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 |
|
|
647512 |
6u7s   |
30668 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -8.103 0.769 1.779
2 HA2 GLY 1 2HA GLY 1 -7.705 -0.662 3.715
3 HA3 GLY 1 1HA GLY 1 -8.793 -1.831 2.976
4 H ARG 2 H ARG 2 -7.029 -0.513 0.552
5 HA ARG 2 HA ARG 2 -5.376 -2.886 0.384
6 HB2 ARG 2 2HB ARG 2 -5.715 -0.589 -1.549
7 HB3 ARG 2 1HB ARG 2 -4.691 -1.981 -1.836
8 HG2 ARG 2 2HG ARG 2 -6.666 -3.425 -1.751
9 HG3 ARG 2 1HG ARG 2 -7.689 -1.998 -1.527
10 HD2 ARG 2 2HD ARG 2 -6.908 -1.103 -3.662
11 HD3 ARG 2 1HD ARG 2 -5.852 -2.494 -3.861
12 HE ARG 2 HE ARG 2 -8.584 -3.242 -3.535
13 HH11 ARG 2 1HH1 ARG 2 -6.239 -2.032 -5.909
14 HH12 ARG 2 2HH1 ARG 2 -7.018 -2.743 -7.241
15 HH21 ARG 2 1HH2 ARG 2 -9.678 -4.193 -5.440
16 HH22 ARG 2 2HH2 ARG 2 -8.988 -3.967 -6.982
17 H CYS 3 H CYS 3 -3.605 -2.825 1.601
18 HA CYS 3 HA CYS 3 -1.913 -0.460 1.394
19 HB2 CYS 3 2HB CYS 3 -2.430 -2.257 3.726
20 HB3 CYS 3 1HB CYS 3 -0.904 -1.386 3.590
21 H TYR 4 H TYR 4 -0.031 -0.690 0.565
22 HA TYR 4 HA TYR 4 0.954 -3.400 0.119
23 HB2 TYR 4 2HB TYR 4 1.448 -0.866 -1.463
24 HB3 TYR 4 1HB TYR 4 2.161 -2.438 -1.818
25 HD1 TYR 4 1HD TYR 4 0.738 -4.284 -2.625
26 HD2 TYR 4 2HD TYR 4 -0.840 -0.378 -2.059
27 HE1 TYR 4 1HE TYR 4 -1.211 -4.889 -3.967
28 HE2 TYR 4 2HE TYR 4 -2.807 -0.977 -3.405
29 HH TYR 4 HH TYR 4 -3.545 -4.164 -4.221
30 H LYS 5 H LYS 5 2.701 -3.942 1.139
31 HA LYS 5 HA LYS 5 4.097 -2.048 2.800
32 HB2 LYS 5 2HB LYS 5 4.632 -4.990 2.336
33 HB3 LYS 5 1HB LYS 5 5.309 -3.999 3.622
34 HG2 LYS 5 2HG LYS 5 3.168 -3.725 4.632
35 HG3 LYS 5 1HG LYS 5 2.376 -4.526 3.278
36 HD2 LYS 5 2HD LYS 5 3.682 -6.579 3.827
37 HD3 LYS 5 1HD LYS 5 4.283 -5.742 5.260
38 HE2 LYS 5 2HE LYS 5 2.377 -7.193 5.803
39 HE3 LYS 5 1HE LYS 5 2.002 -5.497 6.095
40 HZ1 LYS 5 1HZ LYS 5 0.801 -5.424 4.017
41 HZ2 LYS 5 2HZ LYS 5 0.174 -6.672 4.931
42 HZ3 LYS 5 3HZ LYS 5 1.223 -6.995 3.652
43 H SER 6 H SER 6 5.174 -0.739 1.496
44 HA SER 6 HA SER 6 7.481 -1.765 0.115
45 HB2 SER 6 2HB SER 6 5.351 -0.090 -1.263
46 HB3 SER 6 1HB SER 6 6.887 -0.586 -1.973
47 HG SER 6 HG SER 6 5.652 -2.724 -1.006
48 H LYS 7 H LYS 7 8.513 0.417 -0.854
49 HA LYS 7 HA LYS 7 8.050 2.548 1.077
50 HB2 LYS 7 2HB LYS 7 10.689 1.626 -0.084
51 HB3 LYS 7 1HB LYS 7 10.490 3.094 0.862
52 HG2 LYS 7 2HG LYS 7 9.859 0.327 1.866
53 HG3 LYS 7 1HG LYS 7 11.381 1.167 2.157
54 HD2 LYS 7 2HD LYS 7 10.228 2.918 3.366
55 HD3 LYS 7 1HD LYS 7 8.663 2.210 2.973
56 HE2 LYS 7 2HE LYS 7 10.806 0.857 4.591
57 HE3 LYS 7 1HE LYS 7 9.436 1.713 5.280
58 HZ1 LYS 7 1HZ LYS 7 7.975 0.113 4.042
59 HZ2 LYS 7 2HZ LYS 7 8.903 -0.568 5.237
60 HZ3 LYS 7 3HZ LYS 7 9.360 -0.770 3.634
61 HA PRO 8 HA PRO 8 7.237 4.307 1.214
62 HB2 PRO 8 2HB PRO 8 5.117 5.749 -0.165
63 HB3 PRO 8 1HB PRO 8 6.366 6.389 0.904
64 HG2 PRO 8 2HG PRO 8 6.310 6.924 -1.754
65 HG3 PRO 8 1HG PRO 8 7.817 6.816 -0.829
66 HD2 PRO 8 2HD PRO 8 6.521 4.747 -2.577
67 HD3 PRO 8 1HD PRO 8 8.226 5.247 -2.505
68 HA PRO 9 HA PRO 9 4.015 1.237 1.131
69 HB2 PRO 9 2HB PRO 9 2.753 1.787 3.479
70 HB3 PRO 9 1HB PRO 9 4.312 0.962 3.401
71 HG2 PRO 9 2HG PRO 9 3.712 3.823 4.007
72 HG3 PRO 9 1HG PRO 9 4.921 2.754 4.735
73 HD2 PRO 9 2HD PRO 9 5.506 4.632 2.840
74 HD3 PRO 9 1HD PRO 9 6.441 3.138 3.057
75 H ILE 10 H ILE 10 2.547 1.549 -0.334
76 HA ILE 10 HA ILE 10 0.894 3.915 -0.419
77 HB ILE 10 HB ILE 10 0.897 1.492 -2.251
78 HG12 ILE 10 2HG1 ILE 10 2.229 4.191 -2.615
79 HG13 ILE 10 1HG1 ILE 10 3.067 2.700 -2.206
80 HG21 ILE 10 1HG2 ILE 10 -1.199 2.760 -2.346
81 HG22 ILE 10 2HG2 ILE 10 -0.277 2.960 -3.835
82 HG23 ILE 10 3HG2 ILE 10 -0.294 4.247 -2.630
83 HD11 ILE 10 1HD1 ILE 10 2.392 1.743 -4.354
84 HD12 ILE 10 2HD1 ILE 10 3.304 3.238 -4.564
85 HD13 ILE 10 3HD1 ILE 10 1.551 3.241 -4.754
86 H CYS 11 H CYS 11 -0.933 4.019 0.688
87 HA CYS 11 HA CYS 11 -2.523 1.597 0.942
88 HB2 CYS 11 2HB CYS 11 -2.065 3.752 2.988
89 HB3 CYS 11 1HB CYS 11 -3.435 2.655 3.055
90 H PHE 12 H PHE 12 -4.310 1.679 0.028
91 HA PHE 12 HA PHE 12 -5.571 4.206 -0.666
92 HB2 PHE 12 2HB PHE 12 -6.285 1.353 -1.428
93 HB3 PHE 12 1HB PHE 12 -7.124 2.787 -1.990
94 HD1 PHE 12 1HD PHE 12 -6.120 4.266 -3.634
95 HD2 PHE 12 2HD PHE 12 -4.108 0.746 -2.332
96 HE1 PHE 12 1HE PHE 12 -4.592 4.438 -5.538
97 HE2 PHE 12 2HE PHE 12 -2.572 0.923 -4.250
98 HZ PHE 12 HZ PHE 12 -2.812 2.764 -5.849
99 HA PRO 13 HA PRO 13 -8.025 3.974 3.025
100 HB2 PRO 13 2HB PRO 13 -10.268 5.312 2.088
101 HB3 PRO 13 1HB PRO 13 -8.813 6.086 2.723
102 HG2 PRO 13 2HG PRO 13 -9.613 5.587 -0.107
103 HG3 PRO 13 1HG PRO 13 -8.812 7.003 0.595
104 HD2 PRO 13 2HD PRO 13 -7.459 5.173 -0.823
105 HD3 PRO 13 1HD PRO 13 -6.731 5.976 0.584
106 H ASP 14 H ASP 14 -8.897 2.454 0.176
107 HA ASP 14 HA ASP 14 -11.369 1.237 0.922
108 HB2 ASP 14 2HB ASP 14 -9.274 0.284 -1.035
109 HB3 ASP 14 1HB ASP 14 -10.930 -0.297 -0.929
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -8.254 0.926 1.671
2 HA2 GLY 1 2HA GLY 1 -7.797 -0.109 3.796
3 HA3 GLY 1 1HA GLY 1 -9.112 -1.229 3.479
4 H ARG 2 H ARG 2 -6.281 -0.226 1.604
5 HA ARG 2 HA ARG 2 -5.218 -2.945 1.785
6 HB2 ARG 2 2HB ARG 2 -5.743 -1.458 -0.776
7 HB3 ARG 2 1HB ARG 2 -4.575 -2.755 -0.664
8 HG2 ARG 2 2HG ARG 2 -6.339 -4.318 -0.104
9 HG3 ARG 2 1HG ARG 2 -7.522 -3.005 -0.113
10 HD2 ARG 2 2HD ARG 2 -5.820 -3.799 -2.473
11 HD3 ARG 2 1HD ARG 2 -7.502 -4.284 -2.237
12 HE ARG 2 HE ARG 2 -7.912 -1.798 -2.089
13 HH11 ARG 2 1HH1 ARG 2 -5.351 -3.131 -4.214
14 HH12 ARG 2 2HH1 ARG 2 -5.512 -1.903 -5.372
15 HH21 ARG 2 1HH2 ARG 2 -8.063 -0.152 -3.646
16 HH22 ARG 2 2HH2 ARG 2 -7.105 -0.149 -5.077
17 H CYS 3 H CYS 3 -3.291 -2.567 2.744
18 HA CYS 3 HA CYS 3 -1.732 -0.332 1.713
19 HB2 CYS 3 2HB CYS 3 -1.502 -1.928 4.266
20 HB3 CYS 3 1HB CYS 3 -0.263 -0.813 3.705
21 H TYR 4 H TYR 4 -0.134 -0.711 0.425
22 HA TYR 4 HA TYR 4 0.708 -3.478 0.112
23 HB2 TYR 4 2HB TYR 4 0.845 -1.116 -1.768
24 HB3 TYR 4 1HB TYR 4 1.655 -2.646 -2.093
25 HD1 TYR 4 1HD TYR 4 0.411 -4.584 -2.777
26 HD2 TYR 4 2HD TYR 4 -1.629 -0.994 -1.768
27 HE1 TYR 4 1HE TYR 4 -1.641 -5.495 -3.739
28 HE2 TYR 4 2HE TYR 4 -3.700 -1.898 -2.734
29 HH TYR 4 HH TYR 4 -4.058 -5.168 -3.505
30 H LYS 5 H LYS 5 2.642 -4.065 0.589
31 HA LYS 5 HA LYS 5 4.260 -2.231 2.030
32 HB2 LYS 5 2HB LYS 5 5.770 -4.217 2.390
33 HB3 LYS 5 1HB LYS 5 4.132 -4.367 2.998
34 HG2 LYS 5 2HG LYS 5 3.563 -5.683 0.972
35 HG3 LYS 5 1HG LYS 5 5.269 -5.627 0.515
36 HD2 LYS 5 2HD LYS 5 5.884 -6.768 2.545
37 HD3 LYS 5 1HD LYS 5 4.222 -6.718 3.118
38 HE2 LYS 5 2HE LYS 5 3.571 -8.085 1.136
39 HE3 LYS 5 1HE LYS 5 5.282 -8.222 0.732
40 HZ1 LYS 5 1HZ LYS 5 5.653 -9.301 2.867
41 HZ2 LYS 5 2HZ LYS 5 4.504 -10.125 1.942
42 HZ3 LYS 5 3HZ LYS 5 4.003 -9.180 3.232
43 H SER 6 H SER 6 5.262 -0.812 1.016
44 HA SER 6 HA SER 6 7.414 -1.491 -0.744
45 HB2 SER 6 2HB SER 6 6.617 0.322 -2.316
46 HB3 SER 6 1HB SER 6 5.623 -1.133 -2.327
47 HG SER 6 HG SER 6 5.035 1.413 -1.258
48 H LYS 7 H LYS 7 8.579 0.815 -1.072
49 HA LYS 7 HA LYS 7 8.009 2.381 1.305
50 HB2 LYS 7 2HB LYS 7 10.462 2.924 1.455
51 HB3 LYS 7 1HB LYS 7 10.055 1.257 1.805
52 HG2 LYS 7 2HG LYS 7 10.778 0.658 -0.494
53 HG3 LYS 7 1HG LYS 7 11.282 2.332 -0.728
54 HD2 LYS 7 2HD LYS 7 12.830 2.136 1.149
55 HD3 LYS 7 1HD LYS 7 12.310 0.470 1.408
56 HE2 LYS 7 2HE LYS 7 13.107 -0.104 -0.846
57 HE3 LYS 7 1HE LYS 7 13.676 1.553 -1.046
58 HZ1 LYS 7 1HZ LYS 7 15.167 1.202 0.847
59 HZ2 LYS 7 2HZ LYS 7 15.464 0.104 -0.395
60 HZ3 LYS 7 3HZ LYS 7 14.622 -0.397 0.972
61 HA PRO 8 HA PRO 8 7.245 4.086 1.916
62 HB2 PRO 8 2HB PRO 8 5.195 5.785 1.467
63 HB3 PRO 8 1HB PRO 8 6.840 6.368 1.752
64 HG2 PRO 8 2HG PRO 8 5.381 6.010 -0.839
65 HG3 PRO 8 1HG PRO 8 6.380 7.374 -0.300
66 HD2 PRO 8 2HD PRO 8 7.298 5.428 -1.963
67 HD3 PRO 8 1HD PRO 8 8.347 6.303 -0.834
68 HA PRO 9 HA PRO 9 4.014 1.121 1.002
69 HB2 PRO 9 2HB PRO 9 2.539 1.854 3.419
70 HB3 PRO 9 1HB PRO 9 3.444 0.376 3.081
71 HG2 PRO 9 2HG PRO 9 4.280 2.202 4.895
72 HG3 PRO 9 1HG PRO 9 5.405 1.222 3.939
73 HD2 PRO 9 2HD PRO 9 4.539 4.061 3.520
74 HD3 PRO 9 1HD PRO 9 6.161 3.341 3.402
75 H ILE 10 H ILE 10 2.355 1.296 -0.339
76 HA ILE 10 HA ILE 10 0.848 3.774 -0.351
77 HB ILE 10 HB ILE 10 0.806 1.478 -2.342
78 HG12 ILE 10 2HG1 ILE 10 2.137 4.201 -2.477
79 HG13 ILE 10 1HG1 ILE 10 2.965 2.665 -2.276
80 HG21 ILE 10 1HG2 ILE 10 -0.403 3.044 -3.811
81 HG22 ILE 10 2HG2 ILE 10 -0.423 4.238 -2.514
82 HG23 ILE 10 3HG2 ILE 10 -1.307 2.725 -2.330
83 HD11 ILE 10 1HD1 ILE 10 2.198 1.985 -4.508
84 HD12 ILE 10 2HD1 ILE 10 3.157 3.464 -4.554
85 HD13 ILE 10 3HD1 ILE 10 1.399 3.545 -4.693
86 H CYS 11 H CYS 11 -0.922 3.897 0.773
87 HA CYS 11 HA CYS 11 -2.465 1.457 1.231
88 HB2 CYS 11 2HB CYS 11 -2.233 3.928 2.937
89 HB3 CYS 11 1HB CYS 11 -3.400 2.645 3.223
90 H PHE 12 H PHE 12 -4.081 1.341 -0.022
91 HA PHE 12 HA PHE 12 -5.333 3.674 -1.091
92 HB2 PHE 12 2HB PHE 12 -6.026 0.754 -1.380
93 HB3 PHE 12 1HB PHE 12 -6.916 2.047 -2.145
94 HD1 PHE 12 1HD PHE 12 -6.090 3.226 -4.023
95 HD2 PHE 12 2HD PHE 12 -3.713 0.254 -2.132
96 HE1 PHE 12 1HE PHE 12 -4.567 3.232 -5.943
97 HE2 PHE 12 2HE PHE 12 -2.183 0.256 -4.052
98 HZ PHE 12 HZ PHE 12 -2.610 1.750 -5.962
99 HA PRO 13 HA PRO 13 -8.138 4.639 2.158
100 HB2 PRO 13 2HB PRO 13 -9.986 5.047 -0.151
101 HB3 PRO 13 1HB PRO 13 -9.642 6.117 1.212
102 HG2 PRO 13 2HG PRO 13 -8.569 6.571 -1.179
103 HG3 PRO 13 1HG PRO 13 -7.645 6.843 0.306
104 HD2 PRO 13 2HD PRO 13 -7.367 4.627 -1.694
105 HD3 PRO 13 1HD PRO 13 -6.170 5.403 -0.634
106 H ASP 14 H ASP 14 -9.111 2.390 -0.362
107 HA ASP 14 HA ASP 14 -11.462 1.472 0.956
108 HB2 ASP 14 2HB ASP 14 -11.516 -0.393 -0.632
109 HB3 ASP 14 1HB ASP 14 -11.246 1.135 -1.456
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -8.155 0.444 2.170
2 HA2 GLY 1 2HA GLY 1 -7.548 -1.346 3.582
3 HA3 GLY 1 1HA GLY 1 -8.767 -2.344 2.796
4 H ARG 2 H ARG 2 -6.714 -0.407 0.849
5 HA ARG 2 HA ARG 2 -5.286 -2.838 -0.026
6 HB2 ARG 2 2HB ARG 2 -5.863 -0.386 -1.709
7 HB3 ARG 2 1HB ARG 2 -5.228 -1.925 -2.259
8 HG2 ARG 2 2HG ARG 2 -7.365 -2.994 -1.803
9 HG3 ARG 2 1HG ARG 2 -8.007 -1.472 -1.186
10 HD2 ARG 2 2HD ARG 2 -7.519 -0.466 -3.440
11 HD3 ARG 2 1HD ARG 2 -7.133 -2.095 -3.998
12 HE ARG 2 HE ARG 2 -9.712 -1.770 -2.749
13 HH11 ARG 2 1HH1 ARG 2 -7.951 -1.848 -5.820
14 HH12 ARG 2 2HH1 ARG 2 -9.337 -2.128 -6.766
15 HH21 ARG 2 1HH2 ARG 2 -11.612 -2.118 -4.048
16 HH22 ARG 2 2HH2 ARG 2 -11.473 -2.263 -5.734
17 H CYS 3 H CYS 3 -3.455 -2.513 1.294
18 HA CYS 3 HA CYS 3 -1.966 -0.070 0.715
19 HB2 CYS 3 2HB CYS 3 -2.290 -1.265 3.481
20 HB3 CYS 3 1HB CYS 3 -1.404 0.201 3.065
21 H TYR 4 H TYR 4 0.032 -0.416 0.163
22 HA TYR 4 HA TYR 4 1.037 -3.142 0.286
23 HB2 TYR 4 2HB TYR 4 2.020 -0.765 -1.306
24 HB3 TYR 4 1HB TYR 4 2.668 -2.400 -1.413
25 HD1 TYR 4 1HD TYR 4 0.162 -0.137 -2.618
26 HD2 TYR 4 2HD TYR 4 1.074 -4.264 -2.142
27 HE1 TYR 4 1HE TYR 4 -1.543 -0.701 -4.284
28 HE2 TYR 4 2HE TYR 4 -0.624 -4.836 -3.809
29 HH TYR 4 HH TYR 4 -2.768 -3.759 -4.730
30 H LYS 5 H LYS 5 3.052 -3.662 1.057
31 HA LYS 5 HA LYS 5 3.803 -2.107 3.400
32 HB2 LYS 5 2HB LYS 5 5.009 -4.716 2.476
33 HB3 LYS 5 1HB LYS 5 5.000 -4.053 4.103
34 HG2 LYS 5 2HG LYS 5 2.623 -5.106 2.580
35 HG3 LYS 5 1HG LYS 5 3.436 -5.894 3.928
36 HD2 LYS 5 2HD LYS 5 2.723 -4.158 5.435
37 HD3 LYS 5 1HD LYS 5 2.079 -3.210 4.094
38 HE2 LYS 5 2HE LYS 5 1.076 -5.926 4.948
39 HE3 LYS 5 1HE LYS 5 0.317 -4.388 5.344
40 HZ1 LYS 5 1HZ LYS 5 0.640 -5.481 2.583
41 HZ2 LYS 5 2HZ LYS 5 -0.092 -4.017 2.969
42 HZ3 LYS 5 3HZ LYS 5 -0.761 -5.438 3.498
43 H SER 6 H SER 6 4.903 -2.692 0.225
44 HA SER 6 HA SER 6 7.632 -2.178 0.434
45 HB2 SER 6 2HB SER 6 7.221 -1.517 -2.016
46 HB3 SER 6 1HB SER 6 6.815 -3.171 -1.539
47 HG SER 6 HG SER 6 4.987 -1.012 -1.576
48 H LYS 7 H LYS 7 8.771 -0.191 0.105
49 HA LYS 7 HA LYS 7 7.227 2.113 1.009
50 HB2 LYS 7 2HB LYS 7 10.210 1.629 0.973
51 HB3 LYS 7 1HB LYS 7 9.420 3.055 1.627
52 HG2 LYS 7 2HG LYS 7 9.069 0.238 2.656
53 HG3 LYS 7 1HG LYS 7 10.087 1.478 3.390
54 HD2 LYS 7 2HD LYS 7 8.084 2.885 3.718
55 HD3 LYS 7 1HD LYS 7 7.096 1.601 3.028
56 HE2 LYS 7 2HE LYS 7 8.807 1.302 5.486
57 HE3 LYS 7 1HE LYS 7 7.081 1.660 5.513
58 HZ1 LYS 7 1HZ LYS 7 7.511 -0.690 5.835
59 HZ2 LYS 7 2HZ LYS 7 8.316 -0.793 4.364
60 HZ3 LYS 7 3HZ LYS 7 6.672 -0.453 4.406
61 HA PRO 8 HA PRO 8 7.276 4.373 1.037
62 HB2 PRO 8 2HB PRO 8 5.510 5.769 -0.878
63 HB3 PRO 8 1HB PRO 8 6.622 6.456 0.310
64 HG2 PRO 8 2HG PRO 8 7.153 6.587 -2.307
65 HG3 PRO 8 1HG PRO 8 8.441 6.324 -1.117
66 HD2 PRO 8 2HD PRO 8 7.028 4.317 -2.842
67 HD3 PRO 8 1HD PRO 8 8.771 4.504 -2.547
68 HA PRO 9 HA PRO 9 3.799 1.634 1.241
69 HB2 PRO 9 2HB PRO 9 2.575 3.140 3.394
70 HB3 PRO 9 1HB PRO 9 3.399 1.582 3.474
71 HG2 PRO 9 2HG PRO 9 4.380 3.907 4.549
72 HG3 PRO 9 1HG PRO 9 5.380 2.530 4.069
73 HD2 PRO 9 2HD PRO 9 4.917 5.118 2.671
74 HD3 PRO 9 1HD PRO 9 6.370 4.099 2.739
75 H ILE 10 H ILE 10 2.596 1.961 -0.517
76 HA ILE 10 HA ILE 10 0.844 4.234 -0.771
77 HB ILE 10 HB ILE 10 1.033 1.701 -2.450
78 HG12 ILE 10 2HG1 ILE 10 2.172 4.458 -2.974
79 HG13 ILE 10 1HG1 ILE 10 3.106 3.066 -2.449
80 HG21 ILE 10 1HG2 ILE 10 -0.338 4.329 -3.037
81 HG22 ILE 10 2HG2 ILE 10 -1.146 2.804 -2.668
82 HG23 ILE 10 3HG2 ILE 10 -0.206 2.968 -4.153
83 HD11 ILE 10 1HD1 ILE 10 3.362 3.460 -4.834
84 HD12 ILE 10 2HD1 ILE 10 1.617 3.321 -5.057
85 HD13 ILE 10 3HD1 ILE 10 2.554 1.919 -4.541
86 H CYS 11 H CYS 11 -0.902 4.292 0.456
87 HA CYS 11 HA CYS 11 -2.308 1.789 1.016
88 HB2 CYS 11 2HB CYS 11 -0.953 2.457 2.946
89 HB3 CYS 11 1HB CYS 11 -1.725 4.031 2.951
90 H PHE 12 H PHE 12 -4.106 1.914 -0.061
91 HA PHE 12 HA PHE 12 -5.545 4.427 -0.296
92 HB2 PHE 12 2HB PHE 12 -6.159 1.691 -1.458
93 HB3 PHE 12 1HB PHE 12 -7.060 3.159 -1.791
94 HD1 PHE 12 1HD PHE 12 -4.345 1.088 -2.791
95 HD2 PHE 12 2HD PHE 12 -5.793 5.089 -2.899
96 HE1 PHE 12 1HE PHE 12 -2.866 1.573 -4.694
97 HE2 PHE 12 2HE PHE 12 -4.313 5.578 -4.797
98 HZ PHE 12 HZ PHE 12 -2.852 3.824 -5.698
99 HA PRO 13 HA PRO 13 -8.007 3.500 3.332
100 HB2 PRO 13 2HB PRO 13 -10.124 5.131 2.766
101 HB3 PRO 13 1HB PRO 13 -8.570 5.715 3.369
102 HG2 PRO 13 2HG PRO 13 -9.582 5.597 0.551
103 HG3 PRO 13 1HG PRO 13 -8.763 6.931 1.384
104 HD2 PRO 13 2HD PRO 13 -7.440 5.336 -0.287
105 HD3 PRO 13 1HD PRO 13 -6.677 5.921 1.210
106 H ASP 14 H ASP 14 -8.445 1.919 0.789
107 HA ASP 14 HA ASP 14 -11.235 1.052 1.176
108 HB2 ASP 14 2HB ASP 14 -10.601 1.639 -1.147
109 HB3 ASP 14 1HB ASP 14 -9.292 0.470 -1.084
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -8.040 0.534 1.714
2 HA2 GLY 1 2HA GLY 1 -7.622 -1.226 3.289
3 HA3 GLY 1 1HA GLY 1 -8.924 -2.149 2.546
4 H ARG 2 H ARG 2 -6.727 -0.388 0.592
5 HA ARG 2 HA ARG 2 -5.454 -2.907 -0.220
6 HB2 ARG 2 2HB ARG 2 -5.926 -0.465 -1.961
7 HB3 ARG 2 1HB ARG 2 -5.292 -2.022 -2.481
8 HG2 ARG 2 2HG ARG 2 -7.437 -3.072 -1.982
9 HG3 ARG 2 1HG ARG 2 -8.071 -1.524 -1.433
10 HD2 ARG 2 2HD ARG 2 -7.640 -0.623 -3.717
11 HD3 ARG 2 1HD ARG 2 -7.205 -2.262 -4.226
12 HE ARG 2 HE ARG 2 -9.788 -1.819 -2.957
13 HH11 ARG 2 1HH1 ARG 2 -8.039 -2.411 -6.006
14 HH12 ARG 2 2HH1 ARG 2 -9.419 -2.940 -6.845
15 HH21 ARG 2 1HH2 ARG 2 -11.640 -2.577 -4.114
16 HH22 ARG 2 2HH2 ARG 2 -11.527 -3.048 -5.743
17 H CYS 3 H CYS 3 -3.735 -2.676 1.177
18 HA CYS 3 HA CYS 3 -2.069 -0.334 0.713
19 HB2 CYS 3 2HB CYS 3 -2.586 -1.647 3.390
20 HB3 CYS 3 1HB CYS 3 -1.500 -0.287 3.099
21 H TYR 4 H TYR 4 -0.095 -0.734 0.219
22 HA TYR 4 HA TYR 4 0.801 -3.514 0.248
23 HB2 TYR 4 2HB TYR 4 1.828 -1.172 -1.377
24 HB3 TYR 4 1HB TYR 4 2.244 -2.868 -1.594
25 HD1 TYR 4 1HD TYR 4 -0.220 -0.271 -2.254
26 HD2 TYR 4 2HD TYR 4 0.575 -4.441 -2.536
27 HE1 TYR 4 1HE TYR 4 -2.109 -0.518 -3.788
28 HE2 TYR 4 2HE TYR 4 -1.308 -4.697 -4.073
29 HH TYR 4 HH TYR 4 -3.378 -3.557 -4.613
30 H LYS 5 H LYS 5 2.381 -4.005 1.617
31 HA LYS 5 HA LYS 5 3.619 -1.900 3.136
32 HB2 LYS 5 2HB LYS 5 3.960 -4.901 3.317
33 HB3 LYS 5 1HB LYS 5 4.706 -3.750 4.410
34 HG2 LYS 5 2HG LYS 5 2.461 -2.998 5.106
35 HG3 LYS 5 1HG LYS 5 1.753 -4.224 4.057
36 HD2 LYS 5 2HD LYS 5 2.917 -5.970 5.342
37 HD3 LYS 5 1HD LYS 5 3.596 -4.731 6.395
38 HE2 LYS 5 2HE LYS 5 1.688 -5.722 7.491
39 HE3 LYS 5 1HE LYS 5 1.293 -4.073 7.026
40 HZ1 LYS 5 1HZ LYS 5 0.473 -6.513 5.538
41 HZ2 LYS 5 2HZ LYS 5 0.061 -4.941 5.121
42 HZ3 LYS 5 3HZ LYS 5 -0.512 -5.608 6.538
43 H SER 6 H SER 6 4.682 -0.930 1.433
44 HA SER 6 HA SER 6 7.368 -1.885 1.103
45 HB2 SER 6 2HB SER 6 5.566 -1.268 -1.262
46 HB3 SER 6 1HB SER 6 7.315 -1.515 -1.372
47 HG SER 6 HG SER 6 6.037 -3.460 0.004
48 H LYS 7 H LYS 7 8.426 0.044 -0.416
49 HA LYS 7 HA LYS 7 7.542 2.546 0.850
50 HB2 LYS 7 2HB LYS 7 10.369 1.625 0.265
51 HB3 LYS 7 1HB LYS 7 9.909 3.120 1.069
52 HG2 LYS 7 2HG LYS 7 9.059 1.927 2.955
53 HG3 LYS 7 1HG LYS 7 9.266 0.389 2.128
54 HD2 LYS 7 2HD LYS 7 11.705 0.769 2.104
55 HD3 LYS 7 1HD LYS 7 11.451 2.257 3.029
56 HE2 LYS 7 2HE LYS 7 10.435 0.990 4.832
57 HE3 LYS 7 1HE LYS 7 10.600 -0.497 3.906
58 HZ1 LYS 7 1HZ LYS 7 12.839 1.179 4.891
59 HZ2 LYS 7 2HZ LYS 7 12.995 -0.268 4.027
60 HZ3 LYS 7 3HZ LYS 7 12.312 -0.275 5.559
61 HA PRO 8 HA PRO 8 7.391 4.748 0.441
62 HB2 PRO 8 2HB PRO 8 5.373 5.677 -1.497
63 HB3 PRO 8 1HB PRO 8 6.518 6.630 -0.552
64 HG2 PRO 8 2HG PRO 8 6.827 6.345 -3.179
65 HG3 PRO 8 1HG PRO 8 8.226 6.334 -2.090
66 HD2 PRO 8 2HD PRO 8 6.799 4.009 -3.342
67 HD3 PRO 8 1HD PRO 8 8.544 4.324 -3.228
68 HA PRO 9 HA PRO 9 4.016 2.214 1.689
69 HB2 PRO 9 2HB PRO 9 2.778 3.877 3.473
70 HB3 PRO 9 1HB PRO 9 4.262 2.984 3.822
71 HG2 PRO 9 2HG PRO 9 3.909 5.839 3.036
72 HG3 PRO 9 1HG PRO 9 5.023 5.134 4.220
73 HD2 PRO 9 2HD PRO 9 5.804 5.878 1.731
74 HD3 PRO 9 1HD PRO 9 6.551 4.528 2.608
75 H ILE 10 H ILE 10 2.854 2.078 -0.184
76 HA ILE 10 HA ILE 10 0.847 4.071 -0.786
77 HB ILE 10 HB ILE 10 1.380 1.388 -2.121
78 HG12 ILE 10 2HG1 ILE 10 2.203 4.178 -2.970
79 HG13 ILE 10 1HG1 ILE 10 3.280 2.966 -2.296
80 HG21 ILE 10 1HG2 ILE 10 0.030 2.289 -3.971
81 HG22 ILE 10 2HG2 ILE 10 -0.284 3.745 -3.031
82 HG23 ILE 10 3HG2 ILE 10 -0.908 2.192 -2.480
83 HD11 ILE 10 1HD1 ILE 10 3.508 3.112 -4.703
84 HD12 ILE 10 2HD1 ILE 10 1.794 2.763 -4.903
85 HD13 ILE 10 3HD1 ILE 10 2.871 1.535 -4.237
86 H CYS 11 H CYS 11 -0.818 4.061 0.565
87 HA CYS 11 HA CYS 11 -2.116 1.517 1.119
88 HB2 CYS 11 2HB CYS 11 -0.771 2.068 3.074
89 HB3 CYS 11 1HB CYS 11 -1.491 3.666 3.139
90 H PHE 12 H PHE 12 -3.934 1.699 0.046
91 HA PHE 12 HA PHE 12 -5.319 4.229 -0.025
92 HB2 PHE 12 2HB PHE 12 -5.997 1.560 -1.284
93 HB3 PHE 12 1HB PHE 12 -6.921 3.036 -1.507
94 HD1 PHE 12 1HD PHE 12 -4.143 1.089 -2.646
95 HD2 PHE 12 2HD PHE 12 -5.778 5.010 -2.580
96 HE1 PHE 12 1HE PHE 12 -2.713 1.713 -4.543
97 HE2 PHE 12 2HE PHE 12 -4.358 5.643 -4.468
98 HZ PHE 12 HZ PHE 12 -2.815 3.994 -5.460
99 HA PRO 13 HA PRO 13 -7.659 3.277 3.583
100 HB2 PRO 13 2HB PRO 13 -9.801 4.949 3.094
101 HB3 PRO 13 1HB PRO 13 -8.262 5.470 3.780
102 HG2 PRO 13 2HG PRO 13 -9.239 5.648 0.969
103 HG3 PRO 13 1HG PRO 13 -8.289 6.816 1.900
104 HD2 PRO 13 2HD PRO 13 -7.185 5.195 0.039
105 HD3 PRO 13 1HD PRO 13 -6.308 5.703 1.494
106 H ASP 14 H ASP 14 -8.672 2.589 0.474
107 HA ASP 14 HA ASP 14 -11.225 1.397 0.943
108 HB2 ASP 14 2HB ASP 14 -10.365 1.973 -1.320
109 HB3 ASP 14 1HB ASP 14 -9.160 0.703 -1.164
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -8.079 0.765 1.672
2 HA2 GLY 1 2HA GLY 1 -7.227 0.013 3.842
3 HA3 GLY 1 1HA GLY 1 -8.390 -1.310 3.745
4 H ARG 2 H ARG 2 -6.472 -0.071 1.091
5 HA ARG 2 HA ARG 2 -5.299 -2.764 0.832
6 HB2 ARG 2 2HB ARG 2 -5.031 -0.693 -1.301
7 HB3 ARG 2 1HB ARG 2 -5.087 -2.428 -1.455
8 HG2 ARG 2 2HG ARG 2 -7.500 -2.399 -1.130
9 HG3 ARG 2 1HG ARG 2 -7.452 -0.640 -0.923
10 HD2 ARG 2 2HD ARG 2 -6.195 -0.677 -3.198
11 HD3 ARG 2 1HD ARG 2 -6.917 -2.274 -3.368
12 HE ARG 2 HE ARG 2 -9.052 -0.776 -2.801
13 HH11 ARG 2 1HH1 ARG 2 -6.471 -0.365 -5.199
14 HH12 ARG 2 2HH1 ARG 2 -7.420 0.640 -6.210
15 HH21 ARG 2 1HH2 ARG 2 -10.262 0.595 -4.147
16 HH22 ARG 2 2HH2 ARG 2 -9.628 1.165 -5.643
17 H CYS 3 H CYS 3 -3.473 -2.508 2.171
18 HA CYS 3 HA CYS 3 -1.748 -0.265 1.447
19 HB2 CYS 3 2HB CYS 3 -1.871 -1.896 3.982
20 HB3 CYS 3 1HB CYS 3 -0.592 -0.741 3.622
21 H TYR 4 H TYR 4 0.025 -0.642 0.414
22 HA TYR 4 HA TYR 4 0.793 -3.423 0.120
23 HB2 TYR 4 2HB TYR 4 1.507 -0.993 -1.496
24 HB3 TYR 4 1HB TYR 4 2.306 -2.545 -1.707
25 HD1 TYR 4 1HD TYR 4 -0.456 -0.532 -2.665
26 HD2 TYR 4 2HD TYR 4 0.793 -4.566 -2.208
27 HE1 TYR 4 1HE TYR 4 -2.240 -1.258 -4.190
28 HE2 TYR 4 2HE TYR 4 -0.972 -5.300 -3.725
29 HH TYR 4 HH TYR 4 -2.595 -3.283 -5.738
30 H LYS 5 H LYS 5 2.796 -4.150 0.446
31 HA LYS 5 HA LYS 5 4.395 -2.720 2.369
32 HB2 LYS 5 2HB LYS 5 4.692 -5.451 1.102
33 HB3 LYS 5 1HB LYS 5 5.733 -4.819 2.369
34 HG2 LYS 5 2HG LYS 5 3.949 -4.822 3.943
35 HG3 LYS 5 1HG LYS 5 2.764 -5.164 2.681
36 HD2 LYS 5 2HD LYS 5 3.818 -7.348 2.300
37 HD3 LYS 5 1HD LYS 5 4.987 -6.998 3.575
38 HE2 LYS 5 2HE LYS 5 3.253 -6.939 5.226
39 HE3 LYS 5 1HE LYS 5 2.004 -7.070 3.994
40 HZ1 LYS 5 1HZ LYS 5 4.035 -9.157 4.589
41 HZ2 LYS 5 2HZ LYS 5 2.768 -9.274 3.469
42 HZ3 LYS 5 3HZ LYS 5 2.427 -9.188 5.096
43 H SER 6 H SER 6 5.098 -1.050 1.147
44 HA SER 6 HA SER 6 7.202 -1.613 -0.774
45 HB2 SER 6 2HB SER 6 4.902 0.313 -1.262
46 HB3 SER 6 1HB SER 6 6.257 0.007 -2.347
47 HG SER 6 HG SER 6 5.312 -2.316 -1.937
48 H LYS 7 H LYS 7 8.269 0.658 -1.204
49 HA LYS 7 HA LYS 7 7.975 2.298 1.187
50 HB2 LYS 7 2HB LYS 7 10.113 1.068 1.188
51 HB3 LYS 7 1HB LYS 7 10.511 1.771 -0.375
52 HG2 LYS 7 2HG LYS 7 10.539 3.986 0.601
53 HG3 LYS 7 1HG LYS 7 10.067 3.311 2.161
54 HD2 LYS 7 2HD LYS 7 12.137 2.019 2.223
55 HD3 LYS 7 1HD LYS 7 12.607 2.703 0.666
56 HE2 LYS 7 2HE LYS 7 13.693 3.872 2.512
57 HE3 LYS 7 1HE LYS 7 12.599 4.931 1.623
58 HZ1 LYS 7 1HZ LYS 7 11.979 3.617 4.219
59 HZ2 LYS 7 2HZ LYS 7 10.958 4.654 3.350
60 HZ3 LYS 7 3HZ LYS 7 12.398 5.236 3.982
61 HA PRO 8 HA PRO 8 7.267 4.053 1.803
62 HB2 PRO 8 2HB PRO 8 5.172 5.733 1.532
63 HB3 PRO 8 1HB PRO 8 6.835 6.334 1.549
64 HG2 PRO 8 2HG PRO 8 5.066 5.754 -0.798
65 HG3 PRO 8 1HG PRO 8 6.036 7.202 -0.470
66 HD2 PRO 8 2HD PRO 8 6.901 5.264 -2.121
67 HD3 PRO 8 1HD PRO 8 8.016 6.165 -1.076
68 HA PRO 9 HA PRO 9 3.893 1.134 1.441
69 HB2 PRO 9 2HB PRO 9 2.646 2.057 3.917
70 HB3 PRO 9 1HB PRO 9 3.498 0.543 3.612
71 HG2 PRO 9 2HG PRO 9 4.500 2.494 5.212
72 HG3 PRO 9 1HG PRO 9 5.523 1.392 4.276
73 HD2 PRO 9 2HD PRO 9 4.747 4.221 3.680
74 HD3 PRO 9 1HD PRO 9 6.316 3.412 3.476
75 H ILE 10 H ILE 10 2.658 1.807 -0.189
76 HA ILE 10 HA ILE 10 0.969 4.115 0.022
77 HB ILE 10 HB ILE 10 1.192 2.048 -2.189
78 HG12 ILE 10 2HG1 ILE 10 2.418 4.809 -1.949
79 HG13 ILE 10 1HG1 ILE 10 3.285 3.294 -1.745
80 HG21 ILE 10 1HG2 ILE 10 -0.106 4.782 -2.191
81 HG22 ILE 10 2HG2 ILE 10 -0.953 3.237 -2.256
82 HG23 ILE 10 3HG2 ILE 10 0.079 3.735 -3.598
83 HD11 ILE 10 1HD1 ILE 10 1.952 4.249 -4.263
84 HD12 ILE 10 2HD1 ILE 10 2.831 2.732 -4.071
85 HD13 ILE 10 3HD1 ILE 10 3.684 4.271 -3.929
86 H CYS 11 H CYS 11 -1.037 4.127 0.713
87 HA CYS 11 HA CYS 11 -2.463 1.600 0.870
88 HB2 CYS 11 2HB CYS 11 -2.567 3.993 2.713
89 HB3 CYS 11 1HB CYS 11 -3.722 2.668 2.766
90 H PHE 12 H PHE 12 -4.371 1.510 0.032
91 HA PHE 12 HA PHE 12 -5.495 3.918 -1.188
92 HB2 PHE 12 2HB PHE 12 -6.117 0.997 -1.721
93 HB3 PHE 12 1HB PHE 12 -6.905 2.346 -2.500
94 HD1 PHE 12 1HD PHE 12 -6.095 3.196 -4.489
95 HD2 PHE 12 2HD PHE 12 -3.532 0.795 -2.084
96 HE1 PHE 12 1HE PHE 12 -4.429 3.170 -6.292
97 HE2 PHE 12 2HE PHE 12 -1.863 0.778 -3.888
98 HZ PHE 12 HZ PHE 12 -2.310 1.952 -5.988
99 HA PRO 13 HA PRO 13 -8.369 4.675 2.052
100 HB2 PRO 13 2HB PRO 13 -10.240 4.604 -0.271
101 HB3 PRO 13 1HB PRO 13 -10.190 5.727 1.092
102 HG2 PRO 13 2HG PRO 13 -9.071 6.377 -1.239
103 HG3 PRO 13 1HG PRO 13 -8.325 6.831 0.298
104 HD2 PRO 13 2HD PRO 13 -7.428 4.840 -1.689
105 HD3 PRO 13 1HD PRO 13 -6.514 5.663 -0.409
106 H ASP 14 H ASP 14 -9.279 2.079 -0.174
107 HA ASP 14 HA ASP 14 -11.455 1.044 1.354
108 HB2 ASP 14 2HB ASP 14 -9.644 -0.462 -0.552
109 HB3 ASP 14 1HB ASP 14 -11.146 -1.082 0.111
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -8.257 0.616 1.503
2 HA2 GLY 1 2HA GLY 1 -8.507 -1.007 3.364
3 HA3 GLY 1 1HA GLY 1 -9.495 -1.960 2.270
4 H ARG 2 H ARG 2 -7.391 -1.003 0.186
5 HA ARG 2 HA ARG 2 -5.657 -3.313 0.561
6 HB2 ARG 2 2HB ARG 2 -5.995 -1.390 -1.727
7 HB3 ARG 2 1HB ARG 2 -4.869 -2.735 -1.726
8 HG2 ARG 2 2HG ARG 2 -6.664 -4.311 -1.647
9 HG3 ARG 2 1HG ARG 2 -7.847 -3.014 -1.433
10 HD2 ARG 2 2HD ARG 2 -7.272 -2.106 -3.599
11 HD3 ARG 2 1HD ARG 2 -6.049 -3.354 -3.822
12 HE ARG 2 HE ARG 2 -7.743 -4.933 -4.063
13 HH11 ARG 2 1HH1 ARG 2 -9.086 -1.680 -3.629
14 HH12 ARG 2 2HH1 ARG 2 -10.450 -1.946 -4.611
15 HH21 ARG 2 1HH2 ARG 2 -9.683 -5.329 -5.361
16 HH22 ARG 2 2HH2 ARG 2 -10.818 -4.088 -5.600
17 H CYS 3 H CYS 3 -3.765 -3.006 1.598
18 HA CYS 3 HA CYS 3 -2.338 -0.563 0.999
19 HB2 CYS 3 2HB CYS 3 -2.635 -1.735 3.783
20 HB3 CYS 3 1HB CYS 3 -1.659 -0.333 3.360
21 H TYR 4 H TYR 4 -0.262 -0.879 0.605
22 HA TYR 4 HA TYR 4 0.781 -3.574 1.021
23 HB2 TYR 4 2HB TYR 4 0.167 -3.412 -1.305
24 HB3 TYR 4 1HB TYR 4 0.944 -1.843 -1.450
25 HD1 TYR 4 1HD TYR 4 1.951 -5.273 -0.322
26 HD2 TYR 4 2HD TYR 4 2.870 -1.870 -2.681
27 HE1 TYR 4 1HE TYR 4 4.009 -6.359 -1.080
28 HE2 TYR 4 2HE TYR 4 4.917 -2.940 -3.448
29 HH TYR 4 HH TYR 4 6.485 -4.697 -2.667
30 H LYS 5 H LYS 5 2.722 -3.671 1.902
31 HA LYS 5 HA LYS 5 3.957 -1.215 2.718
32 HB2 LYS 5 2HB LYS 5 4.704 -4.089 3.295
33 HB3 LYS 5 1HB LYS 5 5.481 -2.682 4.011
34 HG2 LYS 5 2HG LYS 5 3.385 -2.028 5.055
35 HG3 LYS 5 1HG LYS 5 2.572 -3.409 4.315
36 HD2 LYS 5 2HD LYS 5 4.017 -4.928 5.565
37 HD3 LYS 5 1HD LYS 5 4.864 -3.553 6.274
38 HE2 LYS 5 2HE LYS 5 3.245 -4.426 7.846
39 HE3 LYS 5 1HE LYS 5 2.766 -2.816 7.324
40 HZ1 LYS 5 1HZ LYS 5 1.148 -3.869 5.800
41 HZ2 LYS 5 2HZ LYS 5 0.882 -4.322 7.399
42 HZ3 LYS 5 3HZ LYS 5 1.635 -5.384 6.349
43 H SER 6 H SER 6 4.802 -0.296 1.057
44 HA SER 6 HA SER 6 6.912 -1.645 -0.460
45 HB2 SER 6 2HB SER 6 4.855 -1.210 -1.791
46 HB3 SER 6 1HB SER 6 4.938 0.490 -1.348
47 HG SER 6 HG SER 6 6.579 -1.007 -3.070
48 H LYS 7 H LYS 7 8.111 0.406 -1.563
49 HA LYS 7 HA LYS 7 8.553 2.437 0.500
50 HB2 LYS 7 2HB LYS 7 10.580 1.299 -1.455
51 HB3 LYS 7 1HB LYS 7 10.894 2.569 -0.283
52 HG2 LYS 7 2HG LYS 7 10.503 1.005 1.538
53 HG3 LYS 7 1HG LYS 7 10.140 -0.270 0.381
54 HD2 LYS 7 2HD LYS 7 12.423 -0.041 -0.534
55 HD3 LYS 7 1HD LYS 7 12.772 1.170 0.700
56 HE2 LYS 7 2HE LYS 7 12.289 -0.490 2.443
57 HE3 LYS 7 1HE LYS 7 11.986 -1.698 1.199
58 HZ1 LYS 7 1HZ LYS 7 14.208 -1.922 2.062
59 HZ2 LYS 7 2HZ LYS 7 14.575 -0.324 1.702
60 HZ3 LYS 7 3HZ LYS 7 14.271 -1.424 0.458
61 HA PRO 8 HA PRO 8 7.831 4.264 0.808
62 HB2 PRO 8 2HB PRO 8 5.850 6.038 0.465
63 HB3 PRO 8 1HB PRO 8 7.538 6.483 0.186
64 HG2 PRO 8 2HG PRO 8 5.441 5.691 -1.805
65 HG3 PRO 8 1HG PRO 8 6.575 7.054 -1.871
66 HD2 PRO 8 2HD PRO 8 7.015 4.735 -3.187
67 HD3 PRO 8 1HD PRO 8 8.334 5.726 -2.532
68 HA PRO 9 HA PRO 9 4.371 1.546 1.599
69 HB2 PRO 9 2HB PRO 9 3.467 3.466 3.672
70 HB3 PRO 9 1HB PRO 9 3.889 1.757 3.832
71 HG2 PRO 9 2HG PRO 9 5.522 3.646 4.752
72 HG3 PRO 9 1HG PRO 9 6.159 2.191 3.959
73 HD2 PRO 9 2HD PRO 9 5.840 4.960 2.865
74 HD3 PRO 9 1HD PRO 9 7.180 3.809 2.666
75 H ILE 10 H ILE 10 2.407 1.347 0.693
76 HA ILE 10 HA ILE 10 0.966 3.809 0.136
77 HB ILE 10 HB ILE 10 0.160 2.712 -1.987
78 HG12 ILE 10 2HG1 ILE 10 2.438 0.776 -1.439
79 HG13 ILE 10 1HG1 ILE 10 0.726 0.374 -1.384
80 HG21 ILE 10 1HG2 ILE 10 1.868 4.439 -2.027
81 HG22 ILE 10 2HG2 ILE 10 2.211 3.220 -3.256
82 HG23 ILE 10 3HG2 ILE 10 3.122 3.232 -1.748
83 HD11 ILE 10 1HD1 ILE 10 0.547 0.880 -3.766
84 HD12 ILE 10 2HD1 ILE 10 1.726 -0.390 -3.454
85 HD13 ILE 10 3HD1 ILE 10 2.268 1.255 -3.808
86 H CYS 11 H CYS 11 -0.688 3.822 1.444
87 HA CYS 11 HA CYS 11 -2.195 1.339 1.748
88 HB2 CYS 11 2HB CYS 11 -1.062 2.227 3.813
89 HB3 CYS 11 1HB CYS 11 -2.057 3.666 3.673
90 H PHE 12 H PHE 12 -3.990 1.396 0.658
91 HA PHE 12 HA PHE 12 -5.007 3.940 -0.218
92 HB2 PHE 12 2HB PHE 12 -5.697 1.121 -1.076
93 HB3 PHE 12 1HB PHE 12 -6.306 2.591 -1.819
94 HD1 PHE 12 1HD PHE 12 -3.439 0.370 -1.476
95 HD2 PHE 12 2HD PHE 12 -4.871 3.969 -3.199
96 HE1 PHE 12 1HE PHE 12 -1.495 0.410 -2.981
97 HE2 PHE 12 2HE PHE 12 -2.930 4.025 -4.710
98 HZ PHE 12 HZ PHE 12 -1.240 2.246 -4.602
99 HA PRO 13 HA PRO 13 -8.052 3.976 2.928
100 HB2 PRO 13 2HB PRO 13 -9.957 5.460 1.554
101 HB3 PRO 13 1HB PRO 13 -8.599 6.126 2.465
102 HG2 PRO 13 2HG PRO 13 -8.870 5.659 -0.464
103 HG3 PRO 13 1HG PRO 13 -8.093 6.999 0.389
104 HD2 PRO 13 2HD PRO 13 -6.666 5.029 -0.737
105 HD3 PRO 13 1HD PRO 13 -6.154 5.794 0.781
106 H ASP 14 H ASP 14 -8.615 2.546 -0.129
107 HA ASP 14 HA ASP 14 -11.282 1.668 0.461
108 HB2 ASP 14 2HB ASP 14 -11.196 0.345 -1.595
109 HB3 ASP 14 1HB ASP 14 -10.638 1.981 -1.890
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -7.974 0.744 1.988
2 HA2 GLY 1 2HA GLY 1 -7.162 -0.176 4.075
3 HA3 GLY 1 1HA GLY 1 -8.384 -1.445 3.921
4 H ARG 2 H ARG 2 -6.234 -0.099 1.548
5 HA ARG 2 HA ARG 2 -5.117 -2.782 1.170
6 HB2 ARG 2 2HB ARG 2 -6.856 -2.183 -0.509
7 HB3 ARG 2 1HB ARG 2 -5.879 -0.806 -0.970
8 HG2 ARG 2 2HG ARG 2 -4.118 -2.295 -1.738
9 HG3 ARG 2 1HG ARG 2 -5.078 -3.697 -1.251
10 HD2 ARG 2 2HD ARG 2 -5.790 -1.634 -3.336
11 HD3 ARG 2 1HD ARG 2 -5.385 -3.327 -3.618
12 HE ARG 2 HE ARG 2 -7.473 -3.602 -2.036
13 HH11 ARG 2 1HH1 ARG 2 -7.053 -1.468 -4.824
14 HH12 ARG 2 2HH1 ARG 2 -8.704 -1.410 -5.235
15 HH21 ARG 2 1HH2 ARG 2 -9.816 -3.512 -2.600
16 HH22 ARG 2 2HH2 ARG 2 -10.290 -2.595 -3.946
17 H CYS 3 H CYS 3 -3.221 -2.308 2.185
18 HA CYS 3 HA CYS 3 -1.660 -0.093 1.113
19 HB2 CYS 3 2HB CYS 3 -1.410 -1.635 3.691
20 HB3 CYS 3 1HB CYS 3 -0.172 -0.532 3.107
21 H TYR 4 H TYR 4 -0.061 -0.483 -0.140
22 HA TYR 4 HA TYR 4 0.806 -3.212 -0.544
23 HB2 TYR 4 2HB TYR 4 1.456 -0.642 -2.005
24 HB3 TYR 4 1HB TYR 4 2.118 -2.219 -2.435
25 HD1 TYR 4 1HD TYR 4 -0.921 -0.147 -2.385
26 HD2 TYR 4 2HD TYR 4 0.752 -3.895 -3.481
27 HE1 TYR 4 1HE TYR 4 -2.921 -0.649 -3.709
28 HE2 TYR 4 2HE TYR 4 -1.235 -4.393 -4.809
29 HH TYR 4 HH TYR 4 -3.514 -2.111 -5.647
30 H LYS 5 H LYS 5 2.277 -3.938 0.738
31 HA LYS 5 HA LYS 5 3.849 -2.284 2.387
32 HB2 LYS 5 2HB LYS 5 4.040 -5.244 1.876
33 HB3 LYS 5 1HB LYS 5 4.992 -4.389 3.078
34 HG2 LYS 5 2HG LYS 5 1.992 -4.660 3.029
35 HG3 LYS 5 1HG LYS 5 3.108 -5.494 4.111
36 HD2 LYS 5 2HD LYS 5 3.838 -3.196 4.916
37 HD3 LYS 5 1HD LYS 5 2.474 -2.547 4.012
38 HE2 LYS 5 2HE LYS 5 1.848 -2.847 6.338
39 HE3 LYS 5 1HE LYS 5 0.947 -3.963 5.320
40 HZ1 LYS 5 1HZ LYS 5 1.831 -5.019 7.345
41 HZ2 LYS 5 2HZ LYS 5 3.395 -4.702 6.842
42 HZ3 LYS 5 3HZ LYS 5 2.413 -5.730 5.947
43 H SER 6 H SER 6 4.991 -0.957 1.228
44 HA SER 6 HA SER 6 7.573 -1.853 0.362
45 HB2 SER 6 2HB SER 6 5.696 -0.201 -1.375
46 HB3 SER 6 1HB SER 6 7.384 -0.531 -1.757
47 HG SER 6 HG SER 6 6.081 -2.793 -1.186
48 H LYS 7 H LYS 7 8.756 0.459 -0.105
49 HA LYS 7 HA LYS 7 7.612 2.357 1.793
50 HB2 LYS 7 2HB LYS 7 10.548 1.706 1.429
51 HB3 LYS 7 1HB LYS 7 9.955 3.049 2.390
52 HG2 LYS 7 2HG LYS 7 9.473 0.118 2.927
53 HG3 LYS 7 1HG LYS 7 10.598 1.163 3.791
54 HD2 LYS 7 2HD LYS 7 8.695 2.545 4.552
55 HD3 LYS 7 1HD LYS 7 7.588 1.463 3.706
56 HE2 LYS 7 2HE LYS 7 8.429 -0.410 5.115
57 HE3 LYS 7 1HE LYS 7 9.401 0.753 6.010
58 HZ1 LYS 7 1HZ LYS 7 6.431 0.764 5.819
59 HZ2 LYS 7 2HZ LYS 7 7.344 1.883 6.682
60 HZ3 LYS 7 3HZ LYS 7 7.329 0.285 7.150
61 HA PRO 8 HA PRO 8 6.794 4.113 1.926
62 HB2 PRO 8 2HB PRO 8 5.018 5.788 0.826
63 HB3 PRO 8 1HB PRO 8 6.605 6.356 1.357
64 HG2 PRO 8 2HG PRO 8 5.657 5.674 -1.397
65 HG3 PRO 8 1HG PRO 8 6.640 7.049 -0.866
66 HD2 PRO 8 2HD PRO 8 7.680 4.796 -2.010
67 HD3 PRO 8 1HD PRO 8 8.580 5.824 -0.881
68 HA PRO 9 HA PRO 9 3.723 1.145 0.643
69 HB2 PRO 9 2HB PRO 9 1.969 1.401 2.702
70 HB3 PRO 9 1HB PRO 9 3.507 0.550 2.861
71 HG2 PRO 9 2HG PRO 9 2.771 3.313 3.709
72 HG3 PRO 9 1HG PRO 9 3.786 2.120 4.537
73 HD2 PRO 9 2HD PRO 9 4.788 4.212 3.104
74 HD3 PRO 9 1HD PRO 9 5.646 2.675 3.321
75 H ILE 10 H ILE 10 2.378 1.514 -0.935
76 HA ILE 10 HA ILE 10 0.857 3.940 -1.102
77 HB ILE 10 HB ILE 10 0.769 1.465 -2.875
78 HG12 ILE 10 2HG1 ILE 10 2.242 4.088 -3.266
79 HG13 ILE 10 1HG1 ILE 10 2.991 2.563 -2.818
80 HG21 ILE 10 1HG2 ILE 10 -0.296 2.952 -4.526
81 HG22 ILE 10 2HG2 ILE 10 -0.290 4.260 -3.341
82 HG23 ILE 10 3HG2 ILE 10 -1.262 2.817 -3.058
83 HD11 ILE 10 1HD1 ILE 10 1.558 3.136 -5.406
84 HD12 ILE 10 2HD1 ILE 10 2.327 1.609 -4.964
85 HD13 ILE 10 3HD1 ILE 10 3.305 3.059 -5.177
86 H CYS 11 H CYS 11 -0.792 4.114 0.219
87 HA CYS 11 HA CYS 11 -2.432 1.758 0.747
88 HB2 CYS 11 2HB CYS 11 -2.030 4.247 2.388
89 HB3 CYS 11 1HB CYS 11 -3.249 3.033 2.744
90 H PHE 12 H PHE 12 -4.287 1.630 -0.030
91 HA PHE 12 HA PHE 12 -5.658 4.005 -0.974
92 HB2 PHE 12 2HB PHE 12 -6.175 1.083 -1.561
93 HB3 PHE 12 1HB PHE 12 -7.212 2.383 -2.084
94 HD1 PHE 12 1HD PHE 12 -6.729 3.709 -3.956
95 HD2 PHE 12 2HD PHE 12 -3.841 0.942 -2.507
96 HE1 PHE 12 1HE PHE 12 -5.419 4.018 -6.003
97 HE2 PHE 12 2HE PHE 12 -2.520 1.255 -4.572
98 HZ PHE 12 HZ PHE 12 -3.317 2.793 -6.315
99 HA PRO 13 HA PRO 13 -8.232 4.424 2.593
100 HB2 PRO 13 2HB PRO 13 -10.283 4.769 0.446
101 HB3 PRO 13 1HB PRO 13 -10.007 5.739 1.899
102 HG2 PRO 13 2HG PRO 13 -9.099 6.599 -0.433
103 HG3 PRO 13 1HG PRO 13 -8.106 6.748 1.024
104 HD2 PRO 13 2HD PRO 13 -7.785 4.841 -1.266
105 HD3 PRO 13 1HD PRO 13 -6.584 5.596 -0.195
106 H ASP 14 H ASP 14 -9.089 2.123 0.129
107 HA ASP 14 HA ASP 14 -11.324 0.851 1.309
108 HB2 ASP 14 2HB ASP 14 -10.679 0.475 -1.017
109 HB3 ASP 14 1HB ASP 14 -9.160 -0.248 -0.506
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -8.140 0.714 1.578
2 HA2 GLY 1 2HA GLY 1 -7.546 -0.219 3.714
3 HA3 GLY 1 1HA GLY 1 -8.662 -1.548 3.390
4 H ARG 2 H ARG 2 -6.524 -0.211 1.029
5 HA ARG 2 HA ARG 2 -5.105 -2.785 0.920
6 HB2 ARG 2 2HB ARG 2 -5.624 -0.795 -1.309
7 HB3 ARG 2 1HB ARG 2 -4.713 -2.285 -1.478
8 HG2 ARG 2 2HG ARG 2 -6.669 -3.603 -1.074
9 HG3 ARG 2 1HG ARG 2 -7.602 -2.172 -0.647
10 HD2 ARG 2 2HD ARG 2 -8.205 -2.824 -2.868
11 HD3 ARG 2 1HD ARG 2 -7.275 -1.338 -2.965
12 HE ARG 2 HE ARG 2 -5.596 -3.592 -3.289
13 HH11 ARG 2 1HH1 ARG 2 -7.970 -1.609 -5.045
14 HH12 ARG 2 2HH1 ARG 2 -7.434 -2.053 -6.587
15 HH21 ARG 2 1HH2 ARG 2 -4.861 -4.229 -5.471
16 HH22 ARG 2 2HH2 ARG 2 -5.641 -3.575 -6.832
17 H CYS 3 H CYS 3 -3.404 -2.324 2.220
18 HA CYS 3 HA CYS 3 -1.740 -0.026 1.533
19 HB2 CYS 3 2HB CYS 3 -1.771 -1.790 3.994
20 HB3 CYS 3 1HB CYS 3 -0.584 -0.531 3.695
21 H TYR 4 H TYR 4 0.075 -0.357 0.497
22 HA TYR 4 HA TYR 4 0.886 -3.123 0.114
23 HB2 TYR 4 2HB TYR 4 1.559 -0.601 -1.404
24 HB3 TYR 4 1HB TYR 4 2.274 -2.175 -1.756
25 HD1 TYR 4 1HD TYR 4 -0.900 -0.257 -1.764
26 HD2 TYR 4 2HD TYR 4 1.051 -3.842 -2.921
27 HE1 TYR 4 1HE TYR 4 -2.817 -0.851 -3.155
28 HE2 TYR 4 2HE TYR 4 -0.855 -4.433 -4.320
29 HH TYR 4 HH TYR 4 -3.255 -2.240 -5.122
30 H LYS 5 H LYS 5 2.967 -3.780 0.501
31 HA LYS 5 HA LYS 5 4.181 -2.333 2.732
32 HB2 LYS 5 2HB LYS 5 4.800 -5.097 1.659
33 HB3 LYS 5 1HB LYS 5 5.344 -4.434 3.191
34 HG2 LYS 5 2HG LYS 5 2.484 -5.054 2.439
35 HG3 LYS 5 1HG LYS 5 3.506 -6.006 3.511
36 HD2 LYS 5 2HD LYS 5 2.750 -3.122 4.039
37 HD3 LYS 5 1HD LYS 5 1.834 -4.494 4.644
38 HE2 LYS 5 2HE LYS 5 4.759 -4.021 5.228
39 HE3 LYS 5 1HE LYS 5 3.450 -3.514 6.290
40 HZ1 LYS 5 1HZ LYS 5 2.788 -5.846 6.462
41 HZ2 LYS 5 2HZ LYS 5 4.337 -5.593 7.034
42 HZ3 LYS 5 3HZ LYS 5 4.110 -6.318 5.523
43 H SER 6 H SER 6 4.435 -1.363 0.080
44 HA SER 6 HA SER 6 7.022 -1.889 -0.964
45 HB2 SER 6 2HB SER 6 6.248 0.059 -2.438
46 HB3 SER 6 1HB SER 6 5.285 -1.421 -2.491
47 HG SER 6 HG SER 6 4.717 1.043 -1.234
48 H LYS 7 H LYS 7 8.117 0.416 -1.586
49 HA LYS 7 HA LYS 7 8.229 2.059 0.826
50 HB2 LYS 7 2HB LYS 7 10.313 0.763 0.590
51 HB3 LYS 7 1HB LYS 7 10.500 1.340 -1.055
52 HG2 LYS 7 2HG LYS 7 12.013 2.545 0.379
53 HG3 LYS 7 1HG LYS 7 10.765 3.641 -0.201
54 HD2 LYS 7 2HD LYS 7 11.159 4.095 2.131
55 HD3 LYS 7 1HD LYS 7 9.575 3.345 1.977
56 HE2 LYS 7 2HE LYS 7 10.769 2.420 3.881
57 HE3 LYS 7 1HE LYS 7 10.552 1.182 2.651
58 HZ1 LYS 7 1HZ LYS 7 12.854 1.565 1.939
59 HZ2 LYS 7 2HZ LYS 7 12.778 1.119 3.547
60 HZ3 LYS 7 3HZ LYS 7 13.053 2.730 3.138
61 HA PRO 8 HA PRO 8 7.440 3.781 1.429
62 HB2 PRO 8 2HB PRO 8 5.382 5.472 1.318
63 HB3 PRO 8 1HB PRO 8 7.038 6.058 1.143
64 HG2 PRO 8 2HG PRO 8 5.016 5.453 -0.978
65 HG3 PRO 8 1HG PRO 8 6.052 6.881 -0.810
66 HD2 PRO 8 2HD PRO 8 6.660 4.820 -2.470
67 HD3 PRO 8 1HD PRO 8 7.898 5.800 -1.663
68 HA PRO 9 HA PRO 9 3.861 1.011 1.407
69 HB2 PRO 9 2HB PRO 9 3.125 2.031 4.065
70 HB3 PRO 9 1HB PRO 9 3.664 0.410 3.618
71 HG2 PRO 9 2HG PRO 9 5.212 2.069 5.060
72 HG3 PRO 9 1HG PRO 9 5.894 0.935 3.882
73 HD2 PRO 9 2HD PRO 9 5.372 3.872 3.590
74 HD3 PRO 9 1HD PRO 9 6.790 2.914 3.097
75 H ILE 10 H ILE 10 2.354 1.748 0.082
76 HA ILE 10 HA ILE 10 0.996 4.235 0.696
77 HB ILE 10 HB ILE 10 1.906 4.014 -1.547
78 HG12 ILE 10 2HG1 ILE 10 -1.118 3.887 -1.695
79 HG13 ILE 10 1HG1 ILE 10 -0.210 5.315 -1.219
80 HG21 ILE 10 1HG2 ILE 10 1.035 2.410 -3.179
81 HG22 ILE 10 2HG2 ILE 10 0.121 1.629 -1.885
82 HG23 ILE 10 3HG2 ILE 10 1.886 1.642 -1.835
83 HD11 ILE 10 1HD1 ILE 10 -0.092 3.952 -3.903
84 HD12 ILE 10 2HD1 ILE 10 0.823 5.386 -3.437
85 HD13 ILE 10 3HD1 ILE 10 -0.937 5.455 -3.533
86 H CYS 11 H CYS 11 -1.110 4.374 1.216
87 HA CYS 11 HA CYS 11 -2.577 1.859 1.389
88 HB2 CYS 11 2HB CYS 11 -2.579 4.182 3.307
89 HB3 CYS 11 1HB CYS 11 -3.793 2.907 3.331
90 H PHE 12 H PHE 12 -4.161 1.741 0.125
91 HA PHE 12 HA PHE 12 -5.487 4.110 -0.884
92 HB2 PHE 12 2HB PHE 12 -5.780 1.182 -1.609
93 HB3 PHE 12 1HB PHE 12 -6.680 2.486 -2.373
94 HD1 PHE 12 1HD PHE 12 -3.372 0.933 -2.002
95 HD2 PHE 12 2HD PHE 12 -5.650 3.918 -3.989
96 HE1 PHE 12 1HE PHE 12 -1.561 1.224 -3.651
97 HE2 PHE 12 2HE PHE 12 -3.848 4.209 -5.629
98 HZ PHE 12 HZ PHE 12 -1.804 2.861 -5.458
99 HA PRO 13 HA PRO 13 -8.599 4.251 2.258
100 HB2 PRO 13 2HB PRO 13 -10.769 4.788 0.541
101 HB3 PRO 13 1HB PRO 13 -9.741 5.959 1.366
102 HG2 PRO 13 2HG PRO 13 -9.566 4.917 -1.422
103 HG3 PRO 13 1HG PRO 13 -9.221 6.543 -0.809
104 HD2 PRO 13 2HD PRO 13 -7.250 4.911 -1.466
105 HD3 PRO 13 1HD PRO 13 -7.117 5.912 -0.002
106 H ASP 14 H ASP 14 -9.047 2.070 -0.370
107 HA ASP 14 HA ASP 14 -11.375 0.693 0.507
108 HB2 ASP 14 2HB ASP 14 -10.526 0.417 -1.771
109 HB3 ASP 14 1HB ASP 14 -9.039 -0.291 -1.156
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -7.858 0.799 1.810
2 HA2 GLY 1 2HA GLY 1 -7.042 0.162 4.080
3 HA3 GLY 1 1HA GLY 1 -8.039 -1.276 3.914
4 H ARG 2 H ARG 2 -6.957 -0.830 0.956
5 HA ARG 2 HA ARG 2 -5.030 -2.927 1.152
6 HB2 ARG 2 2HB ARG 2 -6.514 -2.844 -0.757
7 HB3 ARG 2 1HB ARG 2 -5.939 -1.253 -1.197
8 HG2 ARG 2 2HG ARG 2 -5.030 -2.883 -2.698
9 HG3 ARG 2 1HG ARG 2 -3.729 -2.229 -1.712
10 HD2 ARG 2 2HD ARG 2 -3.748 -4.222 -0.316
11 HD3 ARG 2 1HD ARG 2 -5.121 -4.870 -1.220
12 HE ARG 2 HE ARG 2 -3.344 -4.508 -3.160
13 HH11 ARG 2 1HH1 ARG 2 -3.028 -6.174 -0.037
14 HH12 ARG 2 2HH1 ARG 2 -1.789 -7.211 -0.553
15 HH21 ARG 2 1HH2 ARG 2 -1.597 -5.988 -3.868
16 HH22 ARG 2 2HH2 ARG 2 -0.935 -7.065 -2.762
17 H CYS 3 H CYS 3 -3.284 -2.260 2.289
18 HA CYS 3 HA CYS 3 -1.745 -0.056 1.162
19 HB2 CYS 3 2HB CYS 3 -1.491 -1.447 3.839
20 HB3 CYS 3 1HB CYS 3 -0.424 -0.183 3.254
21 H TYR 4 H TYR 4 0.028 -0.428 0.139
22 HA TYR 4 HA TYR 4 0.866 -3.167 -0.208
23 HB2 TYR 4 2HB TYR 4 1.680 -0.584 -1.526
24 HB3 TYR 4 1HB TYR 4 2.530 -2.098 -1.822
25 HD1 TYR 4 1HD TYR 4 1.672 -3.699 -3.317
26 HD2 TYR 4 2HD TYR 4 -0.779 -0.432 -2.124
27 HE1 TYR 4 1HE TYR 4 0.040 -4.305 -5.024
28 HE2 TYR 4 2HE TYR 4 -2.419 -1.046 -3.835
29 HH TYR 4 HH TYR 4 -2.498 -2.236 -5.916
30 H LYS 5 H LYS 5 3.077 -3.762 0.007
31 HA LYS 5 HA LYS 5 4.065 -2.688 2.501
32 HB2 LYS 5 2HB LYS 5 4.743 -5.233 1.031
33 HB3 LYS 5 1HB LYS 5 5.361 -4.776 2.615
34 HG2 LYS 5 2HG LYS 5 3.070 -4.740 3.490
35 HG3 LYS 5 1HG LYS 5 2.470 -5.244 1.914
36 HD2 LYS 5 2HD LYS 5 2.584 -7.136 3.420
37 HD3 LYS 5 1HD LYS 5 3.765 -7.333 2.127
38 HE2 LYS 5 2HE LYS 5 5.548 -6.628 3.598
39 HE3 LYS 5 1HE LYS 5 4.391 -6.262 4.880
40 HZ1 LYS 5 1HZ LYS 5 3.826 -8.600 4.962
41 HZ2 LYS 5 2HZ LYS 5 5.467 -8.370 5.238
42 HZ3 LYS 5 3HZ LYS 5 4.939 -8.953 3.745
43 H SER 6 H SER 6 4.496 -1.786 -0.447
44 HA SER 6 HA SER 6 7.301 -1.772 -0.721
45 HB2 SER 6 2HB SER 6 6.720 0.008 -2.482
46 HB3 SER 6 1HB SER 6 6.028 -1.596 -2.720
47 HG SER 6 HG SER 6 4.283 -0.394 -2.947
48 H LYS 7 H LYS 7 8.547 0.342 -0.662
49 HA LYS 7 HA LYS 7 7.579 2.035 1.542
50 HB2 LYS 7 2HB LYS 7 10.393 1.526 0.558
51 HB3 LYS 7 1HB LYS 7 9.972 2.642 1.838
52 HG2 LYS 7 2HG LYS 7 9.463 -0.330 1.999
53 HG3 LYS 7 1HG LYS 7 10.955 0.428 2.539
54 HD2 LYS 7 2HD LYS 7 9.745 0.257 4.513
55 HD3 LYS 7 1HD LYS 7 9.386 1.897 4.004
56 HE2 LYS 7 2HE LYS 7 7.391 0.800 4.817
57 HE3 LYS 7 1HE LYS 7 7.200 1.098 3.103
58 HZ1 LYS 7 1HZ LYS 7 7.757 -1.264 2.698
59 HZ2 LYS 7 2HZ LYS 7 6.475 -1.128 3.765
60 HZ3 LYS 7 3HZ LYS 7 7.992 -1.470 4.345
61 HA PRO 8 HA PRO 8 7.004 3.845 2.159
62 HB2 PRO 8 2HB PRO 8 5.091 5.765 1.085
63 HB3 PRO 8 1HB PRO 8 6.318 6.021 2.328
64 HG2 PRO 8 2HG PRO 8 6.463 7.162 -0.130
65 HG3 PRO 8 1HG PRO 8 7.898 6.715 0.809
66 HD2 PRO 8 2HD PRO 8 6.568 5.238 -1.430
67 HD3 PRO 8 1HD PRO 8 8.297 5.553 -1.166
68 HA PRO 9 HA PRO 9 3.611 1.131 1.276
69 HB2 PRO 9 2HB PRO 9 2.103 2.124 3.585
70 HB3 PRO 9 1HB PRO 9 2.828 0.537 3.331
71 HG2 PRO 9 2HG PRO 9 3.829 2.283 5.114
72 HG3 PRO 9 1HG PRO 9 4.866 1.180 4.192
73 HD2 PRO 9 2HD PRO 9 4.313 4.088 3.729
74 HD3 PRO 9 1HD PRO 9 5.850 3.199 3.647
75 H ILE 10 H ILE 10 2.486 1.696 -0.447
76 HA ILE 10 HA ILE 10 0.865 4.042 -0.591
77 HB ILE 10 HB ILE 10 0.886 1.619 -2.421
78 HG12 ILE 10 2HG1 ILE 10 3.107 2.626 -2.335
79 HG13 ILE 10 1HG1 ILE 10 2.361 2.962 -3.890
80 HG21 ILE 10 1HG2 ILE 10 -0.089 3.126 -4.101
81 HG22 ILE 10 2HG2 ILE 10 -0.174 4.404 -2.885
82 HG23 ILE 10 3HG2 ILE 10 -1.134 2.937 -2.692
83 HD11 ILE 10 1HD1 ILE 10 1.821 5.232 -3.115
84 HD12 ILE 10 2HD1 ILE 10 3.551 4.902 -3.068
85 HD13 ILE 10 3HD1 ILE 10 2.612 4.884 -1.576
86 H CYS 11 H CYS 11 -0.882 4.172 0.596
87 HA CYS 11 HA CYS 11 -2.499 1.798 1.047
88 HB2 CYS 11 2HB CYS 11 -2.267 4.375 2.562
89 HB3 CYS 11 1HB CYS 11 -3.575 3.226 2.826
90 H PHE 12 H PHE 12 -4.116 1.523 -0.177
91 HA PHE 12 HA PHE 12 -5.518 3.738 -1.365
92 HB2 PHE 12 2HB PHE 12 -5.841 0.743 -1.606
93 HB3 PHE 12 1HB PHE 12 -6.940 1.882 -2.363
94 HD1 PHE 12 1HD PHE 12 -6.407 2.971 -4.362
95 HD2 PHE 12 2HD PHE 12 -3.422 0.717 -2.334
96 HE1 PHE 12 1HE PHE 12 -4.938 3.163 -6.321
97 HE2 PHE 12 2HE PHE 12 -1.947 0.914 -4.310
98 HZ PHE 12 HZ PHE 12 -2.711 2.133 -6.294
99 HA PRO 13 HA PRO 13 -8.341 4.789 1.801
100 HB2 PRO 13 2HB PRO 13 -10.308 4.260 -0.382
101 HB3 PRO 13 1HB PRO 13 -10.251 5.598 0.772
102 HG2 PRO 13 2HG PRO 13 -9.318 5.885 -1.714
103 HG3 PRO 13 1HG PRO 13 -8.525 6.658 -0.333
104 HD2 PRO 13 2HD PRO 13 -7.588 4.395 -1.991
105 HD3 PRO 13 1HD PRO 13 -6.675 5.492 -0.934
106 H ASP 14 H ASP 14 -9.336 1.938 -0.105
107 HA ASP 14 HA ASP 14 -11.250 1.043 1.783
108 HB2 ASP 14 2HB ASP 14 -11.377 0.361 -0.565
109 HB3 ASP 14 1HB ASP 14 -9.873 -0.535 -0.401
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.470 0.940 2.364
2 HA2 GLY 1 2HA GLY 1 -7.865 -0.598 4.002
3 HA3 GLY 1 1HA GLY 1 -9.199 -1.628 3.500
4 H ARG 2 H ARG 2 -6.546 -0.273 1.631
5 HA ARG 2 HA ARG 2 -5.517 -2.973 1.119
6 HB2 ARG 2 2HB ARG 2 -7.071 -2.320 -0.722
7 HB3 ARG 2 1HB ARG 2 -6.083 -0.898 -1.011
8 HG2 ARG 2 2HG ARG 2 -4.167 -2.429 -1.505
9 HG3 ARG 2 1HG ARG 2 -5.304 -3.775 -1.416
10 HD2 ARG 2 2HD ARG 2 -5.409 -1.438 -3.325
11 HD3 ARG 2 1HD ARG 2 -4.993 -3.100 -3.725
12 HE ARG 2 HE ARG 2 -7.519 -3.172 -2.607
13 HH11 ARG 2 1HH1 ARG 2 -6.003 -1.822 -5.515
14 HH12 ARG 2 2HH1 ARG 2 -7.451 -1.795 -6.406
15 HH21 ARG 2 1HH2 ARG 2 -9.491 -3.107 -3.855
16 HH22 ARG 2 2HH2 ARG 2 -9.472 -2.511 -5.444
17 H CYS 3 H CYS 3 -3.419 -2.844 1.760
18 HA CYS 3 HA CYS 3 -1.899 -0.490 0.922
19 HB2 CYS 3 2HB CYS 3 -1.733 -1.886 3.592
20 HB3 CYS 3 1HB CYS 3 -0.495 -0.803 2.986
21 H TYR 4 H TYR 4 -0.066 -0.870 -0.018
22 HA TYR 4 HA TYR 4 1.009 -3.596 0.023
23 HB2 TYR 4 2HB TYR 4 1.562 -1.338 -1.935
24 HB3 TYR 4 1HB TYR 4 2.260 -2.946 -2.004
25 HD1 TYR 4 1HD TYR 4 0.543 -4.920 -2.193
26 HD2 TYR 4 2HD TYR 4 -0.342 -0.879 -3.178
27 HE1 TYR 4 1HE TYR 4 -1.297 -5.678 -3.613
28 HE2 TYR 4 2HE TYR 4 -2.196 -1.635 -4.603
29 HH TYR 4 HH TYR 4 -3.435 -4.758 -4.533
30 H LYS 5 H LYS 5 2.732 -3.800 1.295
31 HA LYS 5 HA LYS 5 3.812 -1.376 2.341
32 HB2 LYS 5 2HB LYS 5 4.200 -4.213 3.242
33 HB3 LYS 5 1HB LYS 5 5.074 -2.860 3.954
34 HG2 LYS 5 2HG LYS 5 2.948 -1.783 4.519
35 HG3 LYS 5 1HG LYS 5 2.082 -3.151 3.832
36 HD2 LYS 5 2HD LYS 5 3.032 -4.624 5.510
37 HD3 LYS 5 1HD LYS 5 3.990 -3.289 6.161
38 HE2 LYS 5 2HE LYS 5 1.973 -2.088 6.752
39 HE3 LYS 5 1HE LYS 5 0.974 -3.343 6.025
40 HZ1 LYS 5 1HZ LYS 5 1.090 -3.531 8.415
41 HZ2 LYS 5 2HZ LYS 5 2.759 -3.689 8.368
42 HZ3 LYS 5 3HZ LYS 5 1.770 -4.890 7.687
43 H SER 6 H SER 6 4.639 -0.693 0.523
44 HA SER 6 HA SER 6 7.259 -1.653 -0.245
45 HB2 SER 6 2HB SER 6 6.777 0.104 -2.056
46 HB3 SER 6 1HB SER 6 5.750 -1.337 -2.058
47 HG SER 6 HG SER 6 5.129 1.295 -1.252
48 H LYS 7 H LYS 7 8.521 0.637 -0.860
49 HA LYS 7 HA LYS 7 8.102 2.454 1.400
50 HB2 LYS 7 2HB LYS 7 10.197 1.129 1.648
51 HB3 LYS 7 1HB LYS 7 10.746 1.755 0.100
52 HG2 LYS 7 2HG LYS 7 10.784 4.007 1.008
53 HG3 LYS 7 1HG LYS 7 10.175 3.408 2.543
54 HD2 LYS 7 2HD LYS 7 12.507 3.691 2.855
55 HD3 LYS 7 1HD LYS 7 12.270 1.964 2.657
56 HE2 LYS 7 2HE LYS 7 13.119 3.796 0.409
57 HE3 LYS 7 1HE LYS 7 14.264 3.005 1.468
58 HZ1 LYS 7 1HZ LYS 7 14.029 1.768 -0.537
59 HZ2 LYS 7 2HZ LYS 7 12.371 1.681 -0.416
60 HZ3 LYS 7 3HZ LYS 7 13.345 0.849 0.684
61 HA PRO 8 HA PRO 8 7.184 4.217 1.727
62 HB2 PRO 8 2HB PRO 8 5.152 5.807 0.993
63 HB3 PRO 8 1HB PRO 8 6.777 6.459 1.238
64 HG2 PRO 8 2HG PRO 8 5.406 5.699 -1.311
65 HG3 PRO 8 1HG PRO 8 6.338 7.163 -0.933
66 HD2 PRO 8 2HD PRO 8 7.394 5.074 -2.293
67 HD3 PRO 8 1HD PRO 8 8.359 6.094 -1.207
68 HA PRO 9 HA PRO 9 4.006 1.124 1.232
69 HB2 PRO 9 2HB PRO 9 2.193 1.944 3.142
70 HB3 PRO 9 1HB PRO 9 3.646 1.011 3.500
71 HG2 PRO 9 2HG PRO 9 3.156 3.944 3.760
72 HG3 PRO 9 1HG PRO 9 4.073 2.865 4.822
73 HD2 PRO 9 2HD PRO 9 5.278 4.534 3.077
74 HD3 PRO 9 1HD PRO 9 5.956 2.946 3.480
75 H ILE 10 H ILE 10 2.468 0.980 -0.232
76 HA ILE 10 HA ILE 10 1.095 3.404 -1.054
77 HB ILE 10 HB ILE 10 0.968 0.630 -2.289
78 HG12 ILE 10 2HG1 ILE 10 2.633 3.005 -3.157
79 HG13 ILE 10 1HG1 ILE 10 3.264 1.626 -2.268
80 HG21 ILE 10 1HG2 ILE 10 0.187 3.342 -3.380
81 HG22 ILE 10 2HG2 ILE 10 -0.928 2.079 -2.867
82 HG23 ILE 10 3HG2 ILE 10 0.116 1.819 -4.266
83 HD11 ILE 10 1HD1 ILE 10 2.023 1.538 -5.003
84 HD12 ILE 10 2HD1 ILE 10 2.695 0.162 -4.124
85 HD13 ILE 10 3HD1 ILE 10 3.748 1.477 -4.647
86 H CYS 11 H CYS 11 -0.561 3.834 0.228
87 HA CYS 11 HA CYS 11 -2.342 1.642 0.918
88 HB2 CYS 11 2HB CYS 11 -1.586 4.069 2.505
89 HB3 CYS 11 1HB CYS 11 -3.073 3.185 2.831
90 H PHE 12 H PHE 12 -4.232 1.643 0.265
91 HA PHE 12 HA PHE 12 -5.470 4.044 -0.863
92 HB2 PHE 12 2HB PHE 12 -6.208 1.121 -1.193
93 HB3 PHE 12 1HB PHE 12 -6.973 2.466 -2.009
94 HD1 PHE 12 1HD PHE 12 -5.939 3.522 -3.907
95 HD2 PHE 12 2HD PHE 12 -3.976 0.358 -1.858
96 HE1 PHE 12 1HE PHE 12 -4.368 3.291 -5.781
97 HE2 PHE 12 2HE PHE 12 -2.403 0.127 -3.721
98 HZ PHE 12 HZ PHE 12 -2.594 1.588 -5.692
99 HA PRO 13 HA PRO 13 -7.877 3.963 2.921
100 HB2 PRO 13 2HB PRO 13 -9.954 5.517 2.124
101 HB3 PRO 13 1HB PRO 13 -8.360 6.164 2.535
102 HG2 PRO 13 2HG PRO 13 -9.513 5.532 -0.155
103 HG3 PRO 13 1HG PRO 13 -8.615 6.975 0.351
104 HD2 PRO 13 2HD PRO 13 -7.421 4.988 -1.020
105 HD3 PRO 13 1HD PRO 13 -6.568 5.879 0.260
106 H ASP 14 H ASP 14 -8.587 2.214 0.344
107 HA ASP 14 HA ASP 14 -11.310 1.423 1.020
108 HB2 ASP 14 2HB ASP 14 -9.396 0.392 -1.101
109 HB3 ASP 14 1HB ASP 14 -11.039 -0.179 -0.881
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.318 0.925 1.975
2 HA2 GLY 1 2HA GLY 1 -7.644 -0.024 4.041
3 HA3 GLY 1 1HA GLY 1 -8.866 -1.277 3.832
4 H ARG 2 H ARG 2 -6.339 -0.012 1.703
5 HA ARG 2 HA ARG 2 -5.269 -2.748 1.464
6 HB2 ARG 2 2HB ARG 2 -5.653 -0.835 -0.849
7 HB3 ARG 2 1HB ARG 2 -5.028 -2.468 -0.930
8 HG2 ARG 2 2HG ARG 2 -7.840 -1.689 -0.213
9 HG3 ARG 2 1HG ARG 2 -7.292 -2.352 -1.753
10 HD2 ARG 2 2HD ARG 2 -6.656 -4.424 -0.664
11 HD3 ARG 2 1HD ARG 2 -7.090 -3.749 0.910
12 HE ARG 2 HE ARG 2 -9.132 -3.832 -1.133
13 HH11 ARG 2 1HH1 ARG 2 -7.816 -5.262 1.851
14 HH12 ARG 2 2HH1 ARG 2 -9.225 -6.107 2.239
15 HH21 ARG 2 1HH2 ARG 2 -11.091 -4.977 -0.566
16 HH22 ARG 2 2HH2 ARG 2 -11.124 -5.935 0.844
17 H CYS 3 H CYS 3 -3.124 -2.724 1.823
18 HA CYS 3 HA CYS 3 -1.643 -0.329 1.069
19 HB2 CYS 3 2HB CYS 3 -1.416 -1.747 3.729
20 HB3 CYS 3 1HB CYS 3 -0.234 -0.591 3.134
21 H TYR 4 H TYR 4 -0.004 -0.795 -0.145
22 HA TYR 4 HA TYR 4 0.997 -3.538 -0.261
23 HB2 TYR 4 2HB TYR 4 1.574 -1.110 -1.980
24 HB3 TYR 4 1HB TYR 4 2.351 -2.669 -2.191
25 HD1 TYR 4 1HD TYR 4 0.805 -4.672 -2.694
26 HD2 TYR 4 2HD TYR 4 -0.411 -0.621 -3.108
27 HE1 TYR 4 1HE TYR 4 -0.959 -5.374 -4.230
28 HE2 TYR 4 2HE TYR 4 -2.193 -1.311 -4.649
29 HH TYR 4 HH TYR 4 -3.162 -4.515 -5.024
30 H LYS 5 H LYS 5 2.778 -4.065 0.871
31 HA LYS 5 HA LYS 5 4.104 -1.966 2.248
32 HB2 LYS 5 2HB LYS 5 5.388 -3.687 3.423
33 HB3 LYS 5 1HB LYS 5 3.668 -4.002 3.498
34 HG2 LYS 5 2HG LYS 5 3.966 -5.710 1.710
35 HG3 LYS 5 1HG LYS 5 5.701 -5.406 1.782
36 HD2 LYS 5 2HD LYS 5 3.959 -6.458 4.014
37 HD3 LYS 5 1HD LYS 5 5.167 -7.362 3.105
38 HE2 LYS 5 2HE LYS 5 5.697 -5.031 4.968
39 HE3 LYS 5 1HE LYS 5 6.015 -6.726 5.296
40 HZ1 LYS 5 1HZ LYS 5 8.018 -5.562 4.647
41 HZ2 LYS 5 2HZ LYS 5 7.368 -5.119 3.178
42 HZ3 LYS 5 3HZ LYS 5 7.658 -6.735 3.508
43 H SER 6 H SER 6 5.009 -0.790 0.873
44 HA SER 6 HA SER 6 7.467 -1.712 -0.408
45 HB2 SER 6 2HB SER 6 5.403 -1.331 -1.933
46 HB3 SER 6 1HB SER 6 5.537 0.365 -1.491
47 HG SER 6 HG SER 6 6.523 -0.333 -3.465
48 H LYS 7 H LYS 7 8.599 0.693 -0.883
49 HA LYS 7 HA LYS 7 7.882 2.288 1.404
50 HB2 LYS 7 2HB LYS 7 10.265 2.915 1.833
51 HB3 LYS 7 1HB LYS 7 9.927 1.229 2.122
52 HG2 LYS 7 2HG LYS 7 11.248 2.248 -0.390
53 HG3 LYS 7 1HG LYS 7 12.137 1.760 1.046
54 HD2 LYS 7 2HD LYS 7 11.201 -0.488 0.862
55 HD3 LYS 7 1HD LYS 7 10.300 -0.008 -0.572
56 HE2 LYS 7 2HE LYS 7 13.306 -0.056 -0.268
57 HE3 LYS 7 1HE LYS 7 12.330 -1.189 -1.196
58 HZ1 LYS 7 1HZ LYS 7 11.654 0.661 -2.628
59 HZ2 LYS 7 2HZ LYS 7 13.308 0.430 -2.644
60 HZ3 LYS 7 3HZ LYS 7 12.659 1.709 -1.778
61 HA PRO 8 HA PRO 8 7.153 3.988 1.997
62 HB2 PRO 8 2HB PRO 8 5.130 5.671 1.463
63 HB3 PRO 8 1HB PRO 8 6.770 6.264 1.762
64 HG2 PRO 8 2HG PRO 8 5.356 5.835 -0.843
65 HG3 PRO 8 1HG PRO 8 6.335 7.218 -0.323
66 HD2 PRO 8 2HD PRO 8 7.299 5.231 -1.911
67 HD3 PRO 8 1HD PRO 8 8.318 6.146 -0.783
68 HA PRO 9 HA PRO 9 3.917 0.994 1.082
69 HB2 PRO 9 2HB PRO 9 2.431 2.036 3.416
70 HB3 PRO 9 1HB PRO 9 3.056 0.409 3.128
71 HG2 PRO 9 2HG PRO 9 4.198 2.025 4.923
72 HG3 PRO 9 1HG PRO 9 5.167 0.938 3.913
73 HD2 PRO 9 2HD PRO 9 4.697 3.878 3.613
74 HD3 PRO 9 1HD PRO 9 6.199 2.943 3.419
75 H ILE 10 H ILE 10 2.490 1.304 -0.469
76 HA ILE 10 HA ILE 10 1.055 3.817 -0.627
77 HB ILE 10 HB ILE 10 0.971 1.465 -2.546
78 HG12 ILE 10 2HG1 ILE 10 3.249 2.342 -2.424
79 HG13 ILE 10 1HG1 ILE 10 2.517 2.783 -3.960
80 HG21 ILE 10 1HG2 ILE 10 0.086 3.098 -4.160
81 HG22 ILE 10 2HG2 ILE 10 0.082 4.330 -2.899
82 HG23 ILE 10 3HG2 ILE 10 -0.969 2.922 -2.757
83 HD11 ILE 10 1HD1 ILE 10 3.823 4.617 -3.055
84 HD12 ILE 10 2HD1 ILE 10 2.872 4.591 -1.573
85 HD13 ILE 10 3HD1 ILE 10 2.112 5.045 -3.097
86 H CYS 11 H CYS 11 -0.832 4.055 0.313
87 HA CYS 11 HA CYS 11 -2.451 1.678 0.779
88 HB2 CYS 11 2HB CYS 11 -2.150 4.156 2.464
89 HB3 CYS 11 1HB CYS 11 -3.376 2.924 2.736
90 H PHE 12 H PHE 12 -4.494 1.692 0.354
91 HA PHE 12 HA PHE 12 -5.676 4.004 -1.009
92 HB2 PHE 12 2HB PHE 12 -6.198 1.044 -1.442
93 HB3 PHE 12 1HB PHE 12 -7.076 2.342 -2.233
94 HD1 PHE 12 1HD PHE 12 -6.128 3.562 -4.040
95 HD2 PHE 12 2HD PHE 12 -3.843 0.594 -2.026
96 HE1 PHE 12 1HE PHE 12 -4.464 3.628 -5.839
97 HE2 PHE 12 2HE PHE 12 -2.168 0.662 -3.826
98 HZ PHE 12 HZ PHE 12 -2.478 2.175 -5.733
99 HA PRO 13 HA PRO 13 -8.371 4.304 2.488
100 HB2 PRO 13 2HB PRO 13 -10.624 5.279 1.178
101 HB3 PRO 13 1HB PRO 13 -9.272 6.249 1.763
102 HG2 PRO 13 2HG PRO 13 -9.816 5.212 -0.979
103 HG3 PRO 13 1HG PRO 13 -9.144 6.773 -0.486
104 HD2 PRO 13 2HD PRO 13 -7.585 4.833 -1.463
105 HD3 PRO 13 1HD PRO 13 -7.017 5.887 -0.151
106 H ASP 14 H ASP 14 -9.041 2.093 0.027
107 HA ASP 14 HA ASP 14 -11.531 1.047 1.076
108 HB2 ASP 14 2HB ASP 14 -9.521 -0.196 -0.819
109 HB3 ASP 14 1HB ASP 14 -11.038 -0.950 -0.366
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -8.406 0.660 1.501
2 HA2 GLY 1 2HA GLY 1 -8.077 -0.751 3.483
3 HA3 GLY 1 1HA GLY 1 -9.271 -1.844 2.796
4 H ARG 2 H ARG 2 -6.505 -0.219 1.292
5 HA ARG 2 HA ARG 2 -5.323 -2.858 0.892
6 HB2 ARG 2 2HB ARG 2 -5.859 -0.833 -1.253
7 HB3 ARG 2 1HB ARG 2 -4.533 -1.970 -1.397
8 HG2 ARG 2 2HG ARG 2 -6.159 -3.821 -1.203
9 HG3 ARG 2 1HG ARG 2 -7.462 -2.625 -1.174
10 HD2 ARG 2 2HD ARG 2 -6.914 -1.856 -3.347
11 HD3 ARG 2 1HD ARG 2 -5.414 -2.778 -3.372
12 HE ARG 2 HE ARG 2 -7.766 -4.374 -3.058
13 HH11 ARG 2 1HH1 ARG 2 -5.670 -2.780 -5.454
14 HH12 ARG 2 2HH1 ARG 2 -6.008 -3.915 -6.685
15 HH21 ARG 2 1HH2 ARG 2 -8.191 -5.935 -4.810
16 HH22 ARG 2 2HH2 ARG 2 -7.429 -5.710 -6.312
17 H CYS 3 H CYS 3 -3.347 -2.917 1.558
18 HA CYS 3 HA CYS 3 -1.742 -0.505 1.330
19 HB2 CYS 3 2HB CYS 3 -1.984 -2.318 3.707
20 HB3 CYS 3 1HB CYS 3 -0.523 -1.382 3.427
21 H TYR 4 H TYR 4 0.009 -0.736 0.297
22 HA TYR 4 HA TYR 4 1.091 -3.416 -0.101
23 HB2 TYR 4 2HB TYR 4 1.435 -0.888 -1.745
24 HB3 TYR 4 1HB TYR 4 2.263 -2.410 -2.067
25 HD1 TYR 4 1HD TYR 4 -0.846 -0.562 -2.411
26 HD2 TYR 4 2HD TYR 4 0.961 -4.394 -2.773
27 HE1 TYR 4 1HE TYR 4 -2.773 -1.353 -3.733
28 HE2 TYR 4 2HE TYR 4 -0.936 -5.176 -4.092
29 HH TYR 4 HH TYR 4 -3.150 -3.189 -5.473
30 H LYS 5 H LYS 5 2.596 -3.789 1.297
31 HA LYS 5 HA LYS 5 3.972 -1.632 2.575
32 HB2 LYS 5 2HB LYS 5 4.193 -4.618 2.920
33 HB3 LYS 5 1HB LYS 5 5.085 -3.447 3.883
34 HG2 LYS 5 2HG LYS 5 2.950 -2.504 4.679
35 HG3 LYS 5 1HG LYS 5 2.083 -3.727 3.763
36 HD2 LYS 5 2HD LYS 5 4.077 -4.302 5.950
37 HD3 LYS 5 1HD LYS 5 2.329 -4.275 6.174
38 HE2 LYS 5 2HE LYS 5 2.084 -6.115 4.602
39 HE3 LYS 5 1HE LYS 5 3.821 -6.121 4.306
40 HZ1 LYS 5 1HZ LYS 5 3.078 -7.826 5.889
41 HZ2 LYS 5 2HZ LYS 5 2.603 -6.632 6.974
42 HZ3 LYS 5 3HZ LYS 5 4.217 -6.785 6.539
43 H SER 6 H SER 6 5.261 -0.664 1.300
44 HA SER 6 HA SER 6 7.717 -1.891 0.488
45 HB2 SER 6 2HB SER 6 5.905 -0.413 -1.469
46 HB3 SER 6 1HB SER 6 7.520 -1.033 -1.816
47 HG SER 6 HG SER 6 6.035 -2.977 -0.800
48 H LYS 7 H LYS 7 8.881 0.319 -0.616
49 HA LYS 7 HA LYS 7 8.010 2.505 1.116
50 HB2 LYS 7 2HB LYS 7 10.114 1.460 1.879
51 HB3 LYS 7 1HB LYS 7 10.852 1.838 0.329
52 HG2 LYS 7 2HG LYS 7 10.531 4.226 0.767
53 HG3 LYS 7 1HG LYS 7 9.825 3.838 2.334
54 HD2 LYS 7 2HD LYS 7 12.634 3.167 1.455
55 HD3 LYS 7 1HD LYS 7 12.185 4.488 2.531
56 HE2 LYS 7 2HE LYS 7 11.291 2.848 4.143
57 HE3 LYS 7 1HE LYS 7 11.769 1.542 3.063
58 HZ1 LYS 7 1HZ LYS 7 13.419 1.864 4.776
59 HZ2 LYS 7 2HZ LYS 7 13.599 3.489 4.321
60 HZ3 LYS 7 3HZ LYS 7 14.055 2.274 3.268
61 HA PRO 8 HA PRO 8 7.378 4.418 1.148
62 HB2 PRO 8 2HB PRO 8 5.423 5.970 0.122
63 HB3 PRO 8 1HB PRO 8 7.083 6.550 0.297
64 HG2 PRO 8 2HG PRO 8 5.691 5.489 -2.127
65 HG3 PRO 8 1HG PRO 8 6.745 6.905 -1.986
66 HD2 PRO 8 2HD PRO 8 7.619 4.526 -2.955
67 HD3 PRO 8 1HD PRO 8 8.670 5.635 -2.056
68 HA PRO 9 HA PRO 9 4.146 1.359 1.082
69 HB2 PRO 9 2HB PRO 9 2.813 2.099 3.358
70 HB3 PRO 9 1HB PRO 9 4.318 1.175 3.347
71 HG2 PRO 9 2HG PRO 9 3.883 4.081 3.847
72 HG3 PRO 9 1HG PRO 9 5.022 2.969 4.623
73 HD2 PRO 9 2HD PRO 9 5.753 4.748 2.699
74 HD3 PRO 9 1HD PRO 9 6.577 3.200 2.957
75 H ILE 10 H ILE 10 2.502 1.387 -0.216
76 HA ILE 10 HA ILE 10 0.950 3.823 -0.588
77 HB ILE 10 HB ILE 10 0.935 1.250 -2.194
78 HG12 ILE 10 2HG1 ILE 10 2.301 3.884 -2.806
79 HG13 ILE 10 1HG1 ILE 10 3.119 2.426 -2.258
80 HG21 ILE 10 1HG2 ILE 10 -0.231 3.969 -2.806
81 HG22 ILE 10 2HG2 ILE 10 -1.138 2.510 -2.419
82 HG23 ILE 10 3HG2 ILE 10 -0.202 2.596 -3.912
83 HD11 ILE 10 1HD1 ILE 10 2.407 1.276 -4.300
84 HD12 ILE 10 2HD1 ILE 10 3.362 2.715 -4.650
85 HD13 ILE 10 3HD1 ILE 10 1.609 2.753 -4.841
86 H CYS 11 H CYS 11 -0.896 3.997 0.540
87 HA CYS 11 HA CYS 11 -2.441 1.563 0.945
88 HB2 CYS 11 2HB CYS 11 -1.950 3.738 2.968
89 HB3 CYS 11 1HB CYS 11 -3.270 2.585 3.121
90 H PHE 12 H PHE 12 -4.453 1.604 0.532
91 HA PHE 12 HA PHE 12 -5.659 4.061 -0.521
92 HB2 PHE 12 2HB PHE 12 -6.315 1.164 -1.126
93 HB3 PHE 12 1HB PHE 12 -7.168 2.544 -1.790
94 HD1 PHE 12 1HD PHE 12 -4.039 0.621 -1.861
95 HD2 PHE 12 2HD PHE 12 -6.223 3.847 -3.582
96 HE1 PHE 12 1HE PHE 12 -2.471 0.684 -3.758
97 HE2 PHE 12 2HE PHE 12 -4.659 3.902 -5.467
98 HZ PHE 12 HZ PHE 12 -2.779 2.310 -5.549
99 HA PRO 13 HA PRO 13 -8.307 4.134 3.071
100 HB2 PRO 13 2HB PRO 13 -10.531 5.235 1.821
101 HB3 PRO 13 1HB PRO 13 -9.169 6.155 2.462
102 HG2 PRO 13 2HG PRO 13 -9.690 5.257 -0.344
103 HG3 PRO 13 1HG PRO 13 -9.070 6.815 0.237
104 HD2 PRO 13 2HD PRO 13 -7.427 5.028 -0.799
105 HD3 PRO 13 1HD PRO 13 -6.945 5.947 0.648
106 H ASP 14 H ASP 14 -9.324 2.654 0.112
107 HA ASP 14 HA ASP 14 -11.708 1.432 0.968
108 HB2 ASP 14 2HB ASP 14 -9.785 0.586 -1.203
109 HB3 ASP 14 1HB ASP 14 -11.413 -0.052 -0.991
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.332 0.591 1.323
2 HA2 GLY 1 2HA GLY 1 -7.777 -0.174 3.677
3 HA3 GLY 1 1HA GLY 1 -9.105 -1.303 3.423
4 H ARG 2 H ARG 2 -6.105 -0.251 1.885
5 HA ARG 2 HA ARG 2 -5.204 -2.958 1.682
6 HB2 ARG 2 2HB ARG 2 -6.614 -2.999 -0.259
7 HB3 ARG 2 1HB ARG 2 -6.012 -1.438 -0.785
8 HG2 ARG 2 2HG ARG 2 -3.880 -2.385 -1.348
9 HG3 ARG 2 1HG ARG 2 -4.345 -3.940 -0.653
10 HD2 ARG 2 2HD ARG 2 -4.482 -3.802 -3.153
11 HD3 ARG 2 1HD ARG 2 -5.965 -4.311 -2.353
12 HE ARG 2 HE ARG 2 -6.404 -1.709 -2.585
13 HH11 ARG 2 1HH1 ARG 2 -5.090 -3.918 -4.989
14 HH12 ARG 2 2HH1 ARG 2 -5.872 -3.207 -6.320
15 HH21 ARG 2 1HH2 ARG 2 -7.488 -0.683 -4.392
16 HH22 ARG 2 2HH2 ARG 2 -7.299 -1.314 -5.956
17 H CYS 3 H CYS 3 -3.220 -2.652 2.438
18 HA CYS 3 HA CYS 3 -1.682 -0.418 1.357
19 HB2 CYS 3 2HB CYS 3 -1.363 -1.915 3.963
20 HB3 CYS 3 1HB CYS 3 -0.219 -0.724 3.357
21 H TYR 4 H TYR 4 -0.055 -0.829 0.123
22 HA TYR 4 HA TYR 4 0.949 -3.562 -0.047
23 HB2 TYR 4 2HB TYR 4 1.350 -1.166 -1.840
24 HB3 TYR 4 1HB TYR 4 2.162 -2.708 -2.058
25 HD1 TYR 4 1HD TYR 4 -0.603 -0.778 -3.021
26 HD2 TYR 4 2HD TYR 4 0.551 -4.772 -2.191
27 HE1 TYR 4 1HE TYR 4 -2.479 -1.617 -4.397
28 HE2 TYR 4 2HE TYR 4 -1.309 -5.602 -3.549
29 HH TYR 4 HH TYR 4 -2.940 -3.710 -5.688
30 H LYS 5 H LYS 5 2.814 -4.048 0.853
31 HA LYS 5 HA LYS 5 4.221 -1.989 2.225
32 HB2 LYS 5 2HB LYS 5 5.774 -3.835 2.972
33 HB3 LYS 5 1HB LYS 5 4.095 -4.047 3.416
34 HG2 LYS 5 2HG LYS 5 3.798 -5.674 1.668
35 HG3 LYS 5 1HG LYS 5 5.457 -5.425 1.107
36 HD2 LYS 5 2HD LYS 5 6.296 -6.233 3.245
37 HD3 LYS 5 1HD LYS 5 4.642 -6.415 3.837
38 HE2 LYS 5 2HE LYS 5 4.206 -8.079 2.118
39 HE3 LYS 5 1HE LYS 5 5.844 -7.883 1.493
40 HZ1 LYS 5 1HZ LYS 5 5.679 -9.827 2.914
41 HZ2 LYS 5 2HZ LYS 5 5.109 -8.883 4.188
42 HZ3 LYS 5 3HZ LYS 5 6.675 -8.675 3.632
43 H SER 6 H SER 6 5.375 -0.674 1.227
44 HA SER 6 HA SER 6 7.539 -1.490 -0.475
45 HB2 SER 6 2HB SER 6 5.380 0.452 -1.404
46 HB3 SER 6 1HB SER 6 6.842 0.026 -2.293
47 HG SER 6 HG SER 6 5.648 -2.220 -1.701
48 H LYS 7 H LYS 7 8.489 0.952 -1.136
49 HA LYS 7 HA LYS 7 8.239 2.547 1.296
50 HB2 LYS 7 2HB LYS 7 10.679 2.049 -0.406
51 HB3 LYS 7 1HB LYS 7 10.597 3.325 0.800
52 HG2 LYS 7 2HG LYS 7 10.280 1.673 2.550
53 HG3 LYS 7 1HG LYS 7 10.280 0.383 1.349
54 HD2 LYS 7 2HD LYS 7 12.546 0.865 0.742
55 HD3 LYS 7 1HD LYS 7 12.563 2.291 1.783
56 HE2 LYS 7 2HE LYS 7 12.169 -0.530 2.759
57 HE3 LYS 7 1HE LYS 7 13.723 0.298 2.733
58 HZ1 LYS 7 1HZ LYS 7 12.671 0.421 4.908
59 HZ2 LYS 7 2HZ LYS 7 11.324 1.193 4.256
60 HZ3 LYS 7 3HZ LYS 7 12.805 1.963 4.237
61 HA PRO 8 HA PRO 8 7.146 3.989 1.897
62 HB2 PRO 8 2HB PRO 8 5.012 5.585 1.754
63 HB3 PRO 8 1HB PRO 8 6.640 6.271 1.825
64 HG2 PRO 8 2HG PRO 8 4.870 5.843 -0.551
65 HG3 PRO 8 1HG PRO 8 5.823 7.275 -0.120
66 HD2 PRO 8 2HD PRO 8 6.662 5.412 -1.925
67 HD3 PRO 8 1HD PRO 8 7.770 6.378 -0.933
68 HA PRO 9 HA PRO 9 3.917 0.928 1.238
69 HB2 PRO 9 2HB PRO 9 2.425 2.084 3.531
70 HB3 PRO 9 1HB PRO 9 3.036 0.441 3.317
71 HG2 PRO 9 2HG PRO 9 4.210 2.105 5.026
72 HG3 PRO 9 1HG PRO 9 5.170 1.001 4.026
73 HD2 PRO 9 2HD PRO 9 4.667 3.930 3.650
74 HD3 PRO 9 1HD PRO 9 6.176 3.012 3.459
75 H ILE 10 H ILE 10 2.311 0.986 -0.165
76 HA ILE 10 HA ILE 10 0.935 3.522 -0.579
77 HB ILE 10 HB ILE 10 0.946 1.048 -2.347
78 HG12 ILE 10 2HG1 ILE 10 2.492 3.643 -2.612
79 HG13 ILE 10 1HG1 ILE 10 3.176 2.104 -2.114
80 HG21 ILE 10 1HG2 ILE 10 0.026 2.560 -4.064
81 HG22 ILE 10 2HG2 ILE 10 -0.006 3.873 -2.889
82 HG23 ILE 10 3HG2 ILE 10 -1.042 2.465 -2.663
83 HD11 ILE 10 1HD1 ILE 10 1.955 2.710 -4.797
84 HD12 ILE 10 2HD1 ILE 10 2.656 1.168 -4.304
85 HD13 ILE 10 3HD1 ILE 10 3.678 2.599 -4.437
86 H CYS 11 H CYS 11 -0.782 3.715 0.642
87 HA CYS 11 HA CYS 11 -2.489 1.399 1.104
88 HB2 CYS 11 2HB CYS 11 -2.147 3.945 2.681
89 HB3 CYS 11 1HB CYS 11 -3.378 2.733 3.016
90 H PHE 12 H PHE 12 -4.207 1.309 -0.019
91 HA PHE 12 HA PHE 12 -5.358 3.702 -1.147
92 HB2 PHE 12 2HB PHE 12 -6.052 0.769 -1.467
93 HB3 PHE 12 1HB PHE 12 -6.968 2.064 -2.223
94 HD1 PHE 12 1HD PHE 12 -6.137 3.232 -4.122
95 HD2 PHE 12 2HD PHE 12 -3.730 0.301 -2.194
96 HE1 PHE 12 1HE PHE 12 -4.592 3.259 -6.026
97 HE2 PHE 12 2HE PHE 12 -2.175 0.334 -4.107
98 HZ PHE 12 HZ PHE 12 -2.606 1.804 -6.020
99 HA PRO 13 HA PRO 13 -7.882 4.592 2.308
100 HB2 PRO 13 2HB PRO 13 -10.089 5.564 0.872
101 HB3 PRO 13 1HB PRO 13 -8.711 6.496 1.454
102 HG2 PRO 13 2HG PRO 13 -9.215 5.349 -1.244
103 HG3 PRO 13 1HG PRO 13 -8.392 6.850 -0.800
104 HD2 PRO 13 2HD PRO 13 -7.037 4.695 -1.610
105 HD3 PRO 13 1HD PRO 13 -6.395 5.752 -0.333
106 H ASP 14 H ASP 14 -9.231 2.501 -0.149
107 HA ASP 14 HA ASP 14 -11.610 1.796 1.229
108 HB2 ASP 14 2HB ASP 14 -11.307 1.218 -1.134
109 HB3 ASP 14 1HB ASP 14 -9.963 0.165 -0.713
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -7.947 1.001 1.791
2 HA2 GLY 1 2HA GLY 1 -7.160 0.426 4.008
3 HA3 GLY 1 1HA GLY 1 -8.501 -0.715 4.122
4 H ARG 2 H ARG 2 -6.401 -0.140 1.372
5 HA ARG 2 HA ARG 2 -5.440 -2.888 1.672
6 HB2 ARG 2 2HB ARG 2 -6.953 -2.668 -0.282
7 HB3 ARG 2 1HB ARG 2 -5.951 -1.374 -0.901
8 HG2 ARG 2 2HG ARG 2 -5.580 -3.505 -2.066
9 HG3 ARG 2 1HG ARG 2 -4.121 -2.901 -1.282
10 HD2 ARG 2 2HD ARG 2 -4.414 -5.331 -0.997
11 HD3 ARG 2 1HD ARG 2 -4.407 -4.475 0.537
12 HE ARG 2 HE ARG 2 -7.053 -4.799 -0.394
13 HH11 ARG 2 1HH1 ARG 2 -4.417 -6.727 0.980
14 HH12 ARG 2 2HH1 ARG 2 -5.457 -7.831 1.752
15 HH21 ARG 2 1HH2 ARG 2 -8.455 -6.336 0.669
16 HH22 ARG 2 2HH2 ARG 2 -7.775 -7.598 1.581
17 H CYS 3 H CYS 3 -3.517 -2.562 2.578
18 HA CYS 3 HA CYS 3 -1.825 -0.425 1.528
19 HB2 CYS 3 2HB CYS 3 -1.520 -2.051 4.058
20 HB3 CYS 3 1HB CYS 3 -0.512 -0.699 3.572
21 H TYR 4 H TYR 4 -0.167 -0.918 0.259
22 HA TYR 4 HA TYR 4 0.652 -3.713 0.080
23 HB2 TYR 4 2HB TYR 4 -0.155 -2.559 -2.003
24 HB3 TYR 4 1HB TYR 4 1.184 -1.430 -1.804
25 HD1 TYR 4 1HD TYR 4 3.111 -1.812 -2.985
26 HD2 TYR 4 2HD TYR 4 0.632 -5.126 -2.022
27 HE1 TYR 4 1HE TYR 4 4.619 -3.290 -4.206
28 HE2 TYR 4 2HE TYR 4 2.139 -6.615 -3.246
29 HH TYR 4 HH TYR 4 5.231 -5.660 -4.188
30 H LYS 5 H LYS 5 2.725 -4.269 0.384
31 HA LYS 5 HA LYS 5 4.303 -2.562 1.991
32 HB2 LYS 5 2HB LYS 5 5.961 -4.491 1.926
33 HB3 LYS 5 1HB LYS 5 4.383 -4.817 2.618
34 HG2 LYS 5 2HG LYS 5 3.705 -5.930 0.544
35 HG3 LYS 5 1HG LYS 5 5.288 -5.581 -0.159
36 HD2 LYS 5 2HD LYS 5 6.374 -6.914 1.533
37 HD3 LYS 5 1HD LYS 5 4.839 -7.192 2.353
38 HE2 LYS 5 2HE LYS 5 4.028 -8.449 0.443
39 HE3 LYS 5 1HE LYS 5 5.510 -8.102 -0.446
40 HZ1 LYS 5 1HZ LYS 5 5.517 -10.325 0.559
41 HZ2 LYS 5 2HZ LYS 5 5.352 -9.641 2.089
42 HZ3 LYS 5 3HZ LYS 5 6.741 -9.343 1.184
43 H SER 6 H SER 6 5.067 -0.863 1.062
44 HA SER 6 HA SER 6 7.302 -1.122 -0.764
45 HB2 SER 6 2HB SER 6 4.958 0.744 -1.282
46 HB3 SER 6 1HB SER 6 6.444 0.666 -2.230
47 HG SER 6 HG SER 6 5.329 -1.759 -1.950
48 H LYS 7 H LYS 7 8.219 1.339 -0.945
49 HA LYS 7 HA LYS 7 7.872 2.574 1.685
50 HB2 LYS 7 2HB LYS 7 10.046 1.385 1.500
51 HB3 LYS 7 1HB LYS 7 10.446 2.383 0.112
52 HG2 LYS 7 2HG LYS 7 10.335 4.379 1.532
53 HG3 LYS 7 1HG LYS 7 9.985 3.351 2.921
54 HD2 LYS 7 2HD LYS 7 12.126 2.189 2.562
55 HD3 LYS 7 1HD LYS 7 12.478 3.292 1.233
56 HE2 LYS 7 2HE LYS 7 12.335 5.185 2.787
57 HE3 LYS 7 1HE LYS 7 12.026 4.061 4.107
58 HZ1 LYS 7 1HZ LYS 7 14.227 3.055 3.625
59 HZ2 LYS 7 2HZ LYS 7 14.303 4.652 4.110
60 HZ3 LYS 7 3HZ LYS 7 14.510 4.277 2.493
61 HA PRO 8 HA PRO 8 6.761 4.099 2.380
62 HB2 PRO 8 2HB PRO 8 4.593 5.818 1.414
63 HB3 PRO 8 1HB PRO 8 5.662 6.062 2.793
64 HG2 PRO 8 2HG PRO 8 5.804 7.601 0.597
65 HG3 PRO 8 1HG PRO 8 7.241 7.176 1.544
66 HD2 PRO 8 2HD PRO 8 6.225 5.948 -0.994
67 HD3 PRO 8 1HD PRO 8 7.878 6.451 -0.581
68 HA PRO 9 HA PRO 9 3.858 0.942 1.193
69 HB2 PRO 9 2HB PRO 9 2.036 1.906 3.327
70 HB3 PRO 9 1HB PRO 9 2.741 0.302 3.096
71 HG2 PRO 9 2HG PRO 9 3.629 1.909 5.016
72 HG3 PRO 9 1HG PRO 9 4.739 0.894 4.075
73 HD2 PRO 9 2HD PRO 9 4.196 3.821 3.840
74 HD3 PRO 9 1HD PRO 9 5.738 2.942 3.728
75 H ILE 10 H ILE 10 2.644 1.112 -0.537
76 HA ILE 10 HA ILE 10 1.005 3.407 -1.057
77 HB ILE 10 HB ILE 10 1.138 0.761 -2.553
78 HG12 ILE 10 2HG1 ILE 10 2.612 3.342 -3.148
79 HG13 ILE 10 1HG1 ILE 10 3.344 1.917 -2.423
80 HG21 ILE 10 1HG2 ILE 10 0.209 2.045 -4.443
81 HG22 ILE 10 2HG2 ILE 10 0.107 3.473 -3.414
82 HG23 ILE 10 3HG2 ILE 10 -0.876 2.056 -3.051
83 HD11 ILE 10 1HD1 ILE 10 2.122 2.076 -5.171
84 HD12 ILE 10 2HD1 ILE 10 2.882 0.651 -4.458
85 HD13 ILE 10 3HD1 ILE 10 3.842 2.090 -4.794
86 H CYS 11 H CYS 11 -0.739 3.526 0.239
87 HA CYS 11 HA CYS 11 -2.297 1.077 0.438
88 HB2 CYS 11 2HB CYS 11 -1.181 1.657 2.594
89 HB3 CYS 11 1HB CYS 11 -2.087 3.166 2.605
90 H PHE 12 H PHE 12 -4.041 1.146 -0.480
91 HA PHE 12 HA PHE 12 -5.211 3.557 -1.442
92 HB2 PHE 12 2HB PHE 12 -6.165 0.683 -1.625
93 HB3 PHE 12 1HB PHE 12 -6.856 2.044 -2.500
94 HD1 PHE 12 1HD PHE 12 -5.412 3.283 -4.150
95 HD2 PHE 12 2HD PHE 12 -4.308 -0.480 -2.492
96 HE1 PHE 12 1HE PHE 12 -3.811 2.946 -5.988
97 HE2 PHE 12 2HE PHE 12 -2.704 -0.820 -4.330
98 HZ PHE 12 HZ PHE 12 -2.457 0.887 -6.078
99 HA PRO 13 HA PRO 13 -7.631 4.737 2.037
100 HB2 PRO 13 2HB PRO 13 -9.931 5.488 0.586
101 HB3 PRO 13 1HB PRO 13 -8.572 6.519 1.039
102 HG2 PRO 13 2HG PRO 13 -9.105 5.083 -1.514
103 HG3 PRO 13 1HG PRO 13 -8.352 6.664 -1.246
104 HD2 PRO 13 2HD PRO 13 -6.889 4.563 -1.894
105 HD3 PRO 13 1HD PRO 13 -6.293 5.720 -0.683
106 H ASP 14 H ASP 14 -8.965 2.325 -0.098
107 HA ASP 14 HA ASP 14 -11.285 1.619 1.388
108 HB2 ASP 14 2HB ASP 14 -10.902 0.783 -0.890
109 HB3 ASP 14 1HB ASP 14 -9.501 -0.123 -0.336
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -8.216 0.576 1.551
2 HA2 GLY 1 2HA GLY 1 -7.462 -0.537 3.688
3 HA3 GLY 1 1HA GLY 1 -8.828 -1.613 3.413
4 H ARG 2 H ARG 2 -6.295 -0.298 1.313
5 HA ARG 2 HA ARG 2 -5.441 -3.043 0.805
6 HB2 ARG 2 2HB ARG 2 -7.015 -2.320 -1.025
7 HB3 ARG 2 1HB ARG 2 -5.907 -1.010 -1.397
8 HG2 ARG 2 2HG ARG 2 -5.594 -2.814 -2.973
9 HG3 ARG 2 1HG ARG 2 -4.167 -2.670 -1.949
10 HD2 ARG 2 2HD ARG 2 -4.858 -5.020 -2.298
11 HD3 ARG 2 1HD ARG 2 -4.889 -4.547 -0.601
12 HE ARG 2 HE ARG 2 -7.405 -4.176 -1.869
13 HH11 ARG 2 1HH1 ARG 2 -5.343 -6.702 -0.445
14 HH12 ARG 2 2HH1 ARG 2 -6.662 -7.673 0.035
15 HH21 ARG 2 1HH2 ARG 2 -9.190 -5.524 -1.142
16 HH22 ARG 2 2HH2 ARG 2 -8.847 -7.021 -0.379
17 H CYS 3 H CYS 3 -3.676 -2.572 2.095
18 HA CYS 3 HA CYS 3 -1.934 -0.396 1.230
19 HB2 CYS 3 2HB CYS 3 -1.783 -2.097 3.728
20 HB3 CYS 3 1HB CYS 3 -0.812 -0.679 3.365
21 H TYR 4 H TYR 4 0.058 -0.781 0.377
22 HA TYR 4 HA TYR 4 0.761 -3.585 -0.036
23 HB2 TYR 4 2HB TYR 4 1.633 -1.098 -1.530
24 HB3 TYR 4 1HB TYR 4 2.211 -2.722 -1.872
25 HD1 TYR 4 1HD TYR 4 0.878 -4.259 -3.148
26 HD2 TYR 4 2HD TYR 4 -0.722 -0.497 -1.988
27 HE1 TYR 4 1HE TYR 4 -0.995 -4.595 -4.677
28 HE2 TYR 4 2HE TYR 4 -2.607 -0.820 -3.506
29 HH TYR 4 HH TYR 4 -3.316 -3.789 -4.958
30 H LYS 5 H LYS 5 2.711 -4.336 0.624
31 HA LYS 5 HA LYS 5 4.106 -2.699 2.525
32 HB2 LYS 5 2HB LYS 5 5.481 -4.745 2.975
33 HB3 LYS 5 1HB LYS 5 3.761 -4.988 3.204
34 HG2 LYS 5 2HG LYS 5 3.661 -6.079 0.975
35 HG3 LYS 5 1HG LYS 5 5.407 -5.903 0.848
36 HD2 LYS 5 2HD LYS 5 3.946 -7.454 2.990
37 HD3 LYS 5 1HD LYS 5 4.728 -8.160 1.580
38 HE2 LYS 5 2HE LYS 5 6.094 -6.581 3.754
39 HE3 LYS 5 1HE LYS 5 6.110 -8.336 3.608
40 HZ1 LYS 5 1HZ LYS 5 7.315 -8.086 1.499
41 HZ2 LYS 5 2HZ LYS 5 8.117 -7.325 2.769
42 HZ3 LYS 5 3HZ LYS 5 7.278 -6.405 1.669
43 H SER 6 H SER 6 4.881 -1.118 1.281
44 HA SER 6 HA SER 6 7.419 -1.600 0.009
45 HB2 SER 6 2HB SER 6 5.137 -0.175 -1.422
46 HB3 SER 6 1HB SER 6 6.773 -0.403 -2.041
47 HG SER 6 HG SER 6 5.827 -2.751 -1.317
48 H LYS 7 H LYS 7 8.524 0.515 -0.211
49 HA LYS 7 HA LYS 7 7.345 2.634 1.447
50 HB2 LYS 7 2HB LYS 7 10.243 1.813 1.268
51 HB3 LYS 7 1HB LYS 7 9.645 3.181 2.192
52 HG2 LYS 7 2HG LYS 7 8.359 1.627 3.623
53 HG3 LYS 7 1HG LYS 7 9.019 0.270 2.713
54 HD2 LYS 7 2HD LYS 7 10.649 2.279 4.277
55 HD3 LYS 7 1HD LYS 7 10.214 0.672 4.836
56 HE2 LYS 7 2HE LYS 7 11.505 -0.366 3.111
57 HE3 LYS 7 1HE LYS 7 11.801 1.174 2.315
58 HZ1 LYS 7 1HZ LYS 7 13.090 1.876 4.209
59 HZ2 LYS 7 2HZ LYS 7 13.707 0.437 3.602
60 HZ3 LYS 7 3HZ LYS 7 12.792 0.431 5.014
61 HA PRO 8 HA PRO 8 7.142 4.900 1.519
62 HB2 PRO 8 2HB PRO 8 5.277 6.323 0.102
63 HB3 PRO 8 1HB PRO 8 6.877 6.949 0.513
64 HG2 PRO 8 2HG PRO 8 5.932 5.703 -2.039
65 HG3 PRO 8 1HG PRO 8 6.937 7.144 -1.807
66 HD2 PRO 8 2HD PRO 8 8.013 4.776 -2.472
67 HD3 PRO 8 1HD PRO 8 8.842 5.904 -1.380
68 HA PRO 9 HA PRO 9 3.944 1.810 1.590
69 HB2 PRO 9 2HB PRO 9 2.509 3.614 3.445
70 HB3 PRO 9 1HB PRO 9 3.057 1.952 3.689
71 HG2 PRO 9 2HG PRO 9 4.307 3.982 4.871
72 HG3 PRO 9 1HG PRO 9 5.212 2.598 4.231
73 HD2 PRO 9 2HD PRO 9 4.842 5.327 3.056
74 HD3 PRO 9 1HD PRO 9 6.294 4.299 3.144
75 H ILE 10 H ILE 10 2.848 1.765 -0.230
76 HA ILE 10 HA ILE 10 0.994 3.880 -0.943
77 HB ILE 10 HB ILE 10 1.728 1.314 -2.395
78 HG12 ILE 10 2HG1 ILE 10 2.579 4.170 -2.934
79 HG13 ILE 10 1HG1 ILE 10 3.587 2.943 -2.180
80 HG21 ILE 10 1HG2 ILE 10 -0.513 2.083 -3.009
81 HG22 ILE 10 2HG2 ILE 10 0.614 2.315 -4.346
82 HG23 ILE 10 3HG2 ILE 10 0.127 3.690 -3.356
83 HD11 ILE 10 1HD1 ILE 10 3.512 1.631 -4.241
84 HD12 ILE 10 2HD1 ILE 10 4.162 3.248 -4.513
85 HD13 ILE 10 3HD1 ILE 10 2.504 2.871 -4.986
86 H CYS 11 H CYS 11 -0.915 3.780 0.127
87 HA CYS 11 HA CYS 11 -2.251 1.206 0.094
88 HB2 CYS 11 2HB CYS 11 -1.351 1.523 2.362
89 HB3 CYS 11 1HB CYS 11 -2.191 3.070 2.463
90 H PHE 12 H PHE 12 -4.320 1.254 -0.351
91 HA PHE 12 HA PHE 12 -5.497 3.815 -1.055
92 HB2 PHE 12 2HB PHE 12 -6.395 0.978 -1.635
93 HB3 PHE 12 1HB PHE 12 -7.289 2.411 -2.120
94 HD1 PHE 12 1HD PHE 12 -4.437 0.275 -2.836
95 HD2 PHE 12 2HD PHE 12 -6.374 3.935 -3.800
96 HE1 PHE 12 1HE PHE 12 -3.110 0.445 -4.925
97 HE2 PHE 12 2HE PHE 12 -5.063 4.091 -5.861
98 HZ PHE 12 HZ PHE 12 -3.432 2.342 -6.418
99 HA PRO 13 HA PRO 13 -7.483 4.286 2.801
100 HB2 PRO 13 2HB PRO 13 -9.819 5.523 1.902
101 HB3 PRO 13 1HB PRO 13 -8.297 6.322 2.296
102 HG2 PRO 13 2HG PRO 13 -9.360 5.476 -0.357
103 HG3 PRO 13 1HG PRO 13 -8.433 6.921 0.073
104 HD2 PRO 13 2HD PRO 13 -7.291 4.879 -1.188
105 HD3 PRO 13 1HD PRO 13 -6.414 5.779 0.069
106 H ASP 14 H ASP 14 -9.277 2.589 0.314
107 HA ASP 14 HA ASP 14 -11.428 1.773 1.982
108 HB2 ASP 14 2HB ASP 14 -11.678 1.512 -0.416
109 HB3 ASP 14 1HB ASP 14 -10.297 0.420 -0.482
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -8.195 0.526 1.407
2 HA2 GLY 1 2HA GLY 1 -7.705 -0.796 3.418
3 HA3 GLY 1 1HA GLY 1 -8.853 -1.984 2.812
4 H ARG 2 H ARG 2 -6.189 -0.214 1.288
5 HA ARG 2 HA ARG 2 -4.862 -2.768 0.842
6 HB2 ARG 2 2HB ARG 2 -6.150 -2.361 -1.196
7 HB3 ARG 2 1HB ARG 2 -5.456 -0.755 -1.340
8 HG2 ARG 2 2HG ARG 2 -4.382 -2.257 -2.913
9 HG3 ARG 2 1HG ARG 2 -3.225 -1.781 -1.673
10 HD2 ARG 2 2HD ARG 2 -3.043 -4.165 -2.158
11 HD3 ARG 2 1HD ARG 2 -3.609 -3.902 -0.509
12 HE ARG 2 HE ARG 2 -5.768 -4.211 -2.324
13 HH11 ARG 2 1HH1 ARG 2 -3.376 -6.146 -0.501
14 HH12 ARG 2 2HH1 ARG 2 -4.388 -7.521 -0.477
15 HH21 ARG 2 1HH2 ARG 2 -7.065 -6.112 -2.262
16 HH22 ARG 2 2HH2 ARG 2 -6.497 -7.511 -1.491
17 H CYS 3 H CYS 3 -2.977 -2.504 1.783
18 HA CYS 3 HA CYS 3 -1.524 -0.020 1.283
19 HB2 CYS 3 2HB CYS 3 -1.590 -1.687 3.799
20 HB3 CYS 3 1HB CYS 3 -0.382 -0.449 3.484
21 H TYR 4 H TYR 4 0.424 -0.247 0.498
22 HA TYR 4 HA TYR 4 1.372 -2.909 -0.150
23 HB2 TYR 4 2HB TYR 4 2.520 -0.179 -0.771
24 HB3 TYR 4 1HB TYR 4 3.160 -1.698 -1.383
25 HD1 TYR 4 1HD TYR 4 2.032 -2.853 -3.205
26 HD2 TYR 4 2HD TYR 4 0.446 0.719 -1.569
27 HE1 TYR 4 1HE TYR 4 0.540 -2.633 -5.142
28 HE2 TYR 4 2HE TYR 4 -1.032 0.968 -3.473
29 HH TYR 4 HH TYR 4 -1.100 0.237 -5.828
30 H LYS 5 H LYS 5 3.379 -3.700 0.526
31 HA LYS 5 HA LYS 5 4.320 -2.484 3.004
32 HB2 LYS 5 2HB LYS 5 5.490 -4.601 3.434
33 HB3 LYS 5 1HB LYS 5 3.774 -4.838 3.158
34 HG2 LYS 5 2HG LYS 5 4.242 -5.601 0.880
35 HG3 LYS 5 1HG LYS 5 5.970 -5.360 1.156
36 HD2 LYS 5 2HD LYS 5 5.405 -7.702 1.440
37 HD3 LYS 5 1HD LYS 5 5.870 -7.009 2.993
38 HE2 LYS 5 2HE LYS 5 3.488 -6.749 3.576
39 HE3 LYS 5 1HE LYS 5 3.044 -7.463 2.029
40 HZ1 LYS 5 1HZ LYS 5 4.173 -9.488 2.719
41 HZ2 LYS 5 2HZ LYS 5 2.938 -9.076 3.777
42 HZ3 LYS 5 3HZ LYS 5 4.543 -8.795 4.213
43 H SER 6 H SER 6 5.022 -2.605 -0.228
44 HA SER 6 HA SER 6 7.846 -2.197 0.001
45 HB2 SER 6 2HB SER 6 5.963 -1.616 -2.291
46 HB3 SER 6 1HB SER 6 7.718 -1.790 -2.386
47 HG SER 6 HG SER 6 7.380 -3.957 -1.582
48 H LYS 7 H LYS 7 8.679 -0.298 0.606
49 HA LYS 7 HA LYS 7 6.949 1.941 1.037
50 HB2 LYS 7 2HB LYS 7 9.922 1.632 1.457
51 HB3 LYS 7 1HB LYS 7 8.983 3.038 1.951
52 HG2 LYS 7 2HG LYS 7 7.643 1.608 3.422
53 HG3 LYS 7 1HG LYS 7 8.617 0.222 2.936
54 HD2 LYS 7 2HD LYS 7 10.604 1.288 3.860
55 HD3 LYS 7 1HD LYS 7 9.636 2.698 4.304
56 HE2 LYS 7 2HE LYS 7 8.279 1.320 5.779
57 HE3 LYS 7 1HE LYS 7 9.208 -0.103 5.321
58 HZ1 LYS 7 1HZ LYS 7 9.929 0.775 7.429
59 HZ2 LYS 7 2HZ LYS 7 10.254 2.270 6.751
60 HZ3 LYS 7 3HZ LYS 7 11.171 0.928 6.304
61 HA PRO 8 HA PRO 8 7.038 4.265 1.199
62 HB2 PRO 8 2HB PRO 8 5.339 5.921 -0.122
63 HB3 PRO 8 1HB PRO 8 7.038 6.322 0.166
64 HG2 PRO 8 2HG PRO 8 5.753 5.195 -2.295
65 HG3 PRO 8 1HG PRO 8 6.949 6.495 -2.158
66 HD2 PRO 8 2HD PRO 8 7.625 3.977 -2.835
67 HD3 PRO 8 1HD PRO 8 8.706 5.025 -1.895
68 HA PRO 9 HA PRO 9 3.572 1.402 0.987
69 HB2 PRO 9 2HB PRO 9 2.731 2.584 3.540
70 HB3 PRO 9 1HB PRO 9 3.205 0.920 3.175
71 HG2 PRO 9 2HG PRO 9 4.767 2.538 4.613
72 HG3 PRO 9 1HG PRO 9 5.449 1.351 3.483
73 HD2 PRO 9 2HD PRO 9 5.038 4.297 3.131
74 HD3 PRO 9 1HD PRO 9 6.447 3.286 2.721
75 H ILE 10 H ILE 10 2.324 2.200 -0.549
76 HA ILE 10 HA ILE 10 0.723 4.537 -0.150
77 HB ILE 10 HB ILE 10 0.730 2.474 -2.380
78 HG12 ILE 10 2HG1 ILE 10 2.819 3.715 -2.307
79 HG13 ILE 10 1HG1 ILE 10 1.877 4.214 -3.705
80 HG21 ILE 10 1HG2 ILE 10 -0.676 5.117 -2.271
81 HG22 ILE 10 2HG2 ILE 10 -1.432 3.522 -2.242
82 HG23 ILE 10 3HG2 ILE 10 -0.570 4.064 -3.685
83 HD11 ILE 10 1HD1 ILE 10 2.939 6.119 -2.657
84 HD12 ILE 10 2HD1 ILE 10 2.186 5.730 -1.113
85 HD13 ILE 10 3HD1 ILE 10 1.187 6.236 -2.476
86 H CYS 11 H CYS 11 -1.150 4.520 0.876
87 HA CYS 11 HA CYS 11 -2.558 1.988 1.151
88 HB2 CYS 11 2HB CYS 11 -2.330 4.314 3.041
89 HB3 CYS 11 1HB CYS 11 -3.595 3.101 3.188
90 H PHE 12 H PHE 12 -4.345 1.847 0.195
91 HA PHE 12 HA PHE 12 -5.788 4.250 -0.594
92 HB2 PHE 12 2HB PHE 12 -6.232 1.346 -1.358
93 HB3 PHE 12 1HB PHE 12 -7.150 2.705 -1.976
94 HD1 PHE 12 1HD PHE 12 -5.770 4.567 -3.167
95 HD2 PHE 12 2HD PHE 12 -4.414 0.579 -2.571
96 HE1 PHE 12 1HE PHE 12 -4.186 4.821 -5.038
97 HE2 PHE 12 2HE PHE 12 -2.840 0.829 -4.427
98 HZ PHE 12 HZ PHE 12 -2.719 2.954 -5.663
99 HA PRO 13 HA PRO 13 -8.341 3.896 3.018
100 HB2 PRO 13 2HB PRO 13 -10.661 4.994 1.936
101 HB3 PRO 13 1HB PRO 13 -9.327 5.908 2.642
102 HG2 PRO 13 2HG PRO 13 -9.912 5.310 -0.220
103 HG3 PRO 13 1HG PRO 13 -9.277 6.797 0.504
104 HD2 PRO 13 2HD PRO 13 -7.684 5.084 -0.804
105 HD3 PRO 13 1HD PRO 13 -7.117 5.943 0.646
106 H ASP 14 H ASP 14 -9.261 2.458 0.023
107 HA ASP 14 HA ASP 14 -11.566 1.028 0.825
108 HB2 ASP 14 2HB ASP 14 -10.956 1.242 -1.520
109 HB3 ASP 14 1HB ASP 14 -9.467 0.350 -1.244
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -8.114 0.450 1.899
2 HA2 GLY 1 2HA GLY 1 -7.301 -1.264 3.278
3 HA3 GLY 1 1HA GLY 1 -8.570 -2.324 2.674
4 H ARG 2 H ARG 2 -6.195 -0.357 0.993
5 HA ARG 2 HA ARG 2 -4.891 -2.788 0.105
6 HB2 ARG 2 2HB ARG 2 -6.519 -2.275 -1.666
7 HB3 ARG 2 1HB ARG 2 -5.881 -0.650 -1.793
8 HG2 ARG 2 2HG ARG 2 -5.121 -2.051 -3.640
9 HG3 ARG 2 1HG ARG 2 -3.765 -1.532 -2.646
10 HD2 ARG 2 2HD ARG 2 -5.103 -4.209 -2.284
11 HD3 ARG 2 1HD ARG 2 -3.788 -3.969 -3.430
12 HE ARG 2 HE ARG 2 -2.567 -3.110 -1.336
13 HH11 ARG 2 1HH1 ARG 2 -4.887 -5.810 -1.307
14 HH12 ARG 2 2HH1 ARG 2 -4.103 -6.632 -0.047
15 HH21 ARG 2 1HH2 ARG 2 -1.514 -4.292 0.456
16 HH22 ARG 2 2HH2 ARG 2 -2.159 -5.790 0.925
17 H CYS 3 H CYS 3 -3.222 -2.283 1.369
18 HA CYS 3 HA CYS 3 -1.791 0.154 0.654
19 HB2 CYS 3 2HB CYS 3 -1.787 -1.259 3.333
20 HB3 CYS 3 1HB CYS 3 -1.111 0.327 2.965
21 H TYR 4 H TYR 4 0.322 -0.061 0.249
22 HA TYR 4 HA TYR 4 1.200 -2.768 -0.305
23 HB2 TYR 4 2HB TYR 4 2.472 -0.091 -0.944
24 HB3 TYR 4 1HB TYR 4 3.077 -1.652 -1.499
25 HD1 TYR 4 1HD TYR 4 0.432 0.852 -1.857
26 HD2 TYR 4 2HD TYR 4 1.929 -2.854 -3.291
27 HE1 TYR 4 1HE TYR 4 -1.048 1.023 -3.777
28 HE2 TYR 4 2HE TYR 4 0.436 -2.706 -5.235
29 HH TYR 4 HH TYR 4 -1.165 0.143 -6.094
30 H LYS 5 H LYS 5 2.874 -3.767 0.701
31 HA LYS 5 HA LYS 5 3.411 -2.825 3.352
32 HB2 LYS 5 2HB LYS 5 3.065 -5.235 2.765
33 HB3 LYS 5 1HB LYS 5 4.599 -5.205 1.914
34 HG2 LYS 5 2HG LYS 5 4.935 -6.202 4.066
35 HG3 LYS 5 1HG LYS 5 5.713 -4.618 4.054
36 HD2 LYS 5 2HD LYS 5 3.807 -3.667 5.250
37 HD3 LYS 5 1HD LYS 5 3.003 -5.237 5.228
38 HE2 LYS 5 2HE LYS 5 4.011 -4.952 7.382
39 HE3 LYS 5 1HE LYS 5 4.925 -6.160 6.493
40 HZ1 LYS 5 1HZ LYS 5 5.722 -3.318 6.809
41 HZ2 LYS 5 2HZ LYS 5 6.603 -4.499 5.984
42 HZ3 LYS 5 3HZ LYS 5 6.377 -4.622 7.644
43 H SER 6 H SER 6 5.120 -3.058 0.338
44 HA SER 6 HA SER 6 7.593 -2.149 1.496
45 HB2 SER 6 2HB SER 6 6.833 -2.673 -1.384
46 HB3 SER 6 1HB SER 6 8.464 -2.366 -0.785
47 HG SER 6 HG SER 6 7.240 -4.683 -0.946
48 H LYS 7 H LYS 7 8.451 -0.177 1.230
49 HA LYS 7 HA LYS 7 6.619 1.996 0.851
50 HB2 LYS 7 2HB LYS 7 9.591 1.960 1.408
51 HB3 LYS 7 1HB LYS 7 8.554 3.377 1.497
52 HG2 LYS 7 2HG LYS 7 7.307 2.389 3.328
53 HG3 LYS 7 1HG LYS 7 8.269 0.916 3.206
54 HD2 LYS 7 2HD LYS 7 10.284 2.189 3.773
55 HD3 LYS 7 1HD LYS 7 9.321 3.660 3.887
56 HE2 LYS 7 2HE LYS 7 9.770 2.696 6.106
57 HE3 LYS 7 1HE LYS 7 8.048 2.721 5.737
58 HZ1 LYS 7 1HZ LYS 7 8.160 0.362 5.208
59 HZ2 LYS 7 2HZ LYS 7 8.752 0.620 6.753
60 HZ3 LYS 7 3HZ LYS 7 9.816 0.339 5.489
61 HA PRO 8 HA PRO 8 7.095 4.621 0.139
62 HB2 PRO 8 2HB PRO 8 5.243 5.450 -1.739
63 HB3 PRO 8 1HB PRO 8 6.887 6.072 -1.615
64 HG2 PRO 8 2HG PRO 8 5.789 3.964 -3.430
65 HG3 PRO 8 1HG PRO 8 6.944 5.260 -3.792
66 HD2 PRO 8 2HD PRO 8 7.776 2.757 -3.425
67 HD3 PRO 8 1HD PRO 8 8.712 4.129 -2.795
68 HA PRO 9 HA PRO 9 3.631 2.166 1.385
69 HB2 PRO 9 2HB PRO 9 2.893 3.617 3.561
70 HB3 PRO 9 1HB PRO 9 4.274 2.517 3.562
71 HG2 PRO 9 2HG PRO 9 4.218 5.485 3.374
72 HG3 PRO 9 1HG PRO 9 5.416 4.429 4.139
73 HD2 PRO 9 2HD PRO 9 5.701 5.640 1.658
74 HD3 PRO 9 1HD PRO 9 6.615 4.232 2.220
75 H ILE 10 H ILE 10 2.438 2.657 -0.427
76 HA ILE 10 HA ILE 10 0.600 4.898 -0.303
77 HB ILE 10 HB ILE 10 0.818 2.694 -2.392
78 HG12 ILE 10 2HG1 ILE 10 2.894 3.986 -2.342
79 HG13 ILE 10 1HG1 ILE 10 1.991 4.345 -3.804
80 HG21 ILE 10 1HG2 ILE 10 -1.361 3.741 -2.366
81 HG22 ILE 10 2HG2 ILE 10 -0.474 4.190 -3.823
82 HG23 ILE 10 3HG2 ILE 10 -0.620 5.338 -2.489
83 HD11 ILE 10 1HD1 ILE 10 1.219 6.444 -2.782
84 HD12 ILE 10 2HD1 ILE 10 2.977 6.352 -2.886
85 HD13 ILE 10 3HD1 ILE 10 2.171 6.078 -1.342
86 H CYS 11 H CYS 11 -1.023 4.589 1.038
87 HA CYS 11 HA CYS 11 -2.130 1.895 1.321
88 HB2 CYS 11 2HB CYS 11 -0.908 2.786 3.308
89 HB3 CYS 11 1HB CYS 11 -2.029 4.131 3.354
90 H PHE 12 H PHE 12 -3.910 1.855 0.077
91 HA PHE 12 HA PHE 12 -5.530 4.204 -0.200
92 HB2 PHE 12 2HB PHE 12 -6.037 1.412 -1.236
93 HB3 PHE 12 1HB PHE 12 -6.944 2.836 -1.660
94 HD1 PHE 12 1HD PHE 12 -5.374 4.847 -2.531
95 HD2 PHE 12 2HD PHE 12 -4.492 0.706 -2.810
96 HE1 PHE 12 1HE PHE 12 -3.891 5.299 -4.440
97 HE2 PHE 12 2HE PHE 12 -3.008 1.142 -4.715
98 HZ PHE 12 HZ PHE 12 -2.701 3.443 -5.533
99 HA PRO 13 HA PRO 13 -8.076 3.674 3.381
100 HB2 PRO 13 2HB PRO 13 -10.219 4.673 1.605
101 HB3 PRO 13 1HB PRO 13 -9.683 5.285 3.168
102 HG2 PRO 13 2HG PRO 13 -9.067 6.516 0.859
103 HG3 PRO 13 1HG PRO 13 -7.978 6.519 2.250
104 HD2 PRO 13 2HD PRO 13 -7.730 5.029 -0.318
105 HD3 PRO 13 1HD PRO 13 -6.501 5.579 0.834
106 H ASP 14 H ASP 14 -9.038 2.327 0.305
107 HA ASP 14 HA ASP 14 -11.267 0.836 1.328
108 HB2 ASP 14 2HB ASP 14 -9.797 0.737 -1.287
109 HB3 ASP 14 1HB ASP 14 -11.026 -0.453 -0.884
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -8.184 0.573 1.582
2 HA2 GLY 1 2HA GLY 1 -7.670 -0.798 3.527
3 HA3 GLY 1 1HA GLY 1 -8.696 -2.046 2.830
4 H ARG 2 H ARG 2 -6.962 -0.516 0.473
5 HA ARG 2 HA ARG 2 -5.302 -2.867 0.165
6 HB2 ARG 2 2HB ARG 2 -6.609 -1.966 -1.740
7 HB3 ARG 2 1HB ARG 2 -5.650 -0.501 -1.682
8 HG2 ARG 2 2HG ARG 2 -4.891 -1.933 -3.472
9 HG3 ARG 2 1HG ARG 2 -3.645 -1.807 -2.233
10 HD2 ARG 2 2HD ARG 2 -3.887 -4.104 -3.055
11 HD3 ARG 2 1HD ARG 2 -4.277 -3.985 -1.343
12 HE ARG 2 HE ARG 2 -6.664 -3.708 -2.732
13 HH11 ARG 2 1HH1 ARG 2 -4.197 -6.209 -2.310
14 HH12 ARG 2 2HH1 ARG 2 -5.269 -7.515 -2.533
15 HH21 ARG 2 1HH2 ARG 2 -8.155 -5.529 -3.029
16 HH22 ARG 2 2HH2 ARG 2 -7.554 -7.107 -2.963
17 H CYS 3 H CYS 3 -3.665 -2.647 1.655
18 HA CYS 3 HA CYS 3 -2.049 -0.191 1.541
19 HB2 CYS 3 2HB CYS 3 -2.096 -2.328 3.684
20 HB3 CYS 3 1HB CYS 3 -1.105 -0.886 3.705
21 H TYR 4 H TYR 4 -0.072 -0.275 0.616
22 HA TYR 4 HA TYR 4 1.111 -2.906 0.224
23 HB2 TYR 4 2HB TYR 4 1.552 -0.285 -1.202
24 HB3 TYR 4 1HB TYR 4 2.616 -1.672 -1.404
25 HD1 TYR 4 1HD TYR 4 1.793 -3.719 -2.454
26 HD2 TYR 4 2HD TYR 4 -0.623 -0.230 -2.236
27 HE1 TYR 4 1HE TYR 4 0.317 -4.650 -4.154
28 HE2 TYR 4 2HE TYR 4 -2.112 -1.156 -3.947
29 HH TYR 4 HH TYR 4 -1.975 -4.415 -4.903
30 H LYS 5 H LYS 5 2.952 -3.412 1.099
31 HA LYS 5 HA LYS 5 3.967 -1.712 3.206
32 HB2 LYS 5 2HB LYS 5 3.459 -4.152 3.477
33 HB3 LYS 5 1HB LYS 5 4.763 -4.506 2.361
34 HG2 LYS 5 2HG LYS 5 6.378 -3.610 3.929
35 HG3 LYS 5 1HG LYS 5 5.072 -3.136 5.019
36 HD2 LYS 5 2HD LYS 5 4.394 -5.504 5.194
37 HD3 LYS 5 1HD LYS 5 5.764 -5.943 4.175
38 HE2 LYS 5 2HE LYS 5 7.310 -5.100 5.821
39 HE3 LYS 5 1HE LYS 5 5.980 -4.526 6.826
40 HZ1 LYS 5 1HZ LYS 5 5.267 -6.846 7.088
41 HZ2 LYS 5 2HZ LYS 5 6.833 -6.593 7.660
42 HZ3 LYS 5 3HZ LYS 5 6.603 -7.358 6.177
43 H SER 6 H SER 6 4.619 -2.373 -0.020
44 HA SER 6 HA SER 6 7.415 -2.150 -0.117
45 HB2 SER 6 2HB SER 6 5.353 -1.534 -2.231
46 HB3 SER 6 1HB SER 6 7.057 -1.920 -2.503
47 HG SER 6 HG SER 6 5.704 -3.753 -2.773
48 H LYS 7 H LYS 7 8.553 -0.479 0.323
49 HA LYS 7 HA LYS 7 7.603 2.084 0.991
50 HB2 LYS 7 2HB LYS 7 9.583 1.073 1.975
51 HB3 LYS 7 1HB LYS 7 10.349 1.025 0.396
52 HG2 LYS 7 2HG LYS 7 10.363 3.487 0.366
53 HG3 LYS 7 1HG LYS 7 9.669 3.490 1.988
54 HD2 LYS 7 2HD LYS 7 12.102 3.804 2.074
55 HD3 LYS 7 1HD LYS 7 11.629 2.287 2.837
56 HE2 LYS 7 2HE LYS 7 12.263 1.064 0.801
57 HE3 LYS 7 1HE LYS 7 12.719 2.583 0.029
58 HZ1 LYS 7 1HZ LYS 7 14.428 2.851 1.705
59 HZ2 LYS 7 2HZ LYS 7 14.611 1.378 0.892
60 HZ3 LYS 7 3HZ LYS 7 13.965 1.404 2.443
61 HA PRO 8 HA PRO 8 7.628 4.248 0.916
62 HB2 PRO 8 2HB PRO 8 5.809 5.821 -0.761
63 HB3 PRO 8 1HB PRO 8 7.133 6.383 0.260
64 HG2 PRO 8 2HG PRO 8 7.269 6.480 -2.432
65 HG3 PRO 8 1HG PRO 8 8.694 6.178 -1.424
66 HD2 PRO 8 2HD PRO 8 7.004 4.225 -2.934
67 HD3 PRO 8 1HD PRO 8 8.774 4.326 -2.824
68 HA PRO 9 HA PRO 9 4.146 1.554 1.266
69 HB2 PRO 9 2HB PRO 9 3.317 2.282 3.765
70 HB3 PRO 9 1HB PRO 9 4.703 1.234 3.465
71 HG2 PRO 9 2HG PRO 9 4.643 4.147 4.102
72 HG3 PRO 9 1HG PRO 9 5.768 2.903 4.665
73 HD2 PRO 9 2HD PRO 9 6.365 4.668 2.686
74 HD3 PRO 9 1HD PRO 9 7.054 3.037 2.761
75 H ILE 10 H ILE 10 2.458 1.938 0.093
76 HA ILE 10 HA ILE 10 0.891 4.372 0.542
77 HB ILE 10 HB ILE 10 -0.004 4.012 -1.760
78 HG12 ILE 10 2HG1 ILE 10 2.217 1.953 -1.987
79 HG13 ILE 10 1HG1 ILE 10 0.498 1.589 -1.943
80 HG21 ILE 10 1HG2 ILE 10 1.734 5.616 -1.363
81 HG22 ILE 10 2HG2 ILE 10 2.015 4.806 -2.913
82 HG23 ILE 10 3HG2 ILE 10 2.958 4.350 -1.489
83 HD11 ILE 10 1HD1 ILE 10 0.200 2.790 -4.055
84 HD12 ILE 10 2HD1 ILE 10 1.374 1.483 -4.207
85 HD13 ILE 10 3HD1 ILE 10 1.925 3.153 -4.086
86 H CYS 11 H CYS 11 -1.166 4.162 1.198
87 HA CYS 11 HA CYS 11 -2.415 1.601 0.715
88 HB2 CYS 11 2HB CYS 11 -1.670 1.585 3.080
89 HB3 CYS 11 1HB CYS 11 -2.603 3.054 3.365
90 H PHE 12 H PHE 12 -4.346 1.676 0.019
91 HA PHE 12 HA PHE 12 -5.545 4.290 -0.435
92 HB2 PHE 12 2HB PHE 12 -6.216 1.586 -1.640
93 HB3 PHE 12 1HB PHE 12 -6.878 3.129 -2.143
94 HD1 PHE 12 1HD PHE 12 -3.977 0.910 -2.313
95 HD2 PHE 12 2HD PHE 12 -5.523 4.724 -3.418
96 HE1 PHE 12 1HE PHE 12 -2.156 1.177 -3.949
97 HE2 PHE 12 2HE PHE 12 -3.707 4.987 -5.050
98 HZ PHE 12 HZ PHE 12 -2.021 3.217 -5.315
99 HA PRO 13 HA PRO 13 -8.347 3.728 3.012
100 HB2 PRO 13 2HB PRO 13 -10.576 4.941 1.819
101 HB3 PRO 13 1HB PRO 13 -9.328 5.737 2.778
102 HG2 PRO 13 2HG PRO 13 -9.562 5.476 -0.188
103 HG3 PRO 13 1HG PRO 13 -9.004 6.855 0.774
104 HD2 PRO 13 2HD PRO 13 -7.244 5.329 -0.490
105 HD3 PRO 13 1HD PRO 13 -6.908 5.878 1.166
106 H ASP 14 H ASP 14 -9.061 2.232 0.013
107 HA ASP 14 HA ASP 14 -11.465 0.910 0.881
108 HB2 ASP 14 2HB ASP 14 -10.926 1.149 -1.530
109 HB3 ASP 14 1HB ASP 14 -9.530 0.095 -1.312
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -8.193 0.682 1.976
2 HA2 GLY 1 2HA GLY 1 -7.644 -0.339 4.155
3 HA3 GLY 1 1HA GLY 1 -8.925 -1.494 3.828
4 H ARG 2 H ARG 2 -6.268 -0.254 1.837
5 HA ARG 2 HA ARG 2 -5.176 -2.933 1.649
6 HB2 ARG 2 2HB ARG 2 -6.843 -2.871 -0.147
7 HB3 ARG 2 1HB ARG 2 -6.169 -1.369 -0.752
8 HG2 ARG 2 2HG ARG 2 -5.489 -3.219 -2.153
9 HG3 ARG 2 1HG ARG 2 -4.087 -2.555 -1.316
10 HD2 ARG 2 2HD ARG 2 -3.982 -4.963 -1.291
11 HD3 ARG 2 1HD ARG 2 -4.256 -4.369 0.341
12 HE ARG 2 HE ARG 2 -6.652 -5.096 -1.101
13 HH11 ARG 2 1HH1 ARG 2 -4.224 -6.137 1.256
14 HH12 ARG 2 2HH1 ARG 2 -5.048 -7.571 1.650
15 HH21 ARG 2 1HH2 ARG 2 -7.771 -7.051 -0.508
16 HH22 ARG 2 2HH2 ARG 2 -7.094 -8.091 0.670
17 H CYS 3 H CYS 3 -3.024 -2.713 1.841
18 HA CYS 3 HA CYS 3 -1.714 -0.336 0.699
19 HB2 CYS 3 2HB CYS 3 -1.081 -1.667 3.346
20 HB3 CYS 3 1HB CYS 3 -0.136 -0.392 2.599
21 H TYR 4 H TYR 4 0.181 -0.818 -0.409
22 HA TYR 4 HA TYR 4 0.900 -3.642 -0.462
23 HB2 TYR 4 2HB TYR 4 1.914 -1.335 -2.159
24 HB3 TYR 4 1HB TYR 4 2.517 -2.977 -2.275
25 HD1 TYR 4 1HD TYR 4 0.339 -0.696 -3.756
26 HD2 TYR 4 2HD TYR 4 0.533 -4.783 -2.585
27 HE1 TYR 4 1HE TYR 4 -1.402 -1.243 -5.384
28 HE2 TYR 4 2HE TYR 4 -1.206 -5.336 -4.210
29 HH TYR 4 HH TYR 4 -3.017 -4.211 -5.372
30 H LYS 5 H LYS 5 2.812 -4.417 0.293
31 HA LYS 5 HA LYS 5 3.973 -2.779 2.348
32 HB2 LYS 5 2HB LYS 5 4.547 -5.646 1.598
33 HB3 LYS 5 1HB LYS 5 5.247 -4.796 2.968
34 HG2 LYS 5 2HG LYS 5 2.998 -4.509 3.921
35 HG3 LYS 5 1HG LYS 5 2.323 -5.399 2.558
36 HD2 LYS 5 2HD LYS 5 2.567 -6.857 4.503
37 HD3 LYS 5 1HD LYS 5 3.644 -7.375 3.206
38 HE2 LYS 5 2HE LYS 5 5.520 -6.271 4.314
39 HE3 LYS 5 1HE LYS 5 4.447 -5.694 5.586
40 HZ1 LYS 5 1HZ LYS 5 5.025 -8.538 4.973
41 HZ2 LYS 5 2HZ LYS 5 4.054 -7.982 6.232
42 HZ3 LYS 5 3HZ LYS 5 5.693 -7.658 6.234
43 H SER 6 H SER 6 4.897 -1.261 1.071
44 HA SER 6 HA SER 6 7.644 -1.818 0.363
45 HB2 SER 6 2HB SER 6 5.651 -0.502 -1.505
46 HB3 SER 6 1HB SER 6 7.377 -0.675 -1.814
47 HG SER 6 HG SER 6 6.420 -3.028 -1.159
48 H LYS 7 H LYS 7 8.754 0.388 0.158
49 HA LYS 7 HA LYS 7 7.162 2.463 1.444
50 HB2 LYS 7 2HB LYS 7 10.038 1.767 2.045
51 HB3 LYS 7 1HB LYS 7 9.300 3.288 2.524
52 HG2 LYS 7 2HG LYS 7 7.617 2.015 3.822
53 HG3 LYS 7 1HG LYS 7 8.473 0.531 3.394
54 HD2 LYS 7 2HD LYS 7 10.468 1.336 4.511
55 HD3 LYS 7 1HD LYS 7 9.664 2.857 4.884
56 HE2 LYS 7 2HE LYS 7 9.678 1.362 6.819
57 HE3 LYS 7 1HE LYS 7 8.038 1.691 6.268
58 HZ1 LYS 7 1HZ LYS 7 7.958 -0.468 5.231
59 HZ2 LYS 7 2HZ LYS 7 8.441 -0.660 6.833
60 HZ3 LYS 7 3HZ LYS 7 9.577 -0.760 5.611
61 HA PRO 8 HA PRO 8 7.069 4.739 1.695
62 HB2 PRO 8 2HB PRO 8 5.561 6.057 -0.462
63 HB3 PRO 8 1HB PRO 8 6.360 6.779 0.939
64 HG2 PRO 8 2HG PRO 8 7.339 7.090 -1.538
65 HG3 PRO 8 1HG PRO 8 8.407 6.902 -0.136
66 HD2 PRO 8 2HD PRO 8 7.588 4.864 -2.164
67 HD3 PRO 8 1HD PRO 8 9.200 5.201 -1.494
68 HA PRO 9 HA PRO 9 3.855 1.726 1.281
69 HB2 PRO 9 2HB PRO 9 2.206 2.605 3.274
70 HB3 PRO 9 1HB PRO 9 3.683 1.676 3.556
71 HG2 PRO 9 2HG PRO 9 3.233 4.620 3.752
72 HG3 PRO 9 1HG PRO 9 4.175 3.564 4.816
73 HD2 PRO 9 2HD PRO 9 5.317 5.142 2.954
74 HD3 PRO 9 1HD PRO 9 5.994 3.566 3.412
75 H ILE 10 H ILE 10 2.620 1.816 -0.392
76 HA ILE 10 HA ILE 10 0.906 4.085 -0.888
77 HB ILE 10 HB ILE 10 2.050 3.308 -2.830
78 HG12 ILE 10 2HG1 ILE 10 0.214 2.608 -4.391
79 HG13 ILE 10 1HG1 ILE 10 -0.824 2.377 -2.992
80 HG21 ILE 10 1HG2 ILE 10 2.721 1.138 -2.200
81 HG22 ILE 10 2HG2 ILE 10 1.875 1.036 -3.748
82 HG23 ILE 10 3HG2 ILE 10 1.057 0.564 -2.253
83 HD11 ILE 10 1HD1 ILE 10 -1.254 4.498 -4.099
84 HD12 ILE 10 2HD1 ILE 10 0.423 4.984 -3.843
85 HD13 ILE 10 3HD1 ILE 10 -0.650 4.743 -2.461
86 H CYS 11 H CYS 11 -0.878 4.138 0.204
87 HA CYS 11 HA CYS 11 -2.352 1.656 0.622
88 HB2 CYS 11 2HB CYS 11 -2.210 4.137 2.323
89 HB3 CYS 11 1HB CYS 11 -3.374 2.842 2.572
90 H PHE 12 H PHE 12 -4.407 1.559 0.172
91 HA PHE 12 HA PHE 12 -5.668 3.822 -1.183
92 HB2 PHE 12 2HB PHE 12 -6.378 0.871 -1.292
93 HB3 PHE 12 1HB PHE 12 -7.089 2.160 -2.256
94 HD1 PHE 12 1HD PHE 12 -4.465 -0.251 -2.015
95 HD2 PHE 12 2HD PHE 12 -5.615 3.377 -3.914
96 HE1 PHE 12 1HE PHE 12 -2.772 -0.628 -3.746
97 HE2 PHE 12 2HE PHE 12 -3.923 3.008 -5.648
98 HZ PHE 12 HZ PHE 12 -2.493 1.005 -5.571
99 HA PRO 13 HA PRO 13 -8.002 4.286 2.544
100 HB2 PRO 13 2HB PRO 13 -10.204 5.565 1.556
101 HB3 PRO 13 1HB PRO 13 -8.637 6.344 1.809
102 HG2 PRO 13 2HG PRO 13 -9.801 5.212 -0.709
103 HG3 PRO 13 1HG PRO 13 -8.954 6.750 -0.463
104 HD2 PRO 13 2HD PRO 13 -7.707 4.639 -1.525
105 HD3 PRO 13 1HD PRO 13 -6.865 5.737 -0.409
106 H ASP 14 H ASP 14 -8.880 2.032 0.358
107 HA ASP 14 HA ASP 14 -11.494 1.387 1.487
108 HB2 ASP 14 2HB ASP 14 -11.090 0.941 -0.903
109 HB3 ASP 14 1HB ASP 14 -9.777 -0.152 -0.480
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -8.001 0.599 2.216
2 HA2 GLY 1 2HA GLY 1 -7.621 -1.079 4.035
3 HA3 GLY 1 1HA GLY 1 -8.486 -2.204 3.003
4 H ARG 2 H ARG 2 -7.317 -1.613 0.572
5 HA ARG 2 HA ARG 2 -5.009 -3.198 0.697
6 HB2 ARG 2 2HB ARG 2 -6.283 -3.222 -1.314
7 HB3 ARG 2 1HB ARG 2 -6.114 -1.489 -1.529
8 HG2 ARG 2 2HG ARG 2 -4.727 -2.724 -3.126
9 HG3 ARG 2 1HG ARG 2 -3.740 -1.770 -2.031
10 HD2 ARG 2 2HD ARG 2 -2.740 -3.947 -2.379
11 HD3 ARG 2 1HD ARG 2 -3.270 -3.787 -0.709
12 HE ARG 2 HE ARG 2 -5.242 -5.043 -2.333
13 HH11 ARG 2 1HH1 ARG 2 -2.196 -5.653 -0.619
14 HH12 ARG 2 2HH1 ARG 2 -2.436 -7.325 -0.467
15 HH21 ARG 2 1HH2 ARG 2 -5.577 -7.383 -2.135
16 HH22 ARG 2 2HH2 ARG 2 -4.422 -8.338 -1.342
17 H CYS 3 H CYS 3 -3.039 -2.783 1.279
18 HA CYS 3 HA CYS 3 -1.885 -0.164 0.757
19 HB2 CYS 3 2HB CYS 3 -1.784 -1.751 3.311
20 HB3 CYS 3 1HB CYS 3 -0.539 -0.581 2.902
21 H TYR 4 H TYR 4 -0.040 -0.271 -0.240
22 HA TYR 4 HA TYR 4 1.226 -2.833 -0.668
23 HB2 TYR 4 2HB TYR 4 1.933 -0.039 -1.626
24 HB3 TYR 4 1HB TYR 4 2.806 -1.493 -2.083
25 HD1 TYR 4 1HD TYR 4 -0.482 0.226 -2.383
26 HD2 TYR 4 2HD TYR 4 2.034 -2.880 -3.825
27 HE1 TYR 4 1HE TYR 4 -1.993 -0.113 -4.261
28 HE2 TYR 4 2HE TYR 4 0.523 -3.231 -5.716
29 HH TYR 4 HH TYR 4 -1.852 -1.050 -6.589
30 H LYS 5 H LYS 5 2.605 -3.533 0.734
31 HA LYS 5 HA LYS 5 3.398 -1.833 2.938
32 HB2 LYS 5 2HB LYS 5 3.720 -4.794 2.503
33 HB3 LYS 5 1HB LYS 5 4.137 -3.933 3.980
34 HG2 LYS 5 2HG LYS 5 1.784 -3.255 4.229
35 HG3 LYS 5 1HG LYS 5 1.385 -4.167 2.774
36 HD2 LYS 5 2HD LYS 5 0.836 -5.484 4.732
37 HD3 LYS 5 1HD LYS 5 2.186 -6.221 3.877
38 HE2 LYS 5 2HE LYS 5 2.532 -6.233 6.303
39 HE3 LYS 5 1HE LYS 5 3.761 -5.282 5.483
40 HZ1 LYS 5 1HZ LYS 5 2.971 -4.187 7.464
41 HZ2 LYS 5 2HZ LYS 5 1.386 -4.203 6.930
42 HZ3 LYS 5 3HZ LYS 5 2.538 -3.264 6.129
43 H SER 6 H SER 6 4.649 -1.502 0.383
44 HA SER 6 HA SER 6 7.436 -2.225 0.851
45 HB2 SER 6 2HB SER 6 6.114 -0.728 -1.426
46 HB3 SER 6 1HB SER 6 7.743 -1.398 -1.423
47 HG SER 6 HG SER 6 6.166 -2.669 -2.509
48 H LYS 7 H LYS 7 8.815 -0.069 0.083
49 HA LYS 7 HA LYS 7 7.555 2.198 1.399
50 HB2 LYS 7 2HB LYS 7 9.789 3.046 2.023
51 HB3 LYS 7 1HB LYS 7 9.510 1.458 2.709
52 HG2 LYS 7 2HG LYS 7 10.919 0.444 1.055
53 HG3 LYS 7 1HG LYS 7 11.115 1.982 0.220
54 HD2 LYS 7 2HD LYS 7 12.150 2.890 2.307
55 HD3 LYS 7 1HD LYS 7 12.089 1.262 2.986
56 HE2 LYS 7 2HE LYS 7 14.294 1.722 2.057
57 HE3 LYS 7 1HE LYS 7 13.492 0.453 1.140
58 HZ1 LYS 7 1HZ LYS 7 14.572 2.064 -0.306
59 HZ2 LYS 7 2HZ LYS 7 13.656 3.314 0.322
60 HZ3 LYS 7 3HZ LYS 7 12.911 2.096 -0.553
61 HA PRO 8 HA PRO 8 7.283 4.215 1.360
62 HB2 PRO 8 2HB PRO 8 5.601 5.901 0.120
63 HB3 PRO 8 1HB PRO 8 7.313 6.293 0.318
64 HG2 PRO 8 2HG PRO 8 5.882 5.231 -2.081
65 HG3 PRO 8 1HG PRO 8 7.118 6.494 -1.989
66 HD2 PRO 8 2HD PRO 8 7.639 3.913 -2.709
67 HD3 PRO 8 1HD PRO 8 8.836 4.980 -1.955
68 HA PRO 9 HA PRO 9 3.743 1.492 1.182
69 HB2 PRO 9 2HB PRO 9 2.247 2.734 3.163
70 HB3 PRO 9 1HB PRO 9 3.449 1.478 3.445
71 HG2 PRO 9 2HG PRO 9 3.657 4.413 3.810
72 HG3 PRO 9 1HG PRO 9 4.476 3.112 4.679
73 HD2 PRO 9 2HD PRO 9 5.684 4.673 2.790
74 HD3 PRO 9 1HD PRO 9 6.189 3.014 3.164
75 H ILE 10 H ILE 10 2.188 1.566 -0.217
76 HA ILE 10 HA ILE 10 0.898 4.131 -0.846
77 HB ILE 10 HB ILE 10 1.089 1.605 -2.534
78 HG12 ILE 10 2HG1 ILE 10 2.474 4.274 -2.899
79 HG13 ILE 10 1HG1 ILE 10 3.240 2.827 -2.261
80 HG21 ILE 10 1HG2 ILE 10 0.146 2.966 -4.348
81 HG22 ILE 10 2HG2 ILE 10 -0.036 4.317 -3.231
82 HG23 ILE 10 3HG2 ILE 10 -0.969 2.842 -2.984
83 HD11 ILE 10 1HD1 ILE 10 2.093 3.159 -5.021
84 HD12 ILE 10 2HD1 ILE 10 2.864 1.699 -4.398
85 HD13 ILE 10 3HD1 ILE 10 3.805 3.180 -4.596
86 H CYS 11 H CYS 11 -0.982 4.306 0.212
87 HA CYS 11 HA CYS 11 -2.507 1.852 0.590
88 HB2 CYS 11 2HB CYS 11 -2.214 4.214 2.404
89 HB3 CYS 11 1HB CYS 11 -3.528 3.056 2.558
90 H PHE 12 H PHE 12 -4.473 1.712 0.050
91 HA PHE 12 HA PHE 12 -5.865 4.066 -0.965
92 HB2 PHE 12 2HB PHE 12 -6.524 1.115 -1.324
93 HB3 PHE 12 1HB PHE 12 -7.332 2.461 -2.111
94 HD1 PHE 12 1HD PHE 12 -4.854 4.040 -2.910
95 HD2 PHE 12 2HD PHE 12 -5.795 -0.104 -3.185
96 HE1 PHE 12 1HE PHE 12 -3.333 3.822 -4.827
97 HE2 PHE 12 2HE PHE 12 -4.276 -0.325 -5.092
98 HZ PHE 12 HZ PHE 12 -3.040 1.636 -5.921
99 HA PRO 13 HA PRO 13 -7.819 4.030 2.984
100 HB2 PRO 13 2HB PRO 13 -10.113 5.387 2.413
101 HB3 PRO 13 1HB PRO 13 -8.529 6.154 2.556
102 HG2 PRO 13 2HG PRO 13 -9.982 5.277 0.090
103 HG3 PRO 13 1HG PRO 13 -9.131 6.803 0.397
104 HD2 PRO 13 2HD PRO 13 -8.000 4.839 -1.025
105 HD3 PRO 13 1HD PRO 13 -7.041 5.839 0.087
106 H ASP 14 H ASP 14 -8.844 2.048 0.657
107 HA ASP 14 HA ASP 14 -11.216 1.143 2.108
108 HB2 ASP 14 2HB ASP 14 -10.282 0.593 -0.696
109 HB3 ASP 14 1HB ASP 14 -11.490 -0.421 0.084
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