GLN 6 7.263 -0.699 7.440
44 2HG GLN 6 HG1 GLN 6 5.777 0.138 7.885
45 1HE2 GLN 6 HE21 GLN 6 7.781 -2.588 8.415
46 2HE2 GLN 6 HE22 GLN 6 6.856 -3.305 9.685
47 H CYS 7 HN CYS 7 4.734 -0.967 3.182
48 HA CYS 7 HA CYS 7 5.183 -3.739 2.389
49 1HB CYS 7 HB2 CYS 7 2.981 -1.804 2.145
50 2HB CYS 7 HB1 CYS 7 3.233 -2.797 0.710
51 H GLY 8 HN GLY 8 5.986 -0.548 1.395
52 1HA GLY 8 HA2 GLY 8 7.184 0.259 -0.376
53 2HA GLY 8 HA1 GLY 8 7.764 -1.388 -0.583
54 H ALA 9 HN ALA 9 7.665 -1.588 -2.762
55 HA ALA 9 HA ALA 9 5.612 -0.567 -4.397
56 1HB ALA 9 HB1 ALA 9 6.746 -1.483 -6.149
57 2HB ALA 9 HB2 ALA 9 7.127 -2.966 -5.274
58 3HB ALA 9 HB3 ALA 9 8.028 -1.488 -4.938
59 H ALA 10 HN ALA 10 5.628 -3.258 -2.310
60 HA ALA 10 HA ALA 10 3.584 -4.694 -3.809
61 1HB ALA 10 HB1 ALA 10 5.413 -5.943 -2.729
62 2HB ALA 10 HB2 ALA 10 3.820 -6.432 -2.150
63 3HB ALA 10 HB3 ALA 10 4.837 -5.388 -1.157
64 H TYR 11 HN TYR 11 3.180 -2.003 -2.419
65 HA TYR 11 HA TYR 11 1.466 -2.432 -0.207
66 1HB TYR 11 HB2 TYR 11 0.611 -0.063 -0.902
67 2HB TYR 11 HB1 TYR 11 2.248 -0.251 -0.288
68 HD1 TYR 11 HD1 TYR 11 1.159 -1.173 -3.706
69 HD2 TYR 11 HD2 TYR 11 3.211 1.668 -1.293
70 HE1 TYR 11 HE1 TYR 11 2.036 -0.094 -5.733
71 HE2 TYR 11 HE2 TYR 11 4.093 2.755 -3.314
72 HH TYR 11 HH TYR 11 4.525 2.254 -5.635
73 H SER 12 HN SER 12 -0.879 -1.307 -0.474
74 HA SER 12 HA SER 12 -2.240 -2.211 -2.866
75 1HB SER 12 HB2 SER 12 -2.456 -3.612 -0.239
76 2HB SER 12 HB1 SER 12 -3.925 -3.425 -1.203
77 HG SER 12 HG SER 12 -2.700 -4.378 -2.961
78 H CYS 13 HN CYS 13 -2.017 0.338 -2.239
79 HA CYS 13 HA CYS 13 -3.857 1.446 -0.445
80 1HB CYS 13 HB2 CYS 13 -2.961 2.689 -3.049
81 2HB CYS 13 HB1 CYS 13 -3.525 3.527 -1.608
82 H ARG 14 HN ARG 14 -5.958 0.958 -0.450
83 HA ARG 14 HA ARG 14 -7.447 1.329 -2.952
84 1HB ARG 14 HB2 ARG 14 -7.032 -1.126 -2.403
85 2HB ARG 14 HB1 ARG 14 -8.087 -0.892 -1.016
86 1HG ARG 14 HG2 ARG 14 -9.508 -1.757 -2.622
87 2HG ARG 14 HG1 ARG 14 -9.794 -0.019 -2.734
88 1HD ARG 14 HD2 ARG 14 -9.573 -0.614 -4.954
89 2HD ARG 14 HD1 ARG 14 -7.938 -0.094 -4.548
90 HE ARG 14 HE ARG 14 -7.923 -2.772 -4.059
91 1HH1 ARG 14 HH11 ARG 14 -8.743 -0.804 -6.822
92 2HH1 ARG 14 HH12 ARG 14 -8.279 -2.009 -7.975
93 1HH2 ARG 14 HH21 ARG 14 -7.311 -4.358 -5.574
94 2HH2 ARG 14 HH22 ARG 14 -7.466 -4.027 -7.268
95 H LYS 15 HN LYS 15 -7.702 0.902 0.568
96 HA LYS 15 HA LYS 15 -9.026 1.889 2.131
97 1HB LYS 15 HB2 LYS 15 -9.536 4.067 0.110
98 2HB LYS 15 HB1 LYS 15 -9.571 4.192 1.863
99 1HG LYS 15 HG2 LYS 15 -7.139 3.751 1.903
100 2HG LYS 15 HG1 LYS 15 -7.142 3.758 0.139
101 1HD LYS 15 HD2 LYS 15 -7.805 6.048 0.073
102 2HD LYS 15 HD1 LYS 15 -8.117 6.067 1.810
103 1HE LYS 15 HE2 LYS 15 -5.538 5.302 1.807
104 2HE LYS 15 HE1 LYS 15 -5.569 6.266 0.331
105 1HZ LYS 15 HZ1 LYS 15 -5.005 7.492 2.429
106 2HZ LYS 15 HZ2 LYS 15 -6.608 7.265 2.919
107 3HZ LYS 15 HZ3 LYS 15 -6.270 8.157 1.523
Start of MODEL 7
1 1H ARG 1 HT1 ARG 1 -3.563 -1.123 7.845
2 2H ARG 1 HT2 ARG 1 -4.853 0.005 7.756
3 3H ARG 1 HT3 ARG 1 -3.289 0.523 8.235
4 HA ARG 1 HA ARG 1 -4.009 -0.570 5.598
5 1HB ARG 1 HB2 ARG 1 -3.924 2.160 6.771
6 2HB ARG 1 HB1 ARG 1 -3.286 1.975 5.143
7 1HG ARG 1 HG2 ARG 1 -5.428 0.964 4.454
8 2HG ARG 1 HG1 ARG 1 -6.059 1.261 6.075
9 1HD ARG 1 HD2 ARG 1 -4.853 3.586 4.729
10 2HD ARG 1 HD1 ARG 1 -6.335 2.971 3.999
11 HE ARG 1 HE ARG 1 -6.914 3.142 6.657
12 1HH1 ARG 1 HH11 ARG 1 -5.737 5.389 4.261
13 2HH1 ARG 1 HH12 ARG 1 -6.464 6.768 5.015
14 1HH2 ARG 1 HH21 ARG 1 -7.871 4.954 7.651
15 2HH2 ARG 1 HH22 ARG 1 -7.675 6.521 6.940
16 H CYS 2 HN CYS 2 -2.286 -0.114 4.008
17 HA CYS 2 HA CYS 2 0.378 0.351 5.037
18 1HB CYS 2 HB2 CYS 2 -0.360 -2.199 5.210
19 2HB CYS 2 HB1 CYS 2 0.092 -2.193 3.505
20 H CYS 3 HN CYS 3 -0.742 2.045 3.403
21 HA CYS 3 HA CYS 3 -0.039 1.326 0.652
22 1HB CYS 3 HB2 CYS 3 -2.273 2.416 1.293
23 2HB CYS 3 HB1 CYS 3 -1.344 3.897 1.527
24 H HIS 4 HN HIS 4 1.965 1.857 2.735
25 HA HIS 4 HA HIS 4 3.132 4.390 1.877
26 1HB HIS 4 HB2 HIS 4 4.752 2.889 3.754
27 2HB HIS 4 HB1 HIS 4 4.057 4.497 3.909
28 HD1 HIS 4 HD1 HIS 4 1.087 3.861 4.066
29 HD2 HIS 4 HD2 HIS 4 4.015 1.690 6.050
30 HE1 HIS 4 HE1 HIS 4 -0.092 2.751 5.991
31 HE2 HIS 4 HE2 HIS 4 1.720 1.515 7.233
32 HA PRO 5 HA PRO 5 6.250 2.615 -0.691
33 1HB PRO 5 HB2 PRO 5 8.574 3.820 0.093
34 2HB PRO 5 HB1 PRO 5 7.313 4.751 -0.737
35 1HG PRO 5 HG2 PRO 5 7.895 4.539 2.199
36 2HG PRO 5 HG1 PRO 5 7.537 5.979 1.226
37 1HD PRO 5 HD2 PRO 5 5.662 4.791 2.751
38 2HD PRO 5 HD1 PRO 5 5.261 5.547 1.195
39 H GLN 6 HN GLN 6 6.393 2.107 2.674
40 HA GLN 6 HA GLN 6 8.689 0.350 2.608
41 1HB GLN 6 HB2 GLN 6 7.647 1.836 4.587
42 2HB GLN 6 HB1 GLN 6 6.821 0.315 4.917
43 1HG GLN 6 HG2 GLN 6 8.679 -0.676 5.673
44 2HG GLN 6 HG1 GLN 6 9.700 0.059 4.438
45 1HE2 GLN 6 HE21 GLN 6 7.618 1.577 6.856
46 2HE2 GLN 6 HE22 GLN 6 8.879 2.449 7.653
47 H CYS 7 HN CYS 7 5.249 0.118 2.265
48 HA CYS 7 HA CYS 7 5.105 -2.698 2.817
49 1HB CYS 7 HB2 CYS 7 3.049 -1.025 1.375
50 2HB CYS 7 HB1 CYS 7 2.796 -2.509 2.288
51 H GLY 8 HN GLY 8 5.585 -0.664 0.028
52 1HA GLY 8 HA2 GLY 8 5.994 -1.130 -2.175
53 2HA GLY 8 HA1 GLY 8 6.666 -2.640 -1.574
54 H ALA 9 HN ALA 9 5.938 -3.929 -3.224
55 HA ALA 9 HA ALA 9 3.468 -3.921 -4.452
56 1HB ALA 9 HB1 ALA 9 4.931 -5.300 -5.526
57 2HB ALA 9 HB2 ALA 9 3.989 -6.504 -4.647
58 3HB ALA 9 HB3 ALA 9 5.558 -5.988 -4.028
59 H ALA 10 HN ALA 10 4.290 -5.034 -1.275
60 HA ALA 10 HA ALA 10 1.770 -6.480 -0.990
61 1HB ALA 10 HB1 ALA 10 4.300 -6.338 0.559
62 2HB ALA 10 HB2 ALA 10 3.343 -7.739 0.076
63 3HB ALA 10 HB3 ALA 10 2.817 -6.736 1.428
64 H TYR 11 HN TYR 11 1.581 -3.671 -1.400
65 HA TYR 11 HA TYR 11 1.207 -2.327 1.089
66 1HB TYR 11 HB2 TYR 11 -0.063 -0.661 -0.405
67 2HB TYR 11 HB1 TYR 11 1.653 -0.893 -0.716
68 HD1 TYR 11 HD1 TYR 11 2.213 -0.921 -2.945
69 HD2 TYR 11 HD2 TYR 11 -1.542 -2.541 -1.774
70 HE1 TYR 11 HE1 TYR 11 1.717 -1.455 -5.293
71 HE2 TYR 11 HE2 TYR 11 -2.048 -3.080 -4.118
72 HH TYR 11 HH TYR 11 -0.081 -3.444 -6.388
73 H SER 12 HN SER 12 -1.111 -1.126 1.214
74 HA SER 12 HA SER 12 -3.264 -3.054 0.831
75 1HB SER 12 HB2 SER 12 -2.015 -3.068 3.232
76 2HB SER 12 HB1 SER 12 -3.223 -1.812 3.521
77 HG SER 12 HG SER 12 -3.546 -4.536 3.102
78 H CYS 13 HN CYS 13 -2.945 -0.786 -0.613
79 HA CYS 13 HA CYS 13 -4.238 1.490 0.494
80 1HB CYS 13 HB2 CYS 13 -4.061 0.843 -2.446
81 2HB CYS 13 HB1 CYS 13 -4.131 2.429 -1.685
82 H ARG 14 HN ARG 14 -6.157 2.332 -1.156
83 HA ARG 14 HA ARG 14 -8.310 0.397 -0.688
84 1HB ARG 14 HB2 ARG 14 -9.785 2.436 -1.073
85 2HB ARG 14 HB1 ARG 14 -8.797 2.445 0.381
86 1HG ARG 14 HG2 ARG 14 -7.523 4.171 -0.327
87 2HG ARG 14 HG1 ARG 14 -7.615 3.688 -2.022
88 1HD ARG 14 HD2 ARG 14 -9.749 4.651 -2.286
89 2HD ARG 14 HD1 ARG 14 -9.980 4.805 -0.545
90 HE ARG 14 HE ARG 14 -7.822 6.361 -1.014
91 1HH1 ARG 14 HH11 ARG 14 -10.999 6.203 -2.451
92 2HH1 ARG 14 HH12 ARG 14 -11.041 7.889 -2.845
93 1HH2 ARG 14 HH21 ARG 14 -7.876 8.578 -1.532
94 2HH2 ARG 14 HH22 ARG 14 -9.268 9.237 -2.324
95 H LYS 15 HN LYS 15 -6.509 0.174 -2.952
96 HA LYS 15 HA LYS 15 -8.527 0.186 -5.061
97 1HB LYS 15 HB2 LYS 15 -6.916 1.122 -6.693
98 2HB LYS 15 HB1 LYS 15 -7.351 2.268 -5.433
99 1HG LYS 15 HG2 LYS 15 -5.267 2.293 -4.538
100 2HG LYS 15 HG1 LYS 15 -4.931 0.621 -4.990
101 1HD LYS 15 HD2 LYS 15 -3.614 1.571 -6.553
102 2HD LYS 15 HD1 LYS 15 -5.131 1.770 -7.432
103 1HE LYS 15 HE2 LYS 15 -5.201 4.009 -7.076
104 2HE LYS 15 HE1 LYS 15 -4.437 3.890 -5.492
105 1HZ LYS 15 HZ1 LYS 15 -2.751 4.828 -6.656
106 2HZ LYS 15 HZ2 LYS 15 -3.213 4.142 -8.132
107 3HZ LYS 15 HZ3 LYS 15 -2.393 3.207 -6.986
Start of MODEL 8
1 1H ARG 1 HT1 ARG 1 -4.017 0.382 7.349
2 2H ARG 1 HT2 ARG 1 -4.821 1.888 7.521
3 3H ARG 1 HT3 ARG 1 -3.189 1.721 8.026
4 HA ARG 1 HA ARG 1 -4.029 1.276 5.254
5 1HB ARG 1 HB2 ARG 1 -3.439 3.597 4.803
6 2HB ARG 1 HB1 ARG 1 -4.742 3.522 5.981
7 1HG ARG 1 HG2 ARG 1 -2.641 3.601 7.645
8 2HG ARG 1 HG1 ARG 1 -1.972 4.486 6.272
9 1HD ARG 1 HD2 ARG 1 -4.630 5.117 7.543
10 2HD ARG 1 HD1 ARG 1 -3.118 5.905 7.993
11 HE ARG 1 HE ARG 1 -3.226 6.270 5.318
12 1HH1 ARG 1 HH11 ARG 1 -5.495 6.886 7.896
13 2HH1 ARG 1 HH12 ARG 1 -6.233 8.231 7.093
14 1HH2 ARG 1 HH21 ARG 1 -4.194 8.039 4.261
15 2HH2 ARG 1 HH22 ARG 1 -5.495 8.886 5.029
16 H CYS 2 HN CYS 2 -2.296 1.044 3.870
17 HA CYS 2 HA CYS 2 0.408 1.415 4.838
18 1HB CYS 2 HB2 CYS 2 -0.580 -0.978 5.435
19 2HB CYS 2 HB1 CYS 2 -0.155 -1.310 3.755
20 H CYS 3 HN CYS 3 -0.184 2.982 3.008
21 HA CYS 3 HA CYS 3 0.266 1.726 0.388
22 1HB CYS 3 HB2 CYS 3 -1.769 3.214 0.783
23 2HB CYS 3 HB1 CYS 3 -0.637 4.565 0.865
24 H HIS 4 HN HIS 4 2.342 2.260 2.399
25 HA HIS 4 HA HIS 4 3.887 4.412 1.176
26 1HB HIS 4 HB2 HIS 4 5.261 2.996 3.298
27 2HB HIS 4 HB1 HIS 4 4.825 4.696 3.185
28 HD1 HIS 4 HD1 HIS 4 1.793 4.557 3.383
29 HD2 HIS 4 HD2 HIS 4 4.359 2.301 5.737
30 HE1 HIS 4 HE1 HIS 4 0.466 3.957 5.434
31 HE2 HIS 4 HE2 HIS 4 2.010 2.510 6.802
32 HA PRO 5 HA PRO 5 6.677 1.789 -1.017
33 1HB PRO 5 HB2 PRO 5 9.170 2.699 -0.356
34 2HB PRO 5 HB1 PRO 5 8.085 3.685 -1.355
35 1HG PRO 5 HG2 PRO 5 8.612 3.838 1.595
36 2HG PRO 5 HG1 PRO 5 8.503 5.148 0.403
37 1HD PRO 5 HD2 PRO 5 6.451 4.541 2.034
38 2HD PRO 5 HD1 PRO 5 6.187 5.094 0.367
39 H GLN 6 HN GLN 6 6.737 1.784 2.391
40 HA GLN 6 HA GLN 6 8.703 -0.321 2.645
41 1HB GLN 6 HB2 GLN 6 6.975 1.221 4.543
42 2HB GLN 6 HB1 GLN 6 7.693 -0.299 5.071
43 1HG GLN 6 HG2 GLN 6 9.744 0.581 5.236
44 2HG GLN 6 HG1 GLN 6 9.563 1.541 3.768
45 1HE2 GLN 6 HE21 GLN 6 10.754 2.402 6.197
46 2HE2 GLN 6 HE22 GLN 6 9.810 3.715 6.805
47 H CYS 7 HN CYS 7 5.267 -0.019 2.283
48 HA CYS 7 HA CYS 7 4.630 -2.637 3.260
49 1HB CYS 7 HB2 CYS 7 2.921 -0.935 1.449
50 2HB CYS 7 HB1 CYS 7 2.402 -2.157 2.605
51 H GLY 8 HN GLY 8 5.500 -1.228 0.190
52 1HA GLY 8 HA2 GLY 8 5.870 -2.136 -1.877
53 2HA GLY 8 HA1 GLY 8 6.253 -3.611 -0.998
54 H ALA 9 HN ALA 9 5.341 -5.022 -2.445
55 HA ALA 9 HA ALA 9 2.922 -4.796 -3.764
56 1HB ALA 9 HB1 ALA 9 3.750 -7.482 -2.788
57 2HB ALA 9 HB2 ALA 9 4.835 -6.600 -3.863
58 3HB ALA 9 HB3 ALA 9 3.194 -6.980 -4.385
59 H ALA 10 HN ALA 10 3.504 -5.479 -0.421
60 HA ALA 10 HA ALA 10 0.783 -6.452 -0.009
61 1HB ALA 10 HB1 ALA 10 3.235 -6.331 1.702
62 2HB ALA 10 HB2 ALA 10 2.255 -7.726 1.248
63 3HB ALA 10 HB3 ALA 10 1.645 -6.566 2.428
64 H TYR 11 HN TYR 11 1.082 -3.743 -0.878
65 HA TYR 11 HA TYR 11 0.873 -1.962 1.336
66 1HB TYR 11 HB2 TYR 11 -0.099 -0.399 -0.466
67 2HB TYR 11 HB1 TYR 11 1.565 -0.935 -0.658
68 HD1 TYR 11 HD1 TYR 11 -1.826 -2.244 -1.569
69 HD2 TYR 11 HD2 TYR 11 2.156 -1.423 -2.825
70 HE1 TYR 11 HE1 TYR 11 -2.365 -3.090 -3.813
71 HE2 TYR 11 HE2 TYR 11 1.627 -2.266 -5.073
72 HH TYR 11 HH TYR 11 -0.964 -4.124 -5.778
73 H SER 12 HN SER 12 -1.225 -0.417 1.171
74 HA SER 12 HA SER 12 -3.659 -2.004 0.990
75 1HB SER 12 HB2 SER 12 -2.486 -0.982 3.538
76 2HB SER 12 HB1 SER 12 -4.241 -0.911 3.345
77 HG SER 12 HG SER 12 -2.694 -3.254 2.937
78 H CYS 13 HN CYS 13 -2.945 -0.029 -0.719
79 HA CYS 13 HA CYS 13 -3.851 2.553 0.039
80 1HB CYS 13 HB2 CYS 13 -3.750 1.500 -2.783
81 2HB CYS 13 HB1 CYS 13 -3.566 3.164 -2.239
82 H ARG 14 HN ARG 14 -5.286 0.317 -2.324
83 HA ARG 14 HA ARG 14 -7.913 0.633 -1.199
84 1HB ARG 14 HB2 ARG 14 -7.701 2.717 -2.496
85 2HB ARG 14 HB1 ARG 14 -7.345 1.779 -3.939
86 1HG ARG 14 HG2 ARG 14 -9.539 2.023 -4.326
87 2HG ARG 14 HG1 ARG 14 -9.688 0.664 -3.210
88 1HD ARG 14 HD2 ARG 14 -9.758 2.499 -1.381
89 2HD ARG 14 HD1 ARG 14 -10.152 3.581 -2.717
90 HE ARG 14 HE ARG 14 -11.822 1.292 -2.752
91 1HH1 ARG 14 HH11 ARG 14 -11.320 4.301 -1.058
92 2HH1 ARG 14 HH12 ARG 14 -12.977 4.454 -0.581
93 1HH2 ARG 14 HH21 ARG 14 -14.003 1.492 -2.127
94 2HH2 ARG 14 HH22 ARG 14 -14.501 2.859 -1.187
95 H LYS 15 HN LYS 15 -6.665 -0.025 -4.474
96 HA LYS 15 HA LYS 15 -8.000 -2.642 -4.358
97 1HB LYS 15 HB2 LYS 15 -7.670 -2.552 -6.892
98 2HB LYS 15 HB1 LYS 15 -8.848 -1.447 -6.198
99 1HG LYS 15 HG2 LYS 15 -7.283 0.382 -6.344
100 2HG LYS 15 HG1 LYS 15 -6.019 -0.708 -6.916
101 1HD LYS 15 HD2 LYS 15 -6.901 -0.853 -9.009
102 2HD LYS 15 HD1 LYS 15 -8.561 -0.667 -8.440
103 1HE LYS 15 HE2 LYS 15 -6.636 1.621 -8.295
104 2HE LYS 15 HE1 LYS 15 -7.461 1.243 -9.807
105 1HZ LYS 15 HZ1 LYS 15 -9.529 1.701 -8.880
106 2HZ LYS 15 HZ2 LYS 15 -8.543 2.920 -8.245
107 3HZ LYS 15 HZ3 LYS 15 -8.965 1.592 -7.288
Start of MODEL 9
1 1H ARG 1 HT1 ARG 1 -3.192 -2.061 7.810
2 2H ARG 1 HT2 ARG 1 -4.692 -2.702 7.278
3 3H ARG 1 HT3 ARG 1 -4.520 -1.014 7.532
4 HA ARG 1 HA ARG 1 -3.416 -2.698 5.409
5 1HB ARG 1 HB2 ARG 1 -4.843 -0.035 5.361
6 2HB ARG 1 HB1 ARG 1 -4.516 -1.089 3.992
7 1HG ARG 1 HG2 ARG 1 -6.249 -1.921 6.300
8 2HG ARG 1 HG1 ARG 1 -6.878 -1.091 4.875
9 1HD ARG 1 HD2 ARG 1 -7.188 -3.427 4.534
10 2HD ARG 1 HD1 ARG 1 -5.873 -2.910 3.480
11 HE ARG 1 HE ARG 1 -4.437 -4.246 4.664
12 1HH1 ARG 1 HH11 ARG 1 -7.403 -3.885 6.468
13 2HH1 ARG 1 HH12 ARG 1 -6.980 -5.083 7.645
14 1HH2 ARG 1 HH21 ARG 1 -3.879 -5.822 6.211
15 2HH2 ARG 1 HH22 ARG 1 -4.979 -6.182 7.500
16 H CYS 2 HN CYS 2 -1.749 -1.897 4.121
17 HA CYS 2 HA CYS 2 -0.291 0.428 5.188
18 1HB CYS 2 HB2 CYS 2 1.829 -0.737 4.743
19 2HB CYS 2 HB1 CYS 2 0.848 -1.610 5.920
20 H CYS 3 HN CYS 3 -0.292 1.957 3.692
21 HA CYS 3 HA CYS 3 -0.197 1.174 0.859
22 1HB CYS 3 HB2 CYS 3 -2.148 2.552 1.684
23 2HB CYS 3 HB1 CYS 3 -1.005 3.864 1.973
24 H HIS 4 HN HIS 4 1.487 2.839 3.368
25 HA HIS 4 HA HIS 4 3.088 4.593 1.928
26 1HB HIS 4 HB2 HIS 4 4.820 3.764 3.868
27 2HB HIS 4 HB1 HIS 4 3.569 4.977 4.095
28 HD1 HIS 4 HD1 HIS 4 3.505 1.158 4.203
29 HD2 HIS 4 HD2 HIS 4 2.411 4.470 6.447
30 HE1 HIS 4 HE1 HIS 4 2.421 0.235 6.278
31 HE2 HIS 4 HE2 HIS 4 1.844 2.258 7.661
32 HA PRO 5 HA PRO 5 6.024 2.233 -0.340
33 1HB PRO 5 HB2 PRO 5 8.451 3.344 0.287
34 2HB PRO 5 HB1 PRO 5 7.280 4.218 -0.717
35 1HG PRO 5 HG2 PRO 5 7.830 4.471 2.219
36 2HG PRO 5 HG1 PRO 5 7.575 5.742 1.009
37 1HD PRO 5 HD2 PRO 5 5.625 4.979 2.694
38 2HD PRO 5 HD1 PRO 5 5.272 5.472 1.026
39 H GLN 6 HN GLN 6 6.180 2.216 3.069
40 HA GLN 6 HA GLN 6 8.389 0.532 3.502
41 1HB GLN 6 HB2 GLN 6 5.954 1.290 5.036
42 2HB GLN 6 HB1 GLN 6 6.819 -0.154 5.556
43 1HG GLN 6 HG2 GLN 6 8.406 2.302 5.073
44 2HG GLN 6 HG1 GLN 6 7.374 2.254 6.502
45 1HE2 GLN 6 HE21 GLN 6 8.270 1.475 8.263
46 2HE2 GLN 6 HE22 GLN 6 9.614 0.391 8.332
47 H CYS 7 HN CYS 7 5.189 -0.080 2.321
48 HA CYS 7 HA CYS 7 5.540 -2.975 2.616
49 1HB CYS 7 HB2 CYS 7 3.233 -1.170 2.418
50 2HB CYS 7 HB1 CYS 7 3.083 -2.626 1.435
51 H GLY 8 HN GLY 8 5.546 -0.432 0.260
52 1HA GLY 8 HA2 GLY 8 5.963 -0.411 -1.988
53 2HA GLY 8 HA1 GLY 8 6.803 -1.931 -1.710
54 H ALA 9 HN ALA 9 6.145 -2.939 -3.575
55 HA ALA 9 HA ALA 9 3.676 -2.950 -4.771
56 1HB ALA 9 HB1 ALA 9 5.493 -5.347 -4.589
57 2HB ALA 9 HB2 ALA 9 5.742 -3.984 -5.680
58 3HB ALA 9 HB3 ALA 9 4.309 -4.998 -5.849
59 H ALA 10 HN ALA 10 4.601 -4.526 -1.820
60 HA ALA 10 HA ALA 10 2.203 -6.186 -1.805
61 1HB ALA 10 HB1 ALA 10 3.214 -7.477 -0.243
62 2HB ALA 10 HB2 ALA 10 3.982 -6.105 0.556
63 3HB ALA 10 HB3 ALA 10 4.663 -6.750 -0.938
64 H TYR 11 HN TYR 11 1.744 -3.386 -1.744
65 HA TYR 11 HA TYR 11 1.152 -2.686 1.006
66 1HB TYR 11 HB2 TYR 11 0.059 -0.647 -0.175
67 2HB TYR 11 HB1 TYR 11 1.811 -0.794 -0.176
68 HD1 TYR 11 HD1 TYR 11 -0.574 -2.643 -2.352
69 HD2 TYR 11 HD2 TYR 11 2.367 0.422 -2.103
70 HE1 TYR 11 HE1 TYR 11 -0.566 -2.461 -4.802
71 HE2 TYR 11 HE2 TYR 11 2.383 0.612 -4.554
72 HH TYR 11 HH TYR 11 1.411 -1.543 -6.573
73 H SER 12 HN SER 12 -1.165 -1.500 1.142
74 HA SER 12 HA SER 12 -3.232 -3.147 -0.083
75 1HB SER 12 HB2 SER 12 -2.510 -3.198 2.809
76 2HB SER 12 HB1 SER 12 -4.227 -3.234 2.395
77 HG SER 12 HG SER 12 -3.962 -5.138 1.389
78 H CYS 13 HN CYS 13 -2.803 -0.596 -0.756
79 HA CYS 13 HA CYS 13 -4.034 1.390 0.784
80 1HB CYS 13 HB2 CYS 13 -3.994 1.320 -2.234
81 2HB CYS 13 HB1 CYS 13 -4.031 2.738 -1.191
82 H ARG 14 HN ARG 14 -5.970 2.606 -0.684
83 HA ARG 14 HA ARG 14 -8.215 0.758 -0.341
84 1HB ARG 14 HB2 ARG 14 -7.861 3.318 0.551
85 2HB ARG 14 HB1 ARG 14 -8.804 3.584 -0.909
86 1HG ARG 14 HG2 ARG 14 -9.571 1.796 1.390
87 2HG ARG 14 HG1 ARG 14 -10.237 3.393 1.042
88 1HD ARG 14 HD2 ARG 14 -10.337 1.252 -1.040
89 2HD ARG 14 HD1 ARG 14 -11.508 1.245 0.278
90 HE ARG 14 HE ARG 14 -11.383 3.807 -0.913
91 1HH1 ARG 14 HH11 ARG 14 -12.580 0.580 -1.492
92 2HH1 ARG 14 HH12 ARG 14 -13.869 1.107 -2.520
93 1HH2 ARG 14 HH21 ARG 14 -13.079 4.503 -2.265
94 2HH2 ARG 14 HH22 ARG 14 -14.153 3.334 -2.960
95 H LYS 15 HN LYS 15 -6.603 0.485 -2.661
96 HA LYS 15 HA LYS 15 -8.497 1.346 -4.750
97 1HB LYS 15 HB2 LYS 15 -6.479 1.101 -6.302
98 2HB LYS 15 HB1 LYS 15 -6.500 2.492 -5.227
99 1HG LYS 15 HG2 LYS 15 -4.721 1.777 -4.040
100 2HG LYS 15 HG1 LYS 15 -5.159 0.075 -4.200
101 1HD LYS 15 HD2 LYS 15 -4.371 1.413 -6.700
102 2HD LYS 15 HD1 LYS 15 -3.090 1.248 -5.497
103 1HE LYS 15 HE2 LYS 15 -4.802 -0.978 -6.598
104 2HE LYS 15 HE1 LYS 15 -3.117 -0.662 -7.009
105 1HZ LYS 15 HZ1 LYS 15 -4.241 -1.681 -4.481
106 2HZ LYS 15 HZ2 LYS 15 -2.732 -0.916 -4.498
107 3HZ LYS 15 HZ3 LYS 15 -2.982 -2.314 -5.417
Start of MODEL 10
1 1H ARG 1 HT1 ARG 1 -4.676 2.392 7.558
2 2H ARG 1 HT2 ARG 1 -3.013 2.754 7.783
3 3H ARG 1 HT3 ARG 1 -3.581 1.148 7.994
4 HA ARG 1 HA ARG 1 -3.986 0.868 5.756
5 1HB ARG 1 HB2 ARG 1 -3.796 2.734 4.163
6 2HB ARG 1 HB1 ARG 1 -5.024 3.048 5.382
7 1HG ARG 1 HG2 ARG 1 -3.876 4.771 6.298
8 2HG ARG 1 HG1 ARG 1 -2.302 4.060 5.938
9 1HD ARG 1 HD2 ARG 1 -2.957 4.537 3.464
10 2HD ARG 1 HD1 ARG 1 -4.105 5.670 4.177
11 HE ARG 1 HE ARG 1 -1.255 5.966 4.009
12 1HH1 ARG 1 HH11 ARG 1 -4.117 6.892 5.778
13 2HH1 ARG 1 HH12 ARG 1 -3.424 8.363 6.375
14 1HH2 ARG 1 HH21 ARG 1 -0.342 7.899 4.794
15 2HH2 ARG 1 HH22 ARG 1 -1.281 8.935 5.816
16 H CYS 2 HN CYS 2 -2.372 0.523 4.103
17 HA CYS 2 HA CYS 2 0.366 1.219 4.910
18 1HB CYS 2 HB2 CYS 2 -0.533 -1.230 5.426
19 2HB CYS 2 HB1 CYS 2 -0.124 -1.476 3.728
20 H CYS 3 HN CYS 3 -0.150 2.850 3.194
21 HA CYS 3 HA CYS 3 0.201 1.719 0.498
22 1HB CYS 3 HB2 CYS 3 -1.847 3.131 0.948
23 2HB CYS 3 HB1 CYS 3 -0.760 4.502 1.175
24 H HIS 4 HN HIS 4 2.306 2.209 2.509
25 HA HIS 4 HA HIS 4 3.801 4.422 1.335
26 1HB HIS 4 HB2 HIS 4 5.229 2.953 3.385
27 2HB HIS 4 HB1 HIS 4 4.769 4.649 3.338
28 HD1 HIS 4 HD1 HIS 4 1.742 4.460 3.577
29 HD2 HIS 4 HD2 HIS 4 4.377 2.163 5.813
30 HE1 HIS 4 HE1 HIS 4 0.456 3.772 5.627
31 HE2 HIS 4 HE2 HIS 4 2.043 2.303 6.922
32 HA PRO 5 HA PRO 5 6.594 1.920 -0.992
33 1HB PRO 5 HB2 PRO 5 9.085 2.834 -0.330
34 2HB PRO 5 HB1 PRO 5 7.977 3.842 -1.279
35 1HG PRO 5 HG2 PRO 5 8.540 3.895 1.668
36 2HG PRO 5 HG1 PRO 5 8.400 5.246 0.526
37 1HD PRO 5 HD2 PRO 5 6.376 4.557 2.160
38 2HD PRO 5 HD1 PRO 5 6.084 5.164 0.516
39 H GLN 6 HN GLN 6 6.705 1.792 2.413
40 HA GLN 6 HA GLN 6 8.696 -0.299 2.562
41 1HB GLN 6 HB2 GLN 6 6.810 0.762 4.677
42 2HB GLN 6 HB1 GLN 6 8.157 -0.338 4.960
43 1HG GLN 6 HG2 GLN 6 9.742 1.345 4.350
44 2HG GLN 6 HG1 GLN 6 8.456 2.435 3.831
45 1HE2 GLN 6 HE21 GLN 6 10.218 1.150 6.497
46 2HE2 GLN 6 HE22 GLN 6 9.535 2.164 7.718
47 H CYS 7 HN CYS 7 5.250 -0.024 2.263
48 HA CYS 7 HA CYS 7 4.646 -2.674 3.155
49 1HB CYS 7 HB2 CYS 7 2.923 -0.941 1.387
50 2HB CYS 7 HB1 CYS 7 2.412 -2.204 2.502
51 H GLY 8 HN GLY 8 5.437 -1.161 0.105
52 1HA GLY 8 HA2 GLY 8 5.779 -2.005 -1.997
53 2HA GLY 8 HA1 GLY 8 6.285 -3.465 -1.156
54 H ALA 9 HN ALA 9 5.405 -4.991 -2.459
55 HA ALA 9 HA ALA 9 2.966 -4.900 -3.776
56 1HB ALA 9 HB1 ALA 9 4.963 -6.615 -3.851
57 2HB ALA 9 HB2 ALA 9 3.336 -7.081 -4.349
58 3HB ALA 9 HB3 ALA 9 3.927 -7.519 -2.746
59 H ALA 10 HN ALA 10 3.615 -5.437 -0.425
60 HA ALA 10 HA ALA 10 0.952 -6.537 0.052
61 1HB ALA 10 HB1 ALA 10 3.455 -6.336 1.645
62 2HB ALA 10 HB2 ALA 10 2.392 -7.717 1.379
63 3HB ALA 10 HB3 ALA 10 1.917 -6.443 2.502
64 H TYR 11 HN TYR 11 1.145 -3.830 -0.890
65 HA TYR 11 HA TYR 11 0.809 -2.046 1.325
66 1HB TYR 11 HB2 TYR 11 -0.146 -0.531 -0.573
67 2HB TYR 11 HB1 TYR 11 1.570 -0.918 -0.555
68 HD1 TYR 11 HD1 TYR 11 2.117 -0.728 -2.829
69 HD2 TYR 11 HD2 TYR 11 -1.209 -3.119 -1.681
70 HE1 TYR 11 HE1 TYR 11 1.949 -1.589 -5.126
71 HE2 TYR 11 HE2 TYR 11 -1.385 -3.987 -3.973
72 HH TYR 11 HH TYR 11 1.050 -3.549 -6.297
73 H SER 12 HN SER 12 -1.310 -0.548 1.045
74 HA SER 12 HA SER 12 -3.703 -2.127 0.633
75 1HB SER 12 HB2 SER 12 -4.399 -1.230 3.067
76 2HB SER 12 HB1 SER 12 -3.644 -2.807 2.818
77 HG SER 12 HG SER 12 -2.102 -2.108 4.043
78 H CYS 13 HN CYS 13 -2.911 0.005 -0.827
79 HA CYS 13 HA CYS 13 -3.809 2.514 0.103
80 1HB CYS 13 HB2 CYS 13 -3.683 1.623 -2.778
81 2HB CYS 13 HB1 CYS 13 -3.577 3.268 -2.162
82 H ARG 14 HN ARG 14 -5.293 0.505 -2.427
83 HA ARG 14 HA ARG 14 -7.921 0.895 -1.273
84 1HB ARG 14 HB2 ARG 14 -7.151 2.819 -2.992
85 2HB ARG 14 HB1 ARG 14 -7.791 1.648 -4.137
86 1HG ARG 14 HG2 ARG 14 -9.939 1.858 -3.366
87 2HG ARG 14 HG1 ARG 14 -9.427 2.379 -1.759
88 1HD ARG 14 HD2 ARG 14 -8.457 4.397 -3.276
89 2HD ARG 14 HD1 ARG 14 -9.885 3.948 -4.208
90 HE ARG 14 HE ARG 14 -9.850 5.371 -1.769
91 1HH1 ARG 14 HH11 ARG 14 -11.647 2.896 -3.451
92 2HH1 ARG 14 HH12 ARG 14 -13.136 3.253 -2.644
93 1HH2 ARG 14 HH21 ARG 14 -11.808 5.842 -0.706
94 2HH2 ARG 14 HH22 ARG 14 -13.228 4.926 -1.086
95 H LYS 15 HN LYS 15 -6.462 -0.018 -4.401
96 HA LYS 15 HA LYS 15 -8.071 -2.477 -4.337
97 1HB LYS 15 HB2 LYS 15 -6.752 -1.026 -6.635
98 2HB LYS 15 HB1 LYS 15 -7.539 -2.590 -6.788
99 1HG LYS 15 HG2 LYS 15 -9.663 -1.656 -6.221
100 2HG LYS 15 HG1 LYS 15 -8.926 -0.107 -5.808
101 1HD LYS 15 HD2 LYS 15 -8.561 0.459 -8.013
102 2HD LYS 15 HD1 LYS 15 -8.541 -1.222 -8.550
103 1HE LYS 15 HE2 LYS 15 -10.962 -1.360 -8.141
104 2HE LYS 15 HE1 LYS 15 -10.965 0.336 -7.658
105 1HZ LYS 15 HZ1 LYS 15 -10.228 -0.707 -10.340
106 2HZ LYS 15 HZ2 LYS 15 -10.197 0.921 -9.882
107 3HZ LYS 15 HZ3 LYS 15 -11.668 0.089 -9.945
Start of MODEL 11
1 1H ARG 1 HT1 ARG 1 -3.405 -0.641 7.914
2 2H ARG 1 HT2 ARG 1 -4.910 0.096 7.544
3 3H ARG 1 HT3 ARG 1 -3.501 1.059 7.721
4 HA ARG 1 HA ARG 1 -4.094 -0.898 5.607
5 1HB ARG 1 HB2 ARG 1 -4.931 1.656 5.838
6 2HB ARG 1 HB1 ARG 1 -3.360 1.931 5.098
7 1HG ARG 1 HG2 ARG 1 -3.985 1.054 3.114
8 2HG ARG 1 HG1 ARG 1 -5.043 -0.149 3.855
9 1HD ARG 1 HD2 ARG 1 -6.666 1.173 3.006
10 2HD ARG 1 HD1 ARG 1 -6.387 2.086 4.488
11 HE ARG 1 HE ARG 1 -4.655 3.007 2.466
12 1HH1 ARG 1 HH11 ARG 1 -8.026 3.053 3.368
13 2HH1 ARG 1 HH12 ARG 1 -8.348 4.555 2.571
14 1HH2 ARG 1 HH21 ARG 1 -5.077 4.984 1.417
15 2HH2 ARG 1 HH22 ARG 1 -6.674 5.652 1.462
16 H CYS 2 HN CYS 2 -2.439 -0.593 3.789
17 HA CYS 2 HA CYS 2 0.248 -0.003 4.752
18 1HB CYS 2 HB2 CYS 2 -0.565 -2.563 4.944
19 2HB CYS 2 HB1 CYS 2 0.006 -2.565 3.275
20 H CYS 3 HN CYS 3 -0.959 1.620 3.061
21 HA CYS 3 HA CYS 3 -0.131 0.839 0.353
22 1HB CYS 3 HB2 CYS 3 -2.503 1.668 0.834
23 2HB CYS 3 HB1 CYS 3 -1.780 3.259 1.075
24 H HIS 4 HN HIS 4 1.694 1.726 2.503
25 HA HIS 4 HA HIS 4 2.708 4.202 1.277
26 1HB HIS 4 HB2 HIS 4 4.078 4.149 3.560
27 2HB HIS 4 HB1 HIS 4 2.479 4.874 3.444
28 HD1 HIS 4 HD1 HIS 4 3.406 1.205 3.851
29 HD2 HIS 4 HD2 HIS 4 1.363 4.235 5.824
30 HE1 HIS 4 HE1 HIS 4 2.368 0.114 5.865
31 HE2 HIS 4 HE2 HIS 4 1.209 1.985 7.091
32 HA PRO 5 HA PRO 5 6.469 2.575 -0.253
33 1HB PRO 5 HB2 PRO 5 7.806 4.178 1.885
34 2HB PRO 5 HB1 PRO 5 8.253 4.097 0.182
35 1HG PRO 5 HG2 PRO 5 6.912 6.185 1.103
36 2HG PRO 5 HG1 PRO 5 6.469 5.469 -0.458
37 1HD PRO 5 HD2 PRO 5 5.056 5.331 2.157
38 2HD PRO 5 HD1 PRO 5 4.395 5.293 0.511
39 H GLN 6 HN GLN 6 5.956 2.527 3.213
40 HA GLN 6 HA GLN 6 8.034 0.816 3.969
41 1HB GLN 6 HB2 GLN 6 5.275 0.935 5.199
42 2HB GLN 6 HB1 GLN 6 6.758 0.389 5.978
43 1HG GLN 6 HG2 GLN 6 6.092 3.189 5.102
44 2HG GLN 6 HG1 GLN 6 6.223 2.589 6.755
45 1HE2 GLN 6 HE21 GLN 6 8.015 3.184 7.717
46 2HE2 GLN 6 HE22 GLN 6 9.555 3.413 6.968
47 H CYS 7 HN CYS 7 4.922 0.155 2.510
48 HA CYS 7 HA CYS 7 5.303 -2.724 2.822
49 1HB CYS 7 HB2 CYS 7 3.028 -1.022 2.637
50 2HB CYS 7 HB1 CYS 7 2.995 -2.115 1.253
51 H GLY 8 HN GLY 8 5.525 -0.210 0.436
52 1HA GLY 8 HA2 GLY 8 6.130 -0.218 -1.774
53 2HA GLY 8 HA1 GLY 8 7.102 -1.616 -1.332
54 H ALA 9 HN ALA 9 6.767 -2.642 -3.307
55 HA ALA 9 HA ALA 9 4.436 -3.024 -4.695
56 1HB ALA 9 HB1 ALA 9 5.486 -4.785 -5.816
57 2HB ALA 9 HB2 ALA 9 6.436 -5.240 -4.402
58 3HB ALA 9 HB3 ALA 9 6.814 -3.757 -5.278
59 H ALA 10 HN ALA 10 5.348 -4.473 -1.673
60 HA ALA 10 HA ALA 10 3.230 -6.471 -1.853
61 1HB ALA 10 HB1 ALA 10 5.198 -5.981 0.378
62 2HB ALA 10 HB2 ALA 10 5.434 -7.114 -0.954
63 3HB ALA 10 HB3 ALA 10 4.127 -7.371 0.202
64 H TYR 11 HN TYR 11 2.346 -3.784 -1.830
65 HA TYR 11 HA TYR 11 1.435 -3.238 0.873
66 1HB TYR 11 HB2 TYR 11 0.211 -1.310 -0.352
67 2HB TYR 11 HB1 TYR 11 1.962 -1.243 -0.206
68 HD1 TYR 11 HD1 TYR 11 0.058 -3.322 -2.627
69 HD2 TYR 11 HD2 TYR 11 2.472 0.133 -2.043
70 HE1 TYR 11 HE1 TYR 11 0.245 -3.050 -5.062
71 HE2 TYR 11 HE2 TYR 11 2.666 0.414 -4.478
72 HH TYR 11 HH TYR 11 2.235 -1.754 -6.621
73 H SER 12 HN SER 12 -1.012 -2.368 0.825
74 HA SER 12 HA SER 12 -2.711 -4.268 -0.604
75 1HB SER 12 HB2 SER 12 -2.320 -4.154 2.349
76 2HB SER 12 HB1 SER 12 -3.960 -4.423 1.752
77 HG SER 12 HG SER 12 -1.674 -5.954 1.044
78 H CYS 13 HN CYS 13 -2.577 -1.737 -1.371
79 HA CYS 13 HA CYS 13 -4.178 0.141 -0.050
80 1HB CYS 13 HB2 CYS 13 -3.868 -0.066 -3.046
81 2HB CYS 13 HB1 CYS 13 -4.177 1.382 -2.095
82 H ARG 14 HN ARG 14 -6.306 0.933 -0.665
83 HA ARG 14 HA ARG 14 -8.065 -0.772 -2.167
84 1HB ARG 14 HB2 ARG 14 -7.760 -1.687 0.301
85 2HB ARG 14 HB1 ARG 14 -8.922 -0.420 0.670
86 1HG ARG 14 HG2 ARG 14 -10.179 -1.553 -1.396
87 2HG ARG 14 HG1 ARG 14 -9.277 -2.951 -0.808
88 1HD ARG 14 HD2 ARG 14 -10.483 -3.095 1.095
89 2HD ARG 14 HD1 ARG 14 -10.631 -1.345 1.257
90 HE ARG 14 HE ARG 14 -12.480 -3.132 -0.026
91 1HH1 ARG 14 HH11 ARG 14 -11.331 0.159 0.138
92 2HH1 ARG 14 HH12 ARG 14 -12.800 0.835 -0.480
93 1HH2 ARG 14 HH21 ARG 14 -14.414 -2.245 -0.839
94 2HH2 ARG 14 HH22 ARG 14 -14.551 -0.529 -1.034
95 H LYS 15 HN LYS 15 -7.217 1.983 -2.224
96 HA LYS 15 HA LYS 15 -9.146 3.722 -1.138
97 1HB LYS 15 HB2 LYS 15 -8.318 5.332 -2.873
98 2HB LYS 15 HB1 LYS 15 -7.056 4.622 -1.876
99 1HG LYS 15 HG2 LYS 15 -6.196 3.381 -3.601
100 2HG LYS 15 HG1 LYS 15 -7.726 3.342 -4.479
101 1HD LYS 15 HD2 LYS 15 -7.325 5.304 -5.523
102 2HD LYS 15 HD1 LYS 15 -6.543 6.014 -4.109
103 1HE LYS 15 HE2 LYS 15 -4.679 5.800 -5.356
104 2HE LYS 15 HE1 LYS 15 -4.725 4.136 -4.774
105 1HZ LYS 15 HZ1 LYS 15 -6.127 3.695 -6.839
106 2HZ LYS 15 HZ2 LYS 15 -4.470 3.947 -7.064
107 3HZ LYS 15 HZ3 LYS 15 -5.566 5.188 -7.403
Start of MODEL 12
1 1H ARG 1 HT1 ARG 1 -5.760 -2.330 5.119
2 2H ARG 1 HT2 ARG 1 -4.484 -1.966 6.208
3 3H ARG 1 HT3 ARG 1 -4.146 -2.743 4.715
4 HA ARG 1 HA ARG 1 -4.714 -0.856 3.495
5 1HB ARG 1 HB2 ARG 1 -5.700 0.113 6.171
6 2HB ARG 1 HB1 ARG 1 -5.371 1.228 4.852
7 1HG ARG 1 HG2 ARG 1 -6.939 -0.485 3.550
8 2HG ARG 1 HG1 ARG 1 -7.560 -0.730 5.184
9 1HD ARG 1 HD2 ARG 1 -8.003 1.638 5.407
10 2HD ARG 1 HD1 ARG 1 -7.280 1.950 3.829
11 HE ARG 1 HE ARG 1 -9.239 1.302 2.847
12 1HH1 ARG 1 HH11 ARG 1 -9.223 0.182 6.152
13 2HH1 ARG 1 HH12 ARG 1 -10.867 -0.358 6.109
14 1HH2 ARG 1 HH21 ARG 1 -11.403 0.592 2.788
15 2HH2 ARG 1 HH22 ARG 1 -12.105 -0.126 4.199
16 H CYS 2 HN CYS 2 -2.640 -0.549 2.945
17 HA CYS 2 HA CYS 2 -0.997 1.124 4.658
18 1HB CYS 2 HB2 CYS 2 0.969 -0.406 4.421
19 2HB CYS 2 HB1 CYS 2 -0.322 -1.051 5.435
20 H CYS 3 HN CYS 3 -0.340 2.713 3.381
21 HA CYS 3 HA CYS 3 0.307 2.084 0.576
22 1HB CYS 3 HB2 CYS 3 -1.696 3.563 0.951
23 2HB CYS 3 HB1 CYS 3 -0.601 4.763 1.638
24 H HIS 4 HN HIS 4 2.065 2.020 2.958
25 HA HIS 4 HA HIS 4 3.952 4.153 2.221
26 1HB HIS 4 HB2 HIS 4 4.935 3.027 4.558
27 2HB HIS 4 HB1 HIS 4 4.037 4.533 4.428
28 HD1 HIS 4 HD1 HIS 4 2.939 0.874 4.539
29 HD2 HIS 4 HD2 HIS 4 2.203 4.528 6.359
30 HE1 HIS 4 HE1 HIS 4 1.134 0.427 6.235
31 HE2 HIS 4 HE2 HIS 4 0.765 2.637 7.385
32 HA PRO 5 HA PRO 5 6.989 1.327 0.747
33 1HB PRO 5 HB2 PRO 5 9.258 1.843 2.229
34 2HB PRO 5 HB1 PRO 5 8.713 2.943 0.951
35 1HG PRO 5 HG2 PRO 5 8.274 3.104 3.912
36 2HG PRO 5 HG1 PRO 5 8.717 4.386 2.768
37 1HD PRO 5 HD2 PRO 5 6.207 4.129 3.644
38 2HD PRO 5 HD1 PRO 5 6.543 4.590 1.962
39 H GLN 6 HN GLN 6 6.147 1.217 4.077
40 HA GLN 6 HA GLN 6 7.681 -0.977 4.928
41 1HB GLN 6 HB2 GLN 6 6.034 0.677 6.204
42 2HB GLN 6 HB1 GLN 6 4.896 -0.643 5.941
43 1HG GLN 6 HG2 GLN 6 6.102 -2.116 7.263
44 2HG GLN 6 HG1 GLN 6 7.584 -1.168 7.140
45 1HE2 GLN 6 HE21 GLN 6 6.398 -2.135 9.535
46 2HE2 GLN 6 HE22 GLN 6 5.968 -0.764 10.494
47 H CYS 7 HN CYS 7 4.746 -0.745 3.053
48 HA CYS 7 HA CYS 7 4.377 -3.645 3.106
49 1HB CYS 7 HB2 CYS 7 2.672 -1.315 2.470
50 2HB CYS 7 HB1 CYS 7 2.410 -2.741 1.466
51 H GLY 8 HN GLY 8 5.536 -1.095 1.064
52 1HA GLY 8 HA2 GLY 8 6.513 -1.102 -1.002
53 2HA GLY 8 HA1 GLY 8 6.825 -2.809 -0.714
54 H ALA 9 HN ALA 9 6.371 -3.589 -2.723
55 HA ALA 9 HA ALA 9 4.329 -2.811 -4.426
56 1HB ALA 9 HB1 ALA 9 5.477 -5.586 -4.171
57 2HB ALA 9 HB2 ALA 9 6.220 -4.258 -5.061
58 3HB ALA 9 HB3 ALA 9 4.664 -4.905 -5.581
59 H ALA 10 HN ALA 10 4.127 -4.673 -1.528
60 HA ALA 10 HA ALA 10 1.499 -5.734 -2.218
61 1HB ALA 10 HB1 ALA 10 1.783 -7.273 -0.578
62 2HB ALA 10 HB2 ALA 10 2.628 -6.149 0.486
63 3HB ALA 10 HB3 ALA 10 3.481 -6.893 -0.867
64 H TYR 11 HN TYR 11 1.791 -2.866 -1.929
65 HA TYR 11 HA TYR 11 0.707 -2.134 0.632
66 1HB TYR 11 HB2 TYR 11 0.305 0.106 -0.641
67 2HB TYR 11 HB1 TYR 11 1.949 -0.390 -0.265
68 HD1 TYR 11 HD1 TYR 11 3.158 0.699 -1.955
69 HD2 TYR 11 HD2 TYR 11 -0.201 -1.691 -3.006
70 HE1 TYR 11 HE1 TYR 11 3.764 0.901 -4.330
71 HE2 TYR 11 HE2 TYR 11 0.396 -1.497 -5.382
72 HH TYR 11 HH TYR 11 3.400 -0.295 -6.431
73 H SER 12 HN SER 12 -1.303 -0.486 0.368
74 HA SER 12 HA SER 12 -3.356 -1.646 -1.340
75 1HB SER 12 HB2 SER 12 -3.273 -1.906 1.626
76 2HB SER 12 HB1 SER 12 -4.839 -1.563 0.884
77 HG SER 12 HG SER 12 -3.604 -3.888 1.049
78 H CYS 13 HN CYS 13 -2.304 0.769 -1.768
79 HA CYS 13 HA CYS 13 -3.403 2.943 -0.389
80 1HB CYS 13 HB2 CYS 13 -2.715 2.859 -3.331
81 2HB CYS 13 HB1 CYS 13 -2.781 4.284 -2.299
82 H ARG 14 HN ARG 14 -4.715 0.893 -2.895
83 HA ARG 14 HA ARG 14 -7.279 2.304 -2.626
84 1HB ARG 14 HB2 ARG 14 -7.662 1.778 -5.082
85 2HB ARG 14 HB1 ARG 14 -6.505 3.055 -4.731
86 1HG ARG 14 HG2 ARG 14 -4.683 1.742 -5.329
87 2HG ARG 14 HG1 ARG 14 -5.595 0.239 -5.170
88 1HD ARG 14 HD2 ARG 14 -5.325 0.627 -7.493
89 2HD ARG 14 HD1 ARG 14 -7.001 1.016 -7.107
90 HE ARG 14 HE ARG 14 -5.550 3.374 -6.913
91 1HH1 ARG 14 HH11 ARG 14 -6.393 1.051 -9.377
92 2HH1 ARG 14 HH12 ARG 14 -6.357 2.212 -10.661
93 1HH2 ARG 14 HH21 ARG 14 -5.502 4.903 -8.601
94 2HH2 ARG 14 HH22 ARG 14 -5.850 4.399 -10.221
95 H LYS 15 HN LYS 15 -6.376 -0.048 -1.279
96 HA LYS 15 HA LYS 15 -8.573 -1.780 -1.873
97 1HB LYS 15 HB2 LYS 15 -5.820 -2.506 -2.740
98 2HB LYS 15 HB1 LYS 15 -6.806 -3.774 -2.025
99 1HG LYS 15 HG2 LYS 15 -8.574 -2.776 -3.773
100 2HG LYS 15 HG1 LYS 15 -7.072 -2.397 -4.619
101 1HD LYS 15 HD2 LYS 15 -7.503 -5.130 -3.481
102 2HD LYS 15 HD1 LYS 15 -8.240 -4.689 -5.023
103 1HE LYS 15 HE2 LYS 15 -6.240 -5.577 -5.726
104 2HE LYS 15 HE1 LYS 15 -5.830 -3.866 -5.605
105 1HZ LYS 15 HZ1 LYS 15 -4.198 -5.458 -4.593
106 2HZ LYS 15 HZ2 LYS 15 -5.351 -5.787 -3.401
107 3HZ LYS 15 HZ3 LYS 15 -4.731 -4.223 -3.567
Start of MODEL 13
1 1H ARG 1 HT1 ARG 1 -2.363 -2.580 5.295
2 2H ARG 1 HT2 ARG 1 -4.006 -2.797 5.741
3 3H ARG 1 HT3 ARG 1 -2.784 -2.764 6.946
4 HA ARG 1 HA ARG 1 -3.868 -0.580 5.330
5 1HB ARG 1 HB2 ARG 1 -3.546 -1.281 8.231
6 2HB ARG 1 HB1 ARG 1 -3.730 0.400 7.749
7 1HG ARG 1 HG2 ARG 1 -5.910 0.156 7.226
8 2HG ARG 1 HG1 ARG 1 -5.697 -1.493 6.634
9 1HD ARG 1 HD2 ARG 1 -7.057 -1.469 8.652
10 2HD ARG 1 HD1 ARG 1 -5.526 -2.296 8.938
11 HE ARG 1 HE ARG 1 -4.959 -0.663 10.443
12 1HH1 ARG 1 HH11 ARG 1 -7.690 0.423 8.563
13 2HH1 ARG 1 HH12 ARG 1 -7.971 1.820 9.546
14 1HH2 ARG 1 HH21 ARG 1 -5.326 1.174 11.738
15 2HH2 ARG 1 HH22 ARG 1 -6.629 2.247 11.349
16 H CYS 2 HN CYS 2 -1.783 -0.552 4.109
17 HA CYS 2 HA CYS 2 -0.028 1.400 5.277
18 1HB CYS 2 HB2 CYS 2 2.043 0.032 4.877
19 2HB CYS 2 HB1 CYS 2 1.045 -0.521 6.223
20 H CYS 3 HN CYS 3 -0.395 2.757 3.590
21 HA CYS 3 HA CYS 3 0.036 1.771 0.867
22 1HB CYS 3 HB2 CYS 3 -2.000 3.173 1.537
23 2HB CYS 3 HB1 CYS 3 -0.886 4.538 1.637
24 H HIS 4 HN HIS 4 2.184 2.305 2.894
25 HA HIS 4 HA HIS 4 3.623 4.512 1.633
26 1HB HIS 4 HB2 HIS 4 5.076 3.177 3.756
27 2HB HIS 4 HB1 HIS 4 4.573 4.858 3.628
28 HD1 HIS 4 HD1 HIS 4 1.553 4.610 3.869
29 HD2 HIS 4 HD2 HIS 4 4.230 2.476 6.213
30 HE1 HIS 4 HE1 HIS 4 0.276 3.987 5.944
31 HE2 HIS 4 HE2 HIS 4 1.946 2.775 7.391
32 HA PRO 5 HA PRO 5 6.487 1.968 -0.559
33 1HB PRO 5 HB2 PRO 5 8.957 2.947 0.094
34 2HB PRO 5 HB1 PRO 5 7.846 3.895 -0.913
35 1HG PRO 5 HG2 PRO 5 8.369 4.086 2.036
36 2HG PRO 5 HG1 PRO 5 8.225 5.383 0.834
37 1HD PRO 5 HD2 PRO 5 6.189 4.739 2.468
38 2HD PRO 5 HD1 PRO 5 5.909 5.261 0.794
39 H GLN 6 HN GLN 6 6.577 1.990 2.854
40 HA GLN 6 HA GLN 6 8.665 0.110 3.268
41 1HB GLN 6 HB2 GLN 6 6.460 1.262 4.901
42 2HB GLN 6 HB1 GLN 6 7.174 -0.249 5.457
43 1HG GLN 6 HG2 GLN 6 9.152 0.717 5.989
44 2HG GLN 6 HG1 GLN 6 9.036 1.924 4.709
45 1HE2 GLN 6 HE21 GLN 6 9.007 1.498 7.953
46 2HE2 GLN 6 HE22 GLN 6 8.143 2.916 8.431
47 H CYS 7 HN CYS 7 5.316 -0.143 2.379
48 HA CYS 7 HA CYS 7 5.330 -3.038 2.824
49 1HB CYS 7 HB2 CYS 7 3.221 -0.972 2.513
50 2HB CYS 7 HB1 CYS 7 2.859 -2.573 1.867
51 H GLY 8 HN GLY 8 5.621 -0.689 0.324
52 1HA GLY 8 HA2 GLY 8 5.851 -0.853 -1.947
53 2HA GLY 8 HA1 GLY 8 6.470 -2.466 -1.616
54 H ALA 9 HN ALA 9 5.546 -3.364 -3.454
55 HA ALA 9 HA ALA 9 3.003 -3.085 -4.436
56 1HB ALA 9 HB1 ALA 9 4.402 -5.742 -4.363
57 2HB ALA 9 HB2 ALA 9 4.925 -4.418 -5.403
58 3HB ALA 9 HB3 ALA 9 3.315 -5.110 -5.599
59 H ALA 10 HN ALA 10 3.958 -4.701 -1.521
60 HA ALA 10 HA ALA 10 1.412 -6.096 -1.289
61 1HB ALA 10 HB1 ALA 10 3.001 -7.508 -0.475
62 2HB ALA 10 HB2 ALA 10 2.561 -6.683 1.020
63 3HB ALA 10 HB3 ALA 10 4.011 -6.200 0.140
64 H TYR 11 HN TYR 11 1.271 -3.237 -1.307
65 HA TYR 11 HA TYR 11 0.940 -2.359 1.420
66 1HB TYR 11 HB2 TYR 11 -0.060 -0.302 0.273
67 2HB TYR 11 HB1 TYR 11 1.636 -0.645 -0.041
68 HD1 TYR 11 HD1 TYR 11 2.275 -0.207 -2.199
69 HD2 TYR 11 HD2 TYR 11 -1.639 -1.729 -1.515
70 HE1 TYR 11 HE1 TYR 11 1.841 -0.165 -4.619
71 HE2 TYR 11 HE2 TYR 11 -2.082 -1.694 -3.932
72 HH TYR 11 HH TYR 11 -0.737 -0.045 -6.025
73 H SER 12 HN SER 12 -1.279 -1.004 1.679
74 HA SER 12 HA SER 12 -3.498 -2.771 0.915
75 1HB SER 12 HB2 SER 12 -3.680 -1.556 3.607
76 2HB SER 12 HB1 SER 12 -4.171 -3.161 3.054
77 HG SER 12 HG SER 12 -2.349 -3.905 3.766
78 H CYS 13 HN CYS 13 -2.966 -0.512 -0.472
79 HA CYS 13 HA CYS 13 -4.440 1.729 0.587
80 1HB CYS 13 HB2 CYS 13 -2.459 1.436 -1.324
81 2HB CYS 13 HB1 CYS 13 -3.892 1.788 -2.284
82 H ARG 14 HN ARG 14 -5.821 2.687 -1.582
83 HA ARG 14 HA ARG 14 -8.189 1.051 -1.490
84 1HB ARG 14 HB2 ARG 14 -7.501 3.772 -2.487
85 2HB ARG 14 HB1 ARG 14 -8.922 2.987 -3.162
86 1HG ARG 14 HG2 ARG 14 -9.886 2.758 -0.956
87 2HG ARG 14 HG1 ARG 14 -8.433 3.442 -0.226
88 1HD ARG 14 HD2 ARG 14 -10.477 4.805 -1.956
89 2HD ARG 14 HD1 ARG 14 -9.995 5.203 -0.309
90 HE ARG 14 HE ARG 14 -8.129 6.299 -1.132
91 1HH1 ARG 14 HH11 ARG 14 -9.807 4.668 -3.727
92 2HH1 ARG 14 HH12 ARG 14 -8.938 5.497 -4.973
93 1HH2 ARG 14 HH21 ARG 14 -6.989 7.386 -2.773
94 2HH2 ARG 14 HH22 ARG 14 -7.339 7.038 -4.433
95 H LYS 15 HN LYS 15 -7.777 -0.811 -2.648
96 HA LYS 15 HA LYS 15 -7.999 -0.562 -5.512
97 1HB LYS 15 HB2 LYS 15 -6.012 -2.152 -5.840
98 2HB LYS 15 HB1 LYS 15 -5.657 -0.459 -5.526
99 1HG LYS 15 HG2 LYS 15 -4.595 -0.917 -3.617
100 2HG LYS 15 HG1 LYS 15 -5.822 -2.077 -3.105
101 1HD LYS 15 HD2 LYS 15 -3.760 -2.683 -5.215
102 2HD LYS 15 HD1 LYS 15 -3.514 -3.020 -3.500
103 1HE LYS 15 HE2 LYS 15 -6.017 -4.006 -4.750
104 2HE LYS 15 HE1 LYS 15 -4.515 -4.823 -5.182
105 1HZ LYS 15 HZ1 LYS 15 -4.117 -4.998 -2.709
106 2HZ LYS 15 HZ2 LYS 15 -5.356 -5.965 -3.334
107 3HZ LYS 15 HZ3 LYS 15 -5.733 -4.543 -2.499
Start of MODEL 14
1 1H ARG 1 HT1 ARG 1 -2.021 -5.057 5.389
2 2H ARG 1 HT2 ARG 1 -3.667 -5.280 5.822
3 3H ARG 1 HT3 ARG 1 -2.585 -4.520 6.916
4 HA ARG 1 HA ARG 1 -3.367 -3.481 4.276
5 1HB ARG 1 HB2 ARG 1 -5.223 -3.521 5.882
6 2HB ARG 1 HB1 ARG 1 -4.219 -2.706 7.074
7 1HG ARG 1 HG2 ARG 1 -4.023 -0.926 5.108
8 2HG ARG 1 HG1 ARG 1 -5.585 -1.628 4.683
9 1HD ARG 1 HD2 ARG 1 -6.616 -0.765 6.498
10 2HD ARG 1 HD1 ARG 1 -5.204 -0.981 7.532
11 HE ARG 1 HE ARG 1 -4.552 1.158 7.038
12 1HH1 ARG 1 HH11 ARG 1 -7.009 0.169 4.766
13 2HH1 ARG 1 HH12 ARG 1 -7.182 1.747 4.074
14 1HH2 ARG 1 HH21 ARG 1 -4.779 3.234 6.130
15 2HH2 ARG 1 HH22 ARG 1 -5.916 3.487 4.848
16 H CYS 2 HN CYS 2 -1.583 -2.492 3.544
17 HA CYS 2 HA CYS 2 -0.353 -0.460 5.235
18 1HB CYS 2 HB2 CYS 2 1.938 -1.236 4.448
19 2HB CYS 2 HB1 CYS 2 1.148 -2.247 5.659
20 H CYS 3 HN CYS 3 -0.714 1.312 4.066
21 HA CYS 3 HA CYS 3 -0.205 1.200 1.167
22 1HB CYS 3 HB2 CYS 3 -2.559 1.733 1.958
23 2HB CYS 3 HB1 CYS 3 -1.908 3.248 2.584
24 H HIS 4 HN HIS 4 1.778 1.640 3.275
25 HA HIS 4 HA HIS 4 2.562 4.410 2.652
26 1HB HIS 4 HB2 HIS 4 4.207 3.705 4.719
27 2HB HIS 4 HB1 HIS 4 2.693 4.582 4.897
28 HD1 HIS 4 HD1 HIS 4 3.415 0.854 4.507
29 HD2 HIS 4 HD2 HIS 4 1.485 3.519 7.035
30 HE1 HIS 4 HE1 HIS 4 2.351 -0.565 6.290
31 HE2 HIS 4 HE2 HIS 4 1.099 1.062 7.751
32 HA PRO 5 HA PRO 5 6.212 3.046 0.594
33 1HB PRO 5 HB2 PRO 5 8.222 4.588 1.624
34 2HB PRO 5 HB1 PRO 5 6.971 5.304 0.591
35 1HG PRO 5 HG2 PRO 5 7.167 5.263 3.584
36 2HG PRO 5 HG1 PRO 5 6.748 6.606 2.504
37 1HD PRO 5 HD2 PRO 5 4.867 5.209 3.826
38 2HD PRO 5 HD1 PRO 5 4.580 5.847 2.194
39 H GLN 6 HN GLN 6 5.516 1.417 2.839
40 HA GLN 6 HA GLN 6 8.180 0.527 3.703
41 1HB GLN 6 HB2 GLN 6 5.618 0.008 5.210
42 2HB GLN 6 HB1 GLN 6 7.272 -0.227 5.771
43 1HG GLN 6 HG2 GLN 6 6.065 2.452 5.125
44 2HG GLN 6 HG1 GLN 6 6.132 1.750 6.741
45 1HE2 GLN 6 HE21 GLN 6 7.375 4.171 5.462
46 2HE2 GLN 6 HE22 GLN 6 9.055 4.045 5.846
47 H CYS 7 HN CYS 7 5.092 -0.293 2.330
48 HA CYS 7 HA CYS 7 5.798 -3.135 2.231
49 1HB CYS 7 HB2 CYS 7 3.270 -1.593 2.051
50 2HB CYS 7 HB1 CYS 7 3.370 -3.056 1.070
51 H GLY 8 HN GLY 8 6.198 -0.400 0.371
52 1HA GLY 8 HA2 GLY 8 6.769 -0.044 -1.814
53 2HA GLY 8 HA1 GLY 8 7.242 -1.738 -1.828
54 H ALA 9 HN ALA 9 6.514 -2.155 -3.895
55 HA ALA 9 HA ALA 9 4.014 -1.408 -4.926
56 1HB ALA 9 HB1 ALA 9 4.448 -3.357 -6.530
57 2HB ALA 9 HB2 ALA 9 5.975 -3.551 -5.669
58 3HB ALA 9 HB3 ALA 9 5.617 -2.038 -6.501
59 H ALA 10 HN ALA 10 4.794 -3.768 -2.587
60 HA ALA 10 HA ALA 10 2.427 -5.377 -3.135
61 1HB ALA 10 HB1 ALA 10 3.368 -6.530 -0.948
62 2HB ALA 10 HB2 ALA 10 4.841 -5.691 -1.436
63 3HB ALA 10 HB3 ALA 10 4.071 -6.835 -2.537
64 H TYR 11 HN TYR 11 2.315 -2.530 -2.135
65 HA TYR 11 HA TYR 11 1.527 -2.496 0.562
66 1HB TYR 11 HB2 TYR 11 0.223 -0.397 -0.181
67 2HB TYR 11 HB1 TYR 11 1.973 -0.387 -0.356
68 HD1 TYR 11 HD1 TYR 11 2.699 0.649 -2.271
69 HD2 TYR 11 HD2 TYR 11 -0.925 -1.574 -2.414
70 HE1 TYR 11 HE1 TYR 11 2.460 1.202 -4.655
71 HE2 TYR 11 HE2 TYR 11 -1.173 -1.029 -4.798
72 HH TYR 11 HH TYR 11 1.352 0.387 -6.633
73 H SER 12 HN SER 12 -0.889 -1.575 0.966
74 HA SER 12 HA SER 12 -2.855 -3.175 -0.461
75 1HB SER 12 HB2 SER 12 -3.641 -3.715 2.102
76 2HB SER 12 HB1 SER 12 -2.716 -4.825 1.085
77 HG SER 12 HG SER 12 -1.504 -4.676 2.868
78 H CYS 13 HN CYS 13 -3.389 -0.946 -1.065
79 HA CYS 13 HA CYS 13 -4.548 0.719 1.017
80 1HB CYS 13 HB2 CYS 13 -3.284 1.259 -1.404
81 2HB CYS 13 HB1 CYS 13 -4.975 1.638 -1.712
82 H ARG 14 HN ARG 14 -6.700 1.842 0.285
83 HA ARG 14 HA ARG 14 -8.657 -0.264 0.106
84 1HB ARG 14 HB2 ARG 14 -8.713 2.672 0.632
85 2HB ARG 14 HB1 ARG 14 -10.197 1.896 0.097
86 1HG ARG 14 HG2 ARG 14 -8.772 0.553 2.296
87 2HG ARG 14 HG1 ARG 14 -9.471 2.130 2.671
88 1HD ARG 14 HD2 ARG 14 -11.206 0.680 3.169
89 2HD ARG 14 HD1 ARG 14 -11.593 1.189 1.526
90 HE ARG 14 HE ARG 14 -10.067 -1.105 1.298
91 1HH1 ARG 14 HH11 ARG 14 -13.135 -0.203 2.694
92 2HH1 ARG 14 HH12 ARG 14 -13.840 -1.769 2.467
93 1HH2 ARG 14 HH21 ARG 14 -10.992 -3.165 0.999
94 2HH2 ARG 14 HH22 ARG 14 -12.623 -3.450 1.506
95 H LYS 15 HN LYS 15 -7.886 2.629 -1.824
96 HA LYS 15 HA LYS 15 -9.745 2.171 -3.868
97 1HB LYS 15 HB2 LYS 15 -7.082 3.598 -3.963
98 2HB LYS 15 HB1 LYS 15 -8.297 3.671 -5.232
99 1HG LYS 15 HG2 LYS 15 -9.795 4.413 -3.136
100 2HG LYS 15 HG1 LYS 15 -8.217 4.996 -2.601
101 1HD LYS 15 HD2 LYS 15 -8.050 6.520 -4.310
102 2HD LYS 15 HD1 LYS 15 -9.083 5.581 -5.390
103 1HE LYS 15 HE2 LYS 15 -10.142 7.675 -4.601
104 2HE LYS 15 HE1 LYS 15 -11.046 6.227 -4.159
105 1HZ LYS 15 HZ1 LYS 15 -9.107 7.417 -2.281
106 2HZ LYS 15 HZ2 LYS 15 -10.434 6.422 -1.950
107 3HZ LYS 15 HZ3 LYS 15 -10.679 8.034 -2.398
Start of MODEL 15
1 1H ARG 1 HT1 ARG 1 -4.482 0.501 6.839
2 2H ARG 1 HT2 ARG 1 -3.497 1.655 7.642
3 3H ARG 1 HT3 ARG 1 -2.776 0.407 6.709
4 HA ARG 1 HA ARG 1 -4.045 1.347 4.783
5 1HB ARG 1 HB2 ARG 1 -4.201 3.604 6.790
6 2HB ARG 1 HB1 ARG 1 -4.513 3.791 5.070
7 1HG ARG 1 HG2 ARG 1 -6.548 2.832 5.195
8 2HG ARG 1 HG1 ARG 1 -6.047 1.676 6.431
9 1HD ARG 1 HD2 ARG 1 -7.431 2.993 7.679
10 2HD ARG 1 HD1 ARG 1 -5.912 3.857 7.913
11 HE ARG 1 HE ARG 1 -7.124 4.951 5.673
12 1HH1 ARG 1 HH11 ARG 1 -7.807 4.641 9.081
13 2HH1 ARG 1 HH12 ARG 1 -8.729 6.105 9.157
14 1HH2 ARG 1 HH21 ARG 1 -8.337 6.877 5.771
15 2HH2 ARG 1 HH22 ARG 1 -9.031 7.374 7.278
16 H CYS 2 HN CYS 2 -1.802 0.629 4.426
17 HA CYS 2 HA CYS 2 0.117 2.859 4.576
18 1HB CYS 2 HB2 CYS 2 1.874 1.071 4.365
19 2HB CYS 2 HB1 CYS 2 0.939 1.012 5.859
20 H CYS 3 HN CYS 3 0.600 3.803 2.715
21 HA CYS 3 HA CYS 3 0.315 2.240 0.233
22 1HB CYS 3 HB2 CYS 3 -1.389 4.057 0.550
23 2HB CYS 3 HB1 CYS 3 -0.068 5.225 0.508
24 H HIS 4 HN HIS 4 2.680 2.649 1.973
25 HA HIS 4 HA HIS 4 4.416 4.092 0.086
26 1HB HIS 4 HB2 HIS 4 5.950 3.661 2.351
27 2HB HIS 4 HB1 HIS 4 5.138 5.160 1.921
28 HD1 HIS 4 HD1 HIS 4 3.915 1.949 3.594
29 HD2 HIS 4 HD2 HIS 4 3.932 6.064 4.117
30 HE1 HIS 4 HE1 HIS 4 2.647 2.358 5.728
31 HE2 HIS 4 HE2 HIS 4 2.745 4.852 6.071
32 HA PRO 5 HA PRO 5 6.705 0.478 -0.951
33 1HB PRO 5 HB2 PRO 5 9.335 1.085 -0.392
34 2HB PRO 5 HB1 PRO 5 8.503 1.776 -1.797
35 1HG PRO 5 HG2 PRO 5 8.970 2.971 0.914
36 2HG PRO 5 HG1 PRO 5 9.135 3.716 -0.689
37 1HD PRO 5 HD2 PRO 5 6.983 4.168 0.830
38 2HD PRO 5 HD1 PRO 5 6.838 3.998 -0.931
39 H GLN 6 HN GLN 6 6.852 1.624 2.282
40 HA GLN 6 HA GLN 6 8.443 -0.366 3.469
41 1HB GLN 6 HB2 GLN 6 6.327 1.508 4.435
42 2HB GLN 6 HB1 GLN 6 6.824 0.189 5.492
43 1HG GLN 6 HG2 GLN 6 8.325 1.698 6.202
44 2HG GLN 6 HG1 GLN 6 9.232 1.140 4.797
45 1HE2 GLN 6 HE21 GLN 6 8.541 3.803 6.388
46 2HE2 GLN 6 HE22 GLN 6 8.451 4.956 5.104
47 H CYS 7 HN CYS 7 5.108 -0.321 2.433
48 HA CYS 7 HA CYS 7 4.598 -2.932 3.642
49 1HB CYS 7 HB2 CYS 7 2.930 -0.724 2.600
50 2HB CYS 7 HB1 CYS 7 2.312 -2.348 2.297
51 H GLY 8 HN GLY 8 5.391 -1.495 0.606
52 1HA GLY 8 HA2 GLY 8 5.774 -2.384 -1.464
53 2HA GLY 8 HA1 GLY 8 5.946 -3.928 -0.639
54 H ALA 9 HN ALA 9 4.851 -5.258 -1.985
55 HA ALA 9 HA ALA 9 2.495 -4.620 -3.367
56 1HB ALA 9 HB1 ALA 9 4.203 -6.609 -3.607
57 2HB ALA 9 HB2 ALA 9 2.531 -6.769 -4.144
58 3HB ALA 9 HB3 ALA 9 3.026 -7.441 -2.590
59 H ALA 10 HN ALA 10 2.970 -5.340 -0.061
60 HA ALA 10 HA ALA 10 0.228 -6.255 0.326
61 1HB ALA 10 HB1 ALA 10 2.704 -6.282 1.940
62 2HB ALA 10 HB2 ALA 10 1.462 -7.519 1.740
63 3HB ALA 10 HB3 ALA 10 1.181 -6.153 2.820
64 H TYR 11 HN TYR 11 0.934 -3.448 -0.492
65 HA TYR 11 HA TYR 11 0.458 -1.751 1.739
66 1HB TYR 11 HB2 TYR 11 -0.178 -0.083 -0.167
67 2HB TYR 11 HB1 TYR 11 1.490 -0.613 0.001
68 HD1 TYR 11 HD1 TYR 11 -1.260 -2.618 -1.473
69 HD2 TYR 11 HD2 TYR 11 2.216 -0.282 -2.222
70 HE1 TYR 11 HE1 TYR 11 -1.269 -3.367 -3.813
71 HE2 TYR 11 HE2 TYR 11 2.216 -1.026 -4.566
72 HH TYR 11 HH TYR 11 0.279 -1.914 -6.216
73 H SER 12 HN SER 12 -1.489 -0.057 1.328
74 HA SER 12 HA SER 12 -3.952 -1.526 0.760
75 1HB SER 12 HB2 SER 12 -3.105 -0.496 3.421
76 2HB SER 12 HB1 SER 12 -4.797 -0.265 2.969
77 HG SER 12 HG SER 12 -4.659 -2.237 3.959
78 H CYS 13 HN CYS 13 -3.088 0.229 -0.987
79 HA CYS 13 HA CYS 13 -4.147 2.873 -0.387
80 1HB CYS 13 HB2 CYS 13 -2.051 1.998 -1.957
81 2HB CYS 13 HB1 CYS 13 -3.292 2.387 -3.143
82 H ARG 14 HN ARG 14 -4.904 0.049 -2.319
83 HA ARG 14 HA ARG 14 -7.634 0.905 -2.590
84 1HB ARG 14 HB2 ARG 14 -6.058 1.865 -4.547
85 2HB ARG 14 HB1 ARG 14 -6.427 0.287 -5.228
86 1HG ARG 14 HG2 ARG 14 -8.595 0.801 -5.602
87 2HG ARG 14 HG1 ARG 14 -8.712 1.831 -4.174
88 1HD ARG 14 HD2 ARG 14 -6.984 3.263 -5.678
89 2HD ARG 14 HD1 ARG 14 -7.946 2.497 -6.941
90 HE ARG 14 HE ARG 14 -8.771 4.593 -5.187
91 1HH1 ARG 14 HH11 ARG 14 -9.911 1.834 -6.995
92 2HH1 ARG 14 HH12 ARG 14 -11.528 2.439 -7.137
93 1HH2 ARG 14 HH21 ARG 14 -10.897 5.389 -5.373
94 2HH2 ARG 14 HH22 ARG 14 -12.087 4.457 -6.217
95 H LYS 15 HN LYS 15 -5.468 -1.266 -4.413
96 HA LYS 15 HA LYS 15 -7.266 -3.488 -3.718
97 1HB LYS 15 HB2 LYS 15 -6.083 -4.629 -5.679
98 2HB LYS 15 HB1 LYS 15 -7.189 -3.316 -6.062
99 1HG LYS 15 HG2 LYS 15 -5.523 -1.925 -6.752
100 2HG LYS 15 HG1 LYS 15 -4.322 -2.652 -5.682
101 1HD LYS 15 HD2 LYS 15 -3.609 -3.411 -7.736
102 2HD LYS 15 HD1 LYS 15 -4.650 -4.741 -7.223
103 1HE LYS 15 HE2 LYS 15 -6.516 -3.506 -8.474
104 2HE LYS 15 HE1 LYS 15 -5.219 -2.570 -9.217
105 1HZ LYS 15 HZ1 LYS 15 -5.601 -5.510 -9.368
106 2HZ LYS 15 HZ2 LYS 15 -4.241 -4.698 -9.962
107 3HZ LYS 15 HZ3 LYS 15 -5.765 -4.397 -10.632
Start of MODEL 16
1 1H ARG 1 HT1 ARG 1 -4.545 1.061 7.319
2 2H ARG 1 HT2 ARG 1 -4.370 -0.417 6.464
3 3H ARG 1 HT3 ARG 1 -5.759 0.562 6.217
4 HA ARG 1 HA ARG 1 -4.475 0.969 4.395
5 1HB ARG 1 HB2 ARG 1 -3.684 3.097 6.390
6 2HB ARG 1 HB1 ARG 1 -3.875 3.292 4.653
7 1HG ARG 1 HG2 ARG 1 -5.825 4.206 5.455
8 2HG ARG 1 HG1 ARG 1 -6.322 2.550 5.101
9 1HD ARG 1 HD2 ARG 1 -6.631 2.039 7.276
10 2HD ARG 1 HD1 ARG 1 -5.248 2.997 7.804
11 HE ARG 1 HE ARG 1 -6.704 4.667 8.306
12 1HH1 ARG 1 HH11 ARG 1 -8.173 2.660 5.858
13 2HH1 ARG 1 HH12 ARG 1 -9.662 3.545 5.848
14 1HH2 ARG 1 HH21 ARG 1 -8.661 5.832 8.295
15 2HH2 ARG 1 HH22 ARG 1 -9.939 5.346 7.232
16 H CYS 2 HN CYS 2 -2.558 0.840 3.328
17 HA CYS 2 HA CYS 2 -0.041 0.983 4.739
18 1HB CYS 2 HB2 CYS 2 -1.111 -1.444 4.861
19 2HB CYS 2 HB1 CYS 2 -0.441 -1.565 3.234
20 H CYS 3 HN CYS 3 -0.237 2.789 3.103
21 HA CYS 3 HA CYS 3 0.556 1.876 0.420
22 1HB CYS 3 HB2 CYS 3 -1.487 3.369 0.691
23 2HB CYS 3 HB1 CYS 3 -0.370 4.654 1.151
24 H HIS 4 HN HIS 4 2.303 2.064 2.782
25 HA HIS 4 HA HIS 4 4.058 4.295 2.107
26 1HB HIS 4 HB2 HIS 4 5.060 2.561 4.202
27 2HB HIS 4 HB1 HIS 4 4.679 4.277 4.255
28 HD1 HIS 4 HD1 HIS 4 1.651 4.233 3.971
29 HD2 HIS 4 HD2 HIS 4 3.778 1.589 6.360
30 HE1 HIS 4 HE1 HIS 4 0.011 3.424 5.698
31 HE2 HIS 4 HE2 HIS 4 1.346 1.892 7.190
32 HA PRO 5 HA PRO 5 7.109 1.878 0.028
33 1HB PRO 5 HB2 PRO 5 9.484 2.584 1.186
34 2HB PRO 5 HB1 PRO 5 8.594 3.739 0.176
35 1HG PRO 5 HG2 PRO 5 8.647 3.477 3.165
36 2HG PRO 5 HG1 PRO 5 8.757 4.937 2.163
37 1HD PRO 5 HD2 PRO 5 6.459 4.209 3.356
38 2HD PRO 5 HD1 PRO 5 6.475 4.985 1.758
39 H GLN 6 HN GLN 6 6.634 1.416 3.372
40 HA GLN 6 HA GLN 6 8.489 -0.788 3.627
41 1HB GLN 6 HB2 GLN 6 7.536 -1.031 5.887
42 2HB GLN 6 HB1 GLN 6 8.063 0.620 5.567
43 1HG GLN 6 HG2 GLN 6 5.963 1.453 5.645
44 2HG GLN 6 HG1 GLN 6 5.236 -0.011 4.985
45 1HE2 GLN 6 HE21 GLN 6 5.744 1.821 7.738
46 2HE2 GLN 6 HE22 GLN 6 5.242 0.664 8.919
47 H CYS 7 HN CYS 7 5.156 -0.293 2.799
48 HA CYS 7 HA CYS 7 4.309 -2.980 3.299
49 1HB CYS 7 HB2 CYS 7 2.965 -0.992 1.472
50 2HB CYS 7 HB1 CYS 7 2.232 -2.323 2.362
51 H GLY 8 HN GLY 8 5.702 -1.241 0.616
52 1HA GLY 8 HA2 GLY 8 6.383 -1.900 -1.468
53 2HA GLY 8 HA1 GLY 8 6.592 -3.484 -0.735
54 H ALA 9 HN ALA 9 5.891 -4.692 -2.449
55 HA ALA 9 HA ALA 9 3.725 -4.209 -4.103
56 1HB ALA 9 HB1 ALA 9 5.239 -6.640 -3.321
57 2HB ALA 9 HB2 ALA 9 5.022 -5.901 -4.907
58 3HB ALA 9 HB3 ALA 9 3.721 -6.852 -4.191
59 H ALA 10 HN ALA 10 3.742 -5.286 -0.818
60 HA ALA 10 HA ALA 10 0.981 -6.219 -0.964
61 1HB ALA 10 HB1 ALA 10 1.368 -7.378 0.933
62 2HB ALA 10 HB2 ALA 10 2.340 -6.093 1.650
63 3HB ALA 10 HB3 ALA 10 3.053 -7.174 0.453
64 H TYR 11 HN TYR 11 1.477 -3.429 -1.447
65 HA TYR 11 HA TYR 11 0.910 -1.906 0.888
66 1HB TYR 11 HB2 TYR 11 0.268 -0.123 -0.858
67 2HB TYR 11 HB1 TYR 11 1.936 -0.680 -0.828
68 HD1 TYR 11 HD1 TYR 11 2.879 -0.926 -2.910
69 HD2 TYR 11 HD2 TYR 11 -1.259 -1.795 -2.438
70 HE1 TYR 11 HE1 TYR 11 2.733 -1.497 -5.297
71 HE2 TYR 11 HE2 TYR 11 -1.416 -2.370 -4.823
72 HH TYR 11 HH TYR 11 0.528 -3.243 -6.639
73 H SER 12 HN SER 12 -1.114 -0.288 0.559
74 HA SER 12 HA SER 12 -3.502 -1.738 -0.235
75 1HB SER 12 HB2 SER 12 -2.740 -2.077 2.334
76 2HB SER 12 HB1 SER 12 -3.683 -0.592 2.495
77 HG SER 12 HG SER 12 -4.530 -3.102 1.494
78 H CYS 13 HN CYS 13 -2.477 0.445 -1.466
79 HA CYS 13 HA CYS 13 -3.464 2.915 -0.467
80 1HB CYS 13 HB2 CYS 13 -2.907 2.318 -3.368
81 2HB CYS 13 HB1 CYS 13 -2.776 3.861 -2.530
82 H ARG 14 HN ARG 14 -4.759 0.445 -2.596
83 HA ARG 14 HA ARG 14 -7.428 1.437 -2.209
84 1HB ARG 14 HB2 ARG 14 -7.915 1.682 -4.639
85 2HB ARG 14 HB1 ARG 14 -6.811 2.901 -4.018
86 1HG ARG 14 HG2 ARG 14 -4.947 1.352 -4.870
87 2HG ARG 14 HG1 ARG 14 -6.227 0.568 -5.799
88 1HD ARG 14 HD2 ARG 14 -5.451 3.480 -5.915
89 2HD ARG 14 HD1 ARG 14 -5.117 2.259 -7.143
90 HE ARG 14 HE ARG 14 -7.853 2.260 -6.788
91 1HH1 ARG 14 HH11 ARG 14 -5.420 4.556 -7.783
92 2HH1 ARG 14 HH12 ARG 14 -6.497 5.442 -8.809
93 1HH2 ARG 14 HH21 ARG 14 -9.271 3.424 -8.138
94 2HH2 ARG 14 HH22 ARG 14 -8.683 4.800 -9.011
95 H LYS 15 HN LYS 15 -9.015 -0.080 -2.733
96 HA LYS 15 HA LYS 15 -9.889 -2.163 -3.001
97 1HB LYS 15 HB2 LYS 15 -7.578 -2.738 -4.850
98 2HB LYS 15 HB1 LYS 15 -9.187 -3.448 -4.876
99 1HG LYS 15 HG2 LYS 15 -10.122 -1.276 -5.525
100 2HG LYS 15 HG1 LYS 15 -8.495 -0.593 -5.535
101 1HD LYS 15 HD2 LYS 15 -7.937 -2.470 -7.198
102 2HD LYS 15 HD1 LYS 15 -9.684 -2.651 -7.368
103 1HE LYS 15 HE2 LYS 15 -8.108 -0.125 -7.853
104 2HE LYS 15 HE1 LYS 15 -8.764 -1.188 -9.098
105 1HZ LYS 15 HZ1 LYS 15 -10.838 -0.401 -8.801
106 2HZ LYS 15 HZ2 LYS 15 -10.035 0.956 -8.187
107 3HZ LYS 15 HZ3 LYS 15 -10.662 -0.205 -7.129
Start of MODEL 17
1 1H ARG 1 HT1 ARG 1 -4.325 -5.520 5.422
2 2H ARG 1 HT2 ARG 1 -4.425 -4.077 6.346
3 3H ARG 1 HT3 ARG 1 -2.942 -4.935 6.247
4 HA ARG 1 HA ARG 1 -3.079 -4.557 3.790
5 1HB ARG 1 HB2 ARG 1 -5.341 -2.958 4.868
6 2HB ARG 1 HB1 ARG 1 -4.380 -2.215 3.597
7 1HG ARG 1 HG2 ARG 1 -6.240 -3.317 2.591
8 2HG ARG 1 HG1 ARG 1 -4.781 -4.229 2.198
9 1HD ARG 1 HD2 ARG 1 -5.307 -5.934 3.728
10 2HD ARG 1 HD1 ARG 1 -6.517 -4.942 4.542
11 HE ARG 1 HE ARG 1 -7.490 -5.170 2.028
12 1HH1 ARG 1 HH11 ARG 1 -6.388 -7.497 4.383
13 2HH1 ARG 1 HH12 ARG 1 -7.452 -8.746 3.831
14 1HH2 ARG 1 HH21 ARG 1 -8.890 -6.812 1.300
15 2HH2 ARG 1 HH22 ARG 1 -8.872 -8.358 2.080
16 H CYS 2 HN CYS 2 -1.748 -2.850 2.972
17 HA CYS 2 HA CYS 2 -0.729 -0.919 4.907
18 1HB CYS 2 HB2 CYS 2 1.632 -1.540 4.312
19 2HB CYS 2 HB1 CYS 2 0.774 -2.752 5.265
20 H CYS 3 HN CYS 3 -0.868 0.977 3.915
21 HA CYS 3 HA CYS 3 -0.304 1.095 1.026
22 1HB CYS 3 HB2 CYS 3 -2.652 1.654 1.777
23 2HB CYS 3 HB1 CYS 3 -1.973 3.063 2.594
24 H HIS 4 HN HIS 4 1.596 1.305 3.296
25 HA HIS 4 HA HIS 4 2.519 4.069 2.890
26 1HB HIS 4 HB2 HIS 4 4.067 3.035 4.945
27 2HB HIS 4 HB1 HIS 4 2.683 4.103 5.125
28 HD1 HIS 4 HD1 HIS 4 2.987 0.328 4.614
29 HD2 HIS 4 HD2 HIS 4 1.170 3.122 7.084
30 HE1 HIS 4 HE1 HIS 4 1.643 -1.012 6.266
31 HE2 HIS 4 HE2 HIS 4 0.463 0.705 7.683
32 HA PRO 5 HA PRO 5 6.197 2.821 0.817
33 1HB PRO 5 HB2 PRO 5 8.272 3.896 2.283
34 2HB PRO 5 HB1 PRO 5 7.247 4.904 1.247
35 1HG PRO 5 HG2 PRO 5 7.079 4.430 4.203
36 2HG PRO 5 HG1 PRO 5 6.920 5.946 3.294
37 1HD PRO 5 HD2 PRO 5 4.767 4.652 4.201
38 2HD PRO 5 HD1 PRO 5 4.746 5.460 2.620
39 H GLN 6 HN GLN 6 5.787 1.892 4.100
40 HA GLN 6 HA GLN 6 8.076 0.315 4.491
41 1HB GLN 6 HB2 GLN 6 6.149 1.018 6.130
42 2HB GLN 6 HB1 GLN 6 5.418 -0.498 5.610
43 1HG GLN 6 HG2 GLN 6 6.558 -1.175 7.469
44 2HG GLN 6 HG1 GLN 6 7.753 -1.493 6.213
45 1HE2 GLN 6 HE21 GLN 6 8.280 -1.094 8.978
46 2HE2 GLN 6 HE22 GLN 6 9.263 0.319 9.122
47 H CYS 7 HN CYS 7 5.096 -0.262 2.767
48 HA CYS 7 HA CYS 7 5.815 -3.058 2.293
49 1HB CYS 7 HB2 CYS 7 3.317 -1.473 2.149
50 2HB CYS 7 HB1 CYS 7 3.496 -2.743 0.938
51 H GLY 8 HN GLY 8 5.755 0.035 0.737
52 1HA GLY 8 HA2 GLY 8 6.447 0.732 -1.327
53 2HA GLY 8 HA1 GLY 8 7.372 -0.762 -1.388
54 H ALA 9 HN ALA 9 7.012 -1.334 -3.480
55 HA ALA 9 HA ALA 9 4.656 -1.081 -4.922
56 1HB ALA 9 HB1 ALA 9 5.627 -2.446 -6.546
57 2HB ALA 9 HB2 ALA 9 6.542 -3.371 -5.355
58 3HB ALA 9 HB3 ALA 9 7.005 -1.711 -5.727
59 H ALA 10 HN ALA 10 5.434 -3.328 -2.425
60 HA ALA 10 HA ALA 10 3.298 -5.158 -3.204
61 1HB ALA 10 HB1 ALA 10 4.101 -6.431 -1.158
62 2HB ALA 10 HB2 ALA 10 5.427 -5.270 -1.088
63 3HB ALA 10 HB3 ALA 10 5.231 -6.300 -2.506
64 H TYR 11 HN TYR 11 2.597 -2.466 -2.373
65 HA TYR 11 HA TYR 11 1.605 -2.604 0.317
66 1HB TYR 11 HB2 TYR 11 0.281 -0.510 -0.503
67 2HB TYR 11 HB1 TYR 11 2.024 -0.406 -0.297
68 HD1 TYR 11 HD1 TYR 11 2.564 1.304 -1.809
69 HD2 TYR 11 HD2 TYR 11 0.206 -1.981 -3.133
70 HE1 TYR 11 HE1 TYR 11 2.792 2.082 -4.131
71 HE2 TYR 11 HE2 TYR 11 0.430 -1.214 -5.457
72 HH TYR 11 HH TYR 11 1.408 1.806 -6.310
73 H SER 12 HN SER 12 -0.880 -1.807 0.456
74 HA SER 12 HA SER 12 -2.552 -3.387 -1.331
75 1HB SER 12 HB2 SER 12 -1.778 -4.760 0.741
76 2HB SER 12 HB1 SER 12 -2.924 -3.751 1.630
77 HG SER 12 HG SER 12 -3.515 -5.909 0.388
78 H CYS 13 HN CYS 13 -2.784 -0.920 -1.703
79 HA CYS 13 HA CYS 13 -4.534 0.400 0.196
80 1HB CYS 13 HB2 CYS 13 -2.658 1.313 -1.609
81 2HB CYS 13 HB1 CYS 13 -4.180 1.702 -2.402
82 H ARG 14 HN ARG 14 -6.686 0.488 0.078
83 HA ARG 14 HA ARG 14 -7.989 -0.782 -2.217
84 1HB ARG 14 HB2 ARG 14 -8.505 -1.615 0.064
85 2HB ARG 14 HB1 ARG 14 -9.149 -0.030 0.472
86 1HG ARG 14 HG2 ARG 14 -10.289 -1.301 -1.929
87 2HG ARG 14 HG1 ARG 14 -10.653 -2.078 -0.387
88 1HD ARG 14 HD2 ARG 14 -11.345 0.196 0.458
89 2HD ARG 14 HD1 ARG 14 -11.222 0.762 -1.207
90 HE ARG 14 HE ARG 14 -13.194 -0.297 -1.678
91 1HH1 ARG 14 HH11 ARG 14 -11.964 -1.505 1.356
92 2HH1 ARG 14 HH12 ARG 14 -13.396 -2.407 1.721
93 1HH2 ARG 14 HH21 ARG 14 -15.079 -1.483 -1.199
94 2HH2 ARG 14 HH22 ARG 14 -15.164 -2.395 0.270
95 H LYS 15 HN LYS 15 -8.368 2.092 -0.145
96 HA LYS 15 HA LYS 15 -9.230 4.157 -0.548
97 1HB LYS 15 HB2 LYS 15 -8.220 3.316 -3.227
98 2HB LYS 15 HB1 LYS 15 -9.223 4.757 -3.132
99 1HG LYS 15 HG2 LYS 15 -7.643 5.957 -2.027
100 2HG LYS 15 HG1 LYS 15 -6.965 4.538 -1.226
101 1HD LYS 15 HD2 LYS 15 -5.765 3.899 -3.154
102 2HD LYS 15 HD1 LYS 15 -6.679 5.004 -4.183
103 1HE LYS 15 HE2 LYS 15 -5.582 6.886 -3.331
104 2HE LYS 15 HE1 LYS 15 -4.997 6.014 -1.914
105 1HZ LYS 15 HZ1 LYS 15 -3.545 4.725 -3.373
106 2HZ LYS 15 HZ2 LYS 15 -3.217 6.380 -3.486
107 3HZ LYS 15 HZ3 LYS 15 -4.087 5.605 -4.712
Start of MODEL 18
1 1H ARG 1 HT1 ARG 1 -5.904 -3.514 5.197
2 2H ARG 1 HT2 ARG 1 -5.639 -2.084 4.286
3 3H ARG 1 HT3 ARG 1 -5.097 -2.182 5.912
4 HA ARG 1 HA ARG 1 -3.719 -4.115 5.157
5 1HB ARG 1 HB2 ARG 1 -4.149 -2.773 2.486
6 2HB ARG 1 HB1 ARG 1 -3.242 -4.243 2.815
7 1HG ARG 1 HG2 ARG 1 -5.696 -4.927 3.745
8 2HG ARG 1 HG1 ARG 1 -6.118 -3.848 2.414
9 1HD ARG 1 HD2 ARG 1 -5.420 -5.303 0.852
10 2HD ARG 1 HD1 ARG 1 -4.002 -5.776 1.786
11 HE ARG 1 HE ARG 1 -6.149 -6.897 3.085
12 1HH1 ARG 1 HH11 ARG 1 -4.771 -7.084 -0.115
13 2HH1 ARG 1 HH12 ARG 1 -5.294 -8.713 -0.381
14 1HH2 ARG 1 HH21 ARG 1 -6.838 -9.040 2.738
15 2HH2 ARG 1 HH22 ARG 1 -6.468 -9.824 1.238
16 H CYS 2 HN CYS 2 -1.601 -3.358 3.658
17 HA CYS 2 HA CYS 2 -0.687 -0.971 5.076
18 1HB CYS 2 HB2 CYS 2 1.572 -1.703 4.456
19 2HB CYS 2 HB1 CYS 2 0.686 -2.990 5.275
20 H CYS 3 HN CYS 3 -0.739 0.919 4.076
21 HA CYS 3 HA CYS 3 -0.342 0.979 1.157
22 1HB CYS 3 HB2 CYS 3 -2.676 1.522 1.890
23 2HB CYS 3 HB1 CYS 3 -2.026 2.911 2.763
24 H HIS 4 HN HIS 4 1.617 1.220 3.344
25 HA HIS 4 HA HIS 4 2.508 3.989 2.909
26 1HB HIS 4 HB2 HIS 4 4.103 2.981 4.940
27 2HB HIS 4 HB1 HIS 4 2.714 4.040 5.141
28 HD1 HIS 4 HD1 HIS 4 3.008 0.265 4.625
29 HD2 HIS 4 HD2 HIS 4 1.273 3.057 7.156
30 HE1 HIS 4 HE1 HIS 4 1.708 -1.076 6.311
31 HE2 HIS 4 HE2 HIS 4 0.580 0.641 7.771
32 HA PRO 5 HA PRO 5 6.147 2.731 0.772
33 1HB PRO 5 HB2 PRO 5 8.242 3.866 2.156
34 2HB PRO 5 HB1 PRO 5 7.170 4.841 1.137
35 1HG PRO 5 HG2 PRO 5 7.097 4.409 4.103
36 2HG PRO 5 HG1 PRO 5 6.893 5.910 3.179
37 1HD PRO 5 HD2 PRO 5 4.784 4.599 4.167
38 2HD PRO 5 HD1 PRO 5 4.707 5.390 2.579
39 H GLN 6 HN GLN 6 5.819 1.864 4.079
40 HA GLN 6 HA GLN 6 8.143 0.315 4.430
41 1HB GLN 6 HB2 GLN 6 5.399 0.152 5.677
42 2HB GLN 6 HB1 GLN 6 6.731 -0.893 6.165
43 1HG GLN 6 HG2 GLN 6 8.004 0.958 6.938
44 2HG GLN 6 HG1 GLN 6 6.874 2.109 6.227
45 1HE2 GLN 6 HE21 GLN 6 6.524 3.124 8.198
46 2HE2 GLN 6 HE22 GLN 6 5.586 2.399 9.454
47 H CYS 7 HN CYS 7 5.090 -0.317 2.860
48 HA CYS 7 HA CYS 7 5.714 -3.139 2.499
49 1HB CYS 7 HB2 CYS 7 3.314 -1.481 2.366
50 2HB CYS 7 HB1 CYS 7 3.437 -2.600 1.008
51 H GLY 8 HN GLY 8 6.067 -0.162 0.832
52 1HA GLY 8 HA2 GLY 8 6.920 0.360 -1.222
53 2HA GLY 8 HA1 GLY 8 7.567 -1.276 -1.245
54 H ALA 9 HN ALA 9 7.134 -1.822 -3.331
55 HA ALA 9 HA ALA 9 4.712 -1.217 -4.669
56 1HB ALA 9 HB1 ALA 9 5.524 -2.609 -6.441
57 2HB ALA 9 HB2 ALA 9 6.675 -3.395 -5.361
58 3HB ALA 9 HB3 ALA 9 6.883 -1.696 -5.786
59 H ALA 10 HN ALA 10 5.410 -3.524 -2.290
60 HA ALA 10 HA ALA 10 3.435 -5.448 -3.209
61 1HB ALA 10 HB1 ALA 10 5.484 -5.379 -1.064
62 2HB ALA 10 HB2 ALA 10 5.116 -6.638 -2.243
63 3HB ALA 10 HB3 ALA 10 4.080 -6.422 -0.833
64 H TYR 11 HN TYR 11 2.953 -2.550 -2.064
65 HA TYR 11 HA TYR 11 1.489 -2.818 0.312
66 1HB TYR 11 HB2 TYR 11 0.271 -0.702 -0.627
67 2HB TYR 11 HB1 TYR 11 1.970 -0.606 -0.185
68 HD1 TYR 11 HD1 TYR 11 0.764 -2.235 -3.273
69 HD2 TYR 11 HD2 TYR 11 2.496 1.262 -1.577
70 HE1 TYR 11 HE1 TYR 11 1.297 -1.413 -5.527
71 HE2 TYR 11 HE2 TYR 11 3.033 2.093 -3.828
72 HH TYR 11 HH TYR 11 1.695 1.164 -6.501
73 H SER 12 HN SER 12 -0.993 -2.021 0.173
74 HA SER 12 HA SER 12 -2.479 -3.413 -1.881
75 1HB SER 12 HB2 SER 12 -2.452 -4.353 0.989
76 2HB SER 12 HB1 SER 12 -3.774 -4.730 -0.121
77 HG SER 12 HG SER 12 -2.322 -5.823 -1.430
78 H CYS 13 HN CYS 13 -2.533 -0.795 -1.601
79 HA CYS 13 HA CYS 13 -4.373 0.248 0.274
80 1HB CYS 13 HB2 CYS 13 -2.637 1.332 -1.547
81 2HB CYS 13 HB1 CYS 13 -4.195 1.673 -2.292
82 H ARG 14 HN ARG 14 -6.538 0.827 0.053
83 HA ARG 14 HA ARG 14 -7.976 -0.636 -2.055
84 1HB ARG 14 HB2 ARG 14 -9.948 -0.367 -0.449
85 2HB ARG 14 HB1 ARG 14 -8.675 -1.483 0.025
86 1HG ARG 14 HG2 ARG 14 -7.787 0.065 1.593
87 2HG ARG 14 HG1 ARG 14 -8.819 1.362 0.986
88 1HD ARG 14 HD2 ARG 14 -10.625 0.639 2.132
89 2HD ARG 14 HD1 ARG 14 -10.222 -1.061 1.897
90 HE ARG 14 HE ARG 14 -9.272 -1.041 3.962
91 1HH1 ARG 14 HH11 ARG 14 -9.293 2.233 2.752
92 2HH1 ARG 14 HH12 ARG 14 -8.642 2.907 4.208
93 1HH2 ARG 14 HH21 ARG 14 -8.417 -0.155 5.878
94 2HH2 ARG 14 HH22 ARG 14 -8.145 1.552 5.983
95 H LYS 15 HN LYS 15 -7.787 2.444 -0.342
96 HA LYS 15 HA LYS 15 -8.503 4.536 -0.870
97 1HB LYS 15 HB2 LYS 15 -8.168 3.231 -3.524
98 2HB LYS 15 HB1 LYS 15 -9.029 4.763 -3.476
99 1HG LYS 15 HG2 LYS 15 -7.153 5.894 -2.580
100 2HG LYS 15 HG1 LYS 15 -6.310 4.378 -2.258
101 1HD LYS 15 HD2 LYS 15 -7.110 4.806 -5.058
102 2HD LYS 15 HD1 LYS 15 -5.890 5.923 -4.442
103 1HE LYS 15 HE2 LYS 15 -4.697 3.822 -3.574
104 2HE LYS 15 HE1 LYS 15 -5.765 2.933 -4.659
105 1HZ LYS 15 HZ1 LYS 15 -4.083 5.179 -5.598
106 2HZ LYS 15 HZ2 LYS 15 -4.850 3.990 -6.523
107 3HZ LYS 15 HZ3 LYS 15 -3.517 3.585 -5.565
Start of MODEL 19
1 1H ARG 1 HT1 ARG 1 -2.426 -5.220 2.370
2 2H ARG 1 HT2 ARG 1 -4.064 -5.684 2.153
3 3H ARG 1 HT3 ARG 1 -3.284 -5.961 3.656
4 HA ARG 1 HA ARG 1 -4.139 -3.429 2.453
5 1HB ARG 1 HB2 ARG 1 -4.565 -4.603 5.204
6 2HB ARG 1 HB1 ARG 1 -5.396 -3.227 4.491
7 1HG ARG 1 HG2 ARG 1 -6.533 -4.645 2.930
8 2HG ARG 1 HG1 ARG 1 -5.591 -6.044 3.449
9 1HD ARG 1 HD2 ARG 1 -7.242 -4.516 5.421
10 2HD ARG 1 HD1 ARG 1 -7.999 -5.706 4.363
11 HE ARG 1 HE ARG 1 -5.711 -6.775 5.676
12 1HH1 ARG 1 HH11 ARG 1 -9.074 -5.976 6.155
13 2HH1 ARG 1 HH12 ARG 1 -9.305 -7.151 7.405
14 1HH2 ARG 1 HH21 ARG 1 -6.012 -8.322 7.320
15 2HH2 ARG 1 HH22 ARG 1 -7.566 -8.483 8.068
16 H CYS 2 HN CYS 2 -2.043 -2.530 2.213
17 HA CYS 2 HA CYS 2 -1.049 -1.301 4.612
18 1HB CYS 2 HB2 CYS 2 1.295 -2.109 4.294
19 2HB CYS 2 HB1 CYS 2 0.172 -3.369 4.803
20 H CYS 3 HN CYS 3 -1.365 0.678 3.699
21 HA CYS 3 HA CYS 3 -0.133 1.242 1.106
22 1HB CYS 3 HB2 CYS 3 -2.542 1.909 1.736
23 2HB CYS 3 HB1 CYS 3 -1.793 3.171 2.714
24 H HIS 4 HN HIS 4 1.373 0.876 3.654
25 HA HIS 4 HA HIS 4 2.462 3.549 4.092
26 1HB HIS 4 HB2 HIS 4 3.764 1.450 5.607
27 2HB HIS 4 HB1 HIS 4 2.913 2.880 6.176
28 HD1 HIS 4 HD1 HIS 4 0.047 2.231 5.394
29 HD2 HIS 4 HD2 HIS 4 2.659 -0.530 7.058
30 HE1 HIS 4 HE1 HIS 4 -1.416 0.473 6.442
31 HE2 HIS 4 HE2 HIS 4 0.189 -1.239 7.361
32 HA PRO 5 HA PRO 5 6.206 2.872 1.856
33 1HB PRO 5 HB2 PRO 5 8.195 3.672 3.551
34 2HB PRO 5 HB1 PRO 5 7.071 4.857 2.859
35 1HG PRO 5 HG2 PRO 5 7.013 3.535 5.552
36 2HG PRO 5 HG1 PRO 5 6.760 5.241 5.132
37 1HD PRO 5 HD2 PRO 5 4.700 3.578 5.620
38 2HD PRO 5 HD1 PRO 5 4.590 4.872 4.407
39 H GLN 6 HN GLN 6 5.654 1.120 4.726
40 HA GLN 6 HA GLN 6 8.047 -0.437 4.733
41 1HB GLN 6 HB2 GLN 6 5.399 -0.582 6.111
42 2HB GLN 6 HB1 GLN 6 6.431 -2.010 6.111
43 1HG GLN 6 HG2 GLN 6 7.288 -1.114 7.967
44 2HG GLN 6 HG1 GLN 6 8.197 -0.094 6.853
45 1HE2 GLN 6 HE21 GLN 6 6.911 0.199 9.633
46 2HE2 GLN 6 HE22 GLN 6 6.104 1.723 9.535
47 H CYS 7 HN CYS 7 5.041 -0.564 3.016
48 HA CYS 7 HA CYS 7 5.565 -3.295 2.102
49 1HB CYS 7 HB2 CYS 7 3.184 -1.556 2.264
50 2HB CYS 7 HB1 CYS 7 3.279 -2.565 0.820
51 H GLY 8 HN GLY 8 5.635 0.014 1.031
52 1HA GLY 8 HA2 GLY 8 6.299 0.991 -0.929
53 2HA GLY 8 HA1 GLY 8 7.317 -0.431 -1.118
54 H ALA 9 HN ALA 9 7.076 -0.653 -3.309
55 HA ALA 9 HA ALA 9 4.848 -0.370 -4.869
56 1HB ALA 9 HB1 ALA 9 5.907 -1.761 -6.496
57 2HB ALA 9 HB2 ALA 9 6.892 -2.546 -5.261
58 3HB ALA 9 HB3 ALA 9 7.163 -0.849 -5.660
59 H ALA 10 HN ALA 10 5.530 -2.938 -2.628
60 HA ALA 10 HA ALA 10 3.381 -4.601 -3.682
61 1HB ALA 10 HB1 ALA 10 4.139 -6.028 -1.615
62 2HB ALA 10 HB2 ALA 10 5.571 -5.002 -1.704
63 3HB ALA 10 HB3 ALA 10 5.106 -5.989 -3.090
64 H TYR 11 HN TYR 11 2.543 -2.102 -2.671
65 HA TYR 11 HA TYR 11 1.475 -2.577 -0.016
66 1HB TYR 11 HB2 TYR 11 0.334 -0.298 -0.509
67 2HB TYR 11 HB1 TYR 11 2.072 -0.339 -0.248
68 HD1 TYR 11 HD1 TYR 11 2.758 1.565 -1.432
69 HD2 TYR 11 HD2 TYR 11 0.264 -1.295 -3.357
70 HE1 TYR 11 HE1 TYR 11 3.109 2.710 -3.580
71 HE2 TYR 11 HE2 TYR 11 0.611 -0.160 -5.508
72 HH TYR 11 HH TYR 11 3.017 2.062 -6.048
73 H SER 12 HN SER 12 -0.968 -1.666 0.119
74 HA SER 12 HA SER 12 -2.587 -2.859 -1.997
75 1HB SER 12 HB2 SER 12 -2.352 -3.883 0.787
76 2HB SER 12 HB1 SER 12 -3.970 -3.842 0.078
77 HG SER 12 HG SER 12 -2.243 -5.707 -0.267
78 H CYS 13 HN CYS 13 -2.357 -0.213 -1.690
79 HA CYS 13 HA CYS 13 -4.090 1.029 0.134
80 1HB CYS 13 HB2 CYS 13 -3.454 2.054 -2.633
81 2HB CYS 13 HB1 CYS 13 -3.867 2.997 -1.205
82 H ARG 14 HN ARG 14 -5.995 -0.243 0.165
83 HA ARG 14 HA ARG 14 -7.693 -0.020 -2.225
84 1HB ARG 14 HB2 ARG 14 -7.432 -2.037 -0.069
85 2HB ARG 14 HB1 ARG 14 -9.062 -1.727 -0.651
86 1HG ARG 14 HG2 ARG 14 -6.745 -2.449 -2.431
87 2HG ARG 14 HG1 ARG 14 -7.906 -3.610 -1.785
88 1HD ARG 14 HD2 ARG 14 -8.570 -1.247 -3.538
89 2HD ARG 14 HD1 ARG 14 -8.468 -2.923 -4.073
90 HE ARG 14 HE ARG 14 -10.635 -1.684 -2.648
91 1HH1 ARG 14 HH11 ARG 14 -9.046 -4.705 -3.373
92 2HH1 ARG 14 HH12 ARG 14 -10.455 -5.664 -3.068
93 1HH2 ARG 14 HH21 ARG 14 -12.490 -2.943 -2.247
94 2HH2 ARG 14 HH22 ARG 14 -12.411 -4.664 -2.429
95 H LYS 15 HN LYS 15 -8.403 2.099 -1.872
96 HA LYS 15 HA LYS 15 -10.536 2.310 0.093
97 1HB LYS 15 HB2 LYS 15 -8.033 3.935 0.148
98 2HB LYS 15 HB1 LYS 15 -9.549 4.724 0.562
99 1HG LYS 15 HG2 LYS 15 -9.888 3.353 2.425
100 2HG LYS 15 HG1 LYS 15 -8.699 2.168 1.878
101 1HD LYS 15 HD2 LYS 15 -6.919 3.424 2.585
102 2HD LYS 15 HD1 LYS 15 -7.782 4.952 2.389
103 1HE LYS 15 HE2 LYS 15 -8.870 3.126 4.427
104 2HE LYS 15 HE1 LYS 15 -7.273 3.787 4.776
105 1HZ LYS 15 HZ1 LYS 15 -9.414 5.593 3.886
106 2HZ LYS 15 HZ2 LYS 15 -8.076 5.918 4.868
107 3HZ LYS 15 HZ3 LYS 15 -9.396 5.066 5.494
Start of MODEL 20
1 1H ARG 1 HT1 ARG 1 -4.045 -5.730 3.342
2 2H ARG 1 HT2 ARG 1 -5.650 -5.298 2.914
3 3H ARG 1 HT3 ARG 1 -4.934 -4.650 4.333
4 HA ARG 1 HA ARG 1 -3.837 -4.207 1.648
5 1HB ARG 1 HB2 ARG 1 -5.053 -2.089 1.633
6 2HB ARG 1 HB1 ARG 1 -6.175 -3.439 1.737
7 1HG ARG 1 HG2 ARG 1 -5.309 -2.265 4.301
8 2HG ARG 1 HG1 ARG 1 -6.334 -1.256 3.278
9 1HD ARG 1 HD2 ARG 1 -7.195 -4.057 3.567
10 2HD ARG 1 HD1 ARG 1 -7.266 -3.089 5.039
11 HE ARG 1 HE ARG 1 -8.941 -2.844 2.716
12 1HH1 ARG 1 HH11 ARG 1 -7.652 -1.181 5.501
13 2HH1 ARG 1 HH12 ARG 1 -8.936 -0.020 5.558
14 1HH2 ARG 1 HH21 ARG 1 -10.630 -1.318 2.790
15 2HH2 ARG 1 HH22 ARG 1 -10.627 -0.098 4.019
16 H CYS 2 HN CYS 2 -2.259 -2.584 1.623
17 HA CYS 2 HA CYS 2 -1.472 -1.345 4.131
18 1HB CYS 2 HB2 CYS 2 0.931 -2.118 3.737
19 2HB CYS 2 HB1 CYS 2 -0.197 -3.318 4.367
20 H CYS 3 HN CYS 3 -1.305 0.726 3.598
21 HA CYS 3 HA CYS 3 -0.059 1.413 1.018
22 1HB CYS 3 HB2 CYS 3 -2.494 2.017 1.301
23 2HB CYS 3 HB1 CYS 3 -1.996 3.134 2.572
24 H HIS 4 HN HIS 4 1.297 0.921 3.560
25 HA HIS 4 HA HIS 4 2.375 3.613 4.078
26 1HB HIS 4 HB2 HIS 4 3.335 2.109 6.149
27 2HB HIS 4 HB1 HIS 4 1.885 3.102 6.218
28 HD1 HIS 4 HD1 HIS 4 2.468 -0.412 4.844
29 HD2 HIS 4 HD2 HIS 4 0.071 1.641 7.539
30 HE1 HIS 4 HE1 HIS 4 0.870 -2.125 5.761
31 HE2 HIS 4 HE2 HIS 4 -0.517 -0.877 7.453
32 HA PRO 5 HA PRO 5 6.369 2.403 2.659
33 1HB PRO 5 HB2 PRO 5 8.098 3.281 4.587
34 2HB PRO 5 HB1 PRO 5 7.226 4.435 3.561
35 1HG PRO 5 HG2 PRO 5 6.581 3.498 6.337
36 2HG PRO 5 HG1 PRO 5 6.556 5.142 5.672
37 1HD PRO 5 HD2 PRO 5 4.305 3.700 5.975
38 2HD PRO 5 HD1 PRO 5 4.519 4.820 4.614
39 H GLN 6 HN GLN 6 4.982 0.309 4.028
40 HA GLN 6 HA GLN 6 7.246 -1.160 5.193
41 1HB GLN 6 HB2 GLN 6 5.003 -0.558 6.556
42 2HB GLN 6 HB1 GLN 6 4.480 -2.057 5.791
43 1HG GLN 6 HG2 GLN 6 6.929 -2.757 6.741
44 2HG GLN 6 HG1 GLN 6 6.387 -1.610 7.965
45 1HE2 GLN 6 HE21 GLN 6 6.733 -4.616 7.858
46 2HE2 GLN 6 HE22 GLN 6 5.240 -5.232 8.471
47 H CYS 7 HN CYS 7 4.624 -1.101 2.911
48 HA CYS 7 HA CYS 7 5.166 -3.862 2.095
49 1HB CYS 7 HB2 CYS 7 2.878 -1.994 1.781
50 2HB CYS 7 HB1 CYS 7 3.162 -3.133 0.465
51 H GLY 8 HN GLY 8 6.058 -0.707 1.294
52 1HA GLY 8 HA2 GLY 8 7.215 0.194 -0.458
53 2HA GLY 8 HA1 GLY 8 7.694 -1.458 -0.826
54 H ALA 9 HN ALA 9 7.562 -1.260 -3.040
55 HA ALA 9 HA ALA 9 5.478 -0.069 -4.471
56 1HB ALA 9 HB1 ALA 9 7.740 -0.744 -5.344
57 2HB ALA 9 HB2 ALA 9 6.375 -1.106 -6.402
58 3HB ALA 9 HB3 ALA 9 7.119 -2.392 -5.451
59 H ALA 10 HN ALA 10 5.514 -3.022 -2.737
60 HA ALA 10 HA ALA 10 3.317 -4.161 -4.277
61 1HB ALA 10 HB1 ALA 10 4.678 -5.903 -3.741
62 2HB ALA 10 HB2 ALA 10 3.609 -5.943 -2.338
63 3HB ALA 10 HB3 ALA 10 5.193 -5.178 -2.218
64 H TYR 11 HN TYR 11 2.984 -1.685 -2.654
65 HA TYR 11 HA TYR 11 1.533 -2.283 -0.303
66 1HB TYR 11 HB2 TYR 11 0.566 0.073 -0.701
67 2HB TYR 11 HB1 TYR 11 2.299 -0.071 -0.439
68 HD1 TYR 11 HD1 TYR 11 3.542 1.355 -1.736
69 HD2 TYR 11 HD2 TYR 11 0.001 -0.325 -3.389
70 HE1 TYR 11 HE1 TYR 11 3.964 2.553 -3.843
71 HE2 TYR 11 HE2 TYR 11 0.413 0.865 -5.500
72 HH TYR 11 HH TYR 11 3.386 2.434 -6.176
73 H SER 12 HN SER 12 -0.863 -1.231 -0.263
74 HA SER 12 HA SER 12 -2.412 -2.278 -2.511
75 1HB SER 12 HB2 SER 12 -2.093 -3.834 -0.300
76 2HB SER 12 HB1 SER 12 -3.547 -2.931 0.137
77 HG SER 12 HG SER 12 -4.620 -3.829 -1.499
78 H CYS 13 HN CYS 13 -1.986 0.360 -2.099
79 HA CYS 13 HA CYS 13 -3.795 1.685 -0.414
80 1HB CYS 13 HB2 CYS 13 -2.738 2.674 -3.069
81 2HB CYS 13 HB1 CYS 13 -3.351 3.660 -1.746
82 H ARG 14 HN ARG 14 -5.785 0.572 -0.600
83 HA ARG 14 HA ARG 14 -7.247 1.093 -3.105
84 1HB ARG 14 HB2 ARG 14 -6.838 -1.333 -2.015
85 2HB ARG 14 HB1 ARG 14 -8.313 -0.885 -1.170
86 1HG ARG 14 HG2 ARG 14 -8.788 -2.172 -3.181
87 2HG ARG 14 HG1 ARG 14 -9.447 -0.538 -3.291
88 1HD ARG 14 HD2 ARG 14 -7.890 0.127 -4.862
89 2HD ARG 14 HD1 ARG 14 -6.727 -1.109 -4.383
90 HE ARG 14 HE ARG 14 -8.848 -1.372 -6.304
91 1HH1 ARG 14 HH11 ARG 14 -6.754 -3.092 -4.105
92 2HH1 ARG 14 HH12 ARG 14 -6.878 -4.591 -4.962
93 1HH2 ARG 14 HH21 ARG 14 -9.012 -3.344 -7.432
94 2HH2 ARG 14 HH22 ARG 14 -8.159 -4.735 -6.851
95 H LYS 15 HN LYS 15 -8.049 0.499 0.322
96 HA LYS 15 HA LYS 15 -9.335 3.053 0.582
97 1HB LYS 15 HB2 LYS 15 -11.577 2.038 1.152
98 2HB LYS 15 HB1 LYS 15 -11.148 2.017 -0.553
99 1HG LYS 15 HG2 LYS 15 -11.011 -0.238 -0.636
100 2HG LYS 15 HG1 LYS 15 -10.419 -0.373 1.021
101 1HD LYS 15 HD2 LYS 15 -12.521 -0.412 1.915
102 2HD LYS 15 HD1 LYS 15 -13.208 0.567 0.617
103 1HE LYS 15 HE2 LYS 15 -12.202 -2.094 -0.161
104 2HE LYS 15 HE1 LYS 15 -13.622 -2.083 0.883
105 1HZ LYS 15 HZ1 LYS 15 -14.542 -0.406 -0.786
106 2HZ LYS 15 HZ2 LYS 15 -14.485 -2.029 -1.257
107 3HZ LYS 15 HZ3 LYS 15 -13.319 -0.943 -1.824
Start of MODEL 21
1 1H ARG 1 HT1 ARG 1 -5.175 -4.018 4.322
2 2H ARG 1 HT2 ARG 1 -3.537 -4.515 4.193
3 3H ARG 1 HT3 ARG 1 -4.139 -3.264 3.184
4 HA ARG 1 HA ARG 1 -4.324 -1.783 4.917
5 1HB ARG 1 HB2 ARG 1 -5.270 -3.575 6.441
6 2HB ARG 1 HB1 ARG 1 -3.611 -4.026 6.810
7 1HG ARG 1 HG2 ARG 1 -3.481 -1.397 7.318
8 2HG ARG 1 HG1 ARG 1 -5.182 -1.691 7.683
9 1HD ARG 1 HD2 ARG 1 -4.345 -2.210 9.719
10 2HD ARG 1 HD1 ARG 1 -4.095 -3.780 8.957
11 HE ARG 1 HE ARG 1 -1.850 -3.452 9.157
12 1HH1 ARG 1 HH11 ARG 1 -3.428 -0.345 9.344
13 2HH1 ARG 1 HH12 ARG 1 -1.968 0.515 9.703
14 1HH2 ARG 1 HH21 ARG 1 0.071 -2.323 9.629
15 2HH2 ARG 1 HH22 ARG 1 0.019 -0.608 9.865
16 H CYS 2 HN CYS 2 -2.337 -2.217 3.140
17 HA CYS 2 HA CYS 2 0.033 -1.588 4.725
18 1HB CYS 2 HB2 CYS 2 -0.143 -4.102 3.880
19 2HB CYS 2 HB1 CYS 2 0.446 -3.387 2.379
20 H CYS 3 HN CYS 3 -0.976 0.481 3.787
21 HA CYS 3 HA CYS 3 -0.017 0.940 1.046
22 1HB CYS 3 HB2 CYS 3 -2.448 1.405 1.669
23 2HB CYS 3 HB1 CYS 3 -1.837 2.761 2.617
24 H HIS 4 HN HIS 4 1.667 0.881 3.457
25 HA HIS 4 HA HIS 4 2.456 3.674 3.757
26 1HB HIS 4 HB2 HIS 4 4.126 1.788 5.191
27 2HB HIS 4 HB1 HIS 4 3.150 3.115 5.808
28 HD1 HIS 4 HD1 HIS 4 0.335 2.097 5.271
29 HD2 HIS 4 HD2 HIS 4 3.397 -0.277 6.756
30 HE1 HIS 4 HE1 HIS 4 -0.808 0.198 6.460
31 HE2 HIS 4 HE2 HIS 4 1.067 -1.279 7.270
32 HA PRO 5 HA PRO 5 6.063 3.411 1.229
33 1HB PRO 5 HB2 PRO 5 8.075 4.464 2.753
34 2HB PRO 5 HB1 PRO 5 6.772 5.499 2.138
35 1HG PRO 5 HG2 PRO 5 7.076 4.236 4.842
36 2HG PRO 5 HG1 PRO 5 6.593 5.891 4.423
37 1HD PRO 5 HD2 PRO 5 4.786 4.013 5.094
38 2HD PRO 5 HD1 PRO 5 4.432 5.256 3.875
39 H GLN 6 HN GLN 6 5.963 1.659 4.151
40 HA GLN 6 HA GLN 6 8.505 0.332 3.786
41 1HB GLN 6 HB2 GLN 6 7.365 0.805 6.030
42 2HB GLN 6 HB1 GLN 6 6.288 -0.532 5.637
43 1HG GLN 6 HG2 GLN 6 8.364 -1.947 5.361
44 2HG GLN 6 HG1 GLN 6 9.253 -0.613 6.095
45 1HE2 GLN 6 HE21 GLN 6 6.244 -2.406 6.692
46 2HE2 GLN 6 HE22 GLN 6 6.511 -2.624 8.385
47 H CYS 7 HN CYS 7 5.187 -0.144 2.889
48 HA CYS 7 HA CYS 7 5.429 -2.944 2.331
49 1HB CYS 7 HB2 CYS 7 3.324 -1.076 1.247
50 2HB CYS 7 HB1 CYS 7 3.199 -2.808 1.536
51 H GLY 8 HN GLY 8 5.906 0.032 0.579
52 1HA GLY 8 HA2 GLY 8 6.647 0.477 -1.540
53 2HA GLY 8 HA1 GLY 8 7.468 -1.074 -1.418
54 H ALA 9 HN ALA 9 7.148 -1.705 -3.520
55 HA ALA 9 HA ALA 9 4.855 -1.480 -5.046
56 1HB ALA 9 HB1 ALA 9 6.390 -3.973 -5.406
57 2HB ALA 9 HB2 ALA 9 7.309 -2.471 -5.496
58 3HB ALA 9 HB3 ALA 9 5.940 -2.734 -6.577
59 H ALA 10 HN ALA 10 5.488 -3.623 -2.403
60 HA ALA 10 HA ALA 10 3.239 -5.351 -3.091
61 1HB ALA 10 HB1 ALA 10 5.351 -5.488 -0.958
62 2HB ALA 10 HB2 ALA 10 5.102 -6.572 -2.327
63 3HB ALA 10 HB3 ALA 10 3.957 -6.569 -0.986
64 H TYR 11 HN TYR 11 2.643 -2.623 -2.471
65 HA TYR 11 HA TYR 11 1.752 -2.392 0.226
66 1HB TYR 11 HB2 TYR 11 0.392 -0.442 -0.762
67 2HB TYR 11 HB1 TYR 11 2.146 -0.335 -0.835
68 HD1 TYR 11 HD1 TYR 11 2.957 0.558 -2.791
69 HD2 TYR 11 HD2 TYR 11 -0.569 -1.818 -2.950
70 HE1 TYR 11 HE1 TYR 11 2.838 0.908 -5.221
71 HE2 TYR 11 HE2 TYR 11 -0.697 -1.475 -5.381
72 HH TYR 11 HH TYR 11 0.443 0.696 -6.996
73 H SER 12 HN SER 12 -0.735 -1.611 0.383
74 HA SER 12 HA SER 12 -2.482 -3.450 -1.047
75 1HB SER 12 HB2 SER 12 -1.817 -3.653 1.852
76 2HB SER 12 HB1 SER 12 -3.496 -3.929 1.376
77 HG SER 12 HG SER 12 -2.553 -5.437 -0.219
78 H CYS 13 HN CYS 13 -2.399 -0.768 -1.407
79 HA CYS 13 HA CYS 13 -4.152 0.692 0.284
80 1HB CYS 13 HB2 CYS 13 -3.585 1.331 -2.608
81 2HB CYS 13 HB1 CYS 13 -3.992 2.447 -1.309
82 H ARG 14 HN ARG 14 -6.275 1.462 -0.207
83 HA ARG 14 HA ARG 14 -7.783 0.276 -2.348
84 1HB ARG 14 HB2 ARG 14 -7.637 -1.500 -0.514
85 2HB ARG 14 HB1 ARG 14 -8.652 -0.435 0.448
86 1HG ARG 14 HG2 ARG 14 -9.606 -1.062 -2.276
87 2HG ARG 14 HG1 ARG 14 -9.624 -2.378 -1.100
88 1HD ARG 14 HD2 ARG 14 -11.254 -1.421 0.146
89 2HD ARG 14 HD1 ARG 14 -10.679 0.216 -0.167
90 HE ARG 14 HE ARG 14 -12.124 0.346 -1.936
91 1HH1 ARG 14 HH11 ARG 14 -11.780 -3.001 -1.010
92 2HH1 ARG 14 HH12 ARG 14 -13.038 -3.551 -2.065
93 1HH2 ARG 14 HH21 ARG 14 -13.779 -0.376 -3.324
94 2HH2 ARG 14 HH22 ARG 14 -14.173 -2.062 -3.379
95 H LYS 15 HN LYS 15 -9.884 1.177 -2.569
96 HA LYS 15 HA LYS 15 -10.952 3.044 -0.713
97 1HB LYS 15 HB2 LYS 15 -9.228 4.048 -2.921
98 2HB LYS 15 HB1 LYS 15 -10.701 4.942 -2.573
99 1HG LYS 15 HG2 LYS 15 -9.750 4.712 -0.087
100 2HG LYS 15 HG1 LYS 15 -8.231 4.661 -0.983
101 1HD LYS 15 HD2 LYS 15 -8.381 6.824 -1.611
102 2HD LYS 15 HD1 LYS 15 -10.129 6.743 -1.836
103 1HE LYS 15 HE2 LYS 15 -10.068 6.533 0.812
104 2HE LYS 15 HE1 LYS 15 -8.546 7.395 0.590
105 1HZ LYS 15 HZ1 LYS 15 -10.772 8.688 0.884
106 2HZ LYS 15 HZ2 LYS 15 -10.946 8.391 -0.772
107 3HZ LYS 15 HZ3 LYS 15 -9.601 9.244 -0.204
Start of MODEL 22
1 1H ARG 1 HT1 ARG 1 -3.812 2.687 6.839
2 2H ARG 1 HT2 ARG 1 -5.034 3.687 6.166
3 3H ARG 1 HT3 ARG 1 -3.459 4.314 6.431
4 HA ARG 1 HA ARG 1 -4.349 2.340 4.454
5 1HB ARG 1 HB2 ARG 1 -4.221 5.038 4.347
6 2HB ARG 1 HB1 ARG 1 -2.583 4.640 3.847
7 1HG ARG 1 HG2 ARG 1 -3.731 4.768 1.844
8 2HG ARG 1 HG1 ARG 1 -3.713 3.036 2.179
9 1HD ARG 1 HD2 ARG 1 -5.918 3.880 1.412
10 2HD ARG 1 HD1 ARG 1 -5.966 3.111 2.998
11 HE ARG 1 HE ARG 1 -5.624 5.963 3.104
12 1HH1 ARG 1 HH11 ARG 1 -7.947 3.366 2.912
13 2HH1 ARG 1 HH12 ARG 1 -9.237 4.302 3.589
14 1HH2 ARG 1 HH21 ARG 1 -7.319 7.196 3.995
15 2HH2 ARG 1 HH22 ARG 1 -8.881 6.476 4.204
16 H CYS 2 HN CYS 2 -2.564 1.623 3.008
17 HA CYS 2 HA CYS 2 0.041 1.446 4.330
18 1HB CYS 2 HB2 CYS 2 -1.674 -0.610 4.624
19 2HB CYS 2 HB1 CYS 2 -0.938 -1.063 3.087
20 H CYS 3 HN CYS 3 -0.261 3.111 2.308
21 HA CYS 3 HA CYS 3 0.559 1.689 -0.128
22 1HB CYS 3 HB2 CYS 3 -1.385 3.350 -0.150
23 2HB CYS 3 HB1 CYS 3 -0.169 4.610 0.062
24 H HIS 4 HN HIS 4 2.293 2.204 2.210
25 HA HIS 4 HA HIS 4 4.289 3.959 0.947
26 1HB HIS 4 HB2 HIS 4 5.244 3.780 3.428
27 2HB HIS 4 HB1 HIS 4 4.048 4.988 2.968
28 HD1 HIS 4 HD1 HIS 4 3.511 1.331 3.875
29 HD2 HIS 4 HD2 HIS 4 2.485 5.141 5.171
30 HE1 HIS 4 HE1 HIS 4 1.900 0.982 5.775
31 HE2 HIS 4 HE2 HIS 4 1.360 3.301 6.600
32 HA PRO 5 HA PRO 5 7.356 0.919 0.254
33 1HB PRO 5 HB2 PRO 5 8.903 2.261 2.431
34 2HB PRO 5 HB1 PRO 5 9.503 1.774 0.846
35 1HG PRO 5 HG2 PRO 5 8.913 4.311 1.319
36 2HG PRO 5 HG1 PRO 5 8.442 3.567 -0.220
37 1HD PRO 5 HD2 PRO 5 6.755 4.323 2.111
38 2HD PRO 5 HD1 PRO 5 6.342 4.269 0.386
39 H GLN 6 HN GLN 6 6.424 1.573 3.567
40 HA GLN 6 HA GLN 6 7.616 -0.618 4.830
41 1HB GLN 6 HB2 GLN 6 5.265 1.127 5.425
42 2HB GLN 6 HB1 GLN 6 5.492 -0.338 6.378
43 1HG GLN 6 HG2 GLN 6 7.904 1.290 6.087
44 2HG GLN 6 HG1 GLN 6 6.583 2.091 6.936
45 1HE2 GLN 6 HE21 GLN 6 8.335 -0.987 6.842
46 2HE2 GLN 6 HE22 GLN 6 8.300 -1.258 8.548
47 H CYS 7 HN CYS 7 4.686 -0.367 2.929
48 HA CYS 7 HA CYS 7 3.945 -3.118 3.571
49 1HB CYS 7 HB2 CYS 7 2.495 -0.781 2.835
50 2HB CYS 7 HB1 CYS 7 2.240 -1.989 1.576
51 H GLY 8 HN GLY 8 5.372 -1.226 1.031
52 1HA GLY 8 HA2 GLY 8 6.205 -1.776 -1.032
53 2HA GLY 8 HA1 GLY 8 6.537 -3.340 -0.298
54 H ALA 9 HN ALA 9 6.105 -4.470 -2.196
55 HA ALA 9 HA ALA 9 3.992 -4.232 -3.921
56 1HB ALA 9 HB1 ALA 9 6.043 -5.934 -3.742
57 2HB ALA 9 HB2 ALA 9 4.652 -6.215 -4.790
58 3HB ALA 9 HB3 ALA 9 4.742 -7.003 -3.215
59 H ALA 10 HN ALA 10 3.919 -5.432 -0.663
60 HA ALA 10 HA ALA 10 1.256 -6.572 -1.013
61 1HB ALA 10 HB1 ALA 10 3.298 -7.453 0.465
62 2HB ALA 10 HB2 ALA 10 1.612 -7.762 0.880
63 3HB ALA 10 HB3 ALA 10 2.489 -6.453 1.672
64 H TYR 11 HN TYR 11 1.418 -3.777 -1.403
65 HA TYR 11 HA TYR 11 0.439 -2.545 1.039
66 1HB TYR 11 HB2 TYR 11 0.175 -0.521 -0.556
67 2HB TYR 11 HB1 TYR 11 1.794 -1.045 -0.116
68 HD1 TYR 11 HD1 TYR 11 -0.417 -2.670 -2.623
69 HD2 TYR 11 HD2 TYR 11 3.005 -0.231 -1.959
70 HE1 TYR 11 HE1 TYR 11 0.165 -2.851 -5.003
71 HE2 TYR 11 HE2 TYR 11 3.597 -0.406 -4.339
72 HH TYR 11 HH TYR 11 2.529 -0.882 -6.473
73 H SER 12 HN SER 12 -1.490 -0.898 0.486
74 HA SER 12 HA SER 12 -3.572 -2.283 -1.027
75 1HB SER 12 HB2 SER 12 -3.753 -1.579 1.908
76 2HB SER 12 HB1 SER 12 -5.169 -1.924 0.909
77 HG SER 12 HG SER 12 -3.110 -3.638 1.745
78 H CYS 13 HN CYS 13 -2.419 -0.104 -1.999
79 HA CYS 13 HA CYS 13 -3.375 2.391 -1.166
80 1HB CYS 13 HB2 CYS 13 -2.780 1.634 -4.027
81 2HB CYS 13 HB1 CYS 13 -2.655 3.227 -3.288
82 H ARG 14 HN ARG 14 -4.832 -0.105 -3.129
83 HA ARG 14 HA ARG 14 -7.287 1.515 -3.262
84 1HB ARG 14 HB2 ARG 14 -7.783 0.511 -5.453
85 2HB ARG 14 HB1 ARG 14 -6.292 1.443 -5.484
86 1HG ARG 14 HG2 ARG 14 -5.179 -0.872 -5.011
87 2HG ARG 14 HG1 ARG 14 -6.691 -1.503 -5.666
88 1HD ARG 14 HD2 ARG 14 -5.624 0.647 -7.290
89 2HD ARG 14 HD1 ARG 14 -4.468 -0.672 -7.108
90 HE ARG 14 HE ARG 14 -5.827 -2.006 -8.385
91 1HH1 ARG 14 HH11 ARG 14 -7.596 0.848 -7.433
92 2HH1 ARG 14 HH12 ARG 14 -8.938 0.516 -8.476
93 1HH2 ARG 14 HH21 ARG 14 -7.591 -2.444 -9.757
94 2HH2 ARG 14 HH22 ARG 14 -8.935 -1.352 -9.795
95 H LYS 15 HN LYS 15 -6.557 -0.386 -1.255
96 HA LYS 15 HA LYS 15 -8.909 -2.001 -1.281
97 1HB LYS 15 HB2 LYS 15 -7.786 -4.191 -1.144
98 2HB LYS 15 HB1 LYS 15 -7.539 -3.419 -2.704
99 1HG LYS 15 HG2 LYS 15 -5.309 -2.691 -1.970
100 2HG LYS 15 HG1 LYS 15 -5.560 -3.529 -0.437
101 1HD LYS 15 HD2 LYS 15 -6.131 -5.507 -2.199
102 2HD LYS 15 HD1 LYS 15 -4.914 -4.601 -3.101
103 1HE LYS 15 HE2 LYS 15 -3.250 -5.138 -1.661
104 2HE LYS 15 HE1 LYS 15 -4.317 -5.127 -0.257
105 1HZ LYS 15 HZ1 LYS 15 -5.244 -7.264 -1.116
106 2HZ LYS 15 HZ2 LYS 15 -3.632 -7.350 -0.613
107 3HZ LYS 15 HZ3 LYS 15 -4.000 -7.288 -2.262
Start of MODEL 23
1 1H ARG 1 HT1 ARG 1 -2.969 -4.894 1.307
2 2H ARG 1 HT2 ARG 1 -4.604 -5.155 0.853
3 3H ARG 1 HT3 ARG 1 -4.043 -5.679 2.388
4 HA ARG 1 HA ARG 1 -4.522 -2.957 1.419
5 1HB ARG 1 HB2 ARG 1 -5.424 -4.599 3.793
6 2HB ARG 1 HB1 ARG 1 -5.815 -2.900 3.564
7 1HG ARG 1 HG2 ARG 1 -7.259 -3.326 1.822
8 2HG ARG 1 HG1 ARG 1 -6.497 -4.869 1.429
9 1HD ARG 1 HD2 ARG 1 -7.694 -4.684 4.114
10 2HD ARG 1 HD1 ARG 1 -8.832 -4.624 2.769
11 HE ARG 1 HE ARG 1 -7.299 -6.891 3.646
12 1HH1 ARG 1 HH11 ARG 1 -8.968 -5.438 0.948
13 2HH1 ARG 1 HH12 ARG 1 -9.235 -6.946 0.139
14 1HH2 ARG 1 HH21 ARG 1 -7.649 -8.875 2.585
15 2HH2 ARG 1 HH22 ARG 1 -8.486 -8.898 1.069
16 H CYS 2 HN CYS 2 -2.344 -2.247 1.498
17 HA CYS 2 HA CYS 2 -1.516 -1.396 4.115
18 1HB CYS 2 HB2 CYS 2 0.770 -2.390 3.934
19 2HB CYS 2 HB1 CYS 2 -0.507 -3.583 4.173
20 H CYS 3 HN CYS 3 -1.556 0.694 3.424
21 HA CYS 3 HA CYS 3 -0.003 1.420 1.052
22 1HB CYS 3 HB2 CYS 3 -2.398 2.248 1.508
23 2HB CYS 3 HB1 CYS 3 -1.662 3.307 2.711
24 H HIS 4 HN HIS 4 1.175 0.625 3.675
25 HA HIS 4 HA HIS 4 2.437 3.112 4.538
26 1HB HIS 4 HB2 HIS 4 3.374 0.739 5.913
27 2HB HIS 4 HB1 HIS 4 2.593 2.174 6.562
28 HD1 HIS 4 HD1 HIS 4 -0.214 1.904 5.424
29 HD2 HIS 4 HD2 HIS 4 1.948 -1.270 6.996
30 HE1 HIS 4 HE1 HIS 4 -1.931 0.194 6.101
31 HE2 HIS 4 HE2 HIS 4 -0.603 -1.681 7.136
32 HA PRO 5 HA PRO 5 6.333 2.316 2.624
33 1HB PRO 5 HB2 PRO 5 8.183 2.720 4.595
34 2HB PRO 5 HB1 PRO 5 7.252 4.081 3.941
35 1HG PRO 5 HG2 PRO 5 6.779 2.482 6.436
36 2HG PRO 5 HG1 PRO 5 6.725 4.240 6.201
37 1HD PRO 5 HD2 PRO 5 4.485 2.749 6.276
38 2HD PRO 5 HD1 PRO 5 4.625 4.172 5.223
39 H GLN 6 HN GLN 6 5.314 0.320 5.192
40 HA GLN 6 HA GLN 6 7.545 -1.458 5.253
41 1HB GLN 6 HB2 GLN 6 5.454 -1.074 6.905
42 2HB GLN 6 HB1 GLN 6 4.856 -2.463 6.001
43 1HG GLN 6 HG2 GLN 6 7.596 -2.501 7.192
44 2HG GLN 6 HG1 GLN 6 6.179 -2.836 8.187
45 1HE2 GLN 6 HE21 GLN 6 8.315 -4.632 7.570
46 2HE2 GLN 6 HE22 GLN 6 7.630 -5.969 6.717
47 H CYS 7 HN CYS 7 4.752 -1.094 3.236
48 HA CYS 7 HA CYS 7 5.136 -3.745 2.056
49 1HB CYS 7 HB2 CYS 7 2.912 -1.807 2.184
50 2HB CYS 7 HB1 CYS 7 3.080 -2.653 0.646
51 H GLY 8 HN GLY 8 5.625 -0.364 1.411
52 1HA GLY 8 HA2 GLY 8 6.589 0.754 -0.339
53 2HA GLY 8 HA1 GLY 8 7.486 -0.736 -0.599
54 H ALA 9 HN ALA 9 7.471 -0.686 -2.814
55 HA ALA 9 HA ALA 9 5.468 0.005 -4.542
56 1HB ALA 9 HB1 ALA 9 6.609 -1.172 -6.217
57 2HB ALA 9 HB2 ALA 9 7.226 -2.368 -5.078
58 3HB ALA 9 HB3 ALA 9 7.856 -0.721 -5.055
59 H ALA 10 HN ALA 10 5.650 -2.857 -2.575
60 HA ALA 10 HA ALA 10 3.479 -4.148 -4.031
61 1HB ALA 10 HB1 ALA 10 5.435 -5.457 -3.230
62 2HB ALA 10 HB2 ALA 10 3.885 -6.064 -2.649
63 3HB ALA 10 HB3 ALA 10 4.923 -5.127 -1.575
64 H TYR 11 HN TYR 11 2.776 -1.704 -2.811
65 HA TYR 11 HA TYR 11 1.382 -2.357 -0.350
66 1HB TYR 11 HB2 TYR 11 0.530 0.074 -0.663
67 2HB TYR 11 HB1 TYR 11 2.217 -0.187 -0.241
68 HD1 TYR 11 HD1 TYR 11 0.681 -0.580 -3.608
69 HD2 TYR 11 HD2 TYR 11 3.207 1.757 -1.105
70 HE1 TYR 11 HE1 TYR 11 1.368 0.750 -5.555
71 HE2 TYR 11 HE2 TYR 11 3.901 3.094 -3.048
72 HH TYR 11 HH TYR 11 2.918 3.681 -5.326
73 H SER 12 HN SER 12 -0.960 -1.204 -0.343
74 HA SER 12 HA SER 12 -2.446 -1.936 -2.744
75 1HB SER 12 HB2 SER 12 -4.115 -3.029 -0.920
76 2HB SER 12 HB1 SER 12 -2.897 -3.960 -1.798
77 HG SER 12 HG SER 12 -1.510 -3.712 -0.026
78 H CYS 13 HN CYS 13 -2.130 0.583 -2.237
79 HA CYS 13 HA CYS 13 -3.908 1.743 -0.351
80 1HB CYS 13 HB2 CYS 13 -2.877 3.090 -2.845
81 2HB CYS 13 HB1 CYS 13 -3.332 3.839 -1.318
82 H ARG 14 HN ARG 14 -5.973 0.955 -0.594
83 HA ARG 14 HA ARG 14 -7.391 1.886 -2.991
84 1HB ARG 14 HB2 ARG 14 -6.841 -0.697 -2.803
85 2HB ARG 14 HB1 ARG 14 -8.238 -0.686 -1.734
86 1HG ARG 14 HG2 ARG 14 -9.177 -1.196 -3.774
87 2HG ARG 14 HG1 ARG 14 -9.411 0.551 -3.682
88 1HD ARG 14 HD2 ARG 14 -7.646 0.972 -5.177
89 2HD ARG 14 HD1 ARG 14 -7.007 -0.663 -5.011
90 HE ARG 14 HE ARG 14 -9.649 -0.646 -6.088
91 1HH1 ARG 14 HH11 ARG 14 -6.287 -0.187 -6.904
92 2HH1 ARG 14 HH12 ARG 14 -6.503 -0.618 -8.567
93 1HH2 ARG 14 HH21 ARG 14 -9.934 -1.213 -8.275
94 2HH2 ARG 14 HH22 ARG 14 -8.573 -1.200 -9.346
95 H LYS 15 HN LYS 15 -8.176 0.202 0.055
96 HA LYS 15 HA LYS 15 -9.740 2.490 0.934
97 1HB LYS 15 HB2 LYS 15 -11.702 0.945 1.428
98 2HB LYS 15 HB1 LYS 15 -11.455 1.387 -0.256
99 1HG LYS 15 HG2 LYS 15 -10.774 -0.721 -0.856
100 2HG LYS 15 HG1 LYS 15 -10.238 -1.128 0.776
101 1HD LYS 15 HD2 LYS 15 -12.427 -1.513 1.520
102 2HD LYS 15 HD1 LYS 15 -13.136 -0.664 0.144
103 1HE LYS 15 HE2 LYS 15 -11.939 -2.539 -1.237
104 2HE LYS 15 HE1 LYS 15 -11.979 -3.411 0.294
105 1HZ LYS 15 HZ1 LYS 15 -13.921 -3.717 -1.306
106 2HZ LYS 15 HZ2 LYS 15 -14.416 -2.173 -0.825
107 3HZ LYS 15 HZ3 LYS 15 -14.290 -3.414 0.317
Start of MODEL 24
1 1H ARG 1 HT1 ARG 1 -5.367 -4.800 3.841
2 2H ARG 1 HT2 ARG 1 -3.987 -5.804 3.665
3 3H ARG 1 HT3 ARG 1 -5.242 -5.855 2.495
4 HA ARG 1 HA ARG 1 -3.590 -4.632 1.517
5 1HB ARG 1 HB2 ARG 1 -5.469 -2.660 2.835
6 2HB ARG 1 HB1 ARG 1 -4.614 -2.433 1.315
7 1HG ARG 1 HG2 ARG 1 -6.759 -4.478 1.851
8 2HG ARG 1 HG1 ARG 1 -6.947 -2.982 0.934
9 1HD ARG 1 HD2 ARG 1 -5.439 -3.753 -0.757
10 2HD ARG 1 HD1 ARG 1 -5.004 -5.165 0.204
11 HE ARG 1 HE ARG 1 -7.795 -5.096 -0.337
12 1HH1 ARG 1 HH11 ARG 1 -4.707 -5.853 -1.775
13 2HH1 ARG 1 HH12 ARG 1 -5.369 -6.991 -2.899
14 1HH2 ARG 1 HH21 ARG 1 -8.667 -6.592 -1.815
15 2HH2 ARG 1 HH22 ARG 1 -7.617 -7.411 -2.923
16 H CYS 2 HN CYS 2 -2.189 -2.658 1.583
17 HA CYS 2 HA CYS 2 -1.395 -1.657 4.158
18 1HB CYS 2 HB2 CYS 2 0.961 -2.464 3.969
19 2HB CYS 2 HB1 CYS 2 -0.208 -3.752 4.259
20 H CYS 3 HN CYS 3 -1.603 0.404 3.420
21 HA CYS 3 HA CYS 3 -0.157 1.181 0.995
22 1HB CYS 3 HB2 CYS 3 -2.599 1.834 1.452
23 2HB CYS 3 HB1 CYS 3 -1.947 2.967 2.636
24 H HIS 4 HN HIS 4 1.125 0.557 3.613
25 HA HIS 4 HA HIS 4 2.194 3.160 4.391
26 1HB HIS 4 HB2 HIS 4 3.345 0.901 5.799
27 2HB HIS 4 HB1 HIS 4 2.470 2.289 6.432
28 HD1 HIS 4 HD1 HIS 4 -0.330 1.776 5.356
29 HD2 HIS 4 HD2 HIS 4 2.096 -1.180 6.968
30 HE1 HIS 4 HE1 HIS 4 -1.899 -0.039 6.111
31 HE2 HIS 4 HE2 HIS 4 -0.413 -1.779 7.168
32 HA PRO 5 HA PRO 5 6.106 2.640 2.417
33 1HB PRO 5 HB2 PRO 5 7.951 3.256 4.337
34 2HB PRO 5 HB1 PRO 5 6.893 4.514 3.669
35 1HG PRO 5 HG2 PRO 5 6.608 2.948 6.213
36 2HG PRO 5 HG1 PRO 5 6.397 4.687 5.935
37 1HD PRO 5 HD2 PRO 5 4.297 3.009 6.095
38 2HD PRO 5 HD1 PRO 5 4.292 4.413 5.007
39 H GLN 6 HN GLN 6 5.315 0.641 5.065
40 HA GLN 6 HA GLN 6 7.692 -0.941 5.112
41 1HB GLN 6 HB2 GLN 6 6.355 -2.515 6.455
42 2HB GLN 6 HB1 GLN 6 6.219 -0.861 7.049
43 1HG GLN 6 HG2 GLN 6 4.023 -0.772 6.655
44 2HG GLN 6 HG1 GLN 6 4.166 -1.599 5.105
45 1HE2 GLN 6 HE21 GLN 6 3.587 -3.671 4.974
46 2HE2 GLN 6 HE22 GLN 6 3.151 -4.669 6.315
47 H CYS 7 HN CYS 7 4.837 -0.864 3.158
48 HA CYS 7 HA CYS 7 5.400 -3.515 2.052
49 1HB CYS 7 HB2 CYS 7 3.035 -1.755 2.179
50 2HB CYS 7 HB1 CYS 7 3.236 -2.622 0.657
51 H GLY 8 HN GLY 8 5.605 -0.128 1.288
52 1HA GLY 8 HA2 GLY 8 6.441 1.002 -0.518
53 2HA GLY 8 HA1 GLY 8 7.451 -0.419 -0.749
54 H ALA 9 HN ALA 9 7.387 -0.430 -2.966
55 HA ALA 9 HA ALA 9 5.301 0.033 -4.670
56 1HB ALA 9 HB1 ALA 9 6.632 -0.787 -6.299
57 2HB ALA 9 HB2 ALA 9 7.002 -2.262 -5.407
58 3HB ALA 9 HB3 ALA 9 7.839 -0.761 -5.013
59 H ALA 10 HN ALA 10 5.762 -2.742 -2.625
60 HA ALA 10 HA ALA 10 3.676 -4.252 -3.991
61 1HB ALA 10 HB1 ALA 10 4.472 -6.111 -2.961
62 2HB ALA 10 HB2 ALA 10 4.865 -5.253 -1.470
63 3HB ALA 10 HB3 ALA 10 5.929 -5.121 -2.870
64 H TYR 11 HN TYR 11 2.793 -1.840 -2.831
65 HA TYR 11 HA TYR 11 1.512 -2.526 -0.319
66 1HB TYR 11 HB2 TYR 11 0.453 -0.186 -0.686
67 2HB TYR 11 HB1 TYR 11 2.164 -0.292 -0.296
68 HD1 TYR 11 HD1 TYR 11 0.590 -0.916 -3.610
69 HD2 TYR 11 HD2 TYR 11 2.978 1.692 -1.243
70 HE1 TYR 11 HE1 TYR 11 1.124 0.402 -5.613
71 HE2 TYR 11 HE2 TYR 11 3.518 3.018 -3.242
72 HH TYR 11 HH TYR 11 3.382 2.117 -6.140
73 H SER 12 HN SER 12 -0.919 -1.572 -0.294
74 HA SER 12 HA SER 12 -2.375 -2.561 -2.628
75 1HB SER 12 HB2 SER 12 -2.033 -4.219 -0.488
76 2HB SER 12 HB1 SER 12 -3.546 -3.414 -0.057
77 HG SER 12 HG SER 12 -4.190 -3.977 -2.302
78 H CYS 13 HN CYS 13 -2.080 0.064 -2.066
79 HA CYS 13 HA CYS 13 -3.955 1.227 -0.344
80 1HB CYS 13 HB2 CYS 13 -3.012 2.407 -2.960
81 2HB CYS 13 HB1 CYS 13 -3.575 3.275 -1.536
82 H ARG 14 HN ARG 14 -6.092 1.142 -0.384
83 HA ARG 14 HA ARG 14 -7.510 1.349 -2.917
84 1HB ARG 14 HB2 ARG 14 -7.112 -1.125 -2.261
85 2HB ARG 14 HB1 ARG 14 -8.318 -0.833 -1.015
86 1HG ARG 14 HG2 ARG 14 -9.054 -0.009 -3.748
87 2HG ARG 14 HG1 ARG 14 -8.901 -1.745 -3.466
88 1HD ARG 14 HD2 ARG 14 -10.580 0.136 -1.811
89 2HD ARG 14 HD1 ARG 14 -11.197 -0.896 -3.101
90 HE ARG 14 HE ARG 14 -9.865 -2.569 -1.362
91 1HH1 ARG 14 HH11 ARG 14 -12.573 -0.375 -1.191
92 2HH1 ARG 14 HH12 ARG 14 -13.378 -1.268 0.055
93 1HH2 ARG 14 HH21 ARG 14 -10.923 -3.745 0.277
94 2HH2 ARG 14 HH22 ARG 14 -12.441 -3.180 0.889
95 H LYS 15 HN LYS 15 -8.078 0.682 0.543
96 HA LYS 15 HA LYS 15 -10.542 2.067 0.640
97 1HB LYS 15 HB2 LYS 15 -8.717 1.591 2.993
98 2HB LYS 15 HB1 LYS 15 -10.470 1.738 2.996
99 1HG LYS 15 HG2 LYS 15 -10.430 -0.495 3.077
100 2HG LYS 15 HG1 LYS 15 -10.133 -0.382 1.342
101 1HD LYS 15 HD2 LYS 15 -8.331 -1.648 1.807
102 2HD LYS 15 HD1 LYS 15 -7.615 -0.117 2.316
103 1HE LYS 15 HE2 LYS 15 -7.196 -1.482 4.135
104 2HE LYS 15 HE1 LYS 15 -8.687 -0.670 4.612
105 1HZ LYS 15 HZ1 LYS 15 -8.234 -3.462 3.908
106 2HZ LYS 15 HZ2 LYS 15 -9.701 -2.784 3.408
107 3HZ LYS 15 HZ3 LYS 15 -9.289 -2.789 5.048
Start of MODEL 25
1 1H ARG 1 HT1 ARG 1 -4.388 -0.350 6.427
2 2H ARG 1 HT2 ARG 1 -5.589 0.876 6.392
3 3H ARG 1 HT3 ARG 1 -4.105 1.148 7.210
4 HA ARG 1 HA ARG 1 -4.301 0.603 4.331
5 1HB ARG 1 HB2 ARG 1 -4.242 3.231 5.828
6 2HB ARG 1 HB1 ARG 1 -4.005 3.072 4.094
7 1HG ARG 1 HG2 ARG 1 -6.295 1.943 4.063
8 2HG ARG 1 HG1 ARG 1 -6.492 2.588 5.693
9 1HD ARG 1 HD2 ARG 1 -5.836 4.243 3.259
10 2HD ARG 1 HD1 ARG 1 -7.457 4.038 3.923
11 HE ARG 1 HE ARG 1 -5.359 5.713 4.949
12 1HH1 ARG 1 HH11 ARG 1 -8.280 3.977 5.744
13 2HH1 ARG 1 HH12 ARG 1 -8.648 4.971 7.113
14 1HH2 ARG 1 HH21 ARG 1 -5.840 7.021 6.751
15 2HH2 ARG 1 HH22 ARG 1 -7.263 6.700 7.685
16 H CYS 2 HN CYS 2 -2.354 0.520 3.345
17 HA CYS 2 HA CYS 2 0.022 1.492 4.721
18 1HB CYS 2 HB2 CYS 2 -0.476 -0.983 5.317
19 2HB CYS 2 HB1 CYS 2 0.046 -1.324 3.667
20 H CYS 3 HN CYS 3 -0.347 2.975 2.853
21 HA CYS 3 HA CYS 3 0.451 1.849 0.274
22 1HB CYS 3 HB2 CYS 3 -1.529 3.462 0.582
23 2HB CYS 3 HB1 CYS 3 -0.308 4.719 0.781
24 H HIS 4 HN HIS 4 2.297 2.226 2.580
25 HA HIS 4 HA HIS 4 4.102 4.282 1.556
26 1HB HIS 4 HB2 HIS 4 5.107 2.870 3.872
27 2HB HIS 4 HB1 HIS 4 4.748 4.580 3.674
28 HD1 HIS 4 HD1 HIS 4 1.720 4.561 3.473
29 HD2 HIS 4 HD2 HIS 4 3.856 2.236 6.166
30 HE1 HIS 4 HE1 HIS 4 0.109 4.041 5.333
31 HE2 HIS 4 HE2 HIS 4 1.452 2.708 6.998
32 HA PRO 5 HA PRO 5 7.007 1.446 -0.173
33 1HB PRO 5 HB2 PRO 5 9.437 2.291 0.744
34 2HB PRO 5 HB1 PRO 5 8.517 3.281 -0.406
35 1HG PRO 5 HG2 PRO 5 8.701 3.519 2.580
36 2HG PRO 5 HG1 PRO 5 8.791 4.789 1.344
37 1HD PRO 5 HD2 PRO 5 6.534 4.317 2.737
38 2HD PRO 5 HD1 PRO 5 6.496 4.830 1.037
39 H GLN 6 HN GLN 6 6.628 1.579 3.206
40 HA GLN 6 HA GLN 6 8.521 -0.439 3.916
41 1HB GLN 6 HB2 GLN 6 6.267 0.958 5.293
42 2HB GLN 6 HB1 GLN 6 6.889 -0.534 5.994
43 1HG GLN 6 HG2 GLN 6 8.233 0.915 7.076
44 2HG GLN 6 HG1 GLN 6 9.200 0.729 5.614
45 1HE2 GLN 6 HE21 GLN 6 9.894 2.874 6.693
46 2HE2 GLN 6 HE22 GLN 6 9.124 4.291 6.073
47 H CYS 7 HN CYS 7 5.304 -0.432 2.643
48 HA CYS 7 HA CYS 7 4.954 -3.270 3.285
49 1HB CYS 7 HB2 CYS 7 3.116 -1.043 2.567
50 2HB CYS 7 HB1 CYS 7 2.661 -2.665 2.044
51 H GLY 8 HN GLY 8 5.607 -1.106 0.652
52 1HA GLY 8 HA2 GLY 8 6.018 -1.452 -1.575
53 2HA GLY 8 HA1 GLY 8 6.608 -3.026 -1.056
54 H ALA 9 HN ALA 9 5.849 -4.220 -2.751
55 HA ALA 9 HA ALA 9 3.501 -4.047 -4.128
56 1HB ALA 9 HB1 ALA 9 5.267 -6.341 -3.432
57 2HB ALA 9 HB2 ALA 9 4.928 -5.612 -5.002
58 3HB ALA 9 HB3 ALA 9 3.731 -6.659 -4.238
59 H ALA 10 HN ALA 10 3.939 -5.228 -0.880
60 HA ALA 10 HA ALA 10 1.228 -6.300 -0.782
61 1HB ALA 10 HB1 ALA 10 2.013 -6.722 1.685
62 2HB ALA 10 HB2 ALA 10 3.614 -6.458 0.995
63 3HB ALA 10 HB3 ALA 10 2.585 -7.746 0.368
64 H TYR 11 HN TYR 11 1.319 -3.545 -1.231
65 HA TYR 11 HA TYR 11 0.861 -2.224 1.312
66 1HB TYR 11 HB2 TYR 11 0.240 -0.270 -0.287
67 2HB TYR 11 HB1 TYR 11 1.922 -0.764 -0.152
68 HD1 TYR 11 HD1 TYR 11 2.799 -0.133 -2.223
69 HD2 TYR 11 HD2 TYR 11 -0.784 -2.424 -2.101
70 HE1 TYR 11 HE1 TYR 11 2.910 -0.428 -4.662
71 HE2 TYR 11 HE2 TYR 11 -0.681 -2.727 -4.537
72 HH TYR 11 HH TYR 11 0.961 -0.936 -6.546
73 H SER 12 HN SER 12 -1.156 -0.587 1.102
74 HA SER 12 HA SER 12 -3.500 -2.066 0.160
75 1HB SER 12 HB2 SER 12 -2.854 -1.383 2.990
76 2HB SER 12 HB1 SER 12 -4.535 -1.223 2.471
77 HG SER 12 HG SER 12 -4.281 -3.437 1.657
78 H CYS 13 HN CYS 13 -2.482 0.076 -1.141
79 HA CYS 13 HA CYS 13 -3.385 2.601 -0.332
80 1HB CYS 13 HB2 CYS 13 -3.095 1.640 -3.181
81 2HB CYS 13 HB1 CYS 13 -3.017 3.303 -2.610
82 H ARG 14 HN ARG 14 -4.795 0.635 -2.937
83 HA ARG 14 HA ARG 14 -7.462 1.491 -2.046
84 1HB ARG 14 HB2 ARG 14 -6.143 2.049 -4.589
85 2HB ARG 14 HB1 ARG 14 -7.698 1.255 -4.799
86 1HG ARG 14 HG2 ARG 14 -8.866 3.039 -4.057
87 2HG ARG 14 HG1 ARG 14 -7.625 3.506 -2.891
88 1HD ARG 14 HD2 ARG 14 -6.253 4.080 -5.047
89 2HD ARG 14 HD1 ARG 14 -7.847 4.152 -5.797
90 HE ARG 14 HE ARG 14 -8.132 5.703 -3.602
91 1HH1 ARG 14 HH11 ARG 14 -5.798 5.654 -6.196
92 2HH1 ARG 14 HH12 ARG 14 -5.496 7.358 -6.124
93 1HH2 ARG 14 HH21 ARG 14 -7.736 7.944 -3.506
94 2HH2 ARG 14 HH22 ARG 14 -6.596 8.658 -4.597
95 H LYS 15 HN LYS 15 -9.062 0.186 -3.748
96 HA LYS 15 HA LYS 15 -10.027 -1.831 -4.161
97 1HB LYS 15 HB2 LYS 15 -7.128 -2.615 -4.469
98 2HB LYS 15 HB1 LYS 15 -8.463 -3.705 -4.817
99 1HG LYS 15 HG2 LYS 15 -9.299 -1.986 -6.451
100 2HG LYS 15 HG1 LYS 15 -7.770 -1.138 -6.215
101 1HD LYS 15 HD2 LYS 15 -6.523 -2.931 -7.110
102 2HD LYS 15 HD1 LYS 15 -7.898 -4.034 -7.014
103 1HE LYS 15 HE2 LYS 15 -7.978 -3.539 -9.237
104 2HE LYS 15 HE1 LYS 15 -8.987 -2.233 -8.617
105 1HZ LYS 15 HZ1 LYS 15 -6.658 -1.044 -8.476
106 2HZ LYS 15 HZ2 LYS 15 -7.565 -1.045 -9.903
107 3HZ LYS 15 HZ3 LYS 15 -6.281 -2.131 -9.717
Start of MODEL 26
1 1H ARG 1 HT1 ARG 1 -3.667 0.324 8.112
2 2H ARG 1 HT2 ARG 1 -4.855 -0.898 7.912
3 3H ARG 1 HT3 ARG 1 -4.828 0.456 6.858
4 HA ARG 1 HA ARG 1 -2.985 -1.812 7.020
5 1HB ARG 1 HB2 ARG 1 -4.922 -0.625 5.097
6 2HB ARG 1 HB1 ARG 1 -3.479 -1.372 4.424
7 1HG ARG 1 HG2 ARG 1 -4.851 -3.175 4.429
8 2HG ARG 1 HG1 ARG 1 -4.183 -3.335 6.055
9 1HD ARG 1 HD2 ARG 1 -6.172 -1.935 6.824
10 2HD ARG 1 HD1 ARG 1 -6.858 -2.243 5.229
11 HE ARG 1 HE ARG 1 -6.024 -4.623 6.609
12 1HH1 ARG 1 HH11 ARG 1 -8.626 -2.341 6.156
13 2HH1 ARG 1 HH12 ARG 1 -9.857 -3.458 6.640
14 1HH2 ARG 1 HH21 ARG 1 -7.642 -6.094 7.245
15 2HH2 ARG 1 HH22 ARG 1 -9.299 -5.589 7.259
16 H CYS 2 HN CYS 2 -1.437 -1.543 4.967
17 HA CYS 2 HA CYS 2 -0.061 1.036 5.336
18 1HB CYS 2 HB2 CYS 2 2.025 -0.117 4.844
19 2HB CYS 2 HB1 CYS 2 1.194 -0.922 6.174
20 H CYS 3 HN CYS 3 -0.067 2.344 3.640
21 HA CYS 3 HA CYS 3 -0.188 1.162 0.946
22 1HB CYS 3 HB2 CYS 3 -2.365 2.168 1.673
23 2HB CYS 3 HB1 CYS 3 -1.545 3.724 1.802
24 H HIS 4 HN HIS 4 2.093 2.129 2.580
25 HA HIS 4 HA HIS 4 2.982 4.347 0.861
26 1HB HIS 4 HB2 HIS 4 4.774 4.454 2.839
27 2HB HIS 4 HB1 HIS 4 3.239 5.311 2.906
28 HD1 HIS 4 HD1 HIS 4 3.976 1.658 3.682
29 HD2 HIS 4 HD2 HIS 4 2.541 5.100 5.507
30 HE1 HIS 4 HE1 HIS 4 3.265 0.948 5.988
31 HE2 HIS 4 HE2 HIS 4 2.483 3.067 7.105
32 HA PRO 5 HA PRO 5 6.245 2.217 -1.123
33 1HB PRO 5 HB2 PRO 5 8.076 4.015 0.406
34 2HB PRO 5 HB1 PRO 5 8.140 3.651 -1.318
35 1HG PRO 5 HG2 PRO 5 7.118 5.946 -0.487
36 2HG PRO 5 HG1 PRO 5 6.314 5.040 -1.782
37 1HD PRO 5 HD2 PRO 5 5.511 5.392 1.062
38 2HD PRO 5 HD1 PRO 5 4.500 5.175 -0.380
39 H GLN 6 HN GLN 6 6.446 2.688 2.338
40 HA GLN 6 HA GLN 6 8.589 0.994 2.925
41 1HB GLN 6 HB2 GLN 6 6.119 1.506 4.594
42 2HB GLN 6 HB1 GLN 6 7.648 0.858 5.183
43 1HG GLN 6 HG2 GLN 6 7.342 3.575 3.928
44 2HG GLN 6 HG1 GLN 6 7.283 3.271 5.664
45 1HE2 GLN 6 HE21 GLN 6 9.295 3.281 2.819
46 2HE2 GLN 6 HE22 GLN 6 10.811 3.263 3.647
47 H CYS 7 HN CYS 7 5.307 0.283 2.035
48 HA CYS 7 HA CYS 7 5.661 -2.541 2.736
49 1HB CYS 7 HB2 CYS 7 3.368 -0.750 2.514
50 2HB CYS 7 HB1 CYS 7 3.116 -2.277 1.667
51 H GLY 8 HN GLY 8 5.628 -0.392 0.042
52 1HA GLY 8 HA2 GLY 8 5.903 -0.722 -2.204
53 2HA GLY 8 HA1 GLY 8 6.651 -2.248 -1.752
54 H ALA 9 HN ALA 9 5.811 -3.498 -3.370
55 HA ALA 9 HA ALA 9 3.157 -3.443 -4.275
56 1HB ALA 9 HB1 ALA 9 5.308 -5.531 -4.423
57 2HB ALA 9 HB2 ALA 9 4.730 -4.450 -5.691
58 3HB ALA 9 HB3 ALA 9 3.712 -5.777 -5.131
59 H ALA 10 HN ALA 10 4.475 -4.716 -1.384
60 HA ALA 10 HA ALA 10 2.382 -6.678 -0.990
61 1HB ALA 10 HB1 ALA 10 4.489 -5.741 0.950
62 2HB ALA 10 HB2 ALA 10 4.685 -7.072 -0.191
63 3HB ALA 10 HB3 ALA 10 3.482 -7.182 1.094
64 H TYR 11 HN TYR 11 2.178 -3.486 -0.973
65 HA TYR 11 HA TYR 11 1.203 -2.751 1.544
66 1HB TYR 11 HB2 TYR 11 -0.121 -1.005 0.151
67 2HB TYR 11 HB1 TYR 11 1.637 -0.945 0.140
68 HD1 TYR 11 HD1 TYR 11 1.670 0.318 -1.932
69 HD2 TYR 11 HD2 TYR 11 -0.144 -3.528 -1.765
70 HE1 TYR 11 HE1 TYR 11 1.660 0.220 -4.389
71 HE2 TYR 11 HE2 TYR 11 -0.156 -3.635 -4.220
72 HH TYR 11 HH TYR 11 1.618 -2.015 -6.142
73 H SER 12 HN SER 12 -1.239 -1.846 1.573
74 HA SER 12 HA SER 12 -3.079 -3.882 0.583
75 1HB SER 12 HB2 SER 12 -2.260 -4.555 2.892
76 2HB SER 12 HB1 SER 12 -3.077 -3.114 3.506
77 HG SER 12 HG SER 12 -5.022 -3.970 2.585
78 H CYS 13 HN CYS 13 -2.895 -1.372 -0.408
79 HA CYS 13 HA CYS 13 -4.567 0.524 0.885
80 1HB CYS 13 HB2 CYS 13 -2.838 0.575 -1.263
81 2HB CYS 13 HB1 CYS 13 -4.411 0.759 -2.031
82 H ARG 14 HN ARG 14 -6.349 1.421 -0.963
83 HA ARG 14 HA ARG 14 -8.097 -0.828 -1.630
84 1HB ARG 14 HB2 ARG 14 -10.036 0.534 -0.667
85 2HB ARG 14 HB1 ARG 14 -8.986 -0.289 0.478
86 1HG ARG 14 HG2 ARG 14 -9.431 1.884 1.329
87 2HG ARG 14 HG1 ARG 14 -7.754 1.859 0.780
88 1HD ARG 14 HD2 ARG 14 -8.271 3.093 -1.166
89 2HD ARG 14 HD1 ARG 14 -10.004 2.845 -0.953
90 HE ARG 14 HE ARG 14 -8.371 4.853 0.297
91 1HH1 ARG 14 HH11 ARG 14 -11.317 2.999 0.546
92 2HH1 ARG 14 HH12 ARG 14 -12.110 4.161 1.556
93 1HH2 ARG 14 HH21 ARG 14 -9.413 6.382 1.626
94 2HH2 ARG 14 HH22 ARG 14 -11.029 6.081 2.169
95 H LYS 15 HN LYS 15 -6.487 1.010 -3.210
96 HA LYS 15 HA LYS 15 -8.646 2.121 -4.858
97 1HB LYS 15 HB2 LYS 15 -6.301 3.557 -3.722
98 2HB LYS 15 HB1 LYS 15 -6.778 3.957 -5.366
99 1HG LYS 15 HG2 LYS 15 -9.073 4.409 -4.527
100 2HG LYS 15 HG1 LYS 15 -8.471 4.159 -2.887
101 1HD LYS 15 HD2 LYS 15 -8.193 6.408 -2.986
102 2HD LYS 15 HD1 LYS 15 -6.666 5.940 -3.736
103 1HE LYS 15 HE2 LYS 15 -8.966 6.170 -5.560
104 2HE LYS 15 HE1 LYS 15 -8.424 7.679 -4.827
105 1HZ LYS 15 HZ1 LYS 15 -7.211 7.460 -6.802
106 2HZ LYS 15 HZ2 LYS 15 -6.880 5.823 -6.538
107 3HZ LYS 15 HZ3 LYS 15 -6.126 7.001 -5.586
Start of MODEL 27
1 1H ARG 1 HT1 ARG 1 -2.714 -3.658 7.631
2 2H ARG 1 HT2 ARG 1 -2.946 -3.924 5.952
3 3H ARG 1 HT3 ARG 1 -4.287 -3.558 6.958
4 HA ARG 1 HA ARG 1 -3.683 -1.666 5.693
5 1HB ARG 1 HB2 ARG 1 -4.253 -1.754 8.305
6 2HB ARG 1 HB1 ARG 1 -2.659 -1.020 8.413
7 1HG ARG 1 HG2 ARG 1 -3.819 0.890 8.212
8 2HG ARG 1 HG1 ARG 1 -3.749 0.513 6.489
9 1HD ARG 1 HD2 ARG 1 -5.946 -0.013 6.379
10 2HD ARG 1 HD1 ARG 1 -5.967 -0.718 7.995
11 HE ARG 1 HE ARG 1 -6.664 1.952 7.282
12 1HH1 ARG 1 HH11 ARG 1 -5.284 0.011 9.833
13 2HH1 ARG 1 HH12 ARG 1 -5.744 1.110 11.089
14 1HH2 ARG 1 HH21 ARG 1 -7.270 3.400 8.933
15 2HH2 ARG 1 HH22 ARG 1 -6.872 3.034 10.579
16 H CYS 2 HN CYS 2 -1.954 -1.902 4.261
17 HA CYS 2 HA CYS 2 0.552 -0.765 5.222
18 1HB CYS 2 HB2 CYS 2 0.494 -3.421 5.122
19 2HB CYS 2 HB1 CYS 2 0.798 -3.123 3.411
20 H CYS 3 HN CYS 3 -0.432 1.016 3.990
21 HA CYS 3 HA CYS 3 0.009 0.697 1.093
22 1HB CYS 3 HB2 CYS 3 -2.360 1.135 1.754
23 2HB CYS 3 HB1 CYS 3 -1.843 2.680 2.429
24 H HIS 4 HN HIS 4 1.947 1.397 3.176
25 HA HIS 4 HA HIS 4 2.526 4.201 2.609
26 1HB HIS 4 HB2 HIS 4 4.487 2.871 4.280
27 2HB HIS 4 HB1 HIS 4 3.480 4.270 4.633
28 HD1 HIS 4 HD1 HIS 4 0.714 3.013 4.754
29 HD2 HIS 4 HD2 HIS 4 4.100 1.288 6.421
30 HE1 HIS 4 HE1 HIS 4 -0.136 1.467 6.546
31 HE2 HIS 4 HE2 HIS 4 1.937 0.502 7.604
32 HA PRO 5 HA PRO 5 5.855 3.434 -0.186
33 1HB PRO 5 HB2 PRO 5 7.991 4.832 0.818
34 2HB PRO 5 HB1 PRO 5 6.607 5.675 0.100
35 1HG PRO 5 HG2 PRO 5 7.208 5.128 2.988
36 2HG PRO 5 HG1 PRO 5 6.633 6.622 2.223
37 1HD PRO 5 HD2 PRO 5 4.957 4.976 3.519
38 2HD PRO 5 HD1 PRO 5 4.452 5.844 2.054
39 H GLN 6 HN GLN 6 6.176 2.434 3.064
40 HA GLN 6 HA GLN 6 8.703 1.085 2.718
41 1HB GLN 6 HB2 GLN 6 6.718 1.386 4.925
42 2HB GLN 6 HB1 GLN 6 7.817 0.010 4.980
43 1HG GLN 6 HG2 GLN 6 9.583 1.954 4.482
44 2HG GLN 6 HG1 GLN 6 8.355 2.890 5.334
45 1HE2 GLN 6 HE21 GLN 6 10.759 2.721 6.473
46 2HE2 GLN 6 HE22 GLN 6 10.730 1.672 7.845
47 H CYS 7 HN CYS 7 5.309 0.333 2.445
48 HA CYS 7 HA CYS 7 5.635 -2.508 2.451
49 1HB CYS 7 HB2 CYS 7 3.301 -1.010 1.273
50 2HB CYS 7 HB1 CYS 7 3.320 -2.615 1.996
51 H GLY 8 HN GLY 8 5.781 0.014 0.065
52 1HA GLY 8 HA2 GLY 8 6.217 0.001 -2.182
53 2HA GLY 8 HA1 GLY 8 7.104 -1.479 -1.844
54 H ALA 9 HN ALA 9 6.546 -2.507 -3.735
55 HA ALA 9 HA ALA 9 4.095 -2.649 -4.973
56 1HB ALA 9 HB1 ALA 9 5.940 -3.528 -6.125
57 2HB ALA 9 HB2 ALA 9 4.901 -4.916 -5.803
58 3HB ALA 9 HB3 ALA 9 6.336 -4.640 -4.815
59 H ALA 10 HN ALA 10 5.079 -4.183 -2.024
60 HA ALA 10 HA ALA 10 2.815 -6.021 -2.065
61 1HB ALA 10 HB1 ALA 10 3.846 -7.192 -0.394
62 2HB ALA 10 HB2 ALA 10 4.593 -5.755 0.306
63 3HB ALA 10 HB3 ALA 10 5.252 -6.463 -1.169
64 H TYR 11 HN TYR 11 2.176 -3.242 -2.019
65 HA TYR 11 HA TYR 11 1.540 -2.451 0.655
66 1HB TYR 11 HB2 TYR 11 0.376 -0.576 -0.373
67 2HB TYR 11 HB1 TYR 11 1.940 -0.802 -1.143
68 HD1 TYR 11 HD1 TYR 11 -1.642 -0.751 -1.605
69 HD2 TYR 11 HD2 TYR 11 2.047 -1.845 -3.417
70 HE1 TYR 11 HE1 TYR 11 -2.755 -0.849 -3.795
71 HE2 TYR 11 HE2 TYR 11 0.946 -1.945 -5.613
72 HH TYR 11 HH TYR 11 -1.403 -0.655 -6.554
73 H SER 12 HN SER 12 -0.967 -1.558 0.716
74 HA SER 12 HA SER 12 -2.880 -3.470 -0.229
75 1HB SER 12 HB2 SER 12 -2.371 -3.370 2.754
76 2HB SER 12 HB1 SER 12 -3.577 -4.355 1.920
77 HG SER 12 HG SER 12 -2.075 -5.741 1.372
78 H CYS 13 HN CYS 13 -3.451 -1.278 -1.024
79 HA CYS 13 HA CYS 13 -4.676 0.471 0.964
80 1HB CYS 13 HB2 CYS 13 -3.397 0.882 -1.536
81 2HB CYS 13 HB1 CYS 13 -5.068 1.401 -1.719
82 H ARG 14 HN ARG 14 -6.725 1.612 -0.420
83 HA ARG 14 HA ARG 14 -8.500 -0.484 -1.367
84 1HB ARG 14 HB2 ARG 14 -8.726 -0.454 1.126
85 2HB ARG 14 HB1 ARG 14 -9.267 1.215 1.011
86 1HG ARG 14 HG2 ARG 14 -11.287 0.198 1.061
87 2HG ARG 14 HG1 ARG 14 -11.003 0.133 -0.679
88 1HD ARG 14 HD2 ARG 14 -9.929 -2.144 -0.235
89 2HD ARG 14 HD1 ARG 14 -10.682 -2.052 1.356
90 HE ARG 14 HE ARG 14 -12.713 -2.482 0.387
91 1HH1 ARG 14 HH11 ARG 14 -10.422 -1.631 -2.104
92 2HH1 ARG 14 HH12 ARG 14 -11.486 -2.055 -3.403
93 1HH2 ARG 14 HH21 ARG 14 -14.114 -3.041 -1.320
94 2HH2 ARG 14 HH22 ARG 14 -13.583 -2.855 -2.958
95 H LYS 15 HN LYS 15 -8.213 0.820 -3.292
96 HA LYS 15 HA LYS 15 -10.065 3.099 -3.322
97 1HB LYS 15 HB2 LYS 15 -8.564 4.289 -4.883
98 2HB LYS 15 HB1 LYS 15 -7.835 4.053 -3.300
99 1HG LYS 15 HG2 LYS 15 -6.065 3.395 -4.513
100 2HG LYS 15 HG1 LYS 15 -6.929 1.857 -4.564
101 1HD LYS 15 HD2 LYS 15 -6.663 2.067 -6.792
102 2HD LYS 15 HD1 LYS 15 -8.059 3.139 -6.663
103 1HE LYS 15 HE2 LYS 15 -6.718 4.606 -7.718
104 2HE LYS 15 HE1 LYS 15 -6.058 4.864 -6.103
105 1HZ LYS 15 HZ1 LYS 15 -4.881 3.517 -8.396
106 2HZ LYS 15 HZ2 LYS 15 -4.588 2.805 -6.890
107 3HZ LYS 15 HZ3 LYS 15 -4.139 4.412 -7.167
Start of MODEL 28
1 1H ARG 1 HT1 ARG 1 -2.555 -0.255 8.177
2 2H ARG 1 HT2 ARG 1 -4.233 0.095 8.104
3 3H ARG 1 HT3 ARG 1 -3.104 1.354 8.394
4 HA ARG 1 HA ARG 1 -3.346 -0.248 5.936
5 1HB ARG 1 HB2 ARG 1 -4.263 2.487 6.783
6 2HB ARG 1 HB1 ARG 1 -3.941 2.138 5.090
7 1HG ARG 1 HG2 ARG 1 -5.548 0.191 5.336
8 2HG ARG 1 HG1 ARG 1 -6.012 0.909 6.880
9 1HD ARG 1 HD2 ARG 1 -7.506 1.570 5.031
10 2HD ARG 1 HD1 ARG 1 -6.692 2.945 5.777
11 HE ARG 1 HE ARG 1 -5.231 1.996 3.539
12 1HH1 ARG 1 HH11 ARG 1 -8.070 3.835 4.399
13 2HH1 ARG 1 HH12 ARG 1 -8.062 4.766 2.940
14 1HH2 ARG 1 HH21 ARG 1 -5.219 3.220 1.619
15 2HH2 ARG 1 HH22 ARG 1 -6.444 4.418 1.361
16 H CYS 2 HN CYS 2 -1.895 0.308 4.288
17 HA CYS 2 HA CYS 2 0.135 2.299 4.700
18 1HB CYS 2 HB2 CYS 2 2.044 0.767 4.691
19 2HB CYS 2 HB1 CYS 2 1.016 0.476 6.094
20 H CYS 3 HN CYS 3 0.364 3.172 2.758
21 HA CYS 3 HA CYS 3 0.330 1.399 0.406
22 1HB CYS 3 HB2 CYS 3 -1.741 2.791 0.640
23 2HB CYS 3 HB1 CYS 3 -0.730 4.229 0.498
24 H HIS 4 HN HIS 4 2.584 2.455 2.016
25 HA HIS 4 HA HIS 4 3.895 4.110 -0.034
26 1HB HIS 4 HB2 HIS 4 5.548 4.422 2.035
27 2HB HIS 4 HB1 HIS 4 4.136 5.446 1.796
28 HD1 HIS 4 HD1 HIS 4 4.343 1.974 3.345
29 HD2 HIS 4 HD2 HIS 4 3.256 5.862 4.315
30 HE1 HIS 4 HE1 HIS 4 3.405 1.847 5.675
31 HE2 HIS 4 HE2 HIS 4 2.835 4.227 6.275
32 HA PRO 5 HA PRO 5 7.012 1.285 -1.228
33 1HB PRO 5 HB2 PRO 5 8.910 3.040 0.274
34 2HB PRO 5 HB1 PRO 5 9.130 2.379 -1.346
35 1HG PRO 5 HG2 PRO 5 8.385 4.901 -1.029
36 2HG PRO 5 HG1 PRO 5 7.625 3.905 -2.284
37 1HD PRO 5 HD2 PRO 5 6.516 4.860 0.303
38 2HD PRO 5 HD1 PRO 5 5.682 4.494 -1.220
39 H GLN 6 HN GLN 6 6.912 2.273 2.132
40 HA GLN 6 HA GLN 6 8.668 0.396 3.226
41 1HB GLN 6 HB2 GLN 6 7.231 2.420 4.253
42 2HB GLN 6 HB1 GLN 6 6.228 1.070 4.775
43 1HG GLN 6 HG2 GLN 6 8.168 0.060 5.872
44 2HG GLN 6 HG1 GLN 6 9.160 1.426 5.361
45 1HE2 GLN 6 HE21 GLN 6 7.616 0.177 7.913
46 2HE2 GLN 6 HE22 GLN 6 7.251 1.617 8.796
47 H CYS 7 HN CYS 7 5.332 0.098 2.201
48 HA CYS 7 HA CYS 7 5.236 -2.653 3.210
49 1HB CYS 7 HB2 CYS 7 3.209 -0.602 2.557
50 2HB CYS 7 HB1 CYS 7 2.778 -2.260 2.138
51 H GLY 8 HN GLY 8 5.339 -0.780 0.275
52 1HA GLY 8 HA2 GLY 8 5.520 -1.372 -1.929
53 2HA GLY 8 HA1 GLY 8 6.290 -2.831 -1.320
54 H ALA 9 HN ALA 9 5.415 -4.243 -2.785
55 HA ALA 9 HA ALA 9 2.883 -4.378 -3.804
56 1HB ALA 9 HB1 ALA 9 5.044 -5.907 -4.077
57 2HB ALA 9 HB2 ALA 9 3.440 -6.432 -4.587
58 3HB ALA 9 HB3 ALA 9 4.093 -6.969 -3.039
59 H ALA 10 HN ALA 10 3.889 -5.177 -0.571
60 HA ALA 10 HA ALA 10 1.349 -6.479 0.028
61 1HB ALA 10 HB1 ALA 10 2.331 -7.348 1.897
62 2HB ALA 10 HB2 ALA 10 3.377 -5.948 2.135
63 3HB ALA 10 HB3 ALA 10 3.757 -7.130 0.883
64 H TYR 11 HN TYR 11 1.114 -3.768 -0.683
65 HA TYR 11 HA TYR 11 0.837 -2.257 1.778
66 1HB TYR 11 HB2 TYR 11 -0.150 -0.519 0.123
67 2HB TYR 11 HB1 TYR 11 1.573 -0.865 0.063
68 HD1 TYR 11 HD1 TYR 11 2.080 -0.325 -2.160
69 HD2 TYR 11 HD2 TYR 11 -1.174 -2.944 -1.348
70 HE1 TYR 11 HE1 TYR 11 1.897 -0.836 -4.558
71 HE2 TYR 11 HE2 TYR 11 -1.363 -3.462 -3.742
72 HH TYR 11 HH TYR 11 0.270 -3.411 -5.772
73 H SER 12 HN SER 12 -1.341 -0.829 1.693
74 HA SER 12 HA SER 12 -3.605 -2.651 1.274
75 1HB SER 12 HB2 SER 12 -2.725 -2.479 3.726
76 2HB SER 12 HB1 SER 12 -3.512 -0.898 3.712
77 HG SER 12 HG SER 12 -5.030 -2.321 4.419
78 H CYS 13 HN CYS 13 -2.978 -0.729 -0.525
79 HA CYS 13 HA CYS 13 -4.301 1.753 0.009
80 1HB CYS 13 HB2 CYS 13 -2.527 0.791 -1.935
81 2HB CYS 13 HB1 CYS 13 -4.004 1.170 -2.814
82 H ARG 14 HN ARG 14 -5.794 2.288 -2.207
83 HA ARG 14 HA ARG 14 -8.211 0.810 -1.628
84 1HB ARG 14 HB2 ARG 14 -9.264 2.455 -3.189
85 2HB ARG 14 HB1 ARG 14 -8.429 3.190 -1.827
86 1HG ARG 14 HG2 ARG 14 -6.823 2.842 -4.269
87 2HG ARG 14 HG1 ARG 14 -8.152 3.998 -4.375
88 1HD ARG 14 HD2 ARG 14 -6.462 4.157 -1.958
89 2HD ARG 14 HD1 ARG 14 -5.700 4.631 -3.475
90 HE ARG 14 HE ARG 14 -8.271 5.838 -3.073
91 1HH1 ARG 14 HH11 ARG 14 -4.864 6.099 -2.363
92 2HH1 ARG 14 HH12 ARG 14 -4.921 7.811 -2.105
93 1HH2 ARG 14 HH21 ARG 14 -8.348 8.089 -2.736
94 2HH2 ARG 14 HH22 ARG 14 -6.899 8.941 -2.317
95 H LYS 15 HN LYS 15 -7.482 -1.238 -2.499
96 HA LYS 15 HA LYS 15 -7.033 -1.444 -5.345
97 1HB LYS 15 HB2 LYS 15 -7.325 -3.557 -3.203
98 2HB LYS 15 HB1 LYS 15 -6.929 -3.892 -4.883
99 1HG LYS 15 HG2 LYS 15 -4.864 -2.649 -4.680
100 2HG LYS 15 HG1 LYS 15 -5.272 -2.200 -3.023
101 1HD LYS 15 HD2 LYS 15 -5.324 -5.087 -3.593
102 2HD LYS 15 HD1 LYS 15 -3.734 -4.327 -3.695
103 1HE LYS 15 HE2 LYS 15 -4.018 -3.422 -1.445
104 2HE LYS 15 HE1 LYS 15 -5.617 -4.159 -1.344
105 1HZ LYS 15 HZ1 LYS 15 -3.383 -5.924 -1.977
106 2HZ LYS 15 HZ2 LYS 15 -4.752 -6.210 -1.026
107 3HZ LYS 15 HZ3 LYS 15 -3.455 -5.325 -0.396
Start of MODEL 29
1 1H ARG 1 HT1 ARG 1 -5.232 -1.632 4.580
2 2H ARG 1 HT2 ARG 1 -4.395 -1.378 6.057
3 3H ARG 1 HT3 ARG 1 -3.523 -1.751 4.626
4 HA ARG 1 HA ARG 1 -4.507 0.321 3.673
5 1HB ARG 1 HB2 ARG 1 -4.973 0.794 6.626
6 2HB ARG 1 HB1 ARG 1 -5.187 1.985 5.350
7 1HG ARG 1 HG2 ARG 1 -7.329 1.349 5.426
8 2HG ARG 1 HG1 ARG 1 -6.779 -0.020 4.459
9 1HD ARG 1 HD2 ARG 1 -8.094 -0.857 6.280
10 2HD ARG 1 HD1 ARG 1 -6.408 -1.284 6.566
11 HE ARG 1 HE ARG 1 -6.483 -0.045 8.475
12 1HH1 ARG 1 HH11 ARG 1 -9.058 1.028 6.378
13 2HH1 ARG 1 HH12 ARG 1 -9.723 2.120 7.547
14 1HH2 ARG 1 HH21 ARG 1 -7.356 1.389 10.013
15 2HH2 ARG 1 HH22 ARG 1 -8.757 2.325 9.610
16 H CYS 2 HN CYS 2 -2.193 -0.213 3.284
17 HA CYS 2 HA CYS 2 -0.504 1.629 4.808
18 1HB CYS 2 HB2 CYS 2 1.349 -0.042 4.795
19 2HB CYS 2 HB1 CYS 2 -0.017 -0.512 5.806
20 H CYS 3 HN CYS 3 -0.309 3.080 3.165
21 HA CYS 3 HA CYS 3 0.553 2.118 0.538
22 1HB CYS 3 HB2 CYS 3 -1.366 3.802 0.892
23 2HB CYS 3 HB1 CYS 3 -0.093 4.975 1.230
24 H HIS 4 HN HIS 4 2.277 2.239 2.972
25 HA HIS 4 HA HIS 4 4.229 4.275 2.216
26 1HB HIS 4 HB2 HIS 4 5.022 2.608 4.451
27 2HB HIS 4 HB1 HIS 4 4.789 4.350 4.379
28 HD1 HIS 4 HD1 HIS 4 1.778 4.545 4.003
29 HD2 HIS 4 HD2 HIS 4 3.603 1.897 6.624
30 HE1 HIS 4 HE1 HIS 4 0.029 3.997 5.725
31 HE2 HIS 4 HE2 HIS 4 1.187 2.463 7.356
32 HA PRO 5 HA PRO 5 7.113 1.470 0.402
33 1HB PRO 5 HB2 PRO 5 9.511 2.065 1.573
34 2HB PRO 5 HB1 PRO 5 8.740 3.215 0.465
35 1HG PRO 5 HG2 PRO 5 8.705 3.155 3.465
36 2HG PRO 5 HG1 PRO 5 8.959 4.529 2.372
37 1HD PRO 5 HD2 PRO 5 6.581 4.072 3.546
38 2HD PRO 5 HD1 PRO 5 6.698 4.736 1.903
39 H GLN 6 HN GLN 6 6.521 1.292 3.755
40 HA GLN 6 HA GLN 6 8.235 -0.901 4.375
41 1HB GLN 6 HB2 GLN 6 7.315 0.648 6.084
42 2HB GLN 6 HB1 GLN 6 5.708 -0.006 5.777
43 1HG GLN 6 HG2 GLN 6 6.999 -2.282 6.309
44 2HG GLN 6 HG1 GLN 6 7.986 -1.168 7.253
45 1HE2 GLN 6 HE21 GLN 6 6.656 -3.085 8.569
46 2HE2 GLN 6 HE22 GLN 6 5.322 -2.421 9.445
47 H CYS 7 HN CYS 7 5.105 -0.572 2.920
48 HA CYS 7 HA CYS 7 4.564 -3.434 3.203
49 1HB CYS 7 HB2 CYS 7 2.932 -1.031 2.674
50 2HB CYS 7 HB1 CYS 7 2.457 -2.472 1.775
51 H GLY 8 HN GLY 8 5.520 -1.047 0.861
52 1HA GLY 8 HA2 GLY 8 6.134 -1.198 -1.339
53 2HA GLY 8 HA1 GLY 8 6.590 -2.850 -0.943
54 H ALA 9 HN ALA 9 5.932 -3.783 -2.840
55 HA ALA 9 HA ALA 9 3.680 -3.315 -4.330
56 1HB ALA 9 HB1 ALA 9 5.196 -4.758 -5.307
57 2HB ALA 9 HB2 ALA 9 3.867 -5.839 -4.890
58 3HB ALA 9 HB3 ALA 9 5.307 -5.779 -3.874
59 H ALA 10 HN ALA 10 3.881 -4.910 -1.252
60 HA ALA 10 HA ALA 10 1.183 -5.989 -1.487
61 1HB ALA 10 HB1 ALA 10 3.348 -7.016 -0.290
62 2HB ALA 10 HB2 ALA 10 1.698 -7.393 0.208
63 3HB ALA 10 HB3 ALA 10 2.627 -6.174 1.082
64 H TYR 11 HN TYR 11 1.362 -3.160 -1.567
65 HA TYR 11 HA TYR 11 0.632 -2.187 1.063
66 1HB TYR 11 HB2 TYR 11 0.175 -0.030 -0.308
67 2HB TYR 11 HB1 TYR 11 1.836 -0.564 -0.090
68 HD1 TYR 11 HD1 TYR 11 2.871 0.375 -1.974
69 HD2 TYR 11 HD2 TYR 11 -0.655 -1.952 -2.481
70 HE1 TYR 11 HE1 TYR 11 3.203 0.410 -4.410
71 HE2 TYR 11 HE2 TYR 11 -0.331 -1.925 -4.916
72 HH TYR 11 HH TYR 11 2.485 -1.140 -6.388
73 H SER 12 HN SER 12 -1.360 -0.512 0.866
74 HA SER 12 HA SER 12 -3.591 -1.827 -0.497
75 1HB SER 12 HB2 SER 12 -3.385 -2.681 1.890
76 2HB SER 12 HB1 SER 12 -3.784 -1.042 2.415
77 HG SER 12 HG SER 12 -5.490 -2.871 1.902
78 H CYS 13 HN CYS 13 -2.468 0.462 -1.386
79 HA CYS 13 HA CYS 13 -3.585 2.830 -0.293
80 1HB CYS 13 HB2 CYS 13 -1.664 2.271 -2.180
81 2HB CYS 13 HB1 CYS 13 -2.977 2.908 -3.163
82 H ARG 14 HN ARG 14 -4.659 0.523 -2.700
83 HA ARG 14 HA ARG 14 -7.331 1.632 -2.580
84 1HB ARG 14 HB2 ARG 14 -7.501 1.704 -5.096
85 2HB ARG 14 HB1 ARG 14 -6.522 2.972 -4.371
86 1HG ARG 14 HG2 ARG 14 -4.502 1.586 -4.890
87 2HG ARG 14 HG1 ARG 14 -5.562 0.508 -5.802
88 1HD ARG 14 HD2 ARG 14 -5.441 3.461 -6.339
89 2HD ARG 14 HD1 ARG 14 -4.330 2.326 -7.104
90 HE ARG 14 HE ARG 14 -6.787 1.277 -7.607
91 1HH1 ARG 14 HH11 ARG 14 -5.324 4.398 -8.151
92 2HH1 ARG 14 HH12 ARG 14 -6.268 4.733 -9.563
93 1HH2 ARG 14 HH21 ARG 14 -8.029 1.716 -9.464
94 2HH2 ARG 14 HH22 ARG 14 -7.804 3.211 -10.309
95 H LYS 15 HN LYS 15 -7.573 -0.455 -1.542
96 HA LYS 15 HA LYS 15 -7.636 -2.700 -3.448
97 1HB LYS 15 HB2 LYS 15 -7.486 -2.772 -0.428
98 2HB LYS 15 HB1 LYS 15 -7.539 -4.180 -1.480
99 1HG LYS 15 HG2 LYS 15 -5.378 -2.131 -1.771
100 2HG LYS 15 HG1 LYS 15 -5.270 -3.406 -0.556
101 1HD LYS 15 HD2 LYS 15 -5.191 -5.095 -2.160
102 2HD LYS 15 HD1 LYS 15 -5.865 -4.059 -3.420
103 1HE LYS 15 HE2 LYS 15 -3.701 -2.670 -3.078
104 2HE LYS 15 HE1 LYS 15 -3.084 -4.135 -2.314
105 1HZ LYS 15 HZ1 LYS 15 -3.731 -5.327 -4.394
106 2HZ LYS 15 HZ2 LYS 15 -2.474 -4.211 -4.583
107 3HZ LYS 15 HZ3 LYS 15 -4.035 -3.821 -5.104
Start of MODEL 30
1 1H ARG 1 HT1 ARG 1 -3.537 2.676 6.481
2 2H ARG 1 HT2 ARG 1 -4.402 4.154 6.366
3 3H ARG 1 HT3 ARG 1 -2.710 4.167 6.658
4 HA ARG 1 HA ARG 1 -3.891 2.987 4.248
5 1HB ARG 1 HB2 ARG 1 -3.270 5.179 3.174
6 2HB ARG 1 HB1 ARG 1 -4.648 5.253 4.263
7 1HG ARG 1 HG2 ARG 1 -3.578 6.573 5.753
8 2HG ARG 1 HG1 ARG 1 -2.004 5.837 5.442
9 1HD ARG 1 HD2 ARG 1 -1.658 7.127 3.514
10 2HD ARG 1 HD1 ARG 1 -3.359 7.578 3.407
11 HE ARG 1 HE ARG 1 -1.324 8.855 4.976
12 1HH1 ARG 1 HH11 ARG 1 -4.751 8.262 4.694
13 2HH1 ARG 1 HH12 ARG 1 -5.196 9.671 5.598
14 1HH2 ARG 1 HH21 ARG 1 -1.907 10.708 6.164
15 2HH2 ARG 1 HH22 ARG 1 -3.582 11.060 6.432
16 H CYS 2 HN CYS 2 -2.213 1.408 4.470
17 HA CYS 2 HA CYS 2 0.541 2.248 4.548
18 1HB CYS 2 HB2 CYS 2 -0.645 -0.018 5.336
19 2HB CYS 2 HB1 CYS 2 -0.186 -0.513 3.706
20 H CYS 3 HN CYS 3 0.455 3.655 2.666
21 HA CYS 3 HA CYS 3 0.597 2.157 0.132
22 1HB CYS 3 HB2 CYS 3 -1.259 3.856 0.344
23 2HB CYS 3 HB1 CYS 3 -0.012 5.101 0.424
24 H HIS 4 HN HIS 4 2.736 2.638 2.106
25 HA HIS 4 HA HIS 4 4.555 4.244 0.439
26 1HB HIS 4 HB2 HIS 4 5.860 3.969 2.850
27 2HB HIS 4 HB1 HIS 4 4.937 5.377 2.341
28 HD1 HIS 4 HD1 HIS 4 3.820 2.038 3.818
29 HD2 HIS 4 HD2 HIS 4 3.508 6.123 4.473
30 HE1 HIS 4 HE1 HIS 4 2.322 2.283 5.824
31 HE2 HIS 4 HE2 HIS 4 2.218 4.763 6.255
32 HA PRO 5 HA PRO 5 7.178 0.767 -0.243
33 1HB PRO 5 HB2 PRO 5 9.704 1.654 0.326
34 2HB PRO 5 HB1 PRO 5 8.834 2.246 -1.102
35 1HG PRO 5 HG2 PRO 5 9.126 3.512 1.603
36 2HG PRO 5 HG1 PRO 5 9.283 4.247 -0.004
37 1HD PRO 5 HD2 PRO 5 7.043 4.516 1.449
38 2HD PRO 5 HD1 PRO 5 6.986 4.355 -0.319
39 H GLN 6 HN GLN 6 5.961 0.733 2.327
40 HA GLN 6 HA GLN 6 8.037 -0.625 3.903
41 1HB GLN 6 HB2 GLN 6 5.713 1.075 4.784
42 2HB GLN 6 HB1 GLN 6 6.442 -0.108 5.868
43 1HG GLN 6 HG2 GLN 6 8.254 1.156 6.234
44 2HG GLN 6 HG1 GLN 6 8.350 1.688 4.556
45 1HE2 GLN 6 HE21 GLN 6 8.077 3.774 4.298
46 2HE2 GLN 6 HE22 GLN 6 7.105 4.810 5.282
47 H CYS 7 HN CYS 7 4.822 -0.683 2.563
48 HA CYS 7 HA CYS 7 4.304 -3.318 3.742
49 1HB CYS 7 HB2 CYS 7 2.604 -1.154 2.619
50 2HB CYS 7 HB1 CYS 7 2.046 -2.811 2.384
51 H GLY 8 HN GLY 8 5.161 -1.771 0.776
52 1HA GLY 8 HA2 GLY 8 5.652 -2.591 -1.300
53 2HA GLY 8 HA1 GLY 8 5.838 -4.152 -0.510
54 H ALA 9 HN ALA 9 4.841 -5.456 -1.966
55 HA ALA 9 HA ALA 9 2.585 -4.903 -3.476
56 1HB ALA 9 HB1 ALA 9 2.480 -7.198 -3.973
57 2HB ALA 9 HB2 ALA 9 3.211 -7.649 -2.433
58 3HB ALA 9 HB3 ALA 9 4.186 -6.865 -3.675
59 H ALA 10 HN ALA 10 2.811 -5.657 -0.111
60 HA ALA 10 HA ALA 10 -0.035 -6.287 0.069
61 1HB ALA 10 HB1 ALA 10 1.572 -6.131 2.535
62 2HB ALA 10 HB2 ALA 10 2.055 -7.367 1.373
63 3HB ALA 10 HB3 ALA 10 0.410 -7.349 2.008
64 H TYR 11 HN TYR 11 0.693 -3.619 -0.693
65 HA TYR 11 HA TYR 11 0.451 -1.915 1.605
66 1HB TYR 11 HB2 TYR 11 -0.018 -0.156 -0.266
67 2HB TYR 11 HB1 TYR 11 1.594 -0.839 -0.102
68 HD1 TYR 11 HD1 TYR 11 -1.376 -2.446 -1.661
69 HD2 TYR 11 HD2 TYR 11 2.423 -0.635 -2.284
70 HE1 TYR 11 HE1 TYR 11 -1.437 -3.143 -4.017
71 HE2 TYR 11 HE2 TYR 11 2.371 -1.326 -4.643
72 HH TYR 11 HH TYR 11 1.270 -3.071 -6.027
73 H SER 12 HN SER 12 -1.334 -0.048 1.227
74 HA SER 12 HA SER 12 -3.917 -1.384 0.784
75 1HB SER 12 HB2 SER 12 -2.936 0.028 3.216
76 2HB SER 12 HB1 SER 12 -4.623 0.281 2.756
77 HG SER 12 HG SER 12 -3.371 -1.972 3.744
78 H CYS 13 HN CYS 13 -2.953 -0.001 -1.241
79 HA CYS 13 HA CYS 13 -4.122 2.692 -1.074
80 1HB CYS 13 HB2 CYS 13 -1.674 1.821 -2.110
81 2HB CYS 13 HB1 CYS 13 -2.666 2.157 -3.525
82 H ARG 14 HN ARG 14 -4.256 -0.363 -2.762
83 HA ARG 14 HA ARG 14 -6.583 0.628 -4.277
84 1HB ARG 14 HB2 ARG 14 -4.308 -0.243 -5.421
85 2HB ARG 14 HB1 ARG 14 -5.150 -1.778 -5.252
86 1HG ARG 14 HG2 ARG 14 -6.440 0.612 -6.527
87 2HG ARG 14 HG1 ARG 14 -5.440 -0.521 -7.439
88 1HD ARG 14 HD2 ARG 14 -6.926 -2.283 -7.116
89 2HD ARG 14 HD1 ARG 14 -7.702 -1.502 -5.740
90 HE ARG 14 HE ARG 14 -8.255 0.162 -7.806
91 1HH1 ARG 14 HH11 ARG 14 -8.684 -3.264 -7.298
92 2HH1 ARG 14 HH12 ARG 14 -10.086 -3.366 -8.309
93 1HH2 ARG 14 HH21 ARG 14 -10.099 0.030 -9.136
94 2HH2 ARG 14 HH22 ARG 14 -10.890 -1.496 -9.353
95 H LYS 15 HN LYS 15 -5.134 -2.210 -2.715
96 HA LYS 15 HA LYS 15 -6.049 -4.013 -1.675
97 1HB LYS 15 HB2 LYS 15 -8.112 -1.897 -1.324
98 2HB LYS 15 HB1 LYS 15 -8.574 -3.551 -0.949
99 1HG LYS 15 HG2 LYS 15 -6.694 -3.708 0.619
100 2HG LYS 15 HG1 LYS 15 -6.274 -2.031 0.262
101 1HD LYS 15 HD2 LYS 15 -9.075 -2.491 1.044
102 2HD LYS 15 HD1 LYS 15 -7.878 -2.801 2.304
103 1HE LYS 15 HE2 LYS 15 -7.296 -0.620 2.476
104 2HE LYS 15 HE1 LYS 15 -7.526 -0.313 0.755
105 1HZ LYS 15 HZ1 LYS 15 -9.783 0.027 1.033
106 2HZ LYS 15 HZ2 LYS 15 -9.140 0.746 2.422
107 3HZ LYS 15 HZ3 LYS 15 -9.844 -0.788 2.515
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