NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5933 |
1i6y   |
5201 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 1 1HA ACE 1 4.384 -7.629 -5.419
2 2H ACE 1 2HA ACE 1 2.692 -7.153 -5.269
3 3H ACE 1 3HA ACE 1 3.781 -6.986 -3.891
4 H CYS 2 H CYS 2 2.239 -4.840 -5.003
5 HA CYS 2 HA CYS 2 4.465 -3.062 -5.940
6 1HB CYS 2 2HB CYS 2 1.713 -3.582 -7.044
7 2HB CYS 2 1HB CYS 2 2.449 -1.999 -7.274
8 H ARG 3 H ARG 3 4.538 -1.119 -4.822
9 HA ARG 3 HA ARG 3 2.477 -0.614 -2.754
10 1HB ARG 3 2HB ARG 3 4.916 -0.539 -2.243
11 2HB ARG 3 1HB ARG 3 5.101 0.768 -3.412
12 1HG ARG 3 2HG ARG 3 3.935 2.296 -2.081
13 2HG ARG 3 1HG ARG 3 3.100 1.032 -1.180
14 1HD ARG 3 2HD ARG 3 6.072 1.050 -0.959
15 2HD ARG 3 1HD ARG 3 5.209 2.375 -0.152
16 HE ARG 3 HE ARG 3 3.729 0.161 0.552
17 1HH1 ARG 3 2HH1 ARG 3 6.807 -0.702 0.033
18 2HH1 ARG 3 1HH1 ARG 3 7.269 -0.938 1.685
19 1HH2 ARG 3 1HH2 ARG 3 4.429 0.574 2.974
20 2HH2 ARG 3 2HH2 ARG 3 5.924 -0.218 3.347
21 H VAL 4 H VAL 4 3.991 2.212 -4.040
22 HA VAL 4 HA VAL 4 1.721 2.692 -5.865
23 HB VAL 4 HB VAL 4 2.091 5.112 -4.489
24 1HG1 VAL 4 1HG1 VAL 4 -0.089 3.355 -3.538
25 2HG1 VAL 4 2HG1 VAL 4 0.024 3.508 -5.290
26 3HG1 VAL 4 3HG1 VAL 4 -0.181 4.947 -4.291
27 1HG2 VAL 4 1HG2 VAL 4 1.629 4.412 -2.116
28 2HG2 VAL 4 2HG2 VAL 4 3.263 4.044 -2.662
29 3HG2 VAL 4 3HG2 VAL 4 2.054 2.764 -2.574
30 H VAL 5 H VAL 5 2.184 5.051 -6.956
31 HA VAL 5 HA VAL 5 4.899 4.687 -8.060
32 HB VAL 5 HB VAL 5 2.622 6.480 -8.896
33 1HG1 VAL 5 1HG1 VAL 5 5.043 5.458 -10.422
34 2HG1 VAL 5 2HG1 VAL 5 4.826 7.109 -9.842
35 3HG1 VAL 5 3HG1 VAL 5 3.757 6.464 -11.086
36 1HG2 VAL 5 1HG2 VAL 5 1.644 4.706 -9.924
37 2HG2 VAL 5 2HG2 VAL 5 2.607 3.723 -8.825
38 3HG2 VAL 5 3HG2 VAL 5 3.191 4.048 -10.455
39 H ARG 6 H ARG 6 3.617 6.735 -5.694
40 HA ARG 6 HA ARG 6 5.029 9.164 -6.450
41 1HB ARG 6 2HB ARG 6 3.177 8.316 -4.553
42 2HB ARG 6 1HB ARG 6 4.618 8.638 -3.587
43 1HG ARG 6 2HG ARG 6 4.776 10.898 -4.422
44 2HG ARG 6 1HG ARG 6 3.524 10.595 -5.628
45 1HD ARG 6 2HD ARG 6 1.803 10.486 -3.975
46 2HD ARG 6 1HD ARG 6 2.978 10.343 -2.653
47 HE ARG 6 HE ARG 6 2.098 12.824 -3.767
48 1HH1 ARG 6 1HH2 ARG 6 3.570 12.667 -1.191
49 2HH1 ARG 6 2HH2 ARG 6 5.081 13.421 -1.572
50 1HH2 ARG 6 2HH1 ARG 6 4.646 13.155 -5.005
51 2HH2 ARG 6 1HH1 ARG 6 5.695 13.697 -3.737
52 H GLY 7 H GLY 7 6.990 7.942 -7.108
53 1HA GLY 7 2HA GLY 7 9.226 7.346 -6.765
54 2HA GLY 7 1HA GLY 7 9.089 8.077 -5.158
55 H ASP 8 H ASP 8 6.927 5.523 -6.355
56 HA ASP 8 HA ASP 8 8.299 3.618 -4.476
57 1HB ASP 8 2HB ASP 8 5.558 4.791 -4.371
58 2HB ASP 8 1HB ASP 8 5.804 3.161 -3.742
59 H TYR 9 H TYR 9 6.593 3.921 -7.465
60 HA TYR 9 HA TYR 9 5.624 1.164 -7.452
61 1HB TYR 9 2HB TYR 9 5.072 3.520 -8.867
62 2HB TYR 9 1HB TYR 9 5.715 2.413 -10.070
63 HD1 TYR 9 HD1 TYR 9 3.928 1.425 -11.227
64 HD2 TYR 9 HD2 TYR 9 3.718 1.879 -6.971
65 HE1 TYR 9 HE1 TYR 9 1.799 0.149 -11.206
66 HE2 TYR 9 HE2 TYR 9 1.584 0.602 -6.942
67 HH TYR 9 HH TYR 9 -0.268 0.041 -9.605
68 H LEU 10 H LEU 10 6.220 -0.431 -8.917
69 HA LEU 10 HA LEU 10 9.144 -0.448 -9.516
70 1HB LEU 10 2HB LEU 10 7.012 -2.590 -9.305
71 2HB LEU 10 1HB LEU 10 8.704 -2.921 -9.659
72 HG LEU 10 HG LEU 10 8.576 -3.267 -7.342
73 1HD1 LEU 10 1HD1 LEU 10 10.268 -1.445 -8.119
74 2HD1 LEU 10 2HD1 LEU 10 9.973 -1.644 -6.392
75 3HD1 LEU 10 3HD1 LEU 10 9.201 -0.325 -7.271
76 1HD2 LEU 10 1HD2 LEU 10 6.932 -2.441 -6.028
77 2HD2 LEU 10 2HD2 LEU 10 6.243 -1.776 -7.508
78 3HD2 LEU 10 3HD2 LEU 10 7.283 -0.777 -6.493
79 H ASP 11 H ASP 11 7.157 -2.661 -11.227
80 HA ASP 11 HA ASP 11 7.346 -1.016 -13.727
81 1HB ASP 11 2HB ASP 11 9.073 -2.955 -13.225
82 2HB ASP 11 1HB ASP 11 7.737 -3.998 -13.714
83 H CYS 12 H CYS 12 5.179 -2.089 -11.656
84 HA CYS 12 HA CYS 12 3.385 -3.462 -13.600
85 1HB CYS 12 2HB CYS 12 2.082 -3.968 -11.563
86 2HB CYS 12 1HB CYS 12 3.771 -4.417 -11.338
87 1HN NH2 13 1HT CYS 12 4.093 -0.364 -13.305
88 2HN NH2 13 2HT CYS 12 2.560 0.364 -13.328
Start of MODEL 2
1 1H ACE 1 1HA ACE 1 4.018 -1.895 -17.240
2 2H ACE 1 2HA ACE 1 5.778 -1.851 -17.327
3 3H ACE 1 3HA ACE 1 4.863 -0.347 -17.216
4 H CYS 2 H CYS 2 3.109 -2.092 -15.241
5 HA CYS 2 HA CYS 2 2.935 -2.254 -12.895
6 1HB CYS 2 2HB CYS 2 5.860 -2.818 -13.443
7 2HB CYS 2 1HB CYS 2 5.149 -2.994 -11.839
8 H ARG 3 H ARG 3 2.408 -0.255 -12.056
9 HA ARG 3 HA ARG 3 4.622 1.452 -11.068
10 1HB ARG 3 2HB ARG 3 3.467 3.447 -12.137
11 2HB ARG 3 1HB ARG 3 4.218 2.334 -13.276
12 1HG ARG 3 2HG ARG 3 2.219 1.685 -14.156
13 2HG ARG 3 1HG ARG 3 1.402 1.725 -12.593
14 1HD ARG 3 2HD ARG 3 2.264 4.331 -13.808
15 2HD ARG 3 1HD ARG 3 0.805 3.538 -14.435
16 HE ARG 3 HE ARG 3 0.782 3.502 -11.557
17 1HH1 ARG 3 2HH1 ARG 3 1.515 6.366 -12.154
18 2HH1 ARG 3 1HH1 ARG 3 -0.044 7.107 -12.295
19 1HH2 ARG 3 1HH2 ARG 3 -1.735 4.102 -12.661
20 2HH2 ARG 3 2HH2 ARG 3 -1.883 5.825 -12.582
21 H VAL 4 H VAL 4 4.094 2.079 -8.993
22 HA VAL 4 HA VAL 4 1.232 1.938 -8.176
23 HB VAL 4 HB VAL 4 2.646 2.134 -5.863
24 1HG1 VAL 4 1HG1 VAL 4 1.075 0.412 -6.070
25 2HG1 VAL 4 2HG1 VAL 4 2.602 -0.463 -5.969
26 3HG1 VAL 4 3HG1 VAL 4 1.826 -0.222 -7.535
27 1HG2 VAL 4 1HG2 VAL 4 4.663 0.797 -6.015
28 2HG2 VAL 4 2HG2 VAL 4 4.795 2.143 -7.145
29 3HG2 VAL 4 3HG2 VAL 4 4.399 0.532 -7.738
30 H VAL 5 H VAL 5 3.577 3.696 -6.307
31 HA VAL 5 HA VAL 5 2.161 6.209 -7.025
32 HB VAL 5 HB VAL 5 3.070 6.742 -4.583
33 1HG1 VAL 5 1HG1 VAL 5 0.888 6.026 -3.729
34 2HG1 VAL 5 2HG1 VAL 5 0.683 4.966 -5.124
35 3HG1 VAL 5 3HG1 VAL 5 0.714 6.716 -5.344
36 1HG2 VAL 5 1HG2 VAL 5 2.432 3.873 -4.104
37 2HG2 VAL 5 2HG2 VAL 5 3.463 4.964 -3.178
38 3HG2 VAL 5 3HG2 VAL 5 4.053 4.244 -4.669
39 H ARG 6 H ARG 6 3.696 8.176 -6.166
40 HA ARG 6 HA ARG 6 6.005 8.107 -7.921
41 1HB ARG 6 2HB ARG 6 4.998 10.095 -5.877
42 2HB ARG 6 1HB ARG 6 6.283 10.432 -7.035
43 1HG ARG 6 2HG ARG 6 4.812 10.270 -8.885
44 2HG ARG 6 1HG ARG 6 3.566 9.466 -7.929
45 1HD ARG 6 2HD ARG 6 3.554 11.662 -6.511
46 2HD ARG 6 1HD ARG 6 4.352 12.380 -7.925
47 HE ARG 6 HE ARG 6 2.360 11.232 -9.213
48 1HH1 ARG 6 2HH1 ARG 6 1.722 13.975 -8.389
49 2HH1 ARG 6 1HH1 ARG 6 0.293 13.781 -7.427
50 1HH2 ARG 6 1HH2 ARG 6 0.745 10.376 -6.963
51 2HH2 ARG 6 2HH2 ARG 6 -0.259 11.746 -6.622
52 H GLY 7 H GLY 7 5.580 7.331 -4.605
53 1HA GLY 7 2HA GLY 7 8.277 8.006 -3.752
54 2HA GLY 7 1HA GLY 7 7.164 6.936 -2.897
55 H ASP 8 H ASP 8 6.740 5.299 -5.369
56 HA ASP 8 HA ASP 8 9.367 4.135 -5.978
57 1HB ASP 8 2HB ASP 8 7.458 3.075 -3.938
58 2HB ASP 8 1HB ASP 8 8.292 1.901 -4.956
59 H TYR 9 H TYR 9 8.424 4.641 -8.185
60 HA TYR 9 HA TYR 9 5.977 3.198 -8.967
61 1HB TYR 9 2HB TYR 9 7.838 5.232 -10.032
62 2HB TYR 9 1HB TYR 9 7.124 4.182 -11.257
63 HD1 TYR 9 HD1 TYR 9 4.497 3.594 -10.528
64 HD2 TYR 9 HD2 TYR 9 6.665 7.208 -9.741
65 HE1 TYR 9 HE1 TYR 9 2.355 4.825 -10.319
66 HE2 TYR 9 HE2 TYR 9 4.522 8.446 -9.538
67 HH TYR 9 HH TYR 9 1.496 6.845 -9.301
68 H LEU 10 H LEU 10 7.054 1.035 -8.374
69 HA LEU 10 HA LEU 10 8.134 -0.149 -10.841
70 1HB LEU 10 2HB LEU 10 9.949 -1.291 -9.504
71 2HB LEU 10 1HB LEU 10 10.169 0.420 -9.818
72 HG LEU 10 HG LEU 10 10.649 -0.501 -7.470
73 1HD1 LEU 10 1HD1 LEU 10 10.831 1.735 -7.347
74 2HD1 LEU 10 2HD1 LEU 10 9.239 1.674 -6.601
75 3HD1 LEU 10 3HD1 LEU 10 9.390 1.997 -8.324
76 1HD2 LEU 10 1HD2 LEU 10 8.780 -0.568 -5.915
77 2HD2 LEU 10 2HD2 LEU 10 8.506 -1.732 -7.210
78 3HD2 LEU 10 3HD2 LEU 10 7.652 -0.193 -7.214
79 H ASP 11 H ASP 11 5.773 -0.303 -8.757
80 HA ASP 11 HA ASP 11 5.874 -3.219 -8.151
81 1HB ASP 11 2HB ASP 11 5.185 -1.157 -6.629
82 2HB ASP 11 1HB ASP 11 3.632 -1.364 -7.436
83 H CYS 12 H CYS 12 3.994 -4.557 -8.749
84 HA CYS 12 HA CYS 12 2.809 -3.711 -11.350
85 1HB CYS 12 2HB CYS 12 3.202 -6.354 -9.923
86 2HB CYS 12 1HB CYS 12 2.317 -6.210 -11.442
87 1HN NH2 13 1HT CYS 12 1.929 -4.243 -8.013
88 2HN NH2 13 2HT CYS 12 0.246 -4.176 -8.226
Start of MODEL 3
1 1H ACE 1 1HA ACE 1 -0.857 -6.372 -11.010
2 2H ACE 1 2HA ACE 1 -0.571 -6.048 -9.300
3 3H ACE 1 3HA ACE 1 0.436 -7.215 -10.158
4 H CYS 2 H CYS 2 -0.001 -4.887 -12.381
5 HA CYS 2 HA CYS 2 2.632 -3.675 -11.821
6 1HB CYS 2 2HB CYS 2 0.662 -3.781 -14.094
7 2HB CYS 2 1HB CYS 2 1.974 -2.603 -14.127
8 H ARG 3 H ARG 3 1.941 -2.385 -9.933
9 HA ARG 3 HA ARG 3 0.221 -0.029 -10.639
10 1HB ARG 3 2HB ARG 3 0.744 -1.672 -8.186
11 2HB ARG 3 1HB ARG 3 0.295 0.021 -7.974
12 1HG ARG 3 2HG ARG 3 -1.283 -1.867 -9.732
13 2HG ARG 3 1HG ARG 3 -1.642 -1.642 -8.019
14 1HD ARG 3 2HD ARG 3 -1.325 0.878 -9.541
15 2HD ARG 3 1HD ARG 3 -2.735 -0.101 -9.993
16 HE ARG 3 HE ARG 3 -2.297 0.189 -7.096
17 1HH1 ARG 3 1HH2 ARG 3 -2.872 2.870 -8.498
18 2HH1 ARG 3 2HH2 ARG 3 -4.592 2.965 -8.310
19 1HH2 ARG 3 2HH1 ARG 3 -4.950 -0.381 -7.472
20 2HH2 ARG 3 1HH1 ARG 3 -5.768 1.124 -7.728
21 H VAL 4 H VAL 4 0.962 2.062 -9.561
22 HA VAL 4 HA VAL 4 3.902 2.083 -9.019
23 HB VAL 4 HB VAL 4 3.012 2.708 -11.448
24 1HG1 VAL 4 1HG1 VAL 4 2.356 4.946 -11.760
25 2HG1 VAL 4 2HG1 VAL 4 2.931 5.430 -10.164
26 3HG1 VAL 4 3HG1 VAL 4 1.461 4.466 -10.317
27 1HG2 VAL 4 1HG2 VAL 4 4.930 4.297 -11.636
28 2HG2 VAL 4 2HG2 VAL 4 5.354 2.827 -10.759
29 3HG2 VAL 4 3HG2 VAL 4 5.043 4.322 -9.876
30 H VAL 5 H VAL 5 4.616 3.976 -7.865
31 HA VAL 5 HA VAL 5 2.505 5.675 -6.622
32 HB VAL 5 HB VAL 5 4.698 4.805 -4.829
33 1HG1 VAL 5 1HG1 VAL 5 3.028 6.126 -3.838
34 2HG1 VAL 5 2HG1 VAL 5 2.570 4.492 -3.358
35 3HG1 VAL 5 3HG1 VAL 5 1.730 5.288 -4.689
36 1HG2 VAL 5 1HG2 VAL 5 2.470 2.866 -5.549
37 2HG2 VAL 5 2HG2 VAL 5 3.709 2.621 -4.318
38 3HG2 VAL 5 3HG2 VAL 5 4.156 2.663 -6.022
39 H ARG 6 H ARG 6 3.422 7.776 -6.006
40 HA ARG 6 HA ARG 6 5.731 8.510 -7.625
41 1HB ARG 6 2HB ARG 6 5.278 10.766 -6.642
42 2HB ARG 6 1HB ARG 6 3.835 10.026 -7.337
43 1HG ARG 6 2HG ARG 6 2.796 9.962 -5.339
44 2HG ARG 6 1HG ARG 6 4.207 9.252 -4.554
45 1HD ARG 6 2HD ARG 6 3.732 11.469 -3.574
46 2HD ARG 6 1HD ARG 6 5.261 11.528 -4.475
47 HE ARG 6 HE ARG 6 3.528 12.214 -6.432
48 1HH1 ARG 6 2HH1 ARG 6 5.099 14.315 -4.905
49 2HH1 ARG 6 1HH1 ARG 6 3.837 15.388 -4.402
50 1HH2 ARG 6 1HH2 ARG 6 1.292 13.117 -5.023
51 2HH2 ARG 6 2HH2 ARG 6 1.683 14.711 -4.469
52 H GLY 7 H GLY 7 7.220 7.008 -6.594
53 1HA GLY 7 2HA GLY 7 9.270 7.827 -5.126
54 2HA GLY 7 1HA GLY 7 8.085 7.603 -3.830
55 H ASP 8 H ASP 8 6.717 5.423 -5.142
56 HA ASP 8 HA ASP 8 8.790 3.258 -4.928
57 1HB ASP 8 2HB ASP 8 5.979 3.597 -3.886
58 2HB ASP 8 1HB ASP 8 6.577 1.973 -4.220
59 H TYR 9 H TYR 9 8.764 4.036 -7.377
60 HA TYR 9 HA TYR 9 6.457 3.285 -8.971
61 1HB TYR 9 2HB TYR 9 9.347 3.765 -9.765
62 2HB TYR 9 1HB TYR 9 7.954 3.852 -10.833
63 HD1 TYR 9 HD1 TYR 9 6.296 5.697 -10.585
64 HD2 TYR 9 HD2 TYR 9 9.922 5.582 -8.283
65 HE1 TYR 9 HE1 TYR 9 6.019 8.095 -10.025
66 HE2 TYR 9 HE2 TYR 9 9.642 7.979 -7.716
67 HH TYR 9 HH TYR 9 8.179 10.039 -9.158
68 H LEU 10 H LEU 10 6.450 1.012 -7.890
69 HA LEU 10 HA LEU 10 8.422 -0.864 -9.095
70 1HB LEU 10 2HB LEU 10 6.305 -0.972 -6.927
71 2HB LEU 10 1HB LEU 10 7.078 -2.438 -7.520
72 HG LEU 10 HG LEU 10 8.276 -1.727 -5.556
73 1HD1 LEU 10 1HD1 LEU 10 10.460 -1.698 -6.395
74 2HD1 LEU 10 2HD1 LEU 10 10.021 -0.690 -7.774
75 3HD1 LEU 10 3HD1 LEU 10 9.546 -2.389 -7.737
76 1HD2 LEU 10 1HD2 LEU 10 8.792 0.944 -6.878
77 2HD2 LEU 10 2HD2 LEU 10 9.112 0.480 -5.208
78 3HD2 LEU 10 3HD2 LEU 10 7.451 0.685 -5.763
79 H ASP 11 H ASP 11 6.508 0.472 -10.812
80 HA ASP 11 HA ASP 11 4.239 -1.326 -11.270
81 1HB ASP 11 2HB ASP 11 3.779 0.317 -13.076
82 2HB ASP 11 1HB ASP 11 4.140 1.127 -11.553
83 H CYS 12 H CYS 12 6.174 -3.029 -11.448
84 HA CYS 12 HA CYS 12 7.638 -4.330 -12.806
85 1HB CYS 12 2HB CYS 12 6.195 -5.515 -14.399
86 2HB CYS 12 1HB CYS 12 5.323 -5.198 -12.902
87 1HN NH2 13 1HT CYS 12 8.290 -1.610 -13.474
88 2HN NH2 13 2HT CYS 12 8.632 -1.562 -15.135
Start of MODEL 4
1 1H ACE 1 1HA ACE 1 1.634 -2.923 -16.559
2 2H ACE 1 2HA ACE 1 2.386 -1.502 -17.288
3 3H ACE 1 3HA ACE 1 0.777 -1.381 -16.575
4 H CYS 2 H CYS 2 2.199 -3.347 -14.461
5 HA CYS 2 HA CYS 2 3.115 -3.023 -12.304
6 1HB CYS 2 2HB CYS 2 4.763 -1.824 -14.245
7 2HB CYS 2 1HB CYS 2 4.612 -0.609 -12.976
8 H ARG 3 H ARG 3 3.522 -0.986 -10.668
9 HA ARG 3 HA ARG 3 0.950 0.522 -10.724
10 1HB ARG 3 2HB ARG 3 2.880 -0.492 -8.701
11 2HB ARG 3 1HB ARG 3 2.079 1.033 -8.311
12 1HG ARG 3 2HG ARG 3 -0.062 0.076 -8.383
13 2HG ARG 3 1HG ARG 3 0.488 -1.311 -9.326
14 1HD ARG 3 2HD ARG 3 1.981 -1.833 -7.243
15 2HD ARG 3 1HD ARG 3 0.839 -0.778 -6.384
16 HE ARG 3 HE ARG 3 0.106 -3.293 -7.804
17 1HH1 ARG 3 2HH1 ARG 3 -1.729 -0.712 -7.495
18 2HH1 ARG 3 1HH1 ARG 3 -2.766 -1.277 -6.228
19 1HH2 ARG 3 1HH2 ARG 3 -0.749 -3.984 -5.431
20 2HH2 ARG 3 2HH2 ARG 3 -2.210 -3.132 -5.058
21 H VAL 4 H VAL 4 1.223 2.855 -9.758
22 HA VAL 4 HA VAL 4 3.785 4.057 -10.703
23 HB VAL 4 HB VAL 4 2.102 4.123 -12.516
24 1HG1 VAL 4 1HG1 VAL 4 0.248 4.373 -10.556
25 2HG1 VAL 4 2HG1 VAL 4 -0.052 4.849 -12.227
26 3HG1 VAL 4 3HG1 VAL 4 0.411 6.062 -11.034
27 1HG2 VAL 4 1HG2 VAL 4 2.217 6.938 -11.490
28 2HG2 VAL 4 2HG2 VAL 4 2.563 6.325 -13.108
29 3HG2 VAL 4 3HG2 VAL 4 3.736 6.101 -11.810
30 H VAL 5 H VAL 5 3.509 3.827 -8.042
31 HA VAL 5 HA VAL 5 2.169 6.225 -6.963
32 HB VAL 5 HB VAL 5 3.241 5.204 -4.821
33 1HG1 VAL 5 1HG1 VAL 5 1.404 3.605 -4.623
34 2HG1 VAL 5 2HG1 VAL 5 1.191 3.618 -6.374
35 3HG1 VAL 5 3HG1 VAL 5 0.855 5.071 -5.435
36 1HG2 VAL 5 1HG2 VAL 5 3.281 2.614 -6.292
37 2HG2 VAL 5 2HG2 VAL 5 4.199 3.111 -4.874
38 3HG2 VAL 5 3HG2 VAL 5 4.685 3.663 -6.476
39 H ARG 6 H ARG 6 3.335 8.066 -6.450
40 HA ARG 6 HA ARG 6 5.973 8.366 -7.582
41 1HB ARG 6 2HB ARG 6 5.746 10.654 -6.471
42 2HB ARG 6 1HB ARG 6 4.450 10.213 -7.581
43 1HG ARG 6 2HG ARG 6 3.767 9.235 -4.970
44 2HG ARG 6 1HG ARG 6 4.233 10.932 -4.825
45 1HD ARG 6 2HD ARG 6 2.635 11.560 -6.579
46 2HD ARG 6 1HD ARG 6 2.200 9.856 -6.818
47 HE ARG 6 HE ARG 6 1.958 10.714 -4.037
48 1HH1 ARG 6 2HH1 ARG 6 0.270 12.512 -5.902
49 2HH1 ARG 6 1HH1 ARG 6 -1.258 11.703 -5.814
50 1HH2 ARG 6 1HH2 ARG 6 0.057 8.804 -4.438
51 2HH2 ARG 6 2HH2 ARG 6 -1.380 9.603 -4.986
52 H GLY 7 H GLY 7 7.685 7.463 -6.679
53 1HA GLY 7 2HA GLY 7 9.305 7.992 -4.745
54 2HA GLY 7 1HA GLY 7 7.983 7.423 -3.712
55 H ASP 8 H ASP 8 7.056 5.282 -5.327
56 HA ASP 8 HA ASP 8 9.324 3.513 -5.918
57 1HB ASP 8 2HB ASP 8 7.791 3.498 -3.350
58 2HB ASP 8 1HB ASP 8 8.233 1.933 -4.037
59 H TYR 9 H TYR 9 8.167 3.330 -7.944
60 HA TYR 9 HA TYR 9 5.695 1.627 -7.761
61 1HB TYR 9 2HB TYR 9 4.743 2.991 -9.539
62 2HB TYR 9 1HB TYR 9 5.270 4.041 -8.231
63 HD1 TYR 9 HD1 TYR 9 5.733 3.132 -11.706
64 HD2 TYR 9 HD2 TYR 9 7.442 5.284 -8.409
65 HE1 TYR 9 HE1 TYR 9 7.210 4.358 -13.274
66 HE2 TYR 9 HE2 TYR 9 8.924 6.514 -9.980
67 HH TYR 9 HH TYR 9 8.428 6.700 -13.198
68 H LEU 10 H LEU 10 8.711 1.204 -8.478
69 HA LEU 10 HA LEU 10 8.213 -0.125 -11.119
70 1HB LEU 10 2HB LEU 10 10.379 1.557 -10.034
71 2HB LEU 10 1HB LEU 10 10.950 0.095 -10.841
72 HG LEU 10 HG LEU 10 8.979 2.054 -12.052
73 1HD1 LEU 10 1HD1 LEU 10 10.888 2.694 -13.520
74 2HD1 LEU 10 2HD1 LEU 10 11.951 1.688 -12.535
75 3HD1 LEU 10 3HD1 LEU 10 11.176 3.106 -11.829
76 1HD2 LEU 10 1HD2 LEU 10 10.581 0.085 -13.629
77 2HD2 LEU 10 2HD2 LEU 10 8.954 0.701 -13.923
78 3HD2 LEU 10 3HD2 LEU 10 9.219 -0.538 -12.697
79 H ASP 11 H ASP 11 7.343 -1.741 -9.303
80 HA ASP 11 HA ASP 11 9.618 -3.545 -8.525
81 1HB ASP 11 2HB ASP 11 8.471 -2.370 -6.646
82 2HB ASP 11 1HB ASP 11 6.941 -3.081 -7.161
83 H CYS 12 H CYS 12 6.197 -3.377 -9.516
84 HA CYS 12 HA CYS 12 4.826 -4.963 -10.598
85 1HB CYS 12 2HB CYS 12 7.593 -5.170 -11.667
86 2HB CYS 12 1HB CYS 12 6.504 -6.495 -12.083
87 1HN NH2 13 1HT CYS 12 4.600 -5.962 -8.253
88 2HN NH2 13 2HT CYS 12 5.123 -7.566 -8.068
Start of MODEL 5
1 1H ACE 1 1HA ACE 1 3.016 -6.151 -7.241
2 2H ACE 1 2HA ACE 1 2.846 -6.674 -5.563
3 3H ACE 1 3HA ACE 1 4.005 -5.411 -5.983
4 H CYS 2 H CYS 2 2.576 -3.719 -7.558
5 HA CYS 2 HA CYS 2 1.062 -1.916 -7.420
6 1HB CYS 2 2HB CYS 2 -0.422 -4.377 -6.538
7 2HB CYS 2 1HB CYS 2 -1.237 -2.815 -6.478
8 H ARG 3 H ARG 3 2.684 -1.198 -5.611
9 HA ARG 3 HA ARG 3 1.374 -1.184 -2.932
10 1HB ARG 3 2HB ARG 3 3.742 -2.006 -3.267
11 2HB ARG 3 1HB ARG 3 4.171 -0.359 -3.721
12 1HG ARG 3 2HG ARG 3 3.689 0.488 -1.566
13 2HG ARG 3 1HG ARG 3 2.794 -0.964 -1.109
14 1HD ARG 3 2HD ARG 3 4.766 -2.253 -0.871
15 2HD ARG 3 1HD ARG 3 5.733 -1.104 -1.818
16 HE ARG 3 HE ARG 3 4.552 0.147 0.522
17 1HH1 ARG 3 1HH2 ARG 3 6.503 -2.530 0.491
18 2HH1 ARG 3 2HH2 ARG 3 7.871 -1.786 1.248
19 1HH2 ARG 3 2HH1 ARG 3 6.586 1.426 1.014
20 2HH2 ARG 3 1HH1 ARG 3 7.918 0.453 1.544
21 H VAL 4 H VAL 4 3.349 1.058 -4.827
22 HA VAL 4 HA VAL 4 1.331 3.191 -4.398
23 HB VAL 4 HB VAL 4 3.161 2.936 -2.551
24 1HG1 VAL 4 1HG1 VAL 4 5.053 2.794 -4.165
25 2HG1 VAL 4 2HG1 VAL 4 5.244 4.101 -2.997
26 3HG1 VAL 4 3HG1 VAL 4 4.734 4.461 -4.643
27 1HG2 VAL 4 1HG2 VAL 4 2.511 5.013 -1.962
28 2HG2 VAL 4 2HG2 VAL 4 1.658 5.078 -3.504
29 3HG2 VAL 4 3HG2 VAL 4 3.289 5.735 -3.370
30 H VAL 5 H VAL 5 3.003 5.326 -5.365
31 HA VAL 5 HA VAL 5 3.790 4.408 -8.082
32 HB VAL 5 HB VAL 5 1.921 6.661 -7.311
33 1HG1 VAL 5 1HG1 VAL 5 3.116 5.891 -9.988
34 2HG1 VAL 5 2HG1 VAL 5 3.252 7.443 -9.161
35 3HG1 VAL 5 3HG1 VAL 5 1.699 6.929 -9.821
36 1HG2 VAL 5 1HG2 VAL 5 0.691 4.643 -7.306
37 2HG2 VAL 5 2HG2 VAL 5 1.591 3.989 -8.673
38 3HG2 VAL 5 3HG2 VAL 5 0.427 5.288 -8.926
39 H ARG 6 H ARG 6 3.471 7.579 -6.559
40 HA ARG 6 HA ARG 6 6.077 8.438 -7.538
41 1HB ARG 6 2HB ARG 6 5.478 10.513 -6.304
42 2HB ARG 6 1HB ARG 6 4.162 9.955 -7.334
43 1HG ARG 6 2HG ARG 6 3.614 8.626 -5.002
44 2HG ARG 6 1HG ARG 6 4.307 10.128 -4.392
45 1HD ARG 6 2HD ARG 6 2.695 11.454 -5.638
46 2HD ARG 6 1HD ARG 6 2.068 10.002 -6.444
47 HE ARG 6 HE ARG 6 1.728 9.268 -3.885
48 1HH1 ARG 6 1HH2 ARG 6 -0.675 10.296 -5.222
49 2HH1 ARG 6 2HH2 ARG 6 -1.123 11.654 -4.245
50 1HH2 ARG 6 2HH1 ARG 6 1.971 11.898 -2.698
51 2HH2 ARG 6 1HH1 ARG 6 0.376 12.561 -2.816
52 H GLY 7 H GLY 7 7.924 7.913 -6.612
53 1HA GLY 7 2HA GLY 7 9.452 8.018 -4.695
54 2HA GLY 7 1HA GLY 7 8.077 7.639 -3.645
55 H ASP 8 H ASP 8 6.983 5.648 -5.478
56 HA ASP 8 HA ASP 8 9.021 3.551 -5.757
57 1HB ASP 8 2HB ASP 8 7.017 3.720 -3.552
58 2HB ASP 8 1HB ASP 8 7.292 2.128 -4.261
59 H TYR 9 H TYR 9 8.315 3.710 -7.962
60 HA TYR 9 HA TYR 9 5.496 3.335 -8.687
61 1HB TYR 9 2HB TYR 9 8.129 3.509 -10.181
62 2HB TYR 9 1HB TYR 9 6.585 3.297 -11.002
63 HD1 TYR 9 HD1 TYR 9 8.730 5.613 -9.148
64 HD2 TYR 9 HD2 TYR 9 4.853 5.062 -10.912
65 HE1 TYR 9 HE1 TYR 9 8.323 8.055 -9.015
66 HE2 TYR 9 HE2 TYR 9 4.446 7.506 -10.778
67 HH TYR 9 HH TYR 9 5.834 9.599 -10.671
68 H LEU 10 H LEU 10 5.074 1.180 -7.791
69 HA LEU 10 HA LEU 10 6.378 -1.063 -9.319
70 1HB LEU 10 2HB LEU 10 5.223 -0.887 -6.522
71 2HB LEU 10 1HB LEU 10 5.712 -2.404 -7.263
72 HG LEU 10 HG LEU 10 7.548 -1.709 -5.910
73 1HD1 LEU 10 1HD1 LEU 10 8.360 -0.644 -8.607
74 2HD1 LEU 10 2HD1 LEU 10 7.987 -2.354 -8.381
75 3HD1 LEU 10 3HD1 LEU 10 9.302 -1.608 -7.471
76 1HD2 LEU 10 1HD2 LEU 10 8.002 0.908 -7.196
77 2HD2 LEU 10 2HD2 LEU 10 8.118 0.451 -5.498
78 3HD2 LEU 10 3HD2 LEU 10 6.546 0.821 -6.205
79 H ASP 11 H ASP 11 4.568 -0.469 -10.931
80 HA ASP 11 HA ASP 11 1.811 -1.071 -10.048
81 1HB ASP 11 2HB ASP 11 2.697 0.754 -11.691
82 2HB ASP 11 1HB ASP 11 2.741 -0.559 -12.869
83 H CYS 12 H CYS 12 0.552 -2.781 -10.958
84 HA CYS 12 HA CYS 12 2.078 -5.213 -11.553
85 1HB CYS 12 2HB CYS 12 -0.897 -4.618 -11.382
86 2HB CYS 12 1HB CYS 12 -0.185 -6.229 -11.427
87 1HN NH2 13 1HT CYS 12 0.660 -2.687 -13.437
88 2HN NH2 13 2HT CYS 12 0.624 -3.507 -14.924
Start of MODEL 6
1 1H ACE 1 1HA ACE 1 -5.384 -4.006 -12.692
2 2H ACE 1 2HA ACE 1 -4.310 -4.860 -13.801
3 3H ACE 1 3HA ACE 1 -4.719 -3.170 -14.096
4 H CYS 2 H CYS 2 -2.319 -2.880 -14.118
5 HA CYS 2 HA CYS 2 -0.895 -3.180 -11.556
6 1HB CYS 2 2HB CYS 2 -0.306 -2.949 -14.346
7 2HB CYS 2 1HB CYS 2 0.509 -1.621 -13.521
8 H ARG 3 H ARG 3 0.018 -1.341 -10.398
9 HA ARG 3 HA ARG 3 -1.218 1.315 -11.022
10 1HB ARG 3 2HB ARG 3 -1.483 -0.456 -8.639
11 2HB ARG 3 1HB ARG 3 -1.287 1.267 -8.311
12 1HG ARG 3 2HG ARG 3 -3.180 1.795 -9.771
13 2HG ARG 3 1HG ARG 3 -3.353 0.092 -10.198
14 1HD ARG 3 2HD ARG 3 -3.398 0.777 -7.285
15 2HD ARG 3 1HD ARG 3 -4.832 1.178 -8.248
16 HE ARG 3 HE ARG 3 -3.666 -1.568 -8.023
17 1HH1 ARG 3 1HH2 ARG 3 -5.189 -1.236 -10.529
18 2HH1 ARG 3 2HH2 ARG 3 -6.804 -1.647 -10.060
19 1HH2 ARG 3 2HH1 ARG 3 -6.193 -1.308 -6.666
20 2HH2 ARG 3 1HH1 ARG 3 -7.373 -1.688 -7.876
21 H VAL 4 H VAL 4 -0.005 3.103 -9.803
22 HA VAL 4 HA VAL 4 2.782 2.282 -9.119
23 HB VAL 4 HB VAL 4 2.395 2.975 -11.553
24 1HG1 VAL 4 1HG1 VAL 4 2.255 5.733 -10.311
25 2HG1 VAL 4 2HG1 VAL 4 0.852 4.872 -10.942
26 3HG1 VAL 4 3HG1 VAL 4 2.165 5.331 -12.027
27 1HG2 VAL 4 1HG2 VAL 4 4.336 4.722 -10.029
28 2HG2 VAL 4 2HG2 VAL 4 4.519 4.066 -11.656
29 3HG2 VAL 4 3HG2 VAL 4 4.593 2.992 -10.257
30 H VAL 5 H VAL 5 3.938 3.782 -7.814
31 HA VAL 5 HA VAL 5 2.286 5.947 -6.556
32 HB VAL 5 HB VAL 5 4.329 4.953 -4.781
33 1HG1 VAL 5 1HG1 VAL 5 2.188 6.086 -4.193
34 2HG1 VAL 5 2HG1 VAL 5 2.439 4.582 -3.306
35 3HG1 VAL 5 3HG1 VAL 5 1.320 4.625 -4.668
36 1HG2 VAL 5 1HG2 VAL 5 3.691 2.639 -4.493
37 2HG2 VAL 5 2HG2 VAL 5 4.110 2.853 -6.188
38 3HG2 VAL 5 3HG2 VAL 5 2.419 2.780 -5.704
39 H ARG 6 H ARG 6 3.469 7.903 -6.118
40 HA ARG 6 HA ARG 6 5.954 8.186 -7.675
41 1HB ARG 6 2HB ARG 6 5.714 10.595 -6.922
42 2HB ARG 6 1HB ARG 6 4.339 9.963 -7.822
43 1HG ARG 6 2HG ARG 6 2.968 9.900 -5.946
44 2HG ARG 6 1HG ARG 6 4.326 9.766 -4.827
45 1HD ARG 6 2HD ARG 6 4.968 12.119 -5.354
46 2HD ARG 6 1HD ARG 6 3.541 12.246 -6.403
47 HE ARG 6 HE ARG 6 3.371 11.655 -3.470
48 1HH1 ARG 6 1HH2 ARG 6 2.879 14.448 -4.542
49 2HH1 ARG 6 2HH2 ARG 6 1.152 14.470 -4.665
50 1HH2 ARG 6 2HH1 ARG 6 0.830 11.023 -4.442
51 2HH2 ARG 6 1HH1 ARG 6 -0.009 12.529 -4.608
52 H GLY 7 H GLY 7 7.580 7.159 -6.664
53 1HA GLY 7 2HA GLY 7 9.383 7.929 -4.945
54 2HA GLY 7 1HA GLY 7 8.083 7.663 -3.772
55 H ASP 8 H ASP 8 7.044 5.448 -5.565
56 HA ASP 8 HA ASP 8 9.122 3.342 -5.304
57 1HB ASP 8 2HB ASP 8 6.440 3.451 -3.883
58 2HB ASP 8 1HB ASP 8 7.326 1.944 -4.114
59 H TYR 9 H TYR 9 8.914 3.491 -7.672
60 HA TYR 9 HA TYR 9 6.314 3.035 -8.941
61 1HB TYR 9 2HB TYR 9 9.187 3.315 -9.813
62 2HB TYR 9 1HB TYR 9 7.926 2.886 -10.970
63 HD1 TYR 9 HD1 TYR 9 6.417 4.513 -11.805
64 HD2 TYR 9 HD2 TYR 9 8.918 5.431 -8.438
65 HE1 TYR 9 HE1 TYR 9 5.711 6.888 -11.930
66 HE2 TYR 9 HE2 TYR 9 8.218 7.809 -8.565
67 HH TYR 9 HH TYR 9 6.870 9.192 -11.147
68 H LEU 10 H LEU 10 5.427 1.053 -9.005
69 HA LEU 10 HA LEU 10 7.085 -1.302 -9.754
70 1HB LEU 10 2HB LEU 10 5.910 -2.565 -7.923
71 2HB LEU 10 1HB LEU 10 6.926 -1.266 -7.307
72 HG LEU 10 HG LEU 10 4.389 -0.113 -7.821
73 1HD1 LEU 10 1HD1 LEU 10 3.997 -2.424 -5.951
74 2HD1 LEU 10 2HD1 LEU 10 3.796 -2.683 -7.684
75 3HD1 LEU 10 3HD1 LEU 10 2.795 -1.495 -6.847
76 1HD2 LEU 10 1HD2 LEU 10 5.054 -0.900 -5.039
77 2HD2 LEU 10 2HD2 LEU 10 4.704 0.696 -5.705
78 3HD2 LEU 10 3HD2 LEU 10 6.311 -0.004 -5.890
79 H ASP 11 H ASP 11 5.397 0.213 -11.427
80 HA ASP 11 HA ASP 11 2.784 -1.211 -11.555
81 1HB ASP 11 2HB ASP 11 2.276 0.588 -13.188
82 2HB ASP 11 1HB ASP 11 2.852 1.237 -11.653
83 H CYS 12 H CYS 12 4.010 -3.235 -12.278
84 HA CYS 12 HA CYS 12 4.667 -4.715 -13.998
85 1HB CYS 12 2HB CYS 12 2.801 -2.714 -15.273
86 2HB CYS 12 1HB CYS 12 3.417 -4.098 -16.174
87 1HN NH2 13 1HT CYS 12 6.649 -2.607 -13.515
88 2HN NH2 13 2HT CYS 12 7.399 -2.258 -14.997
Start of MODEL 7
1 1H ACE 1 1HA ACE 1 1.068 -6.518 -10.904
2 2H ACE 1 2HA ACE 1 0.132 -6.518 -12.398
3 3H ACE 1 3HA ACE 1 -0.367 -5.503 -11.045
4 H CYS 2 H CYS 2 -0.252 -3.653 -12.510
5 HA CYS 2 HA CYS 2 2.552 -2.642 -12.798
6 1HB CYS 2 2HB CYS 2 0.400 -3.028 -14.850
7 2HB CYS 2 1HB CYS 2 1.481 -1.645 -15.023
8 H ARG 3 H ARG 3 2.366 -1.071 -11.185
9 HA ARG 3 HA ARG 3 0.344 1.083 -11.678
10 1HB ARG 3 2HB ARG 3 0.793 -0.665 -9.327
11 2HB ARG 3 1HB ARG 3 0.601 1.050 -8.957
12 1HG ARG 3 2HG ARG 3 -1.548 1.141 -9.941
13 2HG ARG 3 1HG ARG 3 -1.306 -0.374 -10.811
14 1HD ARG 3 2HD ARG 3 -1.635 -1.682 -8.888
15 2HD ARG 3 1HD ARG 3 -1.245 -0.340 -7.795
16 HE ARG 3 HE ARG 3 -3.592 0.091 -9.523
17 1HH1 ARG 3 2HH1 ARG 3 -3.180 -2.077 -7.086
18 2HH1 ARG 3 1HH1 ARG 3 -4.262 -1.333 -5.958
19 1HH2 ARG 3 1HH2 ARG 3 -4.619 1.575 -7.815
20 2HH2 ARG 3 2HH2 ARG 3 -5.077 0.736 -6.370
21 H VAL 4 H VAL 4 1.054 3.130 -10.392
22 HA VAL 4 HA VAL 4 4.005 3.211 -10.009
23 HB VAL 4 HB VAL 4 2.394 4.475 -12.154
24 1HG1 VAL 4 1HG1 VAL 4 2.881 6.566 -11.249
25 2HG1 VAL 4 2HG1 VAL 4 4.341 6.278 -12.197
26 3HG1 VAL 4 3HG1 VAL 4 4.351 5.994 -10.461
27 1HG2 VAL 4 1HG2 VAL 4 4.747 2.905 -11.828
28 2HG2 VAL 4 2HG2 VAL 4 5.243 4.439 -12.539
29 3HG2 VAL 4 3HG2 VAL 4 4.019 3.451 -13.338
30 H VAL 5 H VAL 5 3.919 3.706 -7.898
31 HA VAL 5 HA VAL 5 2.268 5.966 -6.930
32 HB VAL 5 HB VAL 5 3.307 5.050 -4.705
33 1HG1 VAL 5 1HG1 VAL 5 1.491 3.319 -6.399
34 2HG1 VAL 5 2HG1 VAL 5 0.973 4.649 -5.360
35 3HG1 VAL 5 3HG1 VAL 5 1.666 3.190 -4.651
36 1HG2 VAL 5 1HG2 VAL 5 3.583 2.390 -5.835
37 2HG2 VAL 5 2HG2 VAL 5 4.686 3.256 -4.775
38 3HG2 VAL 5 3HG2 VAL 5 4.782 3.481 -6.514
39 H ARG 6 H ARG 6 3.325 7.946 -6.303
40 HA ARG 6 HA ARG 6 5.876 8.413 -7.572
41 1HB ARG 6 2HB ARG 6 4.278 10.110 -5.624
42 2HB ARG 6 1HB ARG 6 5.562 10.692 -6.684
43 1HG ARG 6 2HG ARG 6 4.235 9.862 -8.652
44 2HG ARG 6 1HG ARG 6 2.919 9.478 -7.542
45 1HD ARG 6 2HD ARG 6 2.507 11.684 -8.528
46 2HD ARG 6 1HD ARG 6 2.919 11.902 -6.816
47 HE ARG 6 HE ARG 6 5.171 12.584 -7.499
48 1HH1 ARG 6 1HH2 ARG 6 3.064 14.107 -9.252
49 2HH1 ARG 6 2HH2 ARG 6 3.887 14.087 -10.775
50 1HH2 ARG 6 2HH1 ARG 6 6.182 11.675 -9.811
51 2HH2 ARG 6 1HH1 ARG 6 5.649 12.715 -11.090
52 H GLY 7 H GLY 7 7.542 7.307 -6.715
53 1HA GLY 7 2HA GLY 7 9.415 7.947 -5.072
54 2HA GLY 7 1HA GLY 7 8.197 7.648 -3.822
55 H ASP 8 H ASP 8 6.909 5.503 -5.140
56 HA ASP 8 HA ASP 8 9.002 3.347 -5.227
57 1HB ASP 8 2HB ASP 8 6.562 3.681 -3.512
58 2HB ASP 8 1HB ASP 8 7.006 2.051 -4.014
59 H TYR 9 H TYR 9 7.922 4.415 -7.573
60 HA TYR 9 HA TYR 9 5.550 2.793 -8.290
61 1HB TYR 9 2HB TYR 9 6.225 4.033 -10.605
62 2HB TYR 9 1HB TYR 9 5.259 4.778 -9.346
63 HD1 TYR 9 HD1 TYR 9 8.959 4.131 -9.455
64 HD2 TYR 9 HD2 TYR 9 5.797 7.040 -9.387
65 HE1 TYR 9 HE1 TYR 9 10.630 5.944 -9.188
66 HE2 TYR 9 HE2 TYR 9 7.468 8.851 -9.122
67 HH TYR 9 HH TYR 9 10.438 8.733 -9.859
68 H LEU 10 H LEU 10 6.160 0.674 -8.520
69 HA LEU 10 HA LEU 10 8.325 0.022 -10.488
70 1HB LEU 10 2HB LEU 10 6.989 -1.408 -8.177
71 2HB LEU 10 1HB LEU 10 7.935 -2.295 -9.372
72 HG LEU 10 HG LEU 10 9.788 -0.538 -8.893
73 1HD1 LEU 10 1HD1 LEU 10 7.900 -0.153 -6.563
74 2HD1 LEU 10 2HD1 LEU 10 8.599 1.080 -7.611
75 3HD1 LEU 10 3HD1 LEU 10 9.617 0.230 -6.449
76 1HD2 LEU 10 1HD2 LEU 10 10.640 -1.901 -7.047
77 2HD2 LEU 10 2HD2 LEU 10 9.837 -2.945 -8.221
78 3HD2 LEU 10 3HD2 LEU 10 9.018 -2.514 -6.720
79 H ASP 11 H ASP 11 6.650 0.700 -12.163
80 HA ASP 11 HA ASP 11 4.269 -1.032 -12.418
81 1HB ASP 11 2HB ASP 11 4.176 1.385 -12.850
82 2HB ASP 11 1HB ASP 11 5.412 1.232 -14.093
83 H CYS 12 H CYS 12 4.472 -2.968 -13.418
84 HA CYS 12 HA CYS 12 5.204 -4.636 -14.906
85 1HB CYS 12 2HB CYS 12 6.086 -2.265 -16.584
86 2HB CYS 12 1HB CYS 12 5.611 -3.859 -17.160
87 1HN NH2 13 1HT CYS 12 7.109 -3.525 -12.852
88 2HN NH2 13 2HT CYS 12 8.667 -3.846 -13.445
Start of MODEL 8
1 1H ACE 1 1HA ACE 1 3.679 -4.710 -5.516
2 2H ACE 1 2HA ACE 1 4.052 -5.708 -6.921
3 3H ACE 1 3HA ACE 1 2.777 -6.197 -5.804
4 H CYS 2 H CYS 2 3.668 -3.727 -8.188
5 HA CYS 2 HA CYS 2 2.328 -2.307 -9.516
6 1HB CYS 2 2HB CYS 2 0.531 -4.727 -9.152
7 2HB CYS 2 1HB CYS 2 0.347 -3.516 -10.420
8 H ARG 3 H ARG 3 2.145 -1.714 -6.702
9 HA ARG 3 HA ARG 3 -0.609 -0.578 -6.627
10 1HB ARG 3 2HB ARG 3 0.536 -2.726 -4.985
11 2HB ARG 3 1HB ARG 3 -0.156 -1.418 -4.024
12 1HG ARG 3 2HG ARG 3 -1.821 -2.197 -6.321
13 2HG ARG 3 1HG ARG 3 -1.599 -3.487 -5.138
14 1HD ARG 3 2HD ARG 3 -2.864 -2.418 -3.568
15 2HD ARG 3 1HD ARG 3 -2.158 -0.835 -3.952
16 HE ARG 3 HE ARG 3 -4.021 -2.045 -5.928
17 1HH1 ARG 3 2HH1 ARG 3 -4.426 -0.454 -3.051
18 2HH1 ARG 3 1HH1 ARG 3 -5.202 0.948 -3.708
19 1HH2 ARG 3 1HH2 ARG 3 -4.529 0.105 -7.002
20 2HH2 ARG 3 2HH2 ARG 3 -5.260 1.264 -5.943
21 H VAL 4 H VAL 4 1.874 0.787 -7.127
22 HA VAL 4 HA VAL 4 1.930 2.574 -4.739
23 HB VAL 4 HB VAL 4 4.420 1.549 -6.132
24 1HG1 VAL 4 1HG1 VAL 4 5.313 2.343 -3.795
25 2HG1 VAL 4 2HG1 VAL 4 3.818 3.274 -3.742
26 3HG1 VAL 4 3HG1 VAL 4 4.979 3.546 -5.039
27 1HG2 VAL 4 1HG2 VAL 4 3.463 -0.373 -5.071
28 2HG2 VAL 4 2HG2 VAL 4 2.989 0.562 -3.653
29 3HG2 VAL 4 3HG2 VAL 4 4.693 0.228 -3.959
30 H VAL 5 H VAL 5 3.205 4.663 -5.340
31 HA VAL 5 HA VAL 5 2.897 5.215 -8.252
32 HB VAL 5 HB VAL 5 2.095 7.107 -6.034
33 1HG1 VAL 5 1HG1 VAL 5 2.577 7.774 -8.535
34 2HG1 VAL 5 2HG1 VAL 5 1.138 8.399 -7.730
35 3HG1 VAL 5 3HG1 VAL 5 1.006 7.031 -8.836
36 1HG2 VAL 5 1HG2 VAL 5 -0.261 6.379 -6.626
37 2HG2 VAL 5 2HG2 VAL 5 0.687 5.156 -5.779
38 3HG2 VAL 5 3HG2 VAL 5 0.449 5.035 -7.522
39 H ARG 6 H ARG 6 3.550 8.114 -6.787
40 HA ARG 6 HA ARG 6 6.303 8.104 -7.710
41 1HB ARG 6 2HB ARG 6 4.333 9.960 -7.369
42 2HB ARG 6 1HB ARG 6 5.333 10.284 -5.952
43 1HG ARG 6 2HG ARG 6 6.468 10.038 -8.750
44 2HG ARG 6 1HG ARG 6 5.982 11.578 -8.043
45 1HD ARG 6 2HD ARG 6 7.681 10.061 -6.211
46 2HD ARG 6 1HD ARG 6 8.491 10.381 -7.758
47 HE ARG 6 HE ARG 6 7.354 12.799 -7.248
48 1HH1 ARG 6 1HH2 ARG 6 10.260 12.573 -6.844
49 2HH1 ARG 6 2HH2 ARG 6 10.455 12.946 -5.164
50 1HH2 ARG 6 2HH1 ARG 6 7.109 12.435 -4.395
51 2HH2 ARG 6 1HH1 ARG 6 8.668 12.867 -3.775
52 H GLY 7 H GLY 7 8.093 7.789 -6.564
53 1HA GLY 7 2HA GLY 7 9.391 8.011 -4.461
54 2HA GLY 7 1HA GLY 7 7.915 7.566 -3.589
55 H ASP 8 H ASP 8 7.044 5.573 -5.460
56 HA ASP 8 HA ASP 8 9.200 3.539 -5.554
57 1HB ASP 8 2HB ASP 8 6.828 3.581 -3.718
58 2HB ASP 8 1HB ASP 8 7.359 2.026 -4.360
59 H TYR 9 H TYR 9 8.623 4.077 -7.902
60 HA TYR 9 HA TYR 9 5.951 3.310 -8.837
61 1HB TYR 9 2HB TYR 9 8.394 4.610 -9.806
62 2HB TYR 9 1HB TYR 9 7.642 3.580 -11.024
63 HD1 TYR 9 HD1 TYR 9 4.913 3.757 -10.940
64 HD2 TYR 9 HD2 TYR 9 7.699 6.814 -9.792
65 HE1 TYR 9 HE1 TYR 9 3.170 5.480 -11.314
66 HE2 TYR 9 HE2 TYR 9 5.958 8.545 -10.173
67 HH TYR 9 HH TYR 9 2.752 7.682 -11.448
68 H LEU 10 H LEU 10 5.480 1.180 -8.883
69 HA LEU 10 HA LEU 10 7.277 -0.678 -10.361
70 1HB LEU 10 2HB LEU 10 6.797 -2.375 -8.526
71 2HB LEU 10 1HB LEU 10 7.839 -1.042 -8.036
72 HG LEU 10 HG LEU 10 5.179 -0.173 -7.576
73 1HD1 LEU 10 1HD1 LEU 10 5.029 -2.279 -5.756
74 2HD1 LEU 10 2HD1 LEU 10 5.470 -3.061 -7.274
75 3HD1 LEU 10 3HD1 LEU 10 4.019 -2.066 -7.184
76 1HD2 LEU 10 1HD2 LEU 10 6.854 -1.268 -5.358
77 2HD2 LEU 10 2HD2 LEU 10 6.022 0.281 -5.472
78 3HD2 LEU 10 3HD2 LEU 10 7.540 0.031 -6.333
79 H ASP 11 H ASP 11 5.055 0.511 -11.425
80 HA ASP 11 HA ASP 11 2.669 -1.167 -10.986
81 1HB ASP 11 2HB ASP 11 2.724 1.342 -11.338
82 2HB ASP 11 1HB ASP 11 3.206 1.030 -13.006
83 H CYS 12 H CYS 12 1.666 -2.345 -12.752
84 HA CYS 12 HA CYS 12 3.500 -3.078 -14.999
85 1HB CYS 12 2HB CYS 12 2.788 -5.455 -14.546
86 2HB CYS 12 1HB CYS 12 3.721 -4.737 -13.234
87 1HN NH2 13 1HT CYS 12 1.581 -1.340 -15.735
88 2HN NH2 13 2HT CYS 12 0.231 -2.100 -16.428
Start of MODEL 9
1 1H ACE 1 1HA ACE 1 1.355 -7.496 -8.865
2 2H ACE 1 2HA ACE 1 -0.077 -6.842 -9.660
3 3H ACE 1 3HA ACE 1 0.355 -6.304 -8.036
4 H CYS 2 H CYS 2 0.441 -5.379 -11.208
5 HA CYS 2 HA CYS 2 3.046 -3.969 -11.078
6 1HB CYS 2 2HB CYS 2 0.978 -4.686 -13.098
7 2HB CYS 2 1HB CYS 2 1.902 -3.215 -13.409
8 H ARG 3 H ARG 3 2.441 -2.488 -9.311
9 HA ARG 3 HA ARG 3 0.544 -0.325 -10.178
10 1HB ARG 3 2HB ARG 3 1.027 -1.802 -7.626
11 2HB ARG 3 1HB ARG 3 0.583 -0.100 -7.501
12 1HG ARG 3 2HG ARG 3 -1.448 -0.467 -8.755
13 2HG ARG 3 1HG ARG 3 -0.972 -2.124 -9.132
14 1HD ARG 3 2HD ARG 3 -2.502 -2.330 -7.304
15 2HD ARG 3 1HD ARG 3 -0.897 -2.479 -6.561
16 HE ARG 3 HE ARG 3 -1.974 0.264 -6.757
17 1HH1 ARG 3 1HH2 ARG 3 -3.583 -1.561 -4.878
18 2HH1 ARG 3 2HH2 ARG 3 -2.813 -1.221 -3.364
19 1HH2 ARG 3 2HH1 ARG 3 -0.038 0.275 -4.809
20 2HH2 ARG 3 1HH1 ARG 3 -0.806 -0.181 -3.325
21 H VAL 4 H VAL 4 1.239 1.866 -9.683
22 HA VAL 4 HA VAL 4 4.125 2.073 -8.883
23 HB VAL 4 HB VAL 4 3.447 2.443 -11.351
24 1HG1 VAL 4 1HG1 VAL 4 2.336 4.417 -11.954
25 2HG1 VAL 4 2HG1 VAL 4 2.647 5.179 -10.393
26 3HG1 VAL 4 3HG1 VAL 4 1.440 3.900 -10.524
27 1HG2 VAL 4 1HG2 VAL 4 5.000 4.375 -9.638
28 2HG2 VAL 4 2HG2 VAL 4 4.875 4.625 -11.378
29 3HG2 VAL 4 3HG2 VAL 4 5.611 3.151 -10.750
30 H VAL 5 H VAL 5 4.703 3.876 -7.634
31 HA VAL 5 HA VAL 5 2.505 5.669 -6.685
32 HB VAL 5 HB VAL 5 4.637 4.901 -4.751
33 1HG1 VAL 5 1HG1 VAL 5 2.615 6.434 -4.384
34 2HG1 VAL 5 2HG1 VAL 5 2.880 5.181 -3.172
35 3HG1 VAL 5 3HG1 VAL 5 1.636 4.967 -4.405
36 1HG2 VAL 5 1HG2 VAL 5 4.170 2.695 -5.688
37 2HG2 VAL 5 2HG2 VAL 5 2.434 2.986 -5.592
38 3HG2 VAL 5 3HG2 VAL 5 3.380 2.815 -4.114
39 H ARG 6 H ARG 6 3.420 7.810 -5.999
40 HA ARG 6 HA ARG 6 5.720 8.532 -7.647
41 1HB ARG 6 2HB ARG 6 5.285 10.789 -6.673
42 2HB ARG 6 1HB ARG 6 3.829 10.048 -7.343
43 1HG ARG 6 2HG ARG 6 2.818 9.989 -5.324
44 2HG ARG 6 1HG ARG 6 4.250 9.306 -4.553
45 1HD ARG 6 2HD ARG 6 5.129 11.391 -4.013
46 2HD ARG 6 1HD ARG 6 4.290 12.200 -5.351
47 HE ARG 6 HE ARG 6 2.972 11.288 -2.830
48 1HH1 ARG 6 2HH1 ARG 6 3.353 14.209 -3.675
49 2HH1 ARG 6 1HH1 ARG 6 1.769 14.586 -4.265
50 1HH2 ARG 6 1HH2 ARG 6 0.776 11.273 -4.501
51 2HH2 ARG 6 2HH2 ARG 6 0.311 12.925 -4.733
52 H GLY 7 H GLY 7 7.163 6.971 -6.572
53 1HA GLY 7 2HA GLY 7 9.247 7.801 -5.128
54 2HA GLY 7 1HA GLY 7 8.063 7.593 -3.830
55 H ASP 8 H ASP 8 6.675 5.412 -5.132
56 HA ASP 8 HA ASP 8 8.727 3.240 -4.847
57 1HB ASP 8 2HB ASP 8 5.764 3.385 -4.179
58 2HB ASP 8 1HB ASP 8 6.703 1.894 -4.111
59 H TYR 9 H TYR 9 8.826 4.084 -7.287
60 HA TYR 9 HA TYR 9 6.650 3.273 -9.041
61 1HB TYR 9 2HB TYR 9 9.577 3.853 -9.639
62 2HB TYR 9 1HB TYR 9 8.247 3.930 -10.787
63 HD1 TYR 9 HD1 TYR 9 6.523 5.734 -10.581
64 HD2 TYR 9 HD2 TYR 9 10.029 5.659 -8.100
65 HE1 TYR 9 HE1 TYR 9 6.161 8.109 -9.995
66 HE2 TYR 9 HE2 TYR 9 9.665 8.036 -7.508
67 HH TYR 9 HH TYR 9 8.113 10.097 -9.057
68 H LEU 10 H LEU 10 6.737 0.983 -7.883
69 HA LEU 10 HA LEU 10 8.846 -0.797 -9.005
70 1HB LEU 10 2HB LEU 10 6.686 -0.982 -6.894
71 2HB LEU 10 1HB LEU 10 7.543 -2.418 -7.440
72 HG LEU 10 HG LEU 10 8.655 -1.615 -5.462
73 1HD1 LEU 10 1HD1 LEU 10 10.003 -2.243 -7.611
74 2HD1 LEU 10 2HD1 LEU 10 10.852 -1.508 -6.251
75 3HD1 LEU 10 3HD1 LEU 10 10.406 -0.526 -7.648
76 1HD2 LEU 10 1HD2 LEU 10 7.721 0.744 -5.714
77 2HD2 LEU 10 2HD2 LEU 10 9.053 1.057 -6.826
78 3HD2 LEU 10 3HD2 LEU 10 9.387 0.639 -5.145
79 H ASP 11 H ASP 11 6.465 0.428 -10.560
80 HA ASP 11 HA ASP 11 4.724 -1.878 -11.112
81 1HB ASP 11 2HB ASP 11 4.305 0.736 -11.150
82 2HB ASP 11 1HB ASP 11 4.913 0.603 -12.797
83 H CYS 12 H CYS 12 4.421 -2.176 -13.705
84 HA CYS 12 HA CYS 12 7.173 -2.623 -14.813
85 1HB CYS 12 2HB CYS 12 6.153 -4.627 -15.872
86 2HB CYS 12 1HB CYS 12 6.010 -4.668 -14.115
87 1HN NH2 13 1HT CYS 12 5.204 -0.289 -15.238
88 2HN NH2 13 2HT CYS 12 4.977 -0.236 -16.921
Start of MODEL 10
1 1H ACE 1 1HA ACE 1 1.856 -6.033 -3.315
2 2H ACE 1 2HA ACE 1 1.461 -7.109 -4.655
3 3H ACE 1 3HA ACE 1 0.200 -6.603 -3.530
4 H CYS 2 H CYS 2 2.727 -4.657 -5.114
5 HA CYS 2 HA CYS 2 2.545 -2.698 -6.416
6 1HB CYS 2 2HB CYS 2 0.231 -4.424 -7.333
7 2HB CYS 2 1HB CYS 2 0.673 -2.926 -8.150
8 H ARG 3 H ARG 3 2.044 -1.280 -4.580
9 HA ARG 3 HA ARG 3 -0.742 -0.231 -4.697
10 1HB ARG 3 2HB ARG 3 0.611 -1.669 -2.490
11 2HB ARG 3 1HB ARG 3 -0.238 -0.200 -2.010
12 1HG ARG 3 2HG ARG 3 -1.634 -2.102 -3.851
13 2HG ARG 3 1HG ARG 3 -1.517 -2.526 -2.142
14 1HD ARG 3 2HD ARG 3 -2.671 -0.532 -1.472
15 2HD ARG 3 1HD ARG 3 -2.535 0.167 -3.098
16 HE ARG 3 HE ARG 3 -4.197 -1.394 -3.877
17 1HH1 ARG 3 2HH1 ARG 3 -5.186 -0.578 -1.043
18 2HH1 ARG 3 1HH1 ARG 3 -5.713 -2.119 -0.453
19 1HH2 ARG 3 1HH2 ARG 3 -4.074 -3.921 -2.921
20 2HH2 ARG 3 2HH2 ARG 3 -5.083 -4.012 -1.517
21 H VAL 4 H VAL 4 1.821 0.883 -5.654
22 HA VAL 4 HA VAL 4 1.759 3.414 -4.109
23 HB VAL 4 HB VAL 4 3.389 1.964 -2.997
24 1HG1 VAL 4 1HG1 VAL 4 4.150 0.404 -4.537
25 2HG1 VAL 4 2HG1 VAL 4 5.517 1.516 -4.507
26 3HG1 VAL 4 3HG1 VAL 4 4.340 1.601 -5.816
27 1HG2 VAL 4 1HG2 VAL 4 3.802 4.454 -3.322
28 2HG2 VAL 4 2HG2 VAL 4 4.883 4.017 -4.645
29 3HG2 VAL 4 3HG2 VAL 4 5.240 3.484 -3.002
30 H VAL 5 H VAL 5 3.169 5.119 -5.254
31 HA VAL 5 HA VAL 5 3.531 4.577 -8.144
32 HB VAL 5 HB VAL 5 1.353 5.421 -8.109
33 1HG1 VAL 5 1HG1 VAL 5 2.217 6.735 -5.671
34 2HG1 VAL 5 2HG1 VAL 5 0.599 6.260 -6.176
35 3HG1 VAL 5 3HG1 VAL 5 1.261 7.809 -6.695
36 1HG2 VAL 5 1HG2 VAL 5 1.595 7.168 -9.533
37 2HG2 VAL 5 2HG2 VAL 5 3.323 6.943 -9.272
38 3HG2 VAL 5 3HG2 VAL 5 2.438 8.141 -8.329
39 H ARG 6 H ARG 6 3.511 7.743 -6.658
40 HA ARG 6 HA ARG 6 6.195 8.322 -7.608
41 1HB ARG 6 2HB ARG 6 4.442 10.018 -7.535
42 2HB ARG 6 1HB ARG 6 4.256 9.787 -5.797
43 1HG ARG 6 2HG ARG 6 5.617 11.762 -6.130
44 2HG ARG 6 1HG ARG 6 6.670 10.484 -5.527
45 1HD ARG 6 2HD ARG 6 7.282 9.967 -7.933
46 2HD ARG 6 1HD ARG 6 6.406 11.440 -8.395
47 HE ARG 6 HE ARG 6 7.944 12.644 -6.741
48 1HH1 ARG 6 1HH2 ARG 6 9.254 11.550 -9.346
49 2HH1 ARG 6 2HH2 ARG 6 10.749 10.957 -8.702
50 1HH2 ARG 6 2HH1 ARG 6 9.679 11.060 -5.406
51 2HH2 ARG 6 1HH1 ARG 6 10.990 10.681 -6.473
52 H GLY 7 H GLY 7 8.037 7.967 -6.558
53 1HA GLY 7 2HA GLY 7 9.439 8.020 -4.552
54 2HA GLY 7 1HA GLY 7 8.008 7.609 -3.595
55 H ASP 8 H ASP 8 7.024 5.657 -5.514
56 HA ASP 8 HA ASP 8 9.071 3.588 -5.789
57 1HB ASP 8 2HB ASP 8 7.028 3.695 -3.609
58 2HB ASP 8 1HB ASP 8 7.350 2.122 -4.340
59 H TYR 9 H TYR 9 8.406 3.671 -8.004
60 HA TYR 9 HA TYR 9 5.581 3.352 -8.750
61 1HB TYR 9 2HB TYR 9 8.222 3.468 -10.219
62 2HB TYR 9 1HB TYR 9 6.684 3.253 -11.054
63 HD1 TYR 9 HD1 TYR 9 4.978 5.024 -11.045
64 HD2 TYR 9 HD2 TYR 9 8.783 5.563 -9.131
65 HE1 TYR 9 HE1 TYR 9 4.564 7.464 -10.911
66 HE2 TYR 9 HE2 TYR 9 8.371 8.005 -9.001
67 HH TYR 9 HH TYR 9 5.373 9.382 -9.424
68 H LEU 10 H LEU 10 4.906 1.280 -8.068
69 HA LEU 10 HA LEU 10 6.058 -0.998 -9.610
70 1HB LEU 10 2HB LEU 10 5.486 -0.952 -6.621
71 2HB LEU 10 1HB LEU 10 6.042 -2.356 -7.533
72 HG LEU 10 HG LEU 10 7.962 -0.641 -8.264
73 1HD1 LEU 10 1HD1 LEU 10 6.564 0.909 -6.457
74 2HD1 LEU 10 2HD1 LEU 10 8.244 1.168 -6.927
75 3HD1 LEU 10 3HD1 LEU 10 7.866 0.256 -5.465
76 1HD2 LEU 10 1HD2 LEU 10 9.332 -1.563 -6.418
77 2HD2 LEU 10 2HD2 LEU 10 8.320 -2.806 -7.154
78 3HD2 LEU 10 3HD2 LEU 10 7.860 -2.099 -5.605
79 H ASP 11 H ASP 11 3.818 0.082 -10.528
80 HA ASP 11 HA ASP 11 1.419 -0.923 -9.147
81 1HB ASP 11 2HB ASP 11 1.514 1.242 -10.342
82 2HB ASP 11 1HB ASP 11 1.862 0.395 -11.849
83 H CYS 12 H CYS 12 0.058 -2.576 -9.976
84 HA CYS 12 HA CYS 12 1.439 -4.536 -11.742
85 1HB CYS 12 2HB CYS 12 -0.547 -4.548 -9.524
86 2HB CYS 12 1HB CYS 12 -0.715 -5.820 -10.735
87 1HN NH2 13 1HT CYS 12 0.115 -2.171 -12.957
88 2HN NH2 13 2HT CYS 12 -1.169 -2.761 -13.897
Start of MODEL 11
1 1H ACE 1 1HA ACE 1 3.306 -5.781 -3.180
2 2H ACE 1 2HA ACE 1 1.595 -5.481 -2.879
3 3H ACE 1 3HA ACE 1 2.820 -4.617 -1.949
4 H CYS 2 H CYS 2 1.066 -4.730 -4.952
5 HA CYS 2 HA CYS 2 2.627 -2.454 -6.076
6 1HB CYS 2 2HB CYS 2 0.398 -4.208 -7.163
7 2HB CYS 2 1HB CYS 2 1.264 -2.992 -8.098
8 H ARG 3 H ARG 3 1.832 -0.721 -4.713
9 HA ARG 3 HA ARG 3 -0.962 0.107 -5.334
10 1HB ARG 3 2HB ARG 3 0.236 -0.666 -2.740
11 2HB ARG 3 1HB ARG 3 -0.801 0.760 -2.718
12 1HG ARG 3 2HG ARG 3 -2.659 -0.461 -3.597
13 2HG ARG 3 1HG ARG 3 -1.644 -1.853 -3.985
14 1HD ARG 3 2HD ARG 3 -2.609 -2.540 -1.957
15 2HD ARG 3 1HD ARG 3 -1.113 -1.776 -1.382
16 HE ARG 3 HE ARG 3 -3.397 0.050 -1.703
17 1HH1 ARG 3 1HH2 ARG 3 -3.405 -2.364 0.409
18 2HH1 ARG 3 2HH2 ARG 3 -3.083 -1.445 1.841
19 1HH2 ARG 3 2HH1 ARG 3 -2.166 1.419 0.112
20 2HH2 ARG 3 1HH1 ARG 3 -2.380 0.699 1.673
21 H VAL 4 H VAL 4 2.258 0.952 -4.324
22 HA VAL 4 HA VAL 4 1.632 3.817 -4.097
23 HB VAL 4 HB VAL 4 3.197 2.732 -2.562
24 1HG1 VAL 4 1HG1 VAL 4 4.328 1.737 -5.115
25 2HG1 VAL 4 2HG1 VAL 4 4.280 0.970 -3.528
26 3HG1 VAL 4 3HG1 VAL 4 5.503 2.189 -3.881
27 1HG2 VAL 4 1HG2 VAL 4 3.583 5.118 -3.320
28 2HG2 VAL 4 2HG2 VAL 4 4.766 4.490 -4.467
29 3HG2 VAL 4 3HG2 VAL 4 5.028 4.294 -2.734
30 H VAL 5 H VAL 5 2.991 5.389 -5.345
31 HA VAL 5 HA VAL 5 3.717 4.426 -8.066
32 HB VAL 5 HB VAL 5 1.948 6.759 -7.291
33 1HG1 VAL 5 1HG1 VAL 5 3.051 5.856 -9.960
34 2HG1 VAL 5 2HG1 VAL 5 3.222 7.441 -9.203
35 3HG1 VAL 5 3HG1 VAL 5 1.653 6.919 -9.815
36 1HG2 VAL 5 1HG2 VAL 5 0.616 4.822 -7.179
37 2HG2 VAL 5 2HG2 VAL 5 1.470 4.046 -8.511
38 3HG2 VAL 5 3HG2 VAL 5 0.362 5.380 -8.833
39 H ARG 6 H ARG 6 3.505 7.640 -6.638
40 HA ARG 6 HA ARG 6 6.170 8.334 -7.569
41 1HB ARG 6 2HB ARG 6 3.904 9.610 -6.117
42 2HB ARG 6 1HB ARG 6 5.494 10.373 -5.989
43 1HG ARG 6 2HG ARG 6 5.521 9.951 -8.611
44 2HG ARG 6 1HG ARG 6 3.770 9.980 -8.402
45 1HD ARG 6 2HD ARG 6 5.379 12.150 -7.103
46 2HD ARG 6 1HD ARG 6 5.089 12.237 -8.852
47 HE ARG 6 HE ARG 6 2.658 11.541 -7.471
48 1HH1 ARG 6 1HH2 ARG 6 2.712 13.473 -9.708
49 2HH1 ARG 6 2HH2 ARG 6 2.427 14.985 -8.915
50 1HH2 ARG 6 2HH1 ARG 6 3.197 13.774 -5.759
51 2HH2 ARG 6 1HH1 ARG 6 2.701 15.157 -6.678
52 H GLY 7 H GLY 7 7.996 7.972 -6.544
53 1HA GLY 7 2HA GLY 7 9.419 8.036 -4.549
54 2HA GLY 7 1HA GLY 7 8.002 7.583 -3.585
55 H ASP 8 H ASP 8 6.973 5.652 -5.408
56 HA ASP 8 HA ASP 8 9.032 3.605 -5.837
57 1HB ASP 8 2HB ASP 8 7.032 3.619 -3.596
58 2HB ASP 8 1HB ASP 8 7.403 2.077 -4.369
59 H TYR 9 H TYR 9 8.226 3.860 -8.037
60 HA TYR 9 HA TYR 9 5.390 3.562 -8.662
61 1HB TYR 9 2HB TYR 9 7.863 3.310 -10.411
62 2HB TYR 9 1HB TYR 9 6.215 3.596 -10.974
63 HD1 TYR 9 HD1 TYR 9 5.076 5.754 -10.503
64 HD2 TYR 9 HD2 TYR 9 9.176 5.074 -9.416
65 HE1 TYR 9 HE1 TYR 9 5.399 8.195 -10.186
66 HE2 TYR 9 HE2 TYR 9 9.496 7.513 -9.105
67 HH TYR 9 HH TYR 9 8.273 9.671 -10.110
68 H LEU 10 H LEU 10 5.073 1.501 -7.478
69 HA LEU 10 HA LEU 10 6.123 -0.902 -8.933
70 1HB LEU 10 2HB LEU 10 5.326 -0.244 -6.102
71 2HB LEU 10 1HB LEU 10 5.226 -1.915 -6.650
72 HG LEU 10 HG LEU 10 7.554 -2.070 -7.009
73 1HD1 LEU 10 1HD1 LEU 10 9.035 -0.005 -6.909
74 2HD1 LEU 10 2HD1 LEU 10 7.560 0.960 -6.969
75 3HD1 LEU 10 3HD1 LEU 10 7.977 -0.097 -8.318
76 1HD2 LEU 10 1HD2 LEU 10 7.060 -1.986 -4.623
77 2HD2 LEU 10 2HD2 LEU 10 7.114 -0.223 -4.644
78 3HD2 LEU 10 3HD2 LEU 10 8.586 -1.152 -4.921
79 H ASP 11 H ASP 11 4.143 0.177 -10.347
80 HA ASP 11 HA ASP 11 1.501 -0.667 -9.345
81 1HB ASP 11 2HB ASP 11 2.176 1.438 -10.725
82 2HB ASP 11 1HB ASP 11 2.164 0.343 -12.109
83 H CYS 12 H CYS 12 0.355 -2.438 -10.132
84 HA CYS 12 HA CYS 12 1.709 -4.143 -12.189
85 1HB CYS 12 2HB CYS 12 0.482 -4.930 -9.526
86 2HB CYS 12 1HB CYS 12 1.123 -6.069 -10.712
87 1HN NH2 13 1HT CYS 12 -0.422 -2.484 -12.962
88 2HN NH2 13 2HT CYS 12 -1.833 -3.403 -13.173
Start of MODEL 12
1 1H ACE 1 1HA ACE 1 -4.191 -1.730 -16.175
2 2H ACE 1 2HA ACE 1 -3.084 -1.630 -17.545
3 3H ACE 1 3HA ACE 1 -3.669 -0.155 -16.772
4 H CYS 2 H CYS 2 -1.544 0.571 -16.256
5 HA CYS 2 HA CYS 2 -0.085 -1.077 -14.212
6 1HB CYS 2 2HB CYS 2 0.829 0.952 -16.278
7 2HB CYS 2 1HB CYS 2 1.892 0.278 -15.042
8 H ARG 3 H ARG 3 0.050 -0.155 -12.187
9 HA ARG 3 HA ARG 3 -0.960 2.617 -11.825
10 1HB ARG 3 2HB ARG 3 -0.692 0.124 -10.260
11 2HB ARG 3 1HB ARG 3 -0.353 1.592 -9.341
12 1HG ARG 3 2HG ARG 3 -2.652 1.467 -9.071
13 2HG ARG 3 1HG ARG 3 -2.564 2.448 -10.534
14 1HD ARG 3 2HD ARG 3 -2.907 0.469 -11.934
15 2HD ARG 3 1HD ARG 3 -2.891 -0.574 -10.498
16 HE ARG 3 HE ARG 3 -4.855 1.649 -10.539
17 1HH1 ARG 3 1HH2 ARG 3 -4.652 -1.324 -12.020
18 2HH1 ARG 3 2HH2 ARG 3 -6.033 -2.019 -11.242
19 1HH2 ARG 3 2HH1 ARG 3 -6.414 0.596 -8.995
20 2HH2 ARG 3 1HH1 ARG 3 -7.032 -0.931 -9.528
21 H VAL 4 H VAL 4 0.327 4.101 -10.428
22 HA VAL 4 HA VAL 4 3.223 3.468 -10.242
23 HB VAL 4 HB VAL 4 2.822 4.436 -12.477
24 1HG1 VAL 4 1HG1 VAL 4 1.618 6.368 -12.848
25 2HG1 VAL 4 2HG1 VAL 4 2.033 7.055 -11.278
26 3HG1 VAL 4 3HG1 VAL 4 0.793 5.807 -11.395
27 1HG2 VAL 4 1HG2 VAL 4 4.325 5.982 -10.387
28 2HG2 VAL 4 2HG2 VAL 4 4.208 6.650 -12.015
29 3HG2 VAL 4 3HG2 VAL 4 4.946 5.068 -11.762
30 H VAL 5 H VAL 5 3.503 3.843 -8.053
31 HA VAL 5 HA VAL 5 2.185 6.181 -6.787
32 HB VAL 5 HB VAL 5 3.466 5.105 -4.779
33 1HG1 VAL 5 1HG1 VAL 5 1.108 3.908 -6.210
34 2HG1 VAL 5 2HG1 VAL 5 1.118 4.939 -4.779
35 3HG1 VAL 5 3HG1 VAL 5 1.663 3.265 -4.664
36 1HG2 VAL 5 1HG2 VAL 5 3.326 2.611 -6.438
37 2HG2 VAL 5 2HG2 VAL 5 4.239 2.912 -4.961
38 3HG2 VAL 5 3HG2 VAL 5 4.771 3.617 -6.484
39 H ARG 6 H ARG 6 3.379 8.043 -6.419
40 HA ARG 6 HA ARG 6 6.013 8.245 -7.619
41 1HB ARG 6 2HB ARG 6 5.853 10.586 -6.659
42 2HB ARG 6 1HB ARG 6 4.511 10.116 -7.699
43 1HG ARG 6 2HG ARG 6 3.007 10.093 -5.975
44 2HG ARG 6 1HG ARG 6 4.194 9.523 -4.804
45 1HD ARG 6 2HD ARG 6 4.599 12.266 -5.919
46 2HD ARG 6 1HD ARG 6 3.295 12.047 -4.737
47 HE ARG 6 HE ARG 6 6.166 11.372 -4.234
48 1HH1 ARG 6 2HH1 ARG 6 3.379 10.328 -2.914
49 2HH1 ARG 6 1HH1 ARG 6 3.564 11.082 -1.366
50 1HH2 ARG 6 1HH2 ARG 6 6.231 13.066 -2.354
51 2HH2 ARG 6 2HH2 ARG 6 5.177 12.632 -1.048
52 H GLY 7 H GLY 7 7.782 7.514 -6.697
53 1HA GLY 7 2HA GLY 7 9.386 8.021 -4.782
54 2HA GLY 7 1HA GLY 7 8.048 7.549 -3.725
55 H ASP 8 H ASP 8 7.023 5.427 -5.273
56 HA ASP 8 HA ASP 8 9.229 3.491 -5.690
57 1HB ASP 8 2HB ASP 8 7.132 3.315 -3.504
58 2HB ASP 8 1HB ASP 8 8.113 1.938 -4.010
59 H TYR 9 H TYR 9 7.875 4.149 -7.808
60 HA TYR 9 HA TYR 9 5.331 2.618 -7.993
61 1HB TYR 9 2HB TYR 9 5.503 3.705 -10.395
62 2HB TYR 9 1HB TYR 9 5.042 4.666 -9.001
63 HD1 TYR 9 HD1 TYR 9 5.925 6.795 -9.120
64 HD2 TYR 9 HD2 TYR 9 8.353 3.482 -10.367
65 HE1 TYR 9 HE1 TYR 9 7.813 8.344 -9.549
66 HE2 TYR 9 HE2 TYR 9 10.244 5.029 -10.790
67 HH TYR 9 HH TYR 9 9.917 8.290 -11.092
68 H LEU 10 H LEU 10 4.925 1.107 -9.652
69 HA LEU 10 HA LEU 10 7.243 -0.110 -11.082
70 1HB LEU 10 2HB LEU 10 5.161 -1.653 -9.489
71 2HB LEU 10 1HB LEU 10 6.600 -2.312 -10.263
72 HG LEU 10 HG LEU 10 6.635 -0.304 -7.992
73 1HD1 LEU 10 1HD1 LEU 10 5.948 -2.246 -6.919
74 2HD1 LEU 10 2HD1 LEU 10 7.697 -2.467 -6.889
75 3HD1 LEU 10 3HD1 LEU 10 6.724 -3.298 -8.103
76 1HD2 LEU 10 1HD2 LEU 10 8.573 -0.578 -9.795
77 2HD2 LEU 10 2HD2 LEU 10 8.954 -2.007 -8.835
78 3HD2 LEU 10 3HD2 LEU 10 8.954 -0.413 -8.082
79 H ASP 11 H ASP 11 5.745 1.369 -12.604
80 HA ASP 11 HA ASP 11 3.245 0.013 -13.441
81 1HB ASP 11 2HB ASP 11 3.010 2.067 -14.804
82 2HB ASP 11 1HB ASP 11 3.382 2.455 -13.126
83 H CYS 12 H CYS 12 4.469 -1.917 -14.278
84 HA CYS 12 HA CYS 12 5.793 -3.049 -15.940
85 1HB CYS 12 2HB CYS 12 4.369 -3.020 -17.990
86 2HB CYS 12 1HB CYS 12 3.432 -3.197 -16.509
87 1HN NH2 13 1HT CYS 12 7.299 -0.690 -15.515
88 2HN NH2 13 2HT CYS 12 7.814 -0.068 -17.008
Start of MODEL 13
1 1H ACE 1 1HA ACE 1 -4.252 -2.876 -14.524
2 2H ACE 1 2HA ACE 1 -5.562 -1.930 -13.818
3 3H ACE 1 3HA ACE 1 -5.546 -3.685 -13.639
4 H CYS 2 H CYS 2 -2.466 -2.224 -13.380
5 HA CYS 2 HA CYS 2 -2.359 -2.878 -10.503
6 1HB CYS 2 2HB CYS 2 -0.531 -2.426 -12.784
7 2HB CYS 2 1HB CYS 2 0.091 -1.882 -11.227
8 H ARG 3 H ARG 3 -0.462 -0.924 -9.667
9 HA ARG 3 HA ARG 3 -1.841 1.684 -10.086
10 1HB ARG 3 2HB ARG 3 -1.839 -0.045 -7.701
11 2HB ARG 3 1HB ARG 3 -1.393 1.626 -7.361
12 1HG ARG 3 2HG ARG 3 -3.881 0.738 -8.856
13 2HG ARG 3 1HG ARG 3 -3.840 1.303 -7.186
14 1HD ARG 3 2HD ARG 3 -2.549 3.148 -9.103
15 2HD ARG 3 1HD ARG 3 -4.295 2.944 -9.340
16 HE ARG 3 HE ARG 3 -3.708 3.229 -6.535
17 1HH1 ARG 3 1HH2 ARG 3 -2.143 5.460 -7.942
18 2HH1 ARG 3 2HH2 ARG 3 -3.299 6.749 -7.898
19 1HH2 ARG 3 2HH1 ARG 3 -5.977 4.677 -7.149
20 2HH2 ARG 3 1HH1 ARG 3 -5.468 6.306 -7.450
21 H VAL 4 H VAL 4 -0.398 3.357 -10.172
22 HA VAL 4 HA VAL 4 2.474 2.758 -9.725
23 HB VAL 4 HB VAL 4 1.716 3.726 -11.853
24 1HG1 VAL 4 1HG1 VAL 4 0.060 5.247 -11.899
25 2HG1 VAL 4 2HG1 VAL 4 1.069 6.392 -11.014
26 3HG1 VAL 4 3HG1 VAL 4 0.037 5.267 -10.135
27 1HG2 VAL 4 1HG2 VAL 4 3.940 4.397 -10.855
28 2HG2 VAL 4 2HG2 VAL 4 3.157 5.854 -10.244
29 3HG2 VAL 4 3HG2 VAL 4 3.266 5.574 -11.982
30 H VAL 5 H VAL 5 3.784 4.012 -8.299
31 HA VAL 5 HA VAL 5 2.319 5.900 -6.483
32 HB VAL 5 HB VAL 5 4.487 4.603 -5.124
33 1HG1 VAL 5 1HG1 VAL 5 2.227 5.662 -4.351
34 2HG1 VAL 5 2HG1 VAL 5 2.888 4.292 -3.457
35 3HG1 VAL 5 3HG1 VAL 5 1.582 4.043 -4.615
36 1HG2 VAL 5 1HG2 VAL 5 4.092 2.769 -6.804
37 2HG2 VAL 5 2HG2 VAL 5 2.428 2.668 -6.236
38 3HG2 VAL 5 3HG2 VAL 5 3.759 2.280 -5.143
39 H ARG 6 H ARG 6 3.435 7.769 -6.017
40 HA ARG 6 HA ARG 6 5.841 8.367 -7.587
41 1HB ARG 6 2HB ARG 6 5.491 10.628 -6.631
42 2HB ARG 6 1HB ARG 6 3.999 9.976 -7.300
43 1HG ARG 6 2HG ARG 6 3.667 9.089 -4.816
44 2HG ARG 6 1HG ARG 6 4.764 10.414 -4.437
45 1HD ARG 6 2HD ARG 6 2.917 11.746 -4.470
46 2HD ARG 6 1HD ARG 6 2.949 11.554 -6.234
47 HE ARG 6 HE ARG 6 1.615 9.434 -4.635
48 1HH1 ARG 6 2HH1 ARG 6 0.872 12.503 -5.739
49 2HH1 ARG 6 1HH1 ARG 6 -0.476 12.023 -6.716
50 1HH2 ARG 6 1HH2 ARG 6 0.126 8.630 -6.354
51 2HH2 ARG 6 2HH2 ARG 6 -0.898 9.834 -7.064
52 H GLY 7 H GLY 7 7.641 7.361 -6.774
53 1HA GLY 7 2HA GLY 7 9.484 7.936 -5.127
54 2HA GLY 7 1HA GLY 7 8.250 7.749 -3.876
55 H ASP 8 H ASP 8 7.093 5.474 -5.649
56 HA ASP 8 HA ASP 8 9.173 3.404 -5.365
57 1HB ASP 8 2HB ASP 8 6.778 3.766 -3.585
58 2HB ASP 8 1HB ASP 8 7.350 2.132 -3.933
59 H TYR 9 H TYR 9 8.821 3.145 -7.628
60 HA TYR 9 HA TYR 9 6.179 2.698 -8.759
61 1HB TYR 9 2HB TYR 9 8.855 3.168 -9.591
62 2HB TYR 9 1HB TYR 9 8.360 1.644 -10.336
63 HD1 TYR 9 HD1 TYR 9 6.277 1.552 -11.717
64 HD2 TYR 9 HD2 TYR 9 7.888 5.237 -10.223
65 HE1 TYR 9 HE1 TYR 9 4.874 2.812 -13.328
66 HE2 TYR 9 HE2 TYR 9 6.488 6.507 -11.842
67 HH TYR 9 HH TYR 9 4.038 4.908 -13.795
68 H LEU 10 H LEU 10 5.367 0.674 -9.554
69 HA LEU 10 HA LEU 10 6.266 -1.682 -7.980
70 1HB LEU 10 2HB LEU 10 3.853 -0.549 -8.447
71 2HB LEU 10 1HB LEU 10 3.892 -1.709 -9.773
72 HG LEU 10 HG LEU 10 4.704 -3.350 -7.839
73 1HD1 LEU 10 1HD1 LEU 10 3.117 -2.661 -5.839
74 2HD1 LEU 10 2HD1 LEU 10 3.386 -1.032 -6.459
75 3HD1 LEU 10 3HD1 LEU 10 4.754 -2.014 -5.931
76 1HD2 LEU 10 1HD2 LEU 10 2.412 -4.112 -7.668
77 2HD2 LEU 10 2HD2 LEU 10 2.646 -3.490 -9.301
78 3HD2 LEU 10 3HD2 LEU 10 1.799 -2.516 -8.100
79 H ASP 11 H ASP 11 4.916 -3.434 -10.019
80 HA ASP 11 HA ASP 11 6.862 -3.317 -12.286
81 1HB ASP 11 2HB ASP 11 7.439 -4.776 -10.146
82 2HB ASP 11 1HB ASP 11 6.290 -5.903 -10.866
83 H CYS 12 H CYS 12 4.572 -2.576 -13.127
84 HA CYS 12 HA CYS 12 3.116 -5.022 -14.068
85 1HB CYS 12 2HB CYS 12 2.067 -2.424 -12.922
86 2HB CYS 12 1HB CYS 12 1.042 -3.540 -13.827
87 1HN NH2 13 1HT CYS 12 5.170 -3.316 -15.470
88 2HN NH2 13 2HT CYS 12 4.381 -2.677 -16.828
Start of MODEL 14
1 1H ACE 1 1HA ACE 1 1.316 -5.562 -3.430
2 2H ACE 1 2HA ACE 1 2.695 -5.427 -4.523
3 3H ACE 1 3HA ACE 1 1.450 -6.640 -4.820
4 H CYS 2 H CYS 2 2.507 -4.080 -6.281
5 HA CYS 2 HA CYS 2 1.570 -2.395 -7.654
6 1HB CYS 2 2HB CYS 2 0.378 -4.765 -8.110
7 2HB CYS 2 1HB CYS 2 -1.032 -3.857 -7.564
8 H ARG 3 H ARG 3 1.585 -1.296 -5.237
9 HA ARG 3 HA ARG 3 -1.122 -0.068 -4.967
10 1HB ARG 3 2HB ARG 3 0.363 -1.777 -3.058
11 2HB ARG 3 1HB ARG 3 -0.354 -0.322 -2.364
12 1HG ARG 3 2HG ARG 3 -2.439 -1.135 -3.848
13 2HG ARG 3 1HG ARG 3 -1.684 -2.703 -3.562
14 1HD ARG 3 2HD ARG 3 -1.701 -2.271 -1.121
15 2HD ARG 3 1HD ARG 3 -2.486 -0.706 -1.413
16 HE ARG 3 HE ARG 3 -3.792 -3.299 -1.565
17 1HH1 ARG 3 1HH2 ARG 3 -5.123 -0.685 -0.856
18 2HH1 ARG 3 2HH2 ARG 3 -6.125 -0.414 -2.242
19 1HH2 ARG 3 2HH1 ARG 3 -4.456 -2.713 -4.230
20 2HH2 ARG 3 1HH1 ARG 3 -5.748 -1.562 -4.151
21 H VAL 4 H VAL 4 1.742 0.786 -5.869
22 HA VAL 4 HA VAL 4 1.767 3.278 -4.229
23 HB VAL 4 HB VAL 4 3.326 1.624 -3.255
24 1HG1 VAL 4 1HG1 VAL 4 5.459 1.299 -4.788
25 2HG1 VAL 4 2HG1 VAL 4 4.296 1.544 -6.090
26 3HG1 VAL 4 3HG1 VAL 4 4.072 0.224 -4.944
27 1HG2 VAL 4 1HG2 VAL 4 5.093 3.138 -2.964
28 2HG2 VAL 4 2HG2 VAL 4 3.760 4.184 -3.454
29 3HG2 VAL 4 3HG2 VAL 4 4.993 3.724 -4.624
30 H VAL 5 H VAL 5 3.168 5.002 -5.289
31 HA VAL 5 HA VAL 5 3.536 4.601 -8.205
32 HB VAL 5 HB VAL 5 1.344 5.419 -8.102
33 1HG1 VAL 5 1HG1 VAL 5 2.195 6.592 -5.622
34 2HG1 VAL 5 2HG1 VAL 5 0.559 6.302 -6.207
35 3HG1 VAL 5 3HG1 VAL 5 1.382 7.807 -6.609
36 1HG2 VAL 5 1HG2 VAL 5 1.606 7.139 -9.538
37 2HG2 VAL 5 2HG2 VAL 5 3.333 7.009 -9.210
38 3HG2 VAL 5 3HG2 VAL 5 2.345 8.151 -8.299
39 H ARG 6 H ARG 6 3.482 7.695 -6.597
40 HA ARG 6 HA ARG 6 6.116 8.384 -7.583
41 1HB ARG 6 2HB ARG 6 5.633 10.504 -6.391
42 2HB ARG 6 1HB ARG 6 4.246 9.974 -7.342
43 1HG ARG 6 2HG ARG 6 3.075 10.261 -5.414
44 2HG ARG 6 1HG ARG 6 3.782 8.715 -4.945
45 1HD ARG 6 2HD ARG 6 4.529 9.935 -3.140
46 2HD ARG 6 1HD ARG 6 5.813 10.415 -4.269
47 HE ARG 6 HE ARG 6 4.521 12.447 -4.775
48 1HH1 ARG 6 1HH2 ARG 6 4.897 12.755 -1.881
49 2HH1 ARG 6 2HH2 ARG 6 3.285 12.996 -1.294
50 1HH2 ARG 6 2HH1 ARG 6 1.773 11.775 -4.166
51 2HH2 ARG 6 1HH1 ARG 6 1.516 12.441 -2.588
52 H GLY 7 H GLY 7 8.008 7.989 -6.622
53 1HA GLY 7 2HA GLY 7 9.525 8.009 -4.724
54 2HA GLY 7 1HA GLY 7 8.142 7.704 -3.663
55 H ASP 8 H ASP 8 7.024 5.697 -5.517
56 HA ASP 8 HA ASP 8 9.009 3.523 -5.578
57 1HB ASP 8 2HB ASP 8 6.779 3.849 -3.617
58 2HB ASP 8 1HB ASP 8 7.070 2.224 -4.239
59 H TYR 9 H TYR 9 8.527 3.694 -7.857
60 HA TYR 9 HA TYR 9 5.792 3.471 -8.851
61 1HB TYR 9 2HB TYR 9 8.517 3.240 -10.174
62 2HB TYR 9 1HB TYR 9 6.987 3.400 -11.036
63 HD1 TYR 9 HD1 TYR 9 9.646 5.147 -9.351
64 HD2 TYR 9 HD2 TYR 9 5.531 5.451 -10.548
65 HE1 TYR 9 HE1 TYR 9 9.746 7.609 -9.074
66 HE2 TYR 9 HE2 TYR 9 5.634 7.914 -10.273
67 HH TYR 9 HH TYR 9 7.303 9.691 -10.249
68 H LEU 10 H LEU 10 5.864 1.342 -7.284
69 HA LEU 10 HA LEU 10 6.663 -1.042 -8.893
70 1HB LEU 10 2HB LEU 10 6.033 -0.410 -6.019
71 2HB LEU 10 1HB LEU 10 5.865 -2.071 -6.582
72 HG LEU 10 HG LEU 10 8.197 -2.073 -7.348
73 1HD1 LEU 10 1HD1 LEU 10 9.613 -0.060 -6.587
74 2HD1 LEU 10 2HD1 LEU 10 8.084 0.806 -6.433
75 3HD1 LEU 10 3HD1 LEU 10 8.588 0.179 -8.003
76 1HD2 LEU 10 1HD2 LEU 10 7.726 -2.714 -5.014
77 2HD2 LEU 10 2HD2 LEU 10 7.885 -1.030 -4.514
78 3HD2 LEU 10 3HD2 LEU 10 9.287 -1.903 -5.132
79 H ASP 11 H ASP 11 4.716 -0.161 -10.305
80 HA ASP 11 HA ASP 11 2.061 -0.863 -9.178
81 1HB ASP 11 2HB ASP 11 1.274 0.204 -11.275
82 2HB ASP 11 1HB ASP 11 2.405 1.245 -10.410
83 H CYS 12 H CYS 12 3.583 -3.133 -9.400
84 HA CYS 12 HA CYS 12 3.906 -5.166 -10.615
85 1HB CYS 12 2HB CYS 12 1.755 -6.272 -10.596
86 2HB CYS 12 1HB CYS 12 1.801 -5.145 -9.246
87 1HN NH2 13 1HT CYS 12 4.418 -3.122 -12.548
88 2HN NH2 13 2HT CYS 12 3.741 -3.588 -14.033
Start of MODEL 15
1 1H ACE 1 1HA ACE 1 4.493 -5.386 -2.311
2 2H ACE 1 2HA ACE 1 5.364 -6.194 -3.616
3 3H ACE 1 3HA ACE 1 3.602 -6.160 -3.621
4 H CYS 2 H CYS 2 3.628 -5.141 -5.722
5 HA CYS 2 HA CYS 2 4.766 -2.388 -5.852
6 1HB CYS 2 2HB CYS 2 3.552 -4.221 -7.953
7 2HB CYS 2 1HB CYS 2 4.361 -2.689 -8.279
8 H ARG 3 H ARG 3 3.064 -1.437 -4.466
9 HA ARG 3 HA ARG 3 0.473 -1.087 -5.935
10 1HB ARG 3 2HB ARG 3 1.067 -1.768 -3.054
11 2HB ARG 3 1HB ARG 3 -0.465 -1.018 -3.505
12 1HG ARG 3 2HG ARG 3 -0.873 -2.852 -5.122
13 2HG ARG 3 1HG ARG 3 0.638 -3.613 -4.624
14 1HD ARG 3 2HD ARG 3 -1.088 -4.708 -3.357
15 2HD ARG 3 1HD ARG 3 -0.328 -3.570 -2.227
16 HE ARG 3 HE ARG 3 -2.891 -3.036 -3.676
17 1HH1 ARG 3 1HH2 ARG 3 -1.785 -3.482 -0.625
18 2HH1 ARG 3 2HH2 ARG 3 -2.280 -1.948 0.010
19 1HH2 ARG 3 2HH1 ARG 3 -3.033 -0.606 -3.096
20 2HH2 ARG 3 1HH1 ARG 3 -2.987 -0.321 -1.389
21 H VAL 4 H VAL 4 3.014 0.596 -5.589
22 HA VAL 4 HA VAL 4 1.653 3.045 -4.529
23 HB VAL 4 HB VAL 4 3.223 2.368 -2.870
24 1HG1 VAL 4 1HG1 VAL 4 5.730 2.144 -3.944
25 2HG1 VAL 4 2HG1 VAL 4 4.741 1.432 -5.215
26 3HG1 VAL 4 3HG1 VAL 4 4.680 0.780 -3.577
27 1HG2 VAL 4 1HG2 VAL 4 4.888 4.134 -2.884
28 2HG2 VAL 4 2HG2 VAL 4 3.399 4.770 -3.585
29 3HG2 VAL 4 3HG2 VAL 4 4.741 4.312 -4.632
30 H VAL 5 H VAL 5 2.843 5.092 -5.437
31 HA VAL 5 HA VAL 5 3.685 4.549 -8.251
32 HB VAL 5 HB VAL 5 1.891 6.690 -7.101
33 1HG1 VAL 5 1HG1 VAL 5 2.856 6.245 -9.946
34 2HG1 VAL 5 2HG1 VAL 5 3.243 7.626 -8.918
35 3HG1 VAL 5 3HG1 VAL 5 1.589 7.380 -9.477
36 1HG2 VAL 5 1HG2 VAL 5 0.137 5.583 -8.282
37 2HG2 VAL 5 2HG2 VAL 5 1.025 4.308 -7.446
38 3HG2 VAL 5 3HG2 VAL 5 1.277 4.572 -9.172
39 H ARG 6 H ARG 6 3.473 7.672 -6.668
40 HA ARG 6 HA ARG 6 6.140 8.409 -7.538
41 1HB ARG 6 2HB ARG 6 3.974 9.806 -7.173
42 2HB ARG 6 1HB ARG 6 4.473 9.855 -5.485
43 1HG ARG 6 2HG ARG 6 6.798 10.575 -6.533
44 2HG ARG 6 1HG ARG 6 5.783 11.077 -7.883
45 1HD ARG 6 2HD ARG 6 4.982 11.870 -5.099
46 2HD ARG 6 1HD ARG 6 6.265 12.774 -5.930
47 HE ARG 6 HE ARG 6 3.647 12.280 -7.283
48 1HH1 ARG 6 1HH2 ARG 6 6.479 13.968 -7.544
49 2HH1 ARG 6 2HH2 ARG 6 5.760 15.533 -7.721
50 1HH2 ARG 6 2HH1 ARG 6 2.566 14.445 -6.905
51 2HH2 ARG 6 1HH1 ARG 6 3.539 15.804 -7.358
52 H GLY 7 H GLY 7 7.948 7.834 -6.559
53 1HA GLY 7 2HA GLY 7 9.405 8.009 -4.570
54 2HA GLY 7 1HA GLY 7 8.011 7.517 -3.590
55 H ASP 8 H ASP 8 7.005 5.609 -5.403
56 HA ASP 8 HA ASP 8 9.045 3.609 -5.971
57 1HB ASP 8 2HB ASP 8 7.253 3.541 -3.562
58 2HB ASP 8 1HB ASP 8 7.605 2.020 -4.389
59 H TYR 9 H TYR 9 8.126 3.718 -8.065
60 HA TYR 9 HA TYR 9 5.258 3.604 -8.489
61 1HB TYR 9 2HB TYR 9 7.739 3.440 -10.201
62 2HB TYR 9 1HB TYR 9 6.134 3.238 -10.905
63 HD1 TYR 9 HD1 TYR 9 4.515 5.076 -10.920
64 HD2 TYR 9 HD2 TYR 9 8.442 5.574 -9.259
65 HE1 TYR 9 HE1 TYR 9 4.188 7.534 -10.888
66 HE2 TYR 9 HE2 TYR 9 8.120 8.032 -9.230
67 HH TYR 9 HH TYR 9 6.270 9.660 -10.887
68 H LEU 10 H LEU 10 4.067 1.853 -9.362
69 HA LEU 10 HA LEU 10 5.129 -0.811 -8.627
70 1HB LEU 10 2HB LEU 10 2.748 -1.425 -8.798
71 2HB LEU 10 1HB LEU 10 2.934 0.032 -7.823
72 HG LEU 10 HG LEU 10 2.685 0.713 -10.633
73 1HD1 LEU 10 1HD1 LEU 10 0.470 -0.939 -9.389
74 2HD1 LEU 10 2HD1 LEU 10 1.399 -1.343 -10.832
75 3HD1 LEU 10 3HD1 LEU 10 0.291 0.029 -10.850
76 1HD2 LEU 10 1HD2 LEU 10 2.158 2.454 -9.217
77 2HD2 LEU 10 2HD2 LEU 10 1.439 1.392 -8.007
78 3HD2 LEU 10 3HD2 LEU 10 0.538 1.804 -9.465
79 H ASP 11 H ASP 11 6.359 0.203 -10.939
80 HA ASP 11 HA ASP 11 4.943 -0.963 -13.270
81 1HB ASP 11 2HB ASP 11 6.106 1.206 -13.454
82 2HB ASP 11 1HB ASP 11 7.616 0.459 -12.929
83 H CYS 12 H CYS 12 5.218 -2.992 -11.713
84 HA CYS 12 HA CYS 12 7.850 -4.312 -12.035
85 1HB CYS 12 2HB CYS 12 5.297 -5.104 -10.591
86 2HB CYS 12 1HB CYS 12 6.865 -5.889 -10.410
87 1HN NH2 13 1HT CYS 12 6.100 -3.940 -14.441
88 2HN NH2 13 2HT CYS 12 5.703 -5.498 -14.984
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