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 |
|
|
647522 |
6u7u   |
30669 | 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 -8.317 0.925 2.351
2 HA2 GLY 1 2HA GLY 1 -7.642 0.714 4.775
3 HA3 GLY 1 1HA GLY 1 -8.485 -0.826 4.718
4 H ARG 2 H ARG 2 -7.433 -1.111 1.855
5 HA ARG 2 HA ARG 2 -5.248 -2.734 2.544
6 HB2 ARG 2 2HB ARG 2 -6.603 -3.263 0.615
7 HB3 ARG 2 1HB ARG 2 -6.173 -1.747 -0.154
8 HG2 ARG 2 2HG ARG 2 -4.999 -3.657 -1.144
9 HG3 ARG 2 1HG ARG 2 -3.880 -2.504 -0.422
10 HD2 ARG 2 2HD ARG 2 -3.679 -3.921 1.549
11 HD3 ARG 2 1HD ARG 2 -4.825 -5.071 0.850
12 HE ARG 2 HE ARG 2 -3.092 -5.144 -1.025
13 HH11 ARG 2 1HH1 ARG 2 -2.289 -4.846 2.422
14 HH12 ARG 2 2HH1 ARG 2 -0.787 -5.626 2.250
15 HH21 ARG 2 1HH2 ARG 2 -1.082 -6.230 -1.215
16 HH22 ARG 2 2HH2 ARG 2 -0.080 -6.445 0.154
17 H ALA 3 H AZH 3 -3.305 -2.183 3.042
18 HA ALA 3 HA AZH 3 -1.983 0.077 1.729
19 HB1 ALA 3 1HB AZH 3 -0.754 0.059 4.099
20 HB2 ALA 3 2HB AZH 3 -2.314 -0.562 4.621
21 H THR 4 H THR 4 -0.009 -0.431 0.924
22 HA THR 4 HA THR 4 0.742 -3.186 1.088
23 HB THR 4 HB THR 4 2.524 -2.535 -0.534
24 HG1 THR 4 1HG THR 4 3.000 -0.529 -0.734
25 HG21 THR 4 1HG2 THR 4 0.990 -2.021 -2.394
26 HG22 THR 4 2HG2 THR 4 -0.262 -1.588 -1.232
27 HG23 THR 4 3HG2 THR 4 0.314 -3.252 -1.327
28 H LYS 5 H LYS 5 2.565 -4.014 1.976
29 HA LYS 5 HA LYS 5 3.737 -2.419 4.095
30 HB2 LYS 5 2HB LYS 5 4.368 -5.278 3.332
31 HB3 LYS 5 1HB LYS 5 4.778 -4.477 4.839
32 HG2 LYS 5 2HG LYS 5 2.004 -5.164 3.884
33 HG3 LYS 5 1HG LYS 5 2.908 -5.983 5.154
34 HD2 LYS 5 2HD LYS 5 2.837 -3.989 6.519
35 HD3 LYS 5 1HD LYS 5 2.052 -3.090 5.216
36 HE2 LYS 5 2HE LYS 5 0.139 -4.600 5.333
37 HE3 LYS 5 1HE LYS 5 0.926 -5.499 6.627
38 HZ1 LYS 5 1HZ LYS 5 -0.687 -3.945 7.481
39 HZ2 LYS 5 2HZ LYS 5 0.123 -2.641 6.772
40 HZ3 LYS 5 3HZ LYS 5 0.855 -3.533 7.994
41 H SER 6 H SER 6 4.562 -3.678 0.982
42 HA SER 6 HA SER 6 7.305 -2.833 1.302
43 HB2 SER 6 2HB SER 6 7.496 -3.866 -1.017
44 HB3 SER 6 1HB SER 6 7.156 -4.970 0.312
45 HG SER 6 HG SER 6 5.361 -3.934 -1.628
46 H ILE 7 H ILE 7 8.273 -1.579 -0.441
47 HA ILE 7 HA ILE 7 6.725 0.732 -1.054
48 HB ILE 7 HB ILE 7 8.778 1.554 -2.176
49 HG12 ILE 7 2HG1 ILE 7 9.962 -1.139 -1.428
50 HG13 ILE 7 1HG1 ILE 7 9.542 -0.642 -3.059
51 HG21 ILE 7 1HG2 ILE 7 9.243 0.325 0.540
52 HG22 ILE 7 2HG2 ILE 7 8.521 1.901 0.216
53 HG23 ILE 7 3HG2 ILE 7 10.217 1.609 -0.176
54 HD11 ILE 7 1HD1 ILE 7 11.629 0.619 -1.298
55 HD12 ILE 7 2HD1 ILE 7 11.224 1.130 -2.935
56 HD13 ILE 7 3HD1 ILE 7 11.931 -0.462 -2.658
57 HA PRO 8 HA PRO 8 6.709 2.422 -2.585
58 HB2 PRO 8 2HB PRO 8 4.552 3.342 -3.975
59 HB3 PRO 8 1HB PRO 8 6.178 3.308 -4.661
60 HG2 PRO 8 2HG PRO 8 3.913 1.396 -5.055
61 HG3 PRO 8 1HG PRO 8 5.057 2.037 -6.247
62 HD2 PRO 8 2HD PRO 8 5.300 -0.441 -5.163
63 HD3 PRO 8 1HD PRO 8 6.692 0.530 -5.675
64 HA PRO 9 HA PRO 9 3.513 1.323 0.394
65 HB2 PRO 9 2HB PRO 9 3.752 4.073 1.418
66 HB3 PRO 9 1HB PRO 9 4.110 2.552 2.240
67 HG2 PRO 9 2HG PRO 9 6.071 4.235 1.485
68 HG3 PRO 9 1HG PRO 9 6.277 2.475 1.450
69 HD2 PRO 9 2HD PRO 9 5.677 4.352 -0.802
70 HD3 PRO 9 1HD PRO 9 6.817 2.988 -0.733
71 H ARG 10 H ARG 10 1.686 1.200 -0.743
72 HA ARG 10 HA ARG 10 0.346 3.685 -1.521
73 HB2 ARG 10 2HB ARG 10 1.103 2.335 -3.422
74 HB3 ARG 10 1HB ARG 10 0.246 0.947 -2.781
75 HG2 ARG 10 2HG ARG 10 -1.876 2.043 -3.152
76 HG3 ARG 10 1HG ARG 10 -1.048 3.508 -3.692
77 HD2 ARG 10 2HD ARG 10 -0.854 0.800 -5.005
78 HD3 ARG 10 1HD ARG 10 -1.833 2.147 -5.583
79 HE ARG 10 HE ARG 10 0.601 3.239 -5.424
80 HH11 ARG 10 1HH1 ARG 10 -0.453 0.213 -6.922
81 HH12 ARG 10 2HH1 ARG 10 0.651 0.289 -8.206
82 HH21 ARG 10 1HH2 ARG 10 2.150 3.335 -7.184
83 HH22 ARG 10 2HH2 ARG 10 2.188 2.118 -8.356
84 H ALA 11 H PRG 11 -1.645 3.998 -0.749
85 HA ALA 11 HA PRG 11 -2.865 1.748 0.625
86 HB1 ALA 11 1HB PRG 11 -3.664 3.187 2.397
87 HB2 ALA 11 2HB PRG 11 -2.944 4.601 1.688
88 H PHE 12 H PHE 12 -4.920 1.536 0.464
89 HA PHE 12 HA PHE 12 -6.311 3.273 -1.449
90 HB2 PHE 12 2HB PHE 12 -6.820 0.368 -0.735
91 HB3 PHE 12 1HB PHE 12 -7.702 1.292 -1.938
92 HD1 PHE 12 1HD PHE 12 -6.708 1.782 -4.092
93 HD2 PHE 12 2HD PHE 12 -4.573 -0.434 -1.166
94 HE1 PHE 12 1HE PHE 12 -5.102 1.061 -5.812
95 HE2 PHE 12 2HE PHE 12 -2.968 -1.161 -2.873
96 HZ PHE 12 HZ PHE 12 -3.228 -0.420 -5.201
97 HA PRO 13 HA PRO 13 -8.849 4.691 1.906
98 HB2 PRO 13 2HB PRO 13 -11.185 4.448 0.082
99 HB3 PRO 13 1HB PRO 13 -10.594 5.853 0.972
100 HG2 PRO 13 2HG PRO 13 -10.200 5.676 -1.643
101 HG3 PRO 13 1HG PRO 13 -8.925 6.301 -0.583
102 HD2 PRO 13 2HD PRO 13 -9.175 3.600 -1.853
103 HD3 PRO 13 1HD PRO 13 -7.745 4.634 -1.656
104 H ASP 14 H ASP 14 -9.667 1.723 0.389
105 HA ASP 14 HA ASP 14 -11.746 0.943 2.196
106 HB2 ASP 14 2HB ASP 14 -11.337 -1.362 1.265
107 HB3 ASP 14 1HB ASP 14 -11.750 -0.130 0.077
108 H1 WMH 101 1HG AZH 3 -2.779 1.741 4.845
109 H2 WMH 101 2HG AZH 3 -3.150 1.458 3.179
110 H5 WMH 101 HD PRG 11 -0.208 4.782 1.759
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -8.899 1.159 3.029
2 HA2 GLY 1 2HA GLY 1 -7.884 0.173 4.861
3 HA3 GLY 1 1HA GLY 1 -9.067 -1.131 4.764
4 H ARG 2 H ARG 2 -6.359 0.181 2.917
5 HA ARG 2 HA ARG 2 -5.156 -2.404 2.726
6 HB2 ARG 2 2HB ARG 2 -6.763 -2.651 0.983
7 HB3 ARG 2 1HB ARG 2 -6.412 -1.059 0.346
8 HG2 ARG 2 2HG ARG 2 -4.302 -1.806 -0.501
9 HG3 ARG 2 1HG ARG 2 -4.474 -3.361 0.320
10 HD2 ARG 2 2HD ARG 2 -5.035 -3.339 -2.154
11 HD3 ARG 2 1HD ARG 2 -6.254 -4.026 -1.083
12 HE ARG 2 HE ARG 2 -7.264 -1.670 -1.230
13 HH11 ARG 2 1HH1 ARG 2 -5.679 -3.325 -3.928
14 HH12 ARG 2 2HH1 ARG 2 -6.599 -2.531 -5.118
15 HH21 ARG 2 1HH2 ARG 2 -8.458 -0.589 -2.779
16 HH22 ARG 2 2HH2 ARG 2 -8.261 -0.886 -4.450
17 H ALA 3 H AZH 3 -3.188 -1.907 3.225
18 HA ALA 3 HA AZH 3 -1.799 0.209 1.804
19 HB1 ALA 3 1HB AZH 3 -0.484 0.233 4.147
20 HB2 ALA 3 2HB AZH 3 -2.082 -0.205 4.736
21 H THR 4 H THR 4 0.138 -0.410 1.024
22 HA THR 4 HA THR 4 0.753 -3.196 1.281
23 HB THR 4 HB THR 4 2.541 -2.704 -0.371
24 HG1 THR 4 1HG THR 4 3.163 -0.710 -0.228
25 HG21 THR 4 1HG2 THR 4 0.302 -3.337 -1.130
26 HG22 THR 4 2HG2 THR 4 1.019 -2.170 -2.239
27 HG23 THR 4 3HG2 THR 4 -0.204 -1.649 -1.078
28 H LYS 5 H LYS 5 2.553 -4.063 2.137
29 HA LYS 5 HA LYS 5 3.898 -2.551 4.178
30 HB2 LYS 5 2HB LYS 5 3.197 -4.936 4.481
31 HB3 LYS 5 1HB LYS 5 4.322 -5.390 3.214
32 HG2 LYS 5 2HG LYS 5 6.191 -4.645 4.584
33 HG3 LYS 5 1HG LYS 5 5.075 -4.133 5.849
34 HD2 LYS 5 2HD LYS 5 5.981 -6.284 6.461
35 HD3 LYS 5 1HD LYS 5 4.287 -6.497 6.030
36 HE2 LYS 5 2HE LYS 5 5.553 -8.298 5.063
37 HE3 LYS 5 1HE LYS 5 5.026 -7.243 3.760
38 HZ1 LYS 5 1HZ LYS 5 7.753 -7.334 4.958
39 HZ2 LYS 5 2HZ LYS 5 7.278 -6.223 3.803
40 HZ3 LYS 5 3HZ LYS 5 7.302 -7.847 3.425
41 H SER 6 H SER 6 4.525 -3.942 1.004
42 HA SER 6 HA SER 6 7.293 -3.190 1.016
43 HB2 SER 6 2HB SER 6 7.158 -4.098 -1.328
44 HB3 SER 6 1HB SER 6 6.671 -5.240 -0.069
45 HG SER 6 HG SER 6 4.956 -5.414 -1.202
46 H ILE 7 H ILE 7 8.164 -1.779 -0.638
47 HA ILE 7 HA ILE 7 6.510 0.561 -0.957
48 HB ILE 7 HB ILE 7 8.543 1.683 -1.796
49 HG12 ILE 7 2HG1 ILE 7 9.981 -0.923 -1.260
50 HG13 ILE 7 1HG1 ILE 7 9.556 -0.347 -2.872
51 HG21 ILE 7 1HG2 ILE 7 8.964 0.159 0.764
52 HG22 ILE 7 2HG2 ILE 7 8.102 1.686 0.580
53 HG23 ILE 7 3HG2 ILE 7 9.839 1.611 0.278
54 HD11 ILE 7 1HD1 ILE 7 11.400 1.019 -0.919
55 HD12 ILE 7 2HD1 ILE 7 10.989 1.602 -2.533
56 HD13 ILE 7 3HD1 ILE 7 11.880 0.092 -2.341
57 HA PRO 8 HA PRO 8 6.840 2.495 -2.396
58 HB2 PRO 8 2HB PRO 8 4.567 3.090 -4.162
59 HB3 PRO 8 1HB PRO 8 6.135 3.900 -4.069
60 HG2 PRO 8 2HG PRO 8 5.447 2.386 -6.182
61 HG3 PRO 8 1HG PRO 8 7.115 2.460 -5.587
62 HD2 PRO 8 2HD PRO 8 5.031 0.358 -5.103
63 HD3 PRO 8 1HD PRO 8 6.746 0.157 -5.518
64 HA PRO 9 HA PRO 9 3.450 1.655 0.412
65 HB2 PRO 9 2HB PRO 9 3.373 4.593 0.736
66 HB3 PRO 9 1HB PRO 9 3.532 3.337 1.971
67 HG2 PRO 9 2HG PRO 9 5.672 4.776 1.309
68 HG3 PRO 9 1HG PRO 9 5.816 3.029 1.559
69 HD2 PRO 9 2HD PRO 9 5.674 4.560 -1.011
70 HD3 PRO 9 1HD PRO 9 6.715 3.195 -0.542
71 H ARG 10 H ARG 10 1.802 1.071 -0.848
72 HA ARG 10 HA ARG 10 0.263 3.079 -2.289
73 HB2 ARG 10 2HB ARG 10 0.442 0.064 -2.423
74 HB3 ARG 10 1HB ARG 10 -0.767 0.989 -3.300
75 HG2 ARG 10 2HG ARG 10 0.744 1.782 -4.819
76 HG3 ARG 10 1HG ARG 10 2.081 1.743 -3.669
77 HD2 ARG 10 2HD ARG 10 0.819 -0.769 -4.741
78 HD3 ARG 10 1HD ARG 10 2.133 0.048 -5.589
79 HE ARG 10 HE ARG 10 3.036 -0.187 -3.056
80 HH11 ARG 10 1HH1 ARG 10 1.842 -2.589 -5.373
81 HH12 ARG 10 2HH1 ARG 10 2.848 -3.835 -4.820
82 HH21 ARG 10 1HH2 ARG 10 4.441 -1.906 -2.305
83 HH22 ARG 10 2HH2 ARG 10 4.387 -3.437 -3.024
84 H ALA 11 H PRG 11 -1.359 3.885 -1.008
85 HA ALA 11 HA PRG 11 -2.730 1.927 0.652
86 HB1 ALA 11 1HB PRG 11 -3.180 3.582 2.366
87 HB2 ALA 11 2HB PRG 11 -2.344 4.833 1.494
88 H PHE 12 H PHE 12 -4.800 1.883 0.638
89 HA PHE 12 HA PHE 12 -6.203 3.768 -1.124
90 HB2 PHE 12 2HB PHE 12 -6.536 0.750 -1.041
91 HB3 PHE 12 1HB PHE 12 -7.522 1.844 -2.000
92 HD1 PHE 12 1HD PHE 12 -4.305 0.162 -1.718
93 HD2 PHE 12 2HD PHE 12 -6.576 2.983 -3.948
94 HE1 PHE 12 1HE PHE 12 -2.670 0.024 -3.543
95 HE2 PHE 12 2HE PHE 12 -4.942 2.859 -5.778
96 HZ PHE 12 HZ PHE 12 -2.980 1.382 -5.577
97 HA PRO 13 HA PRO 13 -8.930 4.349 2.282
98 HB2 PRO 13 2HB PRO 13 -11.196 5.117 1.048
99 HB3 PRO 13 1HB PRO 13 -9.737 6.114 1.091
100 HG2 PRO 13 2HG PRO 13 -10.711 4.292 -1.080
101 HG3 PRO 13 1HG PRO 13 -10.129 5.963 -1.220
102 HD2 PRO 13 2HD PRO 13 -8.556 3.868 -1.786
103 HD3 PRO 13 1HD PRO 13 -7.918 5.336 -1.013
104 H ASP 14 H ASP 14 -9.132 1.631 0.683
105 HA ASP 14 HA ASP 14 -11.699 0.790 1.824
106 HB2 ASP 14 2HB ASP 14 -11.477 -1.225 0.384
107 HB3 ASP 14 1HB ASP 14 -11.536 0.273 -0.534
108 H1 WMH 101 1HG AZH 3 -2.301 2.150 4.808
109 H2 WMH 101 2HG AZH 3 -2.788 1.780 3.187
110 H5 WMH 101 HD PRG 11 0.388 4.690 1.401
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -8.718 1.249 2.647
2 HA2 GLY 1 2HA GLY 1 -7.852 1.012 4.848
3 HA3 GLY 1 1HA GLY 1 -8.920 -0.359 5.082
4 H ARG 2 H ARG 2 -6.791 0.125 2.305
5 HA ARG 2 HA ARG 2 -5.290 -2.240 3.262
6 HB2 ARG 2 2HB ARG 2 -5.633 -1.470 0.359
7 HB3 ARG 2 1HB ARG 2 -4.981 -2.961 1.000
8 HG2 ARG 2 2HG ARG 2 -7.844 -2.068 1.194
9 HG3 ARG 2 1HG ARG 2 -7.198 -3.244 0.055
10 HD2 ARG 2 2HD ARG 2 -6.671 -4.759 1.823
11 HD3 ARG 2 1HD ARG 2 -7.069 -3.547 3.047
12 HE ARG 2 HE ARG 2 -9.329 -3.686 1.689
13 HH11 ARG 2 1HH1 ARG 2 -7.310 -6.327 2.972
14 HH12 ARG 2 2HH1 ARG 2 -8.631 -7.364 3.258
15 HH21 ARG 2 1HH2 ARG 2 -11.118 -5.108 2.173
16 HH22 ARG 2 2HH2 ARG 2 -10.836 -6.650 2.825
17 H ALA 3 H AZH 3 -3.077 -2.059 3.232
18 HA ALA 3 HA AZH 3 -1.860 0.177 1.866
19 HB1 ALA 3 1HB AZH 3 -0.452 0.327 4.130
20 HB2 ALA 3 2HB AZH 3 -1.979 -0.213 4.820
21 H THR 4 H THR 4 0.093 -0.317 1.030
22 HA THR 4 HA THR 4 0.755 -3.094 1.144
23 HB THR 4 HB THR 4 2.379 -2.568 -0.636
24 HG1 THR 4 1HG THR 4 3.072 -0.601 -0.471
25 HG21 THR 4 1HG2 THR 4 0.739 -1.918 -2.352
26 HG22 THR 4 2HG2 THR 4 -0.372 -1.396 -1.085
27 HG23 THR 4 3HG2 THR 4 0.064 -3.099 -1.228
28 H LYS 5 H LYS 5 2.381 -4.003 2.149
29 HA LYS 5 HA LYS 5 4.143 -2.407 3.754
30 HB2 LYS 5 2HB LYS 5 5.128 -4.609 4.440
31 HB3 LYS 5 1HB LYS 5 3.415 -4.456 4.782
32 HG2 LYS 5 2HG LYS 5 2.939 -5.805 2.759
33 HG3 LYS 5 1HG LYS 5 4.672 -5.992 2.513
34 HD2 LYS 5 2HD LYS 5 3.232 -6.853 5.023
35 HD3 LYS 5 1HD LYS 5 3.540 -7.929 3.669
36 HE2 LYS 5 2HE LYS 5 5.679 -6.474 5.228
37 HE3 LYS 5 1HE LYS 5 5.200 -8.142 5.503
38 HZ1 LYS 5 1HZ LYS 5 5.901 -8.684 3.253
39 HZ2 LYS 5 2HZ LYS 5 7.167 -7.973 4.101
40 HZ3 LYS 5 3HZ LYS 5 6.310 -7.081 2.969
41 H SER 6 H SER 6 4.139 -3.894 0.667
42 HA SER 6 HA SER 6 6.975 -3.658 0.353
43 HB2 SER 6 2HB SER 6 6.448 -4.266 -2.045
44 HB3 SER 6 1HB SER 6 5.901 -5.451 -0.861
45 HG SER 6 HG SER 6 3.879 -4.965 -1.261
46 H ILE 7 H ILE 7 8.014 -2.004 -0.621
47 HA ILE 7 HA ILE 7 6.520 0.454 -0.809
48 HB ILE 7 HB ILE 7 8.714 1.555 -1.179
49 HG12 ILE 7 2HG1 ILE 7 9.898 -1.203 -0.768
50 HG13 ILE 7 1HG1 ILE 7 9.843 -0.358 -2.313
51 HG21 ILE 7 1HG2 ILE 7 9.607 1.165 1.067
52 HG22 ILE 7 2HG2 ILE 7 8.586 -0.266 1.210
53 HG23 ILE 7 3HG2 ILE 7 7.850 1.329 1.063
54 HD11 ILE 7 1HD1 ILE 7 11.282 1.386 -1.403
55 HD12 ILE 7 2HD1 ILE 7 12.035 -0.203 -1.260
56 HD13 ILE 7 3HD1 ILE 7 11.306 0.559 0.153
57 HA PRO 8 HA PRO 8 7.107 2.624 -1.851
58 HB2 PRO 8 2HB PRO 8 5.296 4.000 -3.330
59 HB3 PRO 8 1HB PRO 8 7.009 3.946 -3.751
60 HG2 PRO 8 2HG PRO 8 4.737 2.343 -4.859
61 HG3 PRO 8 1HG PRO 8 6.064 3.144 -5.720
62 HD2 PRO 8 2HD PRO 8 6.080 0.495 -5.213
63 HD3 PRO 8 1HD PRO 8 7.570 1.462 -5.221
64 HA PRO 9 HA PRO 9 3.494 1.611 0.515
65 HB2 PRO 9 2HB PRO 9 3.015 4.029 1.713
66 HB3 PRO 9 1HB PRO 9 4.277 2.907 2.239
67 HG2 PRO 9 2HG PRO 9 4.503 5.344 0.520
68 HG3 PRO 9 1HG PRO 9 5.583 4.779 1.807
69 HD2 PRO 9 2HD PRO 9 6.148 4.423 -0.809
70 HD3 PRO 9 1HD PRO 9 6.622 3.242 0.430
71 H ARG 10 H ARG 10 1.829 1.232 -0.780
72 HA ARG 10 HA ARG 10 0.358 3.467 -1.968
73 HB2 ARG 10 2HB ARG 10 0.588 0.540 -2.669
74 HB3 ARG 10 1HB ARG 10 -0.604 1.609 -3.391
75 HG2 ARG 10 2HG ARG 10 0.945 2.697 -4.669
76 HG3 ARG 10 1HG ARG 10 2.250 2.422 -3.511
77 HD2 ARG 10 2HD ARG 10 0.992 0.232 -5.147
78 HD3 ARG 10 1HD ARG 10 2.437 1.110 -5.657
79 HE ARG 10 HE ARG 10 3.256 0.386 -3.328
80 HH11 ARG 10 1HH1 ARG 10 1.325 -1.649 -5.494
81 HH12 ARG 10 2HH1 ARG 10 1.978 -3.111 -4.943
82 HH21 ARG 10 1HH2 ARG 10 4.175 -1.602 -2.571
83 HH22 ARG 10 2HH2 ARG 10 3.680 -3.090 -3.185
84 H ALA 11 H PRG 11 -1.599 3.841 -1.075
85 HA ALA 11 HA PRG 11 -2.687 1.668 0.515
86 HB1 ALA 11 1HB PRG 11 -3.496 3.183 2.217
87 HB2 ALA 11 2HB PRG 11 -2.891 4.589 1.400
88 H PHE 12 H PHE 12 -4.872 1.587 0.735
89 HA PHE 12 HA PHE 12 -6.312 2.814 -1.518
90 HB2 PHE 12 2HB PHE 12 -6.636 0.006 -0.428
91 HB3 PHE 12 1HB PHE 12 -7.536 0.707 -1.756
92 HD1 PHE 12 1HD PHE 12 -6.573 0.967 -3.930
93 HD2 PHE 12 2HD PHE 12 -4.248 -0.634 -0.744
94 HE1 PHE 12 1HE PHE 12 -4.883 0.208 -5.531
95 HE2 PHE 12 2HE PHE 12 -2.567 -1.395 -2.343
96 HZ PHE 12 HZ PHE 12 -2.878 -0.972 -4.744
97 HA PRO 13 HA PRO 13 -8.982 4.482 1.539
98 HB2 PRO 13 2HB PRO 13 -11.283 4.700 0.107
99 HB3 PRO 13 1HB PRO 13 -9.900 5.785 -0.074
100 HG2 PRO 13 2HG PRO 13 -10.654 3.392 -1.713
101 HG3 PRO 13 1HG PRO 13 -10.124 4.993 -2.262
102 HD2 PRO 13 2HD PRO 13 -8.428 2.935 -2.200
103 HD3 PRO 13 1HD PRO 13 -7.896 4.566 -1.740
104 H ASP 14 H ASP 14 -9.520 1.312 0.464
105 HA ASP 14 HA ASP 14 -11.850 1.071 2.207
106 HB2 ASP 14 2HB ASP 14 -12.255 -1.106 1.301
107 HB3 ASP 14 1HB ASP 14 -11.867 -0.068 -0.056
108 H1 WMH 101 1HG AZH 3 -2.369 2.134 4.868
109 H2 WMH 101 2HG AZH 3 -2.911 1.687 3.292
110 H5 WMH 101 HD PRG 11 -0.140 4.859 1.274
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -8.813 0.917 2.840
2 HA2 GLY 1 2HA GLY 1 -7.871 0.038 4.812
3 HA3 GLY 1 1HA GLY 1 -8.942 -1.349 4.652
4 H ARG 2 H ARG 2 -6.404 0.232 2.758
5 HA ARG 2 HA ARG 2 -5.136 -2.362 2.411
6 HB2 ARG 2 2HB ARG 2 -6.844 -1.954 0.592
7 HB3 ARG 2 1HB ARG 2 -5.844 -0.609 0.089
8 HG2 ARG 2 2HG ARG 2 -3.974 -2.145 -0.313
9 HG3 ARG 2 1HG ARG 2 -5.007 -3.499 0.151
10 HD2 ARG 2 2HD ARG 2 -5.343 -1.653 -2.215
11 HD3 ARG 2 1HD ARG 2 -5.011 -3.387 -2.223
12 HE ARG 2 HE ARG 2 -7.507 -2.435 -1.028
13 HH11 ARG 2 1HH1 ARG 2 -5.950 -4.071 -3.746
14 HH12 ARG 2 2HH1 ARG 2 -7.373 -4.782 -4.324
15 HH21 ARG 2 1HH2 ARG 2 -9.391 -3.330 -1.756
16 HH22 ARG 2 2HH2 ARG 2 -9.461 -4.326 -3.160
17 H ALA 3 H AZH 3 -3.129 -1.903 2.993
18 HA ALA 3 HA AZH 3 -1.792 0.364 1.739
19 HB1 ALA 3 1HB AZH 3 -0.470 0.308 4.060
20 HB2 ALA 3 2HB AZH 3 -2.025 -0.263 4.651
21 H THR 4 H THR 4 0.100 -0.228 0.846
22 HA THR 4 HA THR 4 0.850 -2.972 1.181
23 HB THR 4 HB THR 4 2.522 -2.416 -0.635
24 HG1 THR 4 1HG THR 4 2.736 -0.445 -1.245
25 HG21 THR 4 1HG2 THR 4 0.834 -2.295 -2.424
26 HG22 THR 4 2HG2 THR 4 -0.386 -1.841 -1.234
27 HG23 THR 4 3HG2 THR 4 0.360 -3.438 -1.168
28 H LYS 5 H LYS 5 2.468 -3.646 2.322
29 HA LYS 5 HA LYS 5 3.954 -1.782 3.954
30 HB2 LYS 5 2HB LYS 5 4.171 -4.802 3.749
31 HB3 LYS 5 1HB LYS 5 4.861 -3.795 5.020
32 HG2 LYS 5 2HG LYS 5 2.654 -3.138 5.747
33 HG3 LYS 5 1HG LYS 5 1.928 -4.054 4.428
34 HD2 LYS 5 2HD LYS 5 1.716 -5.310 6.469
35 HD3 LYS 5 1HD LYS 5 2.885 -6.116 5.430
36 HE2 LYS 5 2HE LYS 5 4.711 -5.260 6.706
37 HE3 LYS 5 1HE LYS 5 3.631 -4.237 7.658
38 HZ1 LYS 5 1HZ LYS 5 4.250 -6.254 8.852
39 HZ2 LYS 5 2HZ LYS 5 3.595 -7.206 7.623
40 HZ3 LYS 5 3HZ LYS 5 2.593 -6.209 8.537
41 H SER 6 H SER 6 4.372 -3.855 1.202
42 HA SER 6 HA SER 6 7.156 -3.516 0.964
43 HB2 SER 6 2HB SER 6 6.544 -4.516 -1.333
44 HB3 SER 6 1HB SER 6 6.229 -5.502 0.099
45 HG SER 6 HG SER 6 4.525 -5.119 -1.646
46 H ILE 7 H ILE 7 8.194 -2.063 -0.412
47 HA ILE 7 HA ILE 7 6.710 0.310 -1.003
48 HB ILE 7 HB ILE 7 8.834 1.277 -1.750
49 HG12 ILE 7 2HG1 ILE 7 10.052 -1.449 -1.217
50 HG13 ILE 7 1HG1 ILE 7 9.748 -0.796 -2.821
51 HG21 ILE 7 1HG2 ILE 7 8.319 1.263 0.626
52 HG22 ILE 7 2HG2 ILE 7 10.054 1.099 0.366
53 HG23 ILE 7 3HG2 ILE 7 9.091 -0.313 0.798
54 HD11 ILE 7 1HD1 ILE 7 11.317 1.020 -2.373
55 HD12 ILE 7 2HD1 ILE 7 12.082 -0.558 -2.186
56 HD13 ILE 7 3HD1 ILE 7 11.608 0.369 -0.762
57 HA PRO 8 HA PRO 8 6.904 2.132 -2.448
58 HB2 PRO 8 2HB PRO 8 4.900 3.146 -3.945
59 HB3 PRO 8 1HB PRO 8 6.565 3.063 -4.531
60 HG2 PRO 8 2HG PRO 8 4.269 1.215 -5.069
61 HG3 PRO 8 1HG PRO 8 5.449 1.875 -6.213
62 HD2 PRO 8 2HD PRO 8 5.644 -0.623 -5.206
63 HD3 PRO 8 1HD PRO 8 7.071 0.350 -5.605
64 HA PRO 9 HA PRO 9 3.387 1.158 0.215
65 HB2 PRO 9 2HB PRO 9 3.695 3.753 1.482
66 HB3 PRO 9 1HB PRO 9 4.064 2.159 2.139
67 HG2 PRO 9 2HG PRO 9 5.975 4.010 1.517
68 HG3 PRO 9 1HG PRO 9 6.259 2.262 1.500
69 HD2 PRO 9 2HD PRO 9 5.736 4.124 -0.780
70 HD3 PRO 9 1HD PRO 9 6.859 2.748 -0.653
71 H ARG 10 H ARG 10 1.600 1.270 -0.974
72 HA ARG 10 HA ARG 10 0.463 3.901 -1.585
73 HB2 ARG 10 2HB ARG 10 0.080 1.245 -2.984
74 HB3 ARG 10 1HB ARG 10 -0.778 2.724 -3.391
75 HG2 ARG 10 2HG ARG 10 1.303 3.785 -4.046
76 HG3 ARG 10 1HG ARG 10 2.206 2.348 -3.566
77 HD2 ARG 10 2HD ARG 10 1.023 1.039 -5.247
78 HD3 ARG 10 1HD ARG 10 0.103 2.469 -5.718
79 HE ARG 10 HE ARG 10 2.674 3.239 -5.974
80 HH11 ARG 10 1HH1 ARG 10 0.818 0.520 -7.314
81 HH12 ARG 10 2HH1 ARG 10 1.725 0.429 -8.752
82 HH21 ARG 10 1HH2 ARG 10 3.935 3.091 -7.983
83 HH22 ARG 10 2HH2 ARG 10 3.543 1.910 -9.127
84 H ALA 11 H PRG 11 -1.518 4.298 -0.722
85 HA ALA 11 HA PRG 11 -2.780 2.053 0.639
86 HB1 ALA 11 1HB PRG 11 -3.452 3.464 2.475
87 HB2 ALA 11 2HB PRG 11 -2.781 4.893 1.746
88 H PHE 12 H PHE 12 -4.966 2.074 0.805
89 HA PHE 12 HA PHE 12 -6.397 3.882 -0.995
90 HB2 PHE 12 2HB PHE 12 -6.674 0.856 -1.008
91 HB3 PHE 12 1HB PHE 12 -7.618 1.977 -1.965
92 HD1 PHE 12 1HD PHE 12 -4.467 0.217 -1.654
93 HD2 PHE 12 2HD PHE 12 -6.569 3.195 -3.846
94 HE1 PHE 12 1HE PHE 12 -2.797 0.062 -3.452
95 HE2 PHE 12 2HE PHE 12 -4.898 3.046 -5.645
96 HZ PHE 12 HZ PHE 12 -3.014 1.479 -5.447
97 HA PRO 13 HA PRO 13 -9.165 4.184 2.381
98 HB2 PRO 13 2HB PRO 13 -11.489 4.826 1.181
99 HB3 PRO 13 1HB PRO 13 -10.105 5.925 1.231
100 HG2 PRO 13 2HG PRO 13 -10.989 4.100 -0.976
101 HG3 PRO 13 1HG PRO 13 -10.479 5.797 -1.065
102 HD2 PRO 13 2HD PRO 13 -8.821 3.767 -1.684
103 HD3 PRO 13 1HD PRO 13 -8.239 5.263 -0.930
104 H ASP 14 H ASP 14 -9.258 1.439 0.666
105 HA ASP 14 HA ASP 14 -11.790 0.490 1.814
106 HB2 ASP 14 2HB ASP 14 -11.618 -1.427 0.367
107 HB3 ASP 14 1HB ASP 14 -11.280 -0.005 -0.606
108 H1 WMH 101 1HG AZH 3 -2.357 2.062 4.911
109 H2 WMH 101 2HG AZH 3 -2.891 1.781 3.290
110 H5 WMH 101 HD PRG 11 -0.053 5.082 1.630
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -8.778 0.960 2.405
2 HA2 GLY 1 2HA GLY 1 -7.959 0.552 4.610
3 HA3 GLY 1 1HA GLY 1 -9.077 -0.803 4.716
4 H ARG 2 H ARG 2 -6.627 0.169 2.361
5 HA ARG 2 HA ARG 2 -5.301 -2.424 2.829
6 HB2 ARG 2 2HB ARG 2 -5.574 -1.090 0.155
7 HB3 ARG 2 1HB ARG 2 -4.881 -2.672 0.468
8 HG2 ARG 2 2HG ARG 2 -7.775 -1.898 0.740
9 HG3 ARG 2 1HG ARG 2 -7.061 -2.818 -0.582
10 HD2 ARG 2 2HD ARG 2 -6.528 -4.625 0.899
11 HD3 ARG 2 1HD ARG 2 -7.061 -3.681 2.298
12 HE ARG 2 HE ARG 2 -9.218 -3.641 0.770
13 HH11 ARG 2 1HH1 ARG 2 -7.192 -6.338 1.883
14 HH12 ARG 2 2HH1 ARG 2 -8.438 -7.490 1.771
15 HH21 ARG 2 1HH2 ARG 2 -10.918 -5.206 0.687
16 HH22 ARG 2 2HH2 ARG 2 -10.616 -6.823 1.116
17 H ALA 3 H AZH 3 -3.065 -2.251 2.718
18 HA ALA 3 HA AZH 3 -1.827 0.219 1.867
19 HB1 ALA 3 1HB AZH 3 -0.542 0.047 4.211
20 HB2 ALA 3 2HB AZH 3 -2.093 -0.613 4.713
21 H THR 4 H THR 4 0.134 -0.191 0.991
22 HA THR 4 HA THR 4 0.948 -2.929 1.086
23 HB THR 4 HB THR 4 2.685 -2.216 -0.593
24 HG1 THR 4 1HG THR 4 2.934 -0.194 -1.038
25 HG21 THR 4 1HG2 THR 4 -0.184 -1.544 -1.266
26 HG22 THR 4 2HG2 THR 4 0.543 -3.150 -1.325
27 HG23 THR 4 3HG2 THR 4 1.088 -1.893 -2.436
28 H LYS 5 H LYS 5 2.522 -3.732 2.155
29 HA LYS 5 HA LYS 5 4.012 -2.048 3.998
30 HB2 LYS 5 2HB LYS 5 2.791 -4.101 4.700
31 HB3 LYS 5 1HB LYS 5 3.857 -5.055 3.692
32 HG2 LYS 5 2HG LYS 5 5.760 -4.450 5.089
33 HG3 LYS 5 1HG LYS 5 4.720 -3.421 6.079
34 HD2 LYS 5 2HD LYS 5 4.362 -6.399 5.717
35 HD3 LYS 5 1HD LYS 5 5.150 -5.645 7.101
36 HE2 LYS 5 2HE LYS 5 3.096 -4.518 7.709
37 HE3 LYS 5 1HE LYS 5 2.289 -5.109 6.265
38 HZ1 LYS 5 1HZ LYS 5 1.692 -6.378 8.194
39 HZ2 LYS 5 2HZ LYS 5 3.295 -6.820 8.474
40 HZ3 LYS 5 3HZ LYS 5 2.495 -7.349 7.093
41 H SER 6 H SER 6 4.208 -3.131 0.953
42 HA SER 6 HA SER 6 7.103 -3.249 0.909
43 HB2 SER 6 2HB SER 6 6.720 -4.284 -1.363
44 HB3 SER 6 1HB SER 6 6.149 -5.255 -0.006
45 HG SER 6 HG SER 6 4.696 -3.788 -1.902
46 H ILE 7 H ILE 7 8.147 -2.019 -0.697
47 HA ILE 7 HA ILE 7 6.904 0.495 -1.212
48 HB ILE 7 HB ILE 7 9.011 1.082 -2.403
49 HG12 ILE 7 2HG1 ILE 7 9.881 -1.740 -1.692
50 HG13 ILE 7 1HG1 ILE 7 9.527 -1.165 -3.315
51 HG21 ILE 7 1HG2 ILE 7 8.856 1.470 -0.029
52 HG22 ILE 7 2HG2 ILE 7 10.496 0.951 -0.434
53 HG23 ILE 7 3HG2 ILE 7 9.366 -0.185 0.301
54 HD11 ILE 7 1HD1 ILE 7 11.752 -0.203 -1.533
55 HD12 ILE 7 2HD1 ILE 7 11.408 0.395 -3.153
56 HD13 ILE 7 3HD1 ILE 7 11.919 -1.278 -2.921
57 HA PRO 8 HA PRO 8 6.940 2.157 -2.608
58 HB2 PRO 8 2HB PRO 8 4.931 3.394 -3.943
59 HB3 PRO 8 1HB PRO 8 6.533 3.170 -4.652
60 HG2 PRO 8 2HG PRO 8 4.021 1.633 -5.112
61 HG3 PRO 8 1HG PRO 8 5.273 2.107 -6.271
62 HD2 PRO 8 2HD PRO 8 5.058 -0.398 -5.149
63 HD3 PRO 8 1HD PRO 8 6.566 0.275 -5.792
64 HA PRO 9 HA PRO 9 3.640 1.351 0.347
65 HB2 PRO 9 2HB PRO 9 4.178 4.042 1.412
66 HB3 PRO 9 1HB PRO 9 4.347 2.479 2.215
67 HG2 PRO 9 2HG PRO 9 6.492 3.928 1.503
68 HG3 PRO 9 1HG PRO 9 6.493 2.157 1.428
69 HD2 PRO 9 2HD PRO 9 6.128 4.140 -0.791
70 HD3 PRO 9 1HD PRO 9 7.098 2.649 -0.744
71 H ARG 10 H ARG 10 1.763 1.441 -0.646
72 HA ARG 10 HA ARG 10 0.518 4.048 -1.153
73 HB2 ARG 10 2HB ARG 10 0.278 1.493 -2.733
74 HB3 ARG 10 1HB ARG 10 -0.736 2.905 -2.960
75 HG2 ARG 10 2HG ARG 10 1.236 4.203 -3.609
76 HG3 ARG 10 1HG ARG 10 2.239 2.766 -3.390
77 HD2 ARG 10 2HD ARG 10 1.626 3.120 -5.741
78 HD3 ARG 10 1HD ARG 10 1.003 1.602 -5.102
79 HE ARG 10 HE ARG 10 -1.012 3.412 -4.714
80 HH11 ARG 10 1HH1 ARG 10 0.772 2.323 -7.542
81 HH12 ARG 10 2HH1 ARG 10 -0.569 2.410 -8.599
82 HH21 ARG 10 1HH2 ARG 10 -2.815 3.598 -6.124
83 HH22 ARG 10 2HH2 ARG 10 -2.676 3.179 -7.770
84 H ALA 11 H PRG 11 -1.718 4.099 -0.664
85 HA ALA 11 HA PRG 11 -2.687 1.733 0.698
86 HB1 ALA 11 1HB PRG 11 -3.606 3.012 2.547
87 HB2 ALA 11 2HB PRG 11 -3.028 4.521 1.922
88 H PHE 12 H PHE 12 -4.915 1.628 0.852
89 HA PHE 12 HA PHE 12 -6.233 3.189 -1.238
90 HB2 PHE 12 2HB PHE 12 -6.643 0.221 -0.719
91 HB3 PHE 12 1HB PHE 12 -7.498 1.189 -1.897
92 HD1 PHE 12 1HD PHE 12 -4.431 -0.689 -1.270
93 HD2 PHE 12 2HD PHE 12 -6.290 2.156 -3.840
94 HE1 PHE 12 1HE PHE 12 -2.746 -1.134 -2.969
95 HE2 PHE 12 2HE PHE 12 -4.592 1.701 -5.554
96 HZ PHE 12 HZ PHE 12 -2.812 0.056 -5.119
97 HA PRO 13 HA PRO 13 -9.030 4.495 1.866
98 HB2 PRO 13 2HB PRO 13 -11.197 4.249 -0.146
99 HB3 PRO 13 1HB PRO 13 -10.693 5.645 0.808
100 HG2 PRO 13 2HG PRO 13 -10.071 5.501 -1.765
101 HG3 PRO 13 1HG PRO 13 -8.906 6.130 -0.587
102 HD2 PRO 13 2HD PRO 13 -9.002 3.446 -1.906
103 HD3 PRO 13 1HD PRO 13 -7.612 4.496 -1.557
104 H ASP 14 H ASP 14 -9.842 1.520 0.204
105 HA ASP 14 HA ASP 14 -12.003 0.938 2.026
106 HB2 ASP 14 2HB ASP 14 -12.296 -1.144 0.893
107 HB3 ASP 14 1HB ASP 14 -11.969 0.062 -0.334
108 H1 WMH 101 1HG AZH 3 -2.530 1.705 5.101
109 H2 WMH 101 2HG AZH 3 -3.003 1.456 3.469
110 H5 WMH 101 HD PRG 11 -0.281 4.860 1.892
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -8.551 1.125 2.486
2 HA2 GLY 1 2HA GLY 1 -7.901 1.303 4.794
3 HA3 GLY 1 1HA GLY 1 -9.028 0.009 5.172
4 H ARG 2 H ARG 2 -6.773 0.002 2.498
5 HA ARG 2 HA ARG 2 -5.162 -1.966 3.904
6 HB2 ARG 2 2HB ARG 2 -6.540 -2.306 1.278
7 HB3 ARG 2 1HB ARG 2 -5.026 -3.144 1.590
8 HG2 ARG 2 2HG ARG 2 -5.953 -4.384 3.365
9 HG3 ARG 2 1HG ARG 2 -7.371 -3.341 3.455
10 HD2 ARG 2 2HD ARG 2 -7.747 -5.568 2.383
11 HD3 ARG 2 1HD ARG 2 -8.227 -4.181 1.413
12 HE ARG 2 HE ARG 2 -5.767 -5.753 1.019
13 HH11 ARG 2 1HH1 ARG 2 -8.355 -3.682 -0.236
14 HH12 ARG 2 2HH1 ARG 2 -7.970 -3.959 -1.873
15 HH21 ARG 2 1HH2 ARG 2 -5.236 -6.108 -1.209
16 HH22 ARG 2 2HH2 ARG 2 -6.127 -5.367 -2.462
17 H ALA 3 H AZH 3 -3.073 -1.892 3.556
18 HA ALA 3 HA AZH 3 -2.000 0.078 1.675
19 HB1 ALA 3 1HB AZH 3 -0.247 0.366 3.599
20 HB2 ALA 3 2HB AZH 3 -1.534 -0.255 4.622
21 H THR 4 H THR 4 0.046 -0.467 0.835
22 HA THR 4 HA THR 4 0.653 -3.277 0.987
23 HB THR 4 HB THR 4 2.365 -2.772 -0.738
24 HG1 THR 4 1HG THR 4 3.101 -0.811 -0.524
25 HG21 THR 4 1HG2 THR 4 -0.322 -1.518 -1.331
26 HG22 THR 4 2HG2 THR 4 0.070 -3.231 -1.475
27 HG23 THR 4 3HG2 THR 4 0.845 -2.056 -2.538
28 H LYS 5 H LYS 5 2.490 -4.141 1.887
29 HA LYS 5 HA LYS 5 3.957 -2.399 3.689
30 HB2 LYS 5 2HB LYS 5 4.121 -5.392 3.259
31 HB3 LYS 5 1HB LYS 5 5.074 -4.520 4.442
32 HG2 LYS 5 2HG LYS 5 2.960 -3.791 5.537
33 HG3 LYS 5 1HG LYS 5 2.070 -4.797 4.403
34 HD2 LYS 5 2HD LYS 5 2.317 -5.996 6.479
35 HD3 LYS 5 1HD LYS 5 3.317 -6.773 5.260
36 HE2 LYS 5 2HE LYS 5 4.470 -6.603 7.416
37 HE3 LYS 5 1HE LYS 5 5.312 -5.696 6.169
38 HZ1 LYS 5 1HZ LYS 5 5.148 -4.520 8.313
39 HZ2 LYS 5 2HZ LYS 5 3.475 -4.465 8.185
40 HZ3 LYS 5 3HZ LYS 5 4.445 -3.656 7.075
41 H SER 6 H SER 6 4.101 -3.543 0.577
42 HA SER 6 HA SER 6 6.918 -3.563 0.238
43 HB2 SER 6 2HB SER 6 6.219 -3.692 -2.174
44 HB3 SER 6 1HB SER 6 5.550 -4.957 -1.136
45 HG SER 6 HG SER 6 3.918 -4.180 -2.386
46 H ILE 7 H ILE 7 8.097 -1.939 -0.842
47 HA ILE 7 HA ILE 7 6.877 0.699 -0.777
48 HB ILE 7 HB ILE 7 9.189 1.565 -1.134
49 HG12 ILE 7 2HG1 ILE 7 10.039 -1.331 -0.832
50 HG13 ILE 7 1HG1 ILE 7 10.106 -0.413 -2.331
51 HG21 ILE 7 1HG2 ILE 7 8.865 -0.298 1.211
52 HG22 ILE 7 2HG2 ILE 7 8.333 1.381 1.118
53 HG23 ILE 7 3HG2 ILE 7 10.054 0.999 1.103
54 HD11 ILE 7 1HD1 ILE 7 11.661 0.151 0.182
55 HD12 ILE 7 2HD1 ILE 7 11.744 1.093 -1.306
56 HD13 ILE 7 3HD1 ILE 7 12.291 -0.585 -1.292
57 HA PRO 8 HA PRO 8 7.018 2.700 -1.741
58 HB2 PRO 8 2HB PRO 8 4.988 3.584 -3.626
59 HB3 PRO 8 1HB PRO 8 6.513 4.367 -3.209
60 HG2 PRO 8 2HG PRO 8 6.026 3.240 -5.639
61 HG3 PRO 8 1HG PRO 8 7.642 3.369 -4.936
62 HD2 PRO 8 2HD PRO 8 5.804 1.016 -5.042
63 HD3 PRO 8 1HD PRO 8 7.564 1.082 -5.269
64 HA PRO 9 HA PRO 9 3.383 1.042 0.161
65 HB2 PRO 9 2HB PRO 9 2.843 3.064 1.903
66 HB3 PRO 9 1HB PRO 9 4.135 1.885 2.164
67 HG2 PRO 9 2HG PRO 9 4.299 4.688 1.158
68 HG3 PRO 9 1HG PRO 9 5.414 3.810 2.218
69 HD2 PRO 9 2HD PRO 9 5.854 4.227 -0.450
70 HD3 PRO 9 1HD PRO 9 6.523 2.859 0.459
71 H ARG 10 H ARG 10 1.678 0.956 -1.088
72 HA ARG 10 HA ARG 10 0.309 3.412 -1.894
73 HB2 ARG 10 2HB ARG 10 -0.098 0.543 -2.759
74 HB3 ARG 10 1HB ARG 10 -1.007 1.913 -3.363
75 HG2 ARG 10 2HG ARG 10 1.088 2.838 -4.290
76 HG3 ARG 10 1HG ARG 10 1.930 1.379 -3.755
77 HD2 ARG 10 2HD ARG 10 1.306 1.203 -6.113
78 HD3 ARG 10 1HD ARG 10 0.435 0.015 -5.145
79 HE ARG 10 HE ARG 10 -1.104 2.339 -5.345
80 HH11 ARG 10 1HH1 ARG 10 -0.002 -0.266 -7.494
81 HH12 ARG 10 2HH1 ARG 10 -1.388 -0.213 -8.477
82 HH21 ARG 10 1HH2 ARG 10 -2.964 2.423 -6.723
83 HH22 ARG 10 2HH2 ARG 10 -3.102 1.354 -8.033
84 H ALA 11 H PRG 11 -1.591 3.925 -0.911
85 HA ALA 11 HA PRG 11 -2.738 1.797 0.697
86 HB1 ALA 11 1HB PRG 11 -3.447 3.356 2.390
87 HB2 ALA 11 2HB PRG 11 -2.840 4.734 1.529
88 H PHE 12 H PHE 12 -4.777 1.472 0.603
89 HA PHE 12 HA PHE 12 -6.177 2.943 -1.499
90 HB2 PHE 12 2HB PHE 12 -6.494 0.061 -0.624
91 HB3 PHE 12 1HB PHE 12 -7.410 0.847 -1.903
92 HD1 PHE 12 1HD PHE 12 -6.342 1.419 -4.027
93 HD2 PHE 12 2HD PHE 12 -4.216 -0.635 -0.971
94 HE1 PHE 12 1HE PHE 12 -4.618 0.786 -5.658
95 HE2 PHE 12 2HE PHE 12 -2.488 -1.276 -2.598
96 HZ PHE 12 HZ PHE 12 -2.683 -0.566 -4.943
97 HA PRO 13 HA PRO 13 -8.980 4.456 1.485
98 HB2 PRO 13 2HB PRO 13 -11.251 4.704 0.000
99 HB3 PRO 13 1HB PRO 13 -9.862 5.787 -0.134
100 HG2 PRO 13 2HG PRO 13 -10.590 3.434 -1.836
101 HG3 PRO 13 1HG PRO 13 -10.032 5.043 -2.335
102 HD2 PRO 13 2HD PRO 13 -8.359 2.953 -2.265
103 HD3 PRO 13 1HD PRO 13 -7.827 4.581 -1.802
104 H ASP 14 H ASP 14 -9.418 1.325 0.320
105 HA ASP 14 HA ASP 14 -11.824 0.861 1.839
106 HB2 ASP 14 2HB ASP 14 -11.627 -1.482 1.194
107 HB3 ASP 14 1HB ASP 14 -11.414 -0.464 -0.216
108 H1 WMH 101 1HG AZH 3 -2.294 1.954 4.761
109 H2 WMH 101 2HG AZH 3 -2.764 1.658 3.129
110 H5 WMH 101 HD PRG 11 -0.169 5.128 1.501
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -8.560 0.995 2.464
2 HA2 GLY 1 2HA GLY 1 -7.481 0.911 4.573
3 HA3 GLY 1 1HA GLY 1 -8.458 -0.488 4.987
4 H ARG 2 H ARG 2 -6.636 0.050 2.034
5 HA ARG 2 HA ARG 2 -5.002 -2.278 2.786
6 HB2 ARG 2 2HB ARG 2 -5.709 -1.362 -0.003
7 HB3 ARG 2 1HB ARG 2 -4.699 -2.735 0.405
8 HG2 ARG 2 2HG ARG 2 -6.623 -3.803 1.479
9 HG3 ARG 2 1HG ARG 2 -7.626 -2.432 0.996
10 HD2 ARG 2 2HD ARG 2 -7.023 -2.886 -1.360
11 HD3 ARG 2 1HD ARG 2 -6.147 -4.318 -0.820
12 HE ARG 2 HE ARG 2 -8.979 -3.946 -0.248
13 HH11 ARG 2 1HH1 ARG 2 -6.349 -5.901 -1.635
14 HH12 ARG 2 2HH1 ARG 2 -7.325 -7.200 -2.104
15 HH21 ARG 2 1HH2 ARG 2 -10.383 -5.755 -0.972
16 HH22 ARG 2 2HH2 ARG 2 -9.682 -7.109 -1.734
17 H ALA 3 H AZH 3 -3.155 -1.528 3.457
18 HA ALA 3 HA AZH 3 -1.770 0.485 1.840
19 HB1 ALA 3 1HB AZH 3 -0.397 0.639 4.073
20 HB2 ALA 3 2HB AZH 3 -1.837 -0.071 4.787
21 H THR 4 H THR 4 0.136 -0.096 0.955
22 HA THR 4 HA THR 4 0.736 -2.866 0.977
23 HB THR 4 HB THR 4 2.576 -2.117 -0.619
24 HG1 THR 4 1HG THR 4 2.798 -0.064 -1.027
25 HG21 THR 4 1HG2 THR 4 0.988 -1.639 -2.435
26 HG22 THR 4 2HG2 THR 4 -0.273 -1.316 -1.245
27 HG23 THR 4 3HG2 THR 4 0.396 -2.939 -1.400
28 H LYS 5 H LYS 5 2.296 -3.920 2.004
29 HA LYS 5 HA LYS 5 3.883 -2.492 3.951
30 HB2 LYS 5 2HB LYS 5 4.625 -4.696 4.722
31 HB3 LYS 5 1HB LYS 5 2.880 -4.660 4.590
32 HG2 LYS 5 2HG LYS 5 3.018 -5.900 2.478
33 HG3 LYS 5 1HG LYS 5 4.775 -5.930 2.613
34 HD2 LYS 5 2HD LYS 5 4.515 -7.110 4.795
35 HD3 LYS 5 1HD LYS 5 2.781 -7.193 4.495
36 HE2 LYS 5 2HE LYS 5 3.832 -9.292 3.869
37 HE3 LYS 5 1HE LYS 5 3.218 -8.475 2.434
38 HZ1 LYS 5 1HZ LYS 5 6.060 -8.419 3.326
39 HZ2 LYS 5 2HZ LYS 5 5.442 -7.756 1.899
40 HZ3 LYS 5 3HZ LYS 5 5.446 -9.410 2.117
41 H SER 6 H SER 6 4.236 -3.874 0.824
42 HA SER 6 HA SER 6 7.113 -3.681 0.869
43 HB2 SER 6 2HB SER 6 6.821 -4.454 -1.527
44 HB3 SER 6 1HB SER 6 6.205 -5.570 -0.307
45 HG SER 6 HG SER 6 4.951 -4.578 -2.339
46 H ILE 7 H ILE 7 8.089 -2.424 -1.074
47 HA ILE 7 HA ILE 7 6.859 0.180 -0.965
48 HB ILE 7 HB ILE 7 8.893 1.022 -2.097
49 HG12 ILE 7 2HG1 ILE 7 9.923 -1.813 -1.874
50 HG13 ILE 7 1HG1 ILE 7 9.403 -1.067 -3.383
51 HG21 ILE 7 1HG2 ILE 7 8.810 0.972 0.319
52 HG22 ILE 7 2HG2 ILE 7 10.450 0.641 -0.236
53 HG23 ILE 7 3HG2 ILE 7 9.429 -0.680 0.333
54 HD11 ILE 7 1HD1 ILE 7 11.198 0.584 -3.142
55 HD12 ILE 7 2HD1 ILE 7 11.813 -1.069 -3.183
56 HD13 ILE 7 3HD1 ILE 7 11.704 -0.207 -1.649
57 HA PRO 8 HA PRO 8 6.952 1.996 -1.976
58 HB2 PRO 8 2HB PRO 8 5.059 3.461 -3.541
59 HB3 PRO 8 1HB PRO 8 6.814 3.618 -3.563
60 HG2 PRO 8 2HG PRO 8 5.311 2.669 -5.680
61 HG3 PRO 8 1HG PRO 8 7.028 2.320 -5.422
62 HD2 PRO 8 2HD PRO 8 4.641 0.643 -4.743
63 HD3 PRO 8 1HD PRO 8 6.195 0.153 -5.459
64 HA PRO 9 HA PRO 9 3.277 1.533 0.502
65 HB2 PRO 9 2HB PRO 9 3.295 3.888 1.860
66 HB3 PRO 9 1HB PRO 9 4.372 2.549 2.258
67 HG2 PRO 9 2HG PRO 9 4.925 5.039 0.717
68 HG3 PRO 9 1HG PRO 9 5.970 4.165 1.848
69 HD2 PRO 9 2HD PRO 9 6.214 3.998 -0.866
70 HD3 PRO 9 1HD PRO 9 6.684 2.691 0.238
71 H ARG 10 H ARG 10 1.532 1.567 -0.747
72 HA ARG 10 HA ARG 10 0.331 4.168 -1.367
73 HB2 ARG 10 2HB ARG 10 0.054 1.595 -2.954
74 HB3 ARG 10 1HB ARG 10 -0.746 3.114 -3.319
75 HG2 ARG 10 2HG ARG 10 2.208 2.543 -3.459
76 HG3 ARG 10 1HG ARG 10 1.108 2.821 -4.813
77 HD2 ARG 10 2HD ARG 10 0.725 5.100 -4.061
78 HD3 ARG 10 1HD ARG 10 1.738 4.827 -2.652
79 HE ARG 10 HE ARG 10 2.712 4.770 -5.412
80 HH11 ARG 10 1HH1 ARG 10 3.243 5.472 -1.963
81 HH12 ARG 10 2HH1 ARG 10 4.725 6.266 -2.214
82 HH21 ARG 10 1HH2 ARG 10 4.769 5.900 -5.735
83 HH22 ARG 10 2HH2 ARG 10 5.599 6.541 -4.410
84 H ALA 11 H PRG 11 -1.666 4.418 -0.622
85 HA ALA 11 HA PRG 11 -2.769 2.072 0.697
86 HB1 ALA 11 1HB PRG 11 -3.643 3.448 2.472
87 HB2 ALA 11 2HB PRG 11 -3.088 4.919 1.724
88 H PHE 12 H PHE 12 -4.845 1.739 0.635
89 HA PHE 12 HA PHE 12 -6.308 3.274 -1.393
90 HB2 PHE 12 2HB PHE 12 -6.440 0.288 -0.890
91 HB3 PHE 12 1HB PHE 12 -7.400 1.168 -2.069
92 HD1 PHE 12 1HD PHE 12 -4.260 -0.458 -1.426
93 HD2 PHE 12 2HD PHE 12 -6.232 2.334 -3.966
94 HE1 PHE 12 1HE PHE 12 -2.493 -0.746 -3.108
95 HE2 PHE 12 2HE PHE 12 -4.466 2.049 -5.655
96 HZ PHE 12 HZ PHE 12 -2.594 0.505 -5.227
97 HA PRO 13 HA PRO 13 -9.507 4.483 1.305
98 HB2 PRO 13 2HB PRO 13 -11.298 3.102 -0.631
99 HB3 PRO 13 1HB PRO 13 -11.456 4.706 0.097
100 HG2 PRO 13 2HG PRO 13 -10.553 4.430 -2.380
101 HG3 PRO 13 1HG PRO 13 -9.844 5.629 -1.286
102 HD2 PRO 13 2HD PRO 13 -8.728 3.062 -2.254
103 HD3 PRO 13 1HD PRO 13 -7.900 4.540 -1.739
104 H ASP 14 H ASP 14 -9.977 1.118 0.190
105 HA ASP 14 HA ASP 14 -11.751 0.589 2.384
106 HB2 ASP 14 2HB ASP 14 -11.981 -1.678 1.621
107 HB3 ASP 14 1HB ASP 14 -11.964 -0.641 0.208
108 H1 WMH 101 1HG AZH 3 -2.534 2.189 4.945
109 H2 WMH 101 2HG AZH 3 -2.930 1.827 3.311
110 H5 WMH 101 HD PRG 11 -0.359 5.337 1.678
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -8.675 1.540 2.747
2 HA2 GLY 1 2HA GLY 1 -7.557 0.982 4.709
3 HA3 GLY 1 1HA GLY 1 -8.862 -0.124 5.119
4 H ARG 2 H ARG 2 -6.231 0.294 2.812
5 HA ARG 2 HA ARG 2 -5.447 -2.465 3.192
6 HB2 ARG 2 2HB ARG 2 -7.223 -2.266 1.320
7 HB3 ARG 2 1HB ARG 2 -5.965 -1.442 0.424
8 HG2 ARG 2 2HG ARG 2 -4.535 -3.416 0.575
9 HG3 ARG 2 1HG ARG 2 -5.829 -4.271 1.422
10 HD2 ARG 2 2HD ARG 2 -5.883 -3.190 -1.393
11 HD3 ARG 2 1HD ARG 2 -5.944 -4.881 -0.893
12 HE ARG 2 HE ARG 2 -8.088 -3.408 0.237
13 HH11 ARG 2 1HH1 ARG 2 -7.101 -4.900 -2.817
14 HH12 ARG 2 2HH1 ARG 2 -8.683 -5.076 -3.401
15 HH21 ARG 2 1HH2 ARG 2 -10.185 -3.514 -0.565
16 HH22 ARG 2 2HH2 ARG 2 -10.522 -4.264 -2.076
17 H ALA 3 H AZH 3 -3.303 -2.290 3.394
18 HA ALA 3 HA AZH 3 -1.936 -0.225 1.848
19 HB1 ALA 3 1HB AZH 3 -0.468 -0.170 4.070
20 HB2 ALA 3 2HB AZH 3 -2.006 -0.617 4.789
21 H THR 4 H THR 4 -0.159 -0.886 0.876
22 HA THR 4 HA THR 4 0.676 -3.590 1.356
23 HB THR 4 HB THR 4 2.155 -3.168 -0.644
24 HG1 THR 4 1HG THR 4 2.157 -1.326 -1.629
25 HG21 THR 4 1HG2 THR 4 -0.055 -4.172 -0.944
26 HG22 THR 4 2HG2 THR 4 0.331 -3.100 -2.294
27 HG23 THR 4 3HG2 THR 4 -0.778 -2.566 -1.033
28 H LYS 5 H LYS 5 2.688 -4.120 2.102
29 HA LYS 5 HA LYS 5 3.939 -2.015 3.629
30 HB2 LYS 5 2HB LYS 5 5.273 -3.815 4.654
31 HB3 LYS 5 1HB LYS 5 3.550 -4.092 4.797
32 HG2 LYS 5 2HG LYS 5 3.672 -5.711 2.950
33 HG3 LYS 5 1HG LYS 5 5.407 -5.428 2.837
34 HD2 LYS 5 2HD LYS 5 5.720 -6.238 5.100
35 HD3 LYS 5 1HD LYS 5 3.978 -6.437 5.291
36 HE2 LYS 5 2HE LYS 5 3.965 -8.113 3.532
37 HE3 LYS 5 1HE LYS 5 5.696 -7.898 3.289
38 HZ1 LYS 5 1HZ LYS 5 6.086 -8.696 5.515
39 HZ2 LYS 5 2HZ LYS 5 5.169 -9.830 4.667
40 HZ3 LYS 5 3HZ LYS 5 4.436 -8.843 5.805
41 H SER 6 H SER 6 4.344 -3.613 0.672
42 HA SER 6 HA SER 6 7.134 -3.248 0.383
43 HB2 SER 6 2HB SER 6 6.567 -3.657 -2.041
44 HB3 SER 6 1HB SER 6 6.034 -4.921 -0.929
45 HG SER 6 HG SER 6 4.352 -2.780 -1.675
46 H ILE 7 H ILE 7 8.209 -1.543 -0.478
47 HA ILE 7 HA ILE 7 6.739 0.966 -0.667
48 HB ILE 7 HB ILE 7 9.725 0.398 -0.424
49 HG12 ILE 7 2HG1 ILE 7 7.739 1.354 1.651
50 HG13 ILE 7 1HG1 ILE 7 8.438 -0.256 1.568
51 HG21 ILE 7 1HG2 ILE 7 9.992 2.767 0.068
52 HG22 ILE 7 2HG2 ILE 7 8.268 3.028 -0.157
53 HG23 ILE 7 3HG2 ILE 7 9.271 2.551 -1.532
54 HD11 ILE 7 1HD1 ILE 7 9.505 1.103 3.277
55 HD12 ILE 7 2HD1 ILE 7 9.948 2.302 2.060
56 HD13 ILE 7 3HD1 ILE 7 10.647 0.683 1.997
57 HA PRO 8 HA PRO 8 6.871 3.073 -1.696
58 HB2 PRO 8 2HB PRO 8 5.160 3.501 -4.056
59 HB3 PRO 8 1HB PRO 8 6.286 4.620 -3.288
60 HG2 PRO 8 2HG PRO 8 6.821 3.546 -5.677
61 HG3 PRO 8 1HG PRO 8 8.101 3.822 -4.483
62 HD2 PRO 8 2HD PRO 8 6.666 1.273 -5.154
63 HD3 PRO 8 1HD PRO 8 8.404 1.559 -4.915
64 HA PRO 9 HA PRO 9 3.405 0.634 -0.411
65 HB2 PRO 9 2HB PRO 9 2.548 2.223 1.604
66 HB3 PRO 9 1HB PRO 9 4.008 1.233 1.733
67 HG2 PRO 9 2HG PRO 9 3.745 4.150 1.129
68 HG3 PRO 9 1HG PRO 9 4.908 3.330 2.184
69 HD2 PRO 9 2HD PRO 9 5.506 4.142 -0.330
70 HD3 PRO 9 1HD PRO 9 6.261 2.737 0.452
71 H ARG 10 H ARG 10 1.353 0.519 -1.043
72 HA ARG 10 HA ARG 10 0.089 2.953 -2.076
73 HB2 ARG 10 2HB ARG 10 0.588 1.195 -3.762
74 HB3 ARG 10 1HB ARG 10 -0.372 0.060 -2.830
75 HG2 ARG 10 2HG ARG 10 -2.361 1.470 -3.211
76 HG3 ARG 10 1HG ARG 10 -1.379 2.544 -4.211
77 HD2 ARG 10 2HD ARG 10 -0.856 0.618 -5.686
78 HD3 ARG 10 1HD ARG 10 -1.922 -0.374 -4.699
79 HE ARG 10 HE ARG 10 -3.216 1.964 -5.699
80 HH11 ARG 10 1HH1 ARG 10 -2.298 -1.365 -6.540
81 HH12 ARG 10 2HH1 ARG 10 -3.518 -1.544 -7.712
82 HH21 ARG 10 1HH2 ARG 10 -4.857 1.718 -7.307
83 HH22 ARG 10 2HH2 ARG 10 -5.000 0.264 -8.187
84 H ALA 11 H PRG 11 -1.549 3.617 -0.816
85 HA ALA 11 HA PRG 11 -2.833 1.553 0.761
86 HB1 ALA 11 1HB PRG 11 -3.321 3.164 2.499
87 HB2 ALA 11 2HB PRG 11 -2.562 4.458 1.602
88 H PHE 12 H PHE 12 -4.763 1.272 0.585
89 HA PHE 12 HA PHE 12 -6.200 2.716 -1.487
90 HB2 PHE 12 2HB PHE 12 -6.872 0.163 -0.024
91 HB3 PHE 12 1HB PHE 12 -7.822 0.852 -1.317
92 HD1 PHE 12 1HD PHE 12 -7.439 0.243 -3.499
93 HD2 PHE 12 2HD PHE 12 -4.371 -0.458 -0.637
94 HE1 PHE 12 1HE PHE 12 -6.166 -1.016 -5.171
95 HE2 PHE 12 2HE PHE 12 -3.095 -1.717 -2.307
96 HZ PHE 12 HZ PHE 12 -3.994 -1.998 -4.580
97 HA PRO 13 HA PRO 13 -8.774 4.897 1.405
98 HB2 PRO 13 2HB PRO 13 -11.068 4.541 -0.386
99 HB3 PRO 13 1HB PRO 13 -10.238 6.023 0.082
100 HG2 PRO 13 2HG PRO 13 -10.029 4.996 -2.401
101 HG3 PRO 13 1HG PRO 13 -8.697 5.864 -1.622
102 HD2 PRO 13 2HD PRO 13 -9.088 2.928 -1.994
103 HD3 PRO 13 1HD PRO 13 -7.613 3.909 -2.102
104 H ASP 14 H ASP 14 -9.528 1.683 0.478
105 HA ASP 14 HA ASP 14 -11.778 1.531 2.344
106 HB2 ASP 14 2HB ASP 14 -12.184 -0.708 1.468
107 HB3 ASP 14 1HB ASP 14 -12.121 0.465 0.163
108 H1 WMH 101 1HG AZH 3 -2.319 1.720 4.829
109 H2 WMH 101 2HG AZH 3 -2.819 1.332 3.225
110 H5 WMH 101 HD PRG 11 0.134 4.447 1.419
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -8.357 1.234 2.631
2 HA2 GLY 1 2HA GLY 1 -7.309 0.941 4.768
3 HA3 GLY 1 1HA GLY 1 -8.265 -0.523 4.973
4 H ARG 2 H ARG 2 -7.387 -0.676 1.869
5 HA ARG 2 HA ARG 2 -5.390 -2.625 2.339
6 HB2 ARG 2 2HB ARG 2 -6.925 -2.754 0.416
7 HB3 ARG 2 1HB ARG 2 -6.223 -1.296 -0.243
8 HG2 ARG 2 2HG ARG 2 -4.121 -2.404 -0.616
9 HG3 ARG 2 1HG ARG 2 -4.714 -3.861 0.186
10 HD2 ARG 2 2HD ARG 2 -6.400 -4.153 -1.526
11 HD3 ARG 2 1HD ARG 2 -5.894 -2.657 -2.314
12 HE ARG 2 HE ARG 2 -3.702 -3.798 -2.617
13 HH11 ARG 2 1HH1 ARG 2 -6.675 -5.716 -2.390
14 HH12 ARG 2 2HH1 ARG 2 -6.095 -6.980 -3.359
15 HH21 ARG 2 1HH2 ARG 2 -2.921 -5.563 -3.982
16 HH22 ARG 2 2HH2 ARG 2 -3.947 -6.879 -4.304
17 H ALA 3 H AZH 3 -3.327 -2.357 2.670
18 HA ALA 3 HA AZH 3 -1.900 -0.088 1.563
19 HB1 ALA 3 1HB AZH 3 -0.691 -0.217 3.959
20 HB2 ALA 3 2HB AZH 3 -2.314 -0.681 4.444
21 H THR 4 H THR 4 0.099 -0.567 0.904
22 HA THR 4 HA THR 4 0.807 -3.315 0.765
23 HB THR 4 HB THR 4 2.815 -2.397 -0.441
24 HG1 THR 4 1HG THR 4 3.231 -0.427 0.002
25 HG21 THR 4 1HG2 THR 4 0.111 -1.428 -1.356
26 HG22 THR 4 2HG2 THR 4 0.804 -3.021 -1.659
27 HG23 THR 4 3HG2 THR 4 1.536 -1.589 -2.380
28 H LYS 5 H LYS 5 2.547 -4.320 1.731
29 HA LYS 5 HA LYS 5 3.496 -3.109 4.170
30 HB2 LYS 5 2HB LYS 5 4.616 -5.257 4.591
31 HB3 LYS 5 1HB LYS 5 2.936 -5.524 4.160
32 HG2 LYS 5 2HG LYS 5 3.614 -6.130 1.891
33 HG3 LYS 5 1HG LYS 5 5.299 -5.845 2.320
34 HD2 LYS 5 2HD LYS 5 5.121 -7.625 4.030
35 HD3 LYS 5 1HD LYS 5 3.465 -7.924 3.508
36 HE2 LYS 5 2HE LYS 5 4.260 -8.463 1.263
37 HE3 LYS 5 1HE LYS 5 5.915 -8.141 1.774
38 HZ1 LYS 5 1HZ LYS 5 5.426 -10.485 1.753
39 HZ2 LYS 5 2HZ LYS 5 4.160 -10.278 2.837
40 HZ3 LYS 5 3HZ LYS 5 5.740 -9.991 3.332
41 H SER 6 H SER 6 4.498 -3.558 0.949
42 HA SER 6 HA SER 6 7.228 -2.825 1.581
43 HB2 SER 6 2HB SER 6 7.617 -3.678 -0.789
44 HB3 SER 6 1HB SER 6 7.148 -4.882 0.411
45 HG SER 6 HG SER 6 5.831 -4.019 -1.820
46 H ILE 7 H ILE 7 8.250 -1.409 -0.089
47 HA ILE 7 HA ILE 7 6.476 0.796 -0.739
48 HB ILE 7 HB ILE 7 8.556 2.065 -1.224
49 HG12 ILE 7 2HG1 ILE 7 9.996 -0.464 -0.359
50 HG13 ILE 7 1HG1 ILE 7 9.955 0.176 -1.995
51 HG21 ILE 7 1HG2 ILE 7 9.394 2.169 1.068
52 HG22 ILE 7 2HG2 ILE 7 8.549 0.666 1.436
53 HG23 ILE 7 3HG2 ILE 7 7.632 2.113 1.011
54 HD11 ILE 7 1HD1 ILE 7 11.163 2.168 -1.239
55 HD12 ILE 7 2HD1 ILE 7 12.061 0.686 -0.902
56 HD13 ILE 7 3HD1 ILE 7 11.201 1.512 0.397
57 HA PRO 8 HA PRO 8 6.927 2.737 -2.289
58 HB2 PRO 8 2HB PRO 8 5.041 3.517 -4.082
59 HB3 PRO 8 1HB PRO 8 6.769 3.566 -4.437
60 HG2 PRO 8 2HG PRO 8 4.743 1.500 -5.183
61 HG3 PRO 8 1HG PRO 8 6.017 2.222 -6.183
62 HD2 PRO 8 2HD PRO 8 6.294 -0.213 -5.058
63 HD3 PRO 8 1HD PRO 8 7.669 0.893 -5.264
64 HA PRO 9 HA PRO 9 3.356 1.679 0.180
65 HB2 PRO 9 2HB PRO 9 3.039 4.582 0.595
66 HB3 PRO 9 1HB PRO 9 3.324 3.297 1.776
67 HG2 PRO 9 2HG PRO 9 5.239 5.056 1.142
68 HG3 PRO 9 1HG PRO 9 5.610 3.358 1.498
69 HD2 PRO 9 2HD PRO 9 5.428 4.741 -1.149
70 HD3 PRO 9 1HD PRO 9 6.581 3.517 -0.565
71 H ARG 10 H ARG 10 1.614 1.104 -0.906
72 HA ARG 10 HA ARG 10 0.154 3.211 -2.291
73 HB2 ARG 10 2HB ARG 10 0.992 1.436 -3.831
74 HB3 ARG 10 1HB ARG 10 0.090 0.245 -2.910
75 HG2 ARG 10 2HG ARG 10 -1.106 0.848 -4.935
76 HG3 ARG 10 1HG ARG 10 -2.003 1.359 -3.505
77 HD2 ARG 10 2HD ARG 10 -1.028 3.637 -3.780
78 HD3 ARG 10 1HD ARG 10 -0.294 3.096 -5.284
79 HE ARG 10 HE ARG 10 -2.602 2.684 -6.061
80 HH11 ARG 10 1HH1 ARG 10 -2.040 5.015 -3.428
81 HH12 ARG 10 2HH1 ARG 10 -3.399 5.954 -3.809
82 HH21 ARG 10 1HH2 ARG 10 -4.431 4.029 -6.568
83 HH22 ARG 10 2HH2 ARG 10 -4.789 5.407 -5.636
84 H ALA 11 H PRG 11 -1.543 3.821 -1.074
85 HA ALA 11 HA PRG 11 -2.876 1.674 0.351
86 HB1 ALA 11 1HB PRG 11 -3.403 3.112 2.203
87 HB2 ALA 11 2HB PRG 11 -2.626 4.493 1.496
88 H PHE 12 H PHE 12 -4.972 1.710 0.566
89 HA PHE 12 HA PHE 12 -6.456 3.453 -1.275
90 HB2 PHE 12 2HB PHE 12 -6.875 0.522 -0.662
91 HB3 PHE 12 1HB PHE 12 -7.964 1.496 -1.628
92 HD1 PHE 12 1HD PHE 12 -4.761 -0.235 -1.538
93 HD2 PHE 12 2HD PHE 12 -7.326 2.254 -3.847
94 HE1 PHE 12 1HE PHE 12 -3.450 -0.757 -3.548
95 HE2 PHE 12 2HE PHE 12 -6.020 1.737 -5.857
96 HZ PHE 12 HZ PHE 12 -4.083 0.227 -5.707
97 HA PRO 13 HA PRO 13 -8.956 4.703 2.100
98 HB2 PRO 13 2HB PRO 13 -11.429 4.859 0.986
99 HB3 PRO 13 1HB PRO 13 -10.144 6.034 0.678
100 HG2 PRO 13 2HG PRO 13 -10.992 3.678 -0.968
101 HG3 PRO 13 1HG PRO 13 -10.623 5.330 -1.498
102 HD2 PRO 13 2HD PRO 13 -8.840 3.360 -1.767
103 HD3 PRO 13 1HD PRO 13 -8.326 5.001 -1.332
104 H ASP 14 H ASP 14 -9.548 1.644 0.693
105 HA ASP 14 HA ASP 14 -11.666 0.971 2.568
106 HB2 ASP 14 2HB ASP 14 -11.762 -1.181 1.550
107 HB3 ASP 14 1HB ASP 14 -11.533 -0.029 0.237
108 H1 WMH 101 1HG AZH 3 -2.425 1.677 4.692
109 H2 WMH 101 2HG AZH 3 -3.020 1.394 3.082
110 H5 WMH 101 HD PRG 11 0.140 4.351 1.265
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.388 0.994 2.476
2 HA2 GLY 1 2HA GLY 1 -7.682 0.926 4.928
3 HA3 GLY 1 1HA GLY 1 -8.477 -0.636 4.914
4 H ARG 2 H ARG 2 -7.495 -0.910 2.034
5 HA ARG 2 HA ARG 2 -5.257 -2.479 2.619
6 HB2 ARG 2 2HB ARG 2 -6.215 -1.404 -0.017
7 HB3 ARG 2 1HB ARG 2 -4.867 -2.517 0.144
8 HG2 ARG 2 2HG ARG 2 -7.678 -3.045 1.038
9 HG3 ARG 2 1HG ARG 2 -6.965 -3.623 -0.466
10 HD2 ARG 2 2HD ARG 2 -5.264 -4.834 0.846
11 HD3 ARG 2 1HD ARG 2 -6.055 -4.300 2.328
12 HE ARG 2 HE ARG 2 -7.940 -5.503 0.702
13 HH11 ARG 2 1HH1 ARG 2 -5.083 -6.411 2.610
14 HH12 ARG 2 2HH1 ARG 2 -5.657 -7.985 2.938
15 HH21 ARG 2 1HH2 ARG 2 -8.656 -7.709 1.118
16 HH22 ARG 2 2HH2 ARG 2 -7.679 -8.729 2.068
17 H ALA 3 H AZH 3 -3.244 -2.125 2.823
18 HA ALA 3 HA AZH 3 -1.885 0.068 1.511
19 HB1 ALA 3 1HB AZH 3 -0.589 0.168 3.865
20 HB2 ALA 3 2HB AZH 3 -2.158 -0.329 4.476
21 H THR 4 H THR 4 0.046 -0.670 0.727
22 HA THR 4 HA THR 4 0.633 -3.439 1.279
23 HB THR 4 HB THR 4 2.323 -3.147 -0.590
24 HG1 THR 4 1HG THR 4 2.547 -1.311 -1.525
25 HG21 THR 4 1HG2 THR 4 0.634 -3.073 -2.376
26 HG22 THR 4 2HG2 THR 4 -0.548 -2.442 -1.228
27 HG23 THR 4 3HG2 THR 4 0.094 -4.072 -1.025
28 H LYS 5 H LYS 5 2.664 -4.165 1.976
29 HA LYS 5 HA LYS 5 3.886 -2.263 3.761
30 HB2 LYS 5 2HB LYS 5 5.046 -4.140 4.783
31 HB3 LYS 5 1HB LYS 5 3.329 -4.463 4.667
32 HG2 LYS 5 2HG LYS 5 3.759 -5.893 2.702
33 HG3 LYS 5 1HG LYS 5 5.487 -5.594 2.895
34 HD2 LYS 5 2HD LYS 5 3.687 -6.894 4.947
35 HD3 LYS 5 1HD LYS 5 4.777 -7.756 3.874
36 HE2 LYS 5 2HE LYS 5 5.586 -5.752 5.998
37 HE3 LYS 5 1HE LYS 5 5.718 -7.495 6.124
38 HZ1 LYS 5 1HZ LYS 5 7.179 -5.826 4.137
39 HZ2 LYS 5 2HZ LYS 5 7.341 -7.494 4.332
40 HZ3 LYS 5 3HZ LYS 5 7.827 -6.454 5.545
41 H SER 6 H SER 6 4.598 -3.734 0.732
42 HA SER 6 HA SER 6 7.388 -3.189 0.818
43 HB2 SER 6 2HB SER 6 6.973 -3.687 -1.722
44 HB3 SER 6 1HB SER 6 6.844 -4.994 -0.545
45 HG SER 6 HG SER 6 4.989 -4.101 -2.218
46 H ILE 7 H ILE 7 8.434 -1.482 -0.242
47 HA ILE 7 HA ILE 7 6.802 0.883 -0.566
48 HB ILE 7 HB ILE 7 8.958 2.101 -0.865
49 HG12 ILE 7 2HG1 ILE 7 10.214 -0.612 -0.338
50 HG13 ILE 7 1HG1 ILE 7 10.294 0.284 -1.847
51 HG21 ILE 7 1HG2 ILE 7 7.974 1.927 1.337
52 HG22 ILE 7 2HG2 ILE 7 9.732 1.843 1.452
53 HG23 ILE 7 3HG2 ILE 7 8.769 0.374 1.588
54 HD11 ILE 7 1HD1 ILE 7 11.497 1.118 0.784
55 HD12 ILE 7 2HD1 ILE 7 11.576 2.044 -0.713
56 HD13 ILE 7 3HD1 ILE 7 12.370 0.472 -0.607
57 HA PRO 8 HA PRO 8 6.790 2.870 -1.569
58 HB2 PRO 8 2HB PRO 8 4.888 3.491 -3.705
59 HB3 PRO 8 1HB PRO 8 6.232 4.467 -3.115
60 HG2 PRO 8 2HG PRO 8 6.256 3.324 -5.550
61 HG3 PRO 8 1HG PRO 8 7.730 3.538 -4.587
62 HD2 PRO 8 2HD PRO 8 6.036 1.081 -4.923
63 HD3 PRO 8 1HD PRO 8 7.806 1.239 -4.989
64 HA PRO 9 HA PRO 9 3.217 0.580 -0.076
65 HB2 PRO 9 2HB PRO 9 2.720 2.942 1.617
66 HB3 PRO 9 1HB PRO 9 3.051 1.277 2.104
67 HG2 PRO 9 2HG PRO 9 4.875 3.201 2.450
68 HG3 PRO 9 1HG PRO 9 5.345 1.556 1.982
69 HD2 PRO 9 2HD PRO 9 5.056 3.995 0.275
70 HD3 PRO 9 1HD PRO 9 6.352 2.773 0.295
71 H ARG 10 H ARG 10 1.441 0.496 -1.190
72 HA ARG 10 HA ARG 10 0.198 2.941 -2.203
73 HB2 ARG 10 2HB ARG 10 -0.363 0.053 -2.913
74 HB3 ARG 10 1HB ARG 10 -1.006 1.471 -3.725
75 HG2 ARG 10 2HG ARG 10 1.877 0.610 -3.665
76 HG3 ARG 10 1HG ARG 10 0.767 0.448 -5.024
77 HD2 ARG 10 2HD ARG 10 0.577 2.873 -5.175
78 HD3 ARG 10 1HD ARG 10 1.629 3.054 -3.769
79 HE ARG 10 HE ARG 10 2.977 1.509 -5.588
80 HH11 ARG 10 1HH1 ARG 10 1.782 4.832 -5.462
81 HH12 ARG 10 2HH1 ARG 10 2.983 5.439 -6.507
82 HH21 ARG 10 1HH2 ARG 10 4.581 2.323 -6.974
83 HH22 ARG 10 2HH2 ARG 10 4.619 3.981 -7.401
84 H ALA 11 H PRG 11 -1.712 3.568 -1.352
85 HA ALA 11 HA PRG 11 -2.992 1.622 0.378
86 HB1 ALA 11 1HB PRG 11 -3.547 3.250 2.043
87 HB2 ALA 11 2HB PRG 11 -2.868 4.570 1.146
88 H PHE 12 H PHE 12 -5.068 1.656 0.517
89 HA PHE 12 HA PHE 12 -6.507 3.200 -1.508
90 HB2 PHE 12 2HB PHE 12 -7.002 0.316 -0.655
91 HB3 PHE 12 1HB PHE 12 -7.872 1.196 -1.896
92 HD1 PHE 12 1HD PHE 12 -7.040 1.373 -4.108
93 HD2 PHE 12 2HD PHE 12 -4.605 -0.359 -1.087
94 HE1 PHE 12 1HE PHE 12 -5.480 0.580 -5.830
95 HE2 PHE 12 2HE PHE 12 -3.035 -1.160 -2.797
96 HZ PHE 12 HZ PHE 12 -3.467 -0.690 -5.180
97 HA PRO 13 HA PRO 13 -8.771 4.792 1.998
98 HB2 PRO 13 2HB PRO 13 -11.133 4.557 0.191
99 HB3 PRO 13 1HB PRO 13 -10.589 5.935 1.158
100 HG2 PRO 13 2HG PRO 13 -10.102 5.956 -1.415
101 HG3 PRO 13 1HG PRO 13 -8.809 6.405 -0.289
102 HD2 PRO 13 2HD PRO 13 -9.219 3.822 -1.748
103 HD3 PRO 13 1HD PRO 13 -7.728 4.760 -1.507
104 H ASP 14 H ASP 14 -9.846 1.818 0.540
105 HA ASP 14 HA ASP 14 -11.845 1.181 2.483
106 HB2 ASP 14 2HB ASP 14 -11.789 -1.088 1.656
107 HB3 ASP 14 1HB ASP 14 -11.675 -0.002 0.279
108 H1 WMH 101 1HG AZH 3 -2.429 2.037 4.580
109 H2 WMH 101 2HG AZH 3 -2.999 1.631 3.003
110 H5 WMH 101 HD PRG 11 -0.184 4.746 0.987
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.435 0.889 2.475
2 HA2 GLY 1 2HA GLY 1 -7.656 0.441 4.778
3 HA3 GLY 1 1HA GLY 1 -8.446 -1.123 4.624
4 H ARG 2 H ARG 2 -7.412 -0.862 1.640
5 HA ARG 2 HA ARG 2 -5.217 -2.553 2.032
6 HB2 ARG 2 2HB ARG 2 -6.280 -1.154 -0.392
7 HB3 ARG 2 1HB ARG 2 -4.746 -2.003 -0.458
8 HG2 ARG 2 2HG ARG 2 -7.332 -3.280 0.395
9 HG3 ARG 2 1HG ARG 2 -6.741 -3.282 -1.262
10 HD2 ARG 2 2HD ARG 2 -6.146 -5.384 -0.187
11 HD3 ARG 2 1HD ARG 2 -4.696 -4.450 -0.525
12 HE ARG 2 HE ARG 2 -5.936 -4.497 2.144
13 HH11 ARG 2 1HH1 ARG 2 -3.047 -4.938 0.110
14 HH12 ARG 2 2HH1 ARG 2 -1.987 -5.214 1.381
15 HH21 ARG 2 1HH2 ARG 2 -4.489 -4.869 3.919
16 HH22 ARG 2 2HH2 ARG 2 -2.831 -5.170 3.657
17 H ALA 3 H AZH 3 -3.254 -2.245 2.411
18 HA ALA 3 HA AZH 3 -1.861 0.114 1.571
19 HB1 ALA 3 1HB AZH 3 -0.767 -0.114 4.021
20 HB2 ALA 3 2HB AZH 3 -2.404 -0.621 4.408
21 H THR 4 H THR 4 0.079 -0.417 0.850
22 HA THR 4 HA THR 4 0.879 -3.162 1.092
23 HB THR 4 HB THR 4 2.742 -2.405 -0.441
24 HG1 THR 4 1HG THR 4 2.850 -0.357 -1.047
25 HG21 THR 4 1HG2 THR 4 -0.071 -1.831 -1.366
26 HG22 THR 4 2HG2 THR 4 0.685 -3.422 -1.324
27 HG23 THR 4 3HG2 THR 4 1.300 -2.180 -2.417
28 H LYS 5 H LYS 5 2.596 -3.830 2.236
29 HA LYS 5 HA LYS 5 3.850 -1.836 3.965
30 HB2 LYS 5 2HB LYS 5 3.755 -4.848 4.190
31 HB3 LYS 5 1HB LYS 5 4.517 -3.766 5.353
32 HG2 LYS 5 2HG LYS 5 2.383 -2.746 5.863
33 HG3 LYS 5 1HG LYS 5 1.590 -3.718 4.632
34 HD2 LYS 5 2HD LYS 5 1.075 -4.781 6.658
35 HD3 LYS 5 1HD LYS 5 2.371 -5.746 5.973
36 HE2 LYS 5 2HE LYS 5 2.671 -3.652 8.124
37 HE3 LYS 5 1HE LYS 5 2.607 -5.383 8.397
38 HZ1 LYS 5 1HZ LYS 5 4.849 -4.711 8.475
39 HZ2 LYS 5 2HZ LYS 5 4.783 -3.842 7.067
40 HZ3 LYS 5 3HZ LYS 5 4.700 -5.534 7.017
41 H SER 6 H SER 6 4.365 -2.838 1.113
42 HA SER 6 HA SER 6 7.258 -3.114 1.352
43 HB2 SER 6 2HB SER 6 7.007 -4.173 -0.947
44 HB3 SER 6 1HB SER 6 6.372 -5.120 0.404
45 HG SER 6 HG SER 6 5.072 -4.007 -1.727
46 H ILE 7 H ILE 7 8.232 -2.253 -0.866
47 HA ILE 7 HA ILE 7 7.241 0.431 -1.098
48 HB ILE 7 HB ILE 7 9.237 0.850 -2.537
49 HG12 ILE 7 2HG1 ILE 7 9.918 -2.049 -1.922
50 HG13 ILE 7 1HG1 ILE 7 9.471 -1.420 -3.500
51 HG21 ILE 7 1HG2 ILE 7 9.774 -0.459 0.120
52 HG22 ILE 7 2HG2 ILE 7 9.367 1.237 -0.158
53 HG23 ILE 7 3HG2 ILE 7 10.900 0.586 -0.740
54 HD11 ILE 7 1HD1 ILE 7 11.491 -0.040 -3.505
55 HD12 ILE 7 2HD1 ILE 7 11.863 -1.755 -3.338
56 HD13 ILE 7 3HD1 ILE 7 11.936 -0.694 -1.930
57 HA PRO 8 HA PRO 8 6.916 2.028 -2.155
58 HB2 PRO 8 2HB PRO 8 4.878 3.335 -3.591
59 HB3 PRO 8 1HB PRO 8 6.608 3.439 -3.916
60 HG2 PRO 8 2HG PRO 8 4.659 2.267 -5.585
61 HG3 PRO 8 1HG PRO 8 6.413 2.131 -5.759
62 HD2 PRO 8 2HD PRO 8 4.471 0.223 -4.553
63 HD3 PRO 8 1HD PRO 8 5.977 -0.103 -5.435
64 HA PRO 9 HA PRO 9 3.346 1.577 0.569
65 HB2 PRO 9 2HB PRO 9 3.465 4.482 1.092
66 HB3 PRO 9 1HB PRO 9 3.678 3.144 2.223
67 HG2 PRO 9 2HG PRO 9 5.747 4.665 1.448
68 HG3 PRO 9 1HG PRO 9 5.928 2.929 1.751
69 HD2 PRO 9 2HD PRO 9 5.690 4.382 -0.859
70 HD3 PRO 9 1HD PRO 9 6.751 3.029 -0.406
71 H ARG 10 H ARG 10 1.670 1.215 -0.750
72 HA ARG 10 HA ARG 10 0.313 3.489 -2.015
73 HB2 ARG 10 2HB ARG 10 1.235 1.865 -3.602
74 HB3 ARG 10 1HB ARG 10 0.431 0.559 -2.755
75 HG2 ARG 10 2HG ARG 10 -1.740 1.500 -3.384
76 HG3 ARG 10 1HG ARG 10 -0.909 2.792 -4.257
77 HD2 ARG 10 2HD ARG 10 -1.610 1.005 -5.774
78 HD3 ARG 10 1HD ARG 10 0.144 1.152 -5.713
79 HE ARG 10 HE ARG 10 -0.877 -0.797 -3.879
80 HH11 ARG 10 1HH1 ARG 10 -0.064 -0.327 -7.293
81 HH12 ARG 10 2HH1 ARG 10 0.347 -1.961 -7.550
82 HH21 ARG 10 1HH2 ARG 10 -0.312 -3.057 -4.266
83 HH22 ARG 10 2HH2 ARG 10 0.237 -3.512 -5.812
84 H ALA 11 H PRG 11 -1.499 3.986 -0.907
85 HA ALA 11 HA PRG 11 -2.860 1.771 0.409
86 HB1 ALA 11 1HB PRG 11 -3.482 3.170 2.261
87 HB2 ALA 11 2HB PRG 11 -2.708 4.571 1.592
88 H PHE 12 H PHE 12 -5.028 1.904 0.645
89 HA PHE 12 HA PHE 12 -6.458 3.769 -1.106
90 HB2 PHE 12 2HB PHE 12 -6.882 0.774 -0.869
91 HB3 PHE 12 1HB PHE 12 -7.908 1.860 -1.784
92 HD1 PHE 12 1HD PHE 12 -7.158 2.785 -3.902
93 HD2 PHE 12 2HD PHE 12 -4.703 0.111 -1.686
94 HE1 PHE 12 1HE PHE 12 -5.757 2.418 -5.891
95 HE2 PHE 12 2HE PHE 12 -3.305 -0.250 -3.658
96 HZ PHE 12 HZ PHE 12 -3.831 0.902 -5.775
97 HA PRO 13 HA PRO 13 -8.980 4.484 2.428
98 HB2 PRO 13 2HB PRO 13 -11.448 4.863 1.355
99 HB3 PRO 13 1HB PRO 13 -10.133 6.036 1.209
100 HG2 PRO 13 2HG PRO 13 -11.028 3.950 -0.750
101 HG3 PRO 13 1HG PRO 13 -10.645 5.658 -1.041
102 HD2 PRO 13 2HD PRO 13 -8.877 3.733 -1.601
103 HD3 PRO 13 1HD PRO 13 -8.353 5.289 -0.929
104 H ASP 14 H ASP 14 -9.526 1.640 0.639
105 HA ASP 14 HA ASP 14 -11.770 0.723 2.237
106 HB2 ASP 14 2HB ASP 14 -11.753 -1.261 0.920
107 HB3 ASP 14 1HB ASP 14 -11.344 0.028 -0.198
108 H1 WMH 101 1HG AZH 3 -2.524 1.730 4.781
109 H2 WMH 101 2HG AZH 3 -3.097 1.501 3.157
110 H5 WMH 101 HD PRG 11 0.075 4.489 1.438
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -8.648 0.918 2.643
2 HA2 GLY 1 2HA GLY 1 -8.093 -0.090 4.841
3 HA3 GLY 1 1HA GLY 1 -9.116 -1.426 4.370
4 H ARG 2 H ARG 2 -6.748 0.095 2.241
5 HA ARG 2 HA ARG 2 -5.217 -2.402 2.423
6 HB2 ARG 2 2HB ARG 2 -5.864 -0.855 -0.073
7 HB3 ARG 2 1HB ARG 2 -4.766 -2.220 0.003
8 HG2 ARG 2 2HG ARG 2 -6.562 -3.707 0.563
9 HG3 ARG 2 1HG ARG 2 -7.689 -2.356 0.693
10 HD2 ARG 2 2HD ARG 2 -7.966 -3.481 -1.448
11 HD3 ARG 2 1HD ARG 2 -7.347 -1.846 -1.664
12 HE ARG 2 HE ARG 2 -5.334 -3.906 -1.570
13 HH11 ARG 2 1HH1 ARG 2 -7.430 -1.981 -3.641
14 HH12 ARG 2 2HH1 ARG 2 -6.536 -2.273 -5.060
15 HH21 ARG 2 1HH2 ARG 2 -4.123 -4.316 -3.506
16 HH22 ARG 2 2HH2 ARG 2 -4.611 -3.651 -4.996
17 H ALA 3 H AZH 3 -3.086 -2.143 2.636
18 HA ALA 3 HA AZH 3 -1.711 0.166 1.630
19 HB1 ALA 3 1HB AZH 3 -0.476 0.145 4.014
20 HB2 ALA 3 2HB AZH 3 -2.072 -0.339 4.556
21 H THR 4 H THR 4 0.246 -0.417 0.897
22 HA THR 4 HA THR 4 0.918 -3.191 1.258
23 HB THR 4 HB THR 4 2.669 -2.717 -0.459
24 HG1 THR 4 1HG THR 4 3.148 -0.671 -0.447
25 HG21 THR 4 1HG2 THR 4 0.465 -3.535 -1.134
26 HG22 THR 4 2HG2 THR 4 1.102 -2.410 -2.330
27 HG23 THR 4 3HG2 THR 4 -0.140 -1.881 -1.197
28 H LYS 5 H LYS 5 2.429 -3.891 2.612
29 HA LYS 5 HA LYS 5 4.034 -2.077 4.139
30 HB2 LYS 5 2HB LYS 5 5.029 -4.066 5.136
31 HB3 LYS 5 1HB LYS 5 3.280 -4.232 5.098
32 HG2 LYS 5 2HG LYS 5 3.410 -5.733 3.209
33 HG3 LYS 5 1HG LYS 5 5.146 -5.474 3.081
34 HD2 LYS 5 2HD LYS 5 3.720 -6.761 5.413
35 HD3 LYS 5 1HD LYS 5 4.613 -7.619 4.159
36 HE2 LYS 5 2HE LYS 5 6.669 -6.385 4.840
37 HE3 LYS 5 1HE LYS 5 5.751 -5.641 6.141
38 HZ1 LYS 5 1HZ LYS 5 6.310 -8.544 5.851
39 HZ2 LYS 5 2HZ LYS 5 5.333 -7.864 7.033
40 HZ3 LYS 5 3HZ LYS 5 6.968 -7.501 6.993
41 H SER 6 H SER 6 4.217 -3.303 1.093
42 HA SER 6 HA SER 6 7.080 -3.337 0.856
43 HB2 SER 6 2HB SER 6 6.385 -3.954 -1.519
44 HB3 SER 6 1HB SER 6 5.963 -5.114 -0.253
45 HG SER 6 HG SER 6 3.968 -4.850 -0.779
46 H ILE 7 H ILE 7 8.125 -1.815 -0.473
47 HA ILE 7 HA ILE 7 6.669 0.658 -0.876
48 HB ILE 7 HB ILE 7 8.892 1.657 -1.401
49 HG12 ILE 7 2HG1 ILE 7 10.017 -1.039 -0.595
50 HG13 ILE 7 1HG1 ILE 7 9.978 -0.431 -2.245
51 HG21 ILE 7 1HG2 ILE 7 8.036 1.771 0.858
52 HG22 ILE 7 2HG2 ILE 7 9.786 1.567 0.889
53 HG23 ILE 7 3HG2 ILE 7 8.734 0.195 1.229
54 HD11 ILE 7 1HD1 ILE 7 11.492 0.770 0.065
55 HD12 ILE 7 2HD1 ILE 7 11.460 1.404 -1.582
56 HD13 ILE 7 3HD1 ILE 7 12.179 -0.173 -1.257
57 HA PRO 8 HA PRO 8 6.872 2.531 -2.169
58 HB2 PRO 8 2HB PRO 8 4.979 3.544 -3.800
59 HB3 PRO 8 1HB PRO 8 6.697 3.579 -4.213
60 HG2 PRO 8 2HG PRO 8 4.573 1.671 -5.115
61 HG3 PRO 8 1HG PRO 8 5.838 2.459 -6.074
62 HD2 PRO 8 2HD PRO 8 6.038 -0.096 -5.184
63 HD3 PRO 8 1HD PRO 8 7.449 0.953 -5.411
64 HA PRO 9 HA PRO 9 3.303 1.211 0.193
65 HB2 PRO 9 2HB PRO 9 3.146 4.015 1.107
66 HB3 PRO 9 1HB PRO 9 3.401 2.548 2.054
67 HG2 PRO 9 2HG PRO 9 5.378 4.301 1.642
68 HG3 PRO 9 1HG PRO 9 5.685 2.552 1.686
69 HD2 PRO 9 2HD PRO 9 5.438 4.375 -0.676
70 HD3 PRO 9 1HD PRO 9 6.596 3.061 -0.355
71 H ARG 10 H ARG 10 1.644 0.876 -1.120
72 HA ARG 10 HA ARG 10 0.219 3.158 -2.275
73 HB2 ARG 10 2HB ARG 10 -0.028 0.208 -2.872
74 HB3 ARG 10 1HB ARG 10 -0.833 1.512 -3.735
75 HG2 ARG 10 2HG ARG 10 1.312 2.347 -4.505
76 HG3 ARG 10 1HG ARG 10 2.139 1.074 -3.609
77 HD2 ARG 10 2HD ARG 10 0.220 0.716 -5.898
78 HD3 ARG 10 1HD ARG 10 1.968 0.471 -5.930
79 HE ARG 10 HE ARG 10 0.174 -1.133 -4.243
80 HH11 ARG 10 1HH1 ARG 10 2.794 -0.979 -6.628
81 HH12 ARG 10 2HH1 ARG 10 3.045 -2.665 -6.628
82 HH21 ARG 10 1HH2 ARG 10 0.513 -3.388 -4.283
83 HH22 ARG 10 2HH2 ARG 10 1.728 -4.083 -5.255
84 H ALA 11 H PRG 11 -1.483 3.791 -1.097
85 HA ALA 11 HA PRG 11 -2.795 1.719 0.468
86 HB1 ALA 11 1HB PRG 11 -3.334 3.282 2.195
87 HB2 ALA 11 2HB PRG 11 -2.635 4.630 1.353
88 H PHE 12 H PHE 12 -4.923 1.827 0.714
89 HA PHE 12 HA PHE 12 -6.372 3.586 -1.097
90 HB2 PHE 12 2HB PHE 12 -6.827 0.588 -0.850
91 HB3 PHE 12 1HB PHE 12 -7.754 1.694 -1.833
92 HD1 PHE 12 1HD PHE 12 -6.815 2.665 -3.871
93 HD2 PHE 12 2HD PHE 12 -4.638 -0.197 -1.599
94 HE1 PHE 12 1HE PHE 12 -5.297 2.306 -5.772
95 HE2 PHE 12 2HE PHE 12 -3.125 -0.557 -3.484
96 HZ PHE 12 HZ PHE 12 -3.448 0.692 -5.583
97 HA PRO 13 HA PRO 13 -8.594 4.449 2.579
98 HB2 PRO 13 2HB PRO 13 -10.945 5.324 1.543
99 HB3 PRO 13 1HB PRO 13 -9.446 6.259 1.466
100 HG2 PRO 13 2HG PRO 13 -10.665 4.478 -0.619
101 HG3 PRO 13 1HG PRO 13 -10.007 6.114 -0.808
102 HD2 PRO 13 2HD PRO 13 -8.571 3.980 -1.494
103 HD3 PRO 13 1HD PRO 13 -7.809 5.376 -0.707
104 H ASP 14 H ASP 14 -9.549 1.878 0.640
105 HA ASP 14 HA ASP 14 -11.879 1.227 2.238
106 HB2 ASP 14 2HB ASP 14 -12.159 -0.696 0.729
107 HB3 ASP 14 1HB ASP 14 -12.025 0.809 -0.167
108 H1 WMH 101 1HG AZH 3 -2.225 2.042 4.736
109 H2 WMH 101 2HG AZH 3 -2.855 1.681 3.164
110 H5 WMH 101 HD PRG 11 0.087 4.682 1.128
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.724 0.957 2.475
2 HA2 GLY 1 2HA GLY 1 -8.201 0.453 4.728
3 HA3 GLY 1 1HA GLY 1 -9.391 -0.831 4.698
4 H ARG 2 H ARG 2 -6.610 -0.006 2.681
5 HA ARG 2 HA ARG 2 -5.167 -2.281 3.620
6 HB2 ARG 2 2HB ARG 2 -4.824 -3.230 1.325
7 HB3 ARG 2 1HB ARG 2 -6.461 -3.412 1.934
8 HG2 ARG 2 2HG ARG 2 -7.112 -1.425 0.618
9 HG3 ARG 2 1HG ARG 2 -5.473 -1.409 -0.044
10 HD2 ARG 2 2HD ARG 2 -7.389 -3.714 -0.275
11 HD3 ARG 2 1HD ARG 2 -7.144 -2.490 -1.512
12 HE ARG 2 HE ARG 2 -4.748 -3.815 -0.674
13 HH11 ARG 2 1HH1 ARG 2 -7.495 -3.873 -2.908
14 HH12 ARG 2 2HH1 ARG 2 -6.732 -4.921 -4.018
15 HH21 ARG 2 1HH2 ARG 2 -3.716 -5.220 -2.182
16 HH22 ARG 2 2HH2 ARG 2 -4.508 -5.680 -3.623
17 H ALA 3 H AZH 3 -2.998 -2.156 3.199
18 HA ALA 3 HA AZH 3 -1.934 0.167 1.785
19 HB1 ALA 3 1HB AZH 3 -0.386 0.250 3.959
20 HB2 ALA 3 2HB AZH 3 -1.851 -0.357 4.711
21 H THR 4 H THR 4 -0.077 -0.357 0.726
22 HA THR 4 HA THR 4 0.901 -3.022 1.122
23 HB THR 4 HB THR 4 2.459 -2.474 -0.749
24 HG1 THR 4 1HG THR 4 2.742 -0.457 -1.293
25 HG21 THR 4 1HG2 THR 4 -0.444 -1.840 -1.306
26 HG22 THR 4 2HG2 THR 4 0.281 -3.448 -1.274
27 HG23 THR 4 3HG2 THR 4 0.749 -2.294 -2.520
28 H LYS 5 H LYS 5 2.496 -3.512 2.432
29 HA LYS 5 HA LYS 5 4.059 -1.395 3.641
30 HB2 LYS 5 2HB LYS 5 4.153 -4.398 4.024
31 HB3 LYS 5 1HB LYS 5 5.119 -3.249 4.932
32 HG2 LYS 5 2HG LYS 5 2.108 -3.403 4.946
33 HG3 LYS 5 1HG LYS 5 3.175 -4.027 6.201
34 HD2 LYS 5 2HD LYS 5 4.041 -1.711 6.524
35 HD3 LYS 5 1HD LYS 5 2.832 -1.141 5.376
36 HE2 LYS 5 2HE LYS 5 2.037 -0.800 7.640
37 HE3 LYS 5 1HE LYS 5 1.053 -2.020 6.840
38 HZ1 LYS 5 1HZ LYS 5 1.573 -2.705 9.072
39 HZ2 LYS 5 2HZ LYS 5 3.219 -2.527 8.827
40 HZ3 LYS 5 3HZ LYS 5 2.370 -3.738 8.022
41 H SER 6 H SER 6 4.161 -3.510 1.055
42 HA SER 6 HA SER 6 6.953 -3.596 0.568
43 HB2 SER 6 2HB SER 6 6.137 -4.361 -1.679
44 HB3 SER 6 1HB SER 6 5.458 -5.281 -0.334
45 HG SER 6 HG SER 6 4.223 -3.087 -1.602
46 H ILE 7 H ILE 7 8.047 -2.219 -0.823
47 HA ILE 7 HA ILE 7 6.910 0.397 -1.064
48 HB ILE 7 HB ILE 7 9.083 1.044 -2.116
49 HG12 ILE 7 2HG1 ILE 7 9.904 -1.817 -1.536
50 HG13 ILE 7 1HG1 ILE 7 9.561 -1.197 -3.146
51 HG21 ILE 7 1HG2 ILE 7 10.437 0.734 -0.081
52 HG22 ILE 7 2HG2 ILE 7 9.266 -0.452 0.497
53 HG23 ILE 7 3HG2 ILE 7 8.783 1.229 0.281
54 HD11 ILE 7 1HD1 ILE 7 11.954 -1.317 -2.697
55 HD12 ILE 7 2HD1 ILE 7 11.745 -0.236 -1.313
56 HD13 ILE 7 3HD1 ILE 7 11.433 0.348 -2.944
57 HA PRO 8 HA PRO 8 6.912 2.169 -2.181
58 HB2 PRO 8 2HB PRO 8 4.782 3.326 -3.719
59 HB3 PRO 8 1HB PRO 8 6.500 3.722 -3.777
60 HG2 PRO 8 2HG PRO 8 5.102 2.518 -5.838
61 HG3 PRO 8 1HG PRO 8 6.858 2.426 -5.619
62 HD2 PRO 8 2HD PRO 8 4.743 0.441 -4.873
63 HD3 PRO 8 1HD PRO 8 6.349 0.152 -5.569
64 HA PRO 9 HA PRO 9 3.387 1.136 0.414
65 HB2 PRO 9 2HB PRO 9 3.735 3.830 1.589
66 HB3 PRO 9 1HB PRO 9 3.819 2.252 2.379
67 HG2 PRO 9 2HG PRO 9 6.028 3.698 1.963
68 HG3 PRO 9 1HG PRO 9 6.038 1.932 1.804
69 HD2 PRO 9 2HD PRO 9 5.927 4.023 -0.341
70 HD3 PRO 9 1HD PRO 9 6.877 2.522 -0.261
71 H ARG 10 H ARG 10 1.653 1.188 -0.870
72 HA ARG 10 HA ARG 10 0.456 3.767 -1.520
73 HB2 ARG 10 2HB ARG 10 0.104 1.058 -2.804
74 HB3 ARG 10 1HB ARG 10 -0.808 2.493 -3.238
75 HG2 ARG 10 2HG ARG 10 1.251 3.584 -3.960
76 HG3 ARG 10 1HG ARG 10 2.169 2.145 -3.511
77 HD2 ARG 10 2HD ARG 10 1.700 2.213 -5.904
78 HD3 ARG 10 1HD ARG 10 0.934 0.824 -5.131
79 HE ARG 10 HE ARG 10 -0.754 3.130 -5.325
80 HH11 ARG 10 1HH1 ARG 10 0.363 0.268 -7.060
81 HH12 ARG 10 2HH1 ARG 10 -1.010 0.164 -8.062
82 HH21 ARG 10 1HH2 ARG 10 -2.662 2.993 -6.733
83 HH22 ARG 10 2HH2 ARG 10 -2.733 1.739 -7.894
84 H ALA 11 H PRG 11 -1.472 4.167 -0.631
85 HA ALA 11 HA PRG 11 -2.657 1.921 0.765
86 HB1 ALA 11 1HB PRG 11 -3.438 3.371 2.535
87 HB2 ALA 11 2HB PRG 11 -2.769 4.786 1.774
88 H PHE 12 H PHE 12 -4.657 1.546 0.611
89 HA PHE 12 HA PHE 12 -6.120 3.166 -1.325
90 HB2 PHE 12 2HB PHE 12 -6.410 0.227 -0.670
91 HB3 PHE 12 1HB PHE 12 -7.325 1.101 -1.878
92 HD1 PHE 12 1HD PHE 12 -4.073 -0.408 -1.082
93 HD2 PHE 12 2HD PHE 12 -6.336 1.725 -3.997
94 HE1 PHE 12 1HE PHE 12 -2.394 -0.956 -2.780
95 HE2 PHE 12 2HE PHE 12 -4.645 1.179 -5.695
96 HZ PHE 12 HZ PHE 12 -2.676 -0.161 -5.089
97 HA PRO 13 HA PRO 13 -8.646 4.261 2.130
98 HB2 PRO 13 2HB PRO 13 -10.857 5.088 0.759
99 HB3 PRO 13 1HB PRO 13 -9.376 6.039 0.908
100 HG2 PRO 13 2HG PRO 13 -10.264 4.266 -1.335
101 HG3 PRO 13 1HG PRO 13 -9.567 5.895 -1.408
102 HD2 PRO 13 2HD PRO 13 -8.082 3.737 -1.886
103 HD3 PRO 13 1HD PRO 13 -7.417 5.126 -0.998
104 H ASP 14 H ASP 14 -9.313 1.573 0.247
105 HA ASP 14 HA ASP 14 -11.831 0.985 1.544
106 HB2 ASP 14 2HB ASP 14 -11.879 -1.071 0.269
107 HB3 ASP 14 1HB ASP 14 -11.419 0.240 -0.796
108 H1 WMH 101 1HG AZH 3 -2.396 1.904 4.899
109 H2 WMH 101 2HG AZH 3 -2.842 1.627 3.253
110 H5 WMH 101 HD PRG 11 -0.055 5.041 1.763
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.543 1.015 2.712
2 HA2 GLY 1 2HA GLY 1 -7.696 0.295 4.807
3 HA3 GLY 1 1HA GLY 1 -8.697 -1.150 4.691
4 H ARG 2 H ARG 2 -6.972 -0.101 1.950
5 HA ARG 2 HA ARG 2 -5.278 -2.476 2.165
6 HB2 ARG 2 2HB ARG 2 -6.755 -2.176 0.163
7 HB3 ARG 2 1HB ARG 2 -5.855 -0.726 -0.216
8 HG2 ARG 2 2HG ARG 2 -5.127 -2.541 -1.636
9 HG3 ARG 2 1HG ARG 2 -3.825 -2.072 -0.548
10 HD2 ARG 2 2HD ARG 2 -5.670 -4.337 0.151
11 HD3 ARG 2 1HD ARG 2 -4.320 -4.591 -0.944
12 HE ARG 2 HE ARG 2 -2.868 -3.828 0.862
13 HH11 ARG 2 1HH1 ARG 2 -6.101 -4.954 1.865
14 HH12 ARG 2 2HH1 ARG 2 -5.557 -5.573 3.346
15 HH21 ARG 2 1HH2 ARG 2 -2.157 -4.715 2.899
16 HH22 ARG 2 2HH2 ARG 2 -3.292 -5.457 3.924
17 H ALA 3 H AZH 3 -3.248 -2.206 2.627
18 HA ALA 3 HA AZH 3 -1.777 0.104 1.717
19 HB1 ALA 3 1HB AZH 3 -0.596 -0.182 4.106
20 HB2 ALA 3 2HB AZH 3 -2.227 -0.652 4.563
21 H THR 4 H THR 4 0.167 -0.414 0.962
22 HA THR 4 HA THR 4 0.850 -3.191 1.076
23 HB THR 4 HB THR 4 2.599 -2.554 -0.601
24 HG1 THR 4 1HG THR 4 3.076 -0.560 -0.739
25 HG21 THR 4 1HG2 THR 4 -0.203 -1.639 -1.271
26 HG22 THR 4 2HG2 THR 4 0.380 -3.301 -1.338
27 HG23 THR 4 3HG2 THR 4 1.039 -2.093 -2.439
28 H LYS 5 H LYS 5 2.339 -3.977 2.380
29 HA LYS 5 HA LYS 5 3.682 -2.326 4.258
30 HB2 LYS 5 2HB LYS 5 4.727 -4.356 5.064
31 HB3 LYS 5 1HB LYS 5 3.010 -4.628 4.806
32 HG2 LYS 5 2HG LYS 5 3.465 -5.850 2.774
33 HG3 LYS 5 1HG LYS 5 5.180 -5.460 2.887
34 HD2 LYS 5 2HD LYS 5 3.618 -7.117 4.875
35 HD3 LYS 5 1HD LYS 5 4.699 -7.753 3.639
36 HE2 LYS 5 2HE LYS 5 5.505 -5.951 5.943
37 HE3 LYS 5 1HE LYS 5 5.803 -7.674 5.820
38 HZ1 LYS 5 1HZ LYS 5 6.919 -5.653 3.931
39 HZ2 LYS 5 2HZ LYS 5 7.236 -7.305 3.942
40 HZ3 LYS 5 3HZ LYS 5 7.721 -6.338 5.237
41 H SER 6 H SER 6 4.424 -3.475 1.116
42 HA SER 6 HA SER 6 7.210 -2.777 1.449
43 HB2 SER 6 2HB SER 6 7.390 -3.971 -0.786
44 HB3 SER 6 1HB SER 6 6.982 -4.973 0.611
45 HG SER 6 HG SER 6 5.377 -5.559 -0.540
46 H ILE 7 H ILE 7 8.170 -1.502 -0.209
47 HA ILE 7 HA ILE 7 6.504 0.656 -1.024
48 HB ILE 7 HB ILE 7 8.570 1.639 -1.955
49 HG12 ILE 7 2HG1 ILE 7 9.897 -0.960 -1.132
50 HG13 ILE 7 1HG1 ILE 7 9.615 -0.444 -2.788
51 HG21 ILE 7 1HG2 ILE 7 8.928 0.444 0.790
52 HG22 ILE 7 2HG2 ILE 7 8.123 1.965 0.406
53 HG23 ILE 7 3HG2 ILE 7 9.857 1.793 0.140
54 HD11 ILE 7 1HD1 ILE 7 11.911 -0.067 -2.173
55 HD12 ILE 7 2HD1 ILE 7 11.412 0.883 -0.774
56 HD13 ILE 7 3HD1 ILE 7 11.100 1.486 -2.401
57 HA PRO 8 HA PRO 8 6.607 2.304 -2.731
58 HB2 PRO 8 2HB PRO 8 4.282 2.477 -4.498
59 HB3 PRO 8 1HB PRO 8 5.800 3.372 -4.579
60 HG2 PRO 8 2HG PRO 8 5.123 1.493 -6.405
61 HG3 PRO 8 1HG PRO 8 6.802 1.811 -5.938
62 HD2 PRO 8 2HD PRO 8 4.965 -0.378 -5.040
63 HD3 PRO 8 1HD PRO 8 6.683 -0.465 -5.483
64 HA PRO 9 HA PRO 9 3.312 1.198 0.107
65 HB2 PRO 9 2HB PRO 9 3.591 3.853 1.283
66 HB3 PRO 9 1HB PRO 9 3.975 2.284 1.996
67 HG2 PRO 9 2HG PRO 9 5.888 4.076 1.310
68 HG3 PRO 9 1HG PRO 9 6.145 2.325 1.252
69 HD2 PRO 9 2HD PRO 9 5.520 4.224 -0.979
70 HD3 PRO 9 1HD PRO 9 6.681 2.877 -0.921
71 H ARG 10 H ARG 10 1.575 1.203 -1.134
72 HA ARG 10 HA ARG 10 0.282 3.765 -1.763
73 HB2 ARG 10 2HB ARG 10 0.015 1.045 -3.057
74 HB3 ARG 10 1HB ARG 10 -0.996 2.426 -3.449
75 HG2 ARG 10 2HG ARG 10 1.998 2.387 -3.760
76 HG3 ARG 10 1HG ARG 10 0.855 2.026 -5.054
77 HD2 ARG 10 2HD ARG 10 0.959 4.614 -3.511
78 HD3 ARG 10 1HD ARG 10 1.673 4.354 -5.098
79 HE ARG 10 HE ARG 10 -0.701 3.728 -5.757
80 HH11 ARG 10 1HH1 ARG 10 0.031 6.228 -3.338
81 HH12 ARG 10 2HH1 ARG 10 -1.315 7.183 -3.706
82 HH21 ARG 10 1HH2 ARG 10 -2.581 5.042 -6.240
83 HH22 ARG 10 2HH2 ARG 10 -2.851 6.479 -5.373
84 H ALA 11 H PRG 11 -1.416 4.230 -0.547
85 HA ALA 11 HA PRG 11 -2.734 1.956 0.667
86 HB1 ALA 11 1HB PRG 11 -3.278 3.317 2.610
87 HB2 ALA 11 2HB PRG 11 -2.472 4.709 1.935
88 H PHE 12 H PHE 12 -4.801 1.874 0.665
89 HA PHE 12 HA PHE 12 -6.195 3.862 -0.990
90 HB2 PHE 12 2HB PHE 12 -6.588 0.850 -1.106
91 HB3 PHE 12 1HB PHE 12 -7.472 2.043 -2.036
92 HD1 PHE 12 1HD PHE 12 -4.315 0.235 -1.707
93 HD2 PHE 12 2HD PHE 12 -6.435 3.201 -3.906
94 HE1 PHE 12 1HE PHE 12 -2.642 0.095 -3.498
95 HE2 PHE 12 2HE PHE 12 -4.765 3.064 -5.697
96 HZ PHE 12 HZ PHE 12 -2.866 1.511 -5.499
97 HA PRO 13 HA PRO 13 -8.942 4.374 2.357
98 HB2 PRO 13 2HB PRO 13 -11.305 4.739 0.962
99 HB3 PRO 13 1HB PRO 13 -10.110 5.986 1.304
100 HG2 PRO 13 2HG PRO 13 -10.506 4.365 -1.168
101 HG3 PRO 13 1HG PRO 13 -10.051 6.069 -1.002
102 HD2 PRO 13 2HD PRO 13 -8.258 4.201 -1.632
103 HD3 PRO 13 1HD PRO 13 -7.838 5.563 -0.574
104 H ASP 14 H ASP 14 -9.223 1.559 0.543
105 HA ASP 14 HA ASP 14 -11.640 0.651 1.923
106 HB2 ASP 14 2HB ASP 14 -11.491 -1.397 0.635
107 HB3 ASP 14 1HB ASP 14 -11.303 -0.042 -0.460
108 H1 WMH 101 1HG AZH 3 -2.354 1.699 4.918
109 H2 WMH 101 2HG AZH 3 -2.868 1.481 3.278
110 H5 WMH 101 HD PRG 11 0.281 4.541 1.700
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -8.600 1.193 3.052
2 HA2 GLY 1 2HA GLY 1 -7.377 0.375 4.869
3 HA3 GLY 1 1HA GLY 1 -8.437 -1.025 4.908
4 H ARG 2 H ARG 2 -7.070 -0.110 1.934
5 HA ARG 2 HA ARG 2 -5.513 -2.586 1.899
6 HB2 ARG 2 2HB ARG 2 -7.232 -2.139 0.161
7 HB3 ARG 2 1HB ARG 2 -6.337 -0.710 -0.297
8 HG2 ARG 2 2HG ARG 2 -4.476 -2.088 -1.027
9 HG3 ARG 2 1HG ARG 2 -5.361 -3.542 -0.539
10 HD2 ARG 2 2HD ARG 2 -7.167 -2.964 -2.070
11 HD3 ARG 2 1HD ARG 2 -6.296 -1.513 -2.550
12 HE ARG 2 HE ARG 2 -4.615 -3.624 -3.003
13 HH11 ARG 2 1HH1 ARG 2 -7.751 -2.486 -4.163
14 HH12 ARG 2 2HH1 ARG 2 -7.684 -3.223 -5.679
15 HH21 ARG 2 1HH2 ARG 2 -4.437 -4.648 -5.090
16 HH22 ARG 2 2HH2 ARG 2 -5.685 -4.533 -6.238
17 H ALA 3 H AZH 3 -3.470 -2.320 2.433
18 HA ALA 3 HA AZH 3 -1.957 -0.021 1.436
19 HB1 ALA 3 1HB AZH 3 -0.759 -0.345 3.802
20 HB2 ALA 3 2HB AZH 3 -2.381 -0.840 4.253
21 H THR 4 H THR 4 0.001 -0.548 0.634
22 HA THR 4 HA THR 4 0.866 -3.271 0.877
23 HB THR 4 HB THR 4 2.747 -2.423 -0.624
24 HG1 THR 4 1HG THR 4 2.791 -0.400 -1.209
25 HG21 THR 4 1HG2 THR 4 -0.087 -2.004 -1.596
26 HG22 THR 4 2HG2 THR 4 0.779 -3.540 -1.567
27 HG23 THR 4 3HG2 THR 4 1.323 -2.241 -2.627
28 H LYS 5 H LYS 5 2.723 -3.890 1.957
29 HA LYS 5 HA LYS 5 3.514 -2.084 4.098
30 HB2 LYS 5 2HB LYS 5 4.229 -4.975 3.583
31 HB3 LYS 5 1HB LYS 5 4.671 -4.075 5.021
32 HG2 LYS 5 2HG LYS 5 1.845 -4.687 4.153
33 HG3 LYS 5 1HG LYS 5 2.751 -5.582 5.369
34 HD2 LYS 5 2HD LYS 5 2.068 -2.644 5.542
35 HD3 LYS 5 1HD LYS 5 1.158 -3.931 6.326
36 HE2 LYS 5 2HE LYS 5 3.154 -4.560 7.610
37 HE3 LYS 5 1HE LYS 5 4.069 -3.283 6.820
38 HZ1 LYS 5 1HZ LYS 5 2.594 -1.653 7.826
39 HZ2 LYS 5 2HZ LYS 5 3.321 -2.606 8.995
40 HZ3 LYS 5 3HZ LYS 5 1.708 -2.879 8.579
41 H SER 6 H SER 6 4.840 -3.742 1.335
42 HA SER 6 HA SER 6 7.457 -2.633 1.763
43 HB2 SER 6 2HB SER 6 7.879 -3.930 -0.386
44 HB3 SER 6 1HB SER 6 7.425 -4.888 1.025
45 HG SER 6 HG SER 6 5.563 -5.365 0.138
46 H ILE 7 H ILE 7 8.480 -1.449 -0.042
47 HA ILE 7 HA ILE 7 6.834 0.664 -0.963
48 HB ILE 7 HB ILE 7 8.851 1.457 -2.156
49 HG12 ILE 7 2HG1 ILE 7 10.163 -1.078 -1.120
50 HG13 ILE 7 1HG1 ILE 7 9.739 -0.775 -2.796
51 HG21 ILE 7 1HG2 ILE 7 8.564 2.077 0.158
52 HG22 ILE 7 2HG2 ILE 7 10.274 1.798 -0.164
53 HG23 ILE 7 3HG2 ILE 7 9.325 0.580 0.687
54 HD11 ILE 7 1HD1 ILE 7 11.729 0.781 -1.169
55 HD12 ILE 7 2HD1 ILE 7 11.322 1.073 -2.861
56 HD13 ILE 7 3HD1 ILE 7 12.104 -0.435 -2.390
57 HA PRO 8 HA PRO 8 6.716 2.161 -2.629
58 HB2 PRO 8 2HB PRO 8 4.399 2.312 -4.411
59 HB3 PRO 8 1HB PRO 8 5.924 3.189 -4.517
60 HG2 PRO 8 2HG PRO 8 5.239 1.282 -6.299
61 HG3 PRO 8 1HG PRO 8 6.919 1.575 -5.820
62 HD2 PRO 8 2HD PRO 8 5.026 -0.545 -4.855
63 HD3 PRO 8 1HD PRO 8 6.732 -0.694 -5.330
64 HA PRO 9 HA PRO 9 3.286 1.151 0.144
65 HB2 PRO 9 2HB PRO 9 3.609 3.771 1.365
66 HB3 PRO 9 1HB PRO 9 3.988 2.192 2.054
67 HG2 PRO 9 2HG PRO 9 5.901 4.014 1.383
68 HG3 PRO 9 1HG PRO 9 6.172 2.265 1.354
69 HD2 PRO 9 2HD PRO 9 5.569 4.126 -0.913
70 HD3 PRO 9 1HD PRO 9 6.733 2.783 -0.821
71 H ARG 10 H ARG 10 1.504 1.242 -1.059
72 HA ARG 10 HA ARG 10 0.363 3.874 -1.643
73 HB2 ARG 10 2HB ARG 10 1.114 2.700 -3.683
74 HB3 ARG 10 1HB ARG 10 0.137 1.318 -3.243
75 HG2 ARG 10 2HG ARG 10 -1.880 2.488 -3.621
76 HG3 ARG 10 1HG ARG 10 -1.040 4.034 -3.728
77 HD2 ARG 10 2HD ARG 10 -1.699 3.189 -5.939
78 HD3 ARG 10 1HD ARG 10 0.044 3.348 -5.775
79 HE ARG 10 HE ARG 10 -0.906 0.699 -5.192
80 HH11 ARG 10 1HH1 ARG 10 0.022 2.882 -7.821
81 HH12 ARG 10 2HH1 ARG 10 0.471 1.654 -8.893
82 HH21 ARG 10 1HH2 ARG 10 -0.280 -1.007 -6.653
83 HH22 ARG 10 2HH2 ARG 10 0.328 -0.626 -8.200
84 H ALA 11 H PRG 11 -1.527 4.230 -0.664
85 HA ALA 11 HA PRG 11 -2.871 1.885 0.428
86 HB1 ALA 11 1HB PRG 11 -3.474 3.133 2.406
87 HB2 ALA 11 2HB PRG 11 -2.697 4.577 1.820
88 H PHE 12 H PHE 12 -4.974 1.867 0.512
89 HA PHE 12 HA PHE 12 -6.379 3.928 -1.022
90 HB2 PHE 12 2HB PHE 12 -6.982 0.948 -1.052
91 HB3 PHE 12 1HB PHE 12 -7.783 2.197 -1.983
92 HD1 PHE 12 1HD PHE 12 -4.767 0.162 -1.703
93 HD2 PHE 12 2HD PHE 12 -6.750 3.195 -3.917
94 HE1 PHE 12 1HE PHE 12 -3.180 -0.159 -3.539
95 HE2 PHE 12 2HE PHE 12 -5.155 2.883 -5.767
96 HZ PHE 12 HZ PHE 12 -3.368 1.201 -5.578
97 HA PRO 13 HA PRO 13 -8.975 4.455 2.495
98 HB2 PRO 13 2HB PRO 13 -11.369 4.575 0.788
99 HB3 PRO 13 1HB PRO 13 -10.648 5.823 1.807
100 HG2 PRO 13 2HG PRO 13 -10.475 5.958 -0.853
101 HG3 PRO 13 1HG PRO 13 -9.129 6.458 0.187
102 HD2 PRO 13 2HD PRO 13 -9.503 3.917 -1.334
103 HD3 PRO 13 1HD PRO 13 -8.060 4.946 -1.190
104 H ASP 14 H ASP 14 -9.363 1.632 0.761
105 HA ASP 14 HA ASP 14 -11.602 0.715 2.413
106 HB2 ASP 14 2HB ASP 14 -11.739 -1.220 0.993
107 HB3 ASP 14 1HB ASP 14 -11.567 0.181 -0.049
108 H1 WMH 101 1HG AZH 3 -2.511 1.464 4.695
109 H2 WMH 101 2HG AZH 3 -3.063 1.335 3.054
110 H5 WMH 101 HD PRG 11 0.044 4.539 1.653
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -8.445 1.233 2.499
2 HA2 GLY 1 2HA GLY 1 -7.625 1.497 4.754
3 HA3 GLY 1 1HA GLY 1 -8.451 0.005 5.167
4 H ARG 2 H ARG 2 -7.356 -0.794 2.321
5 HA ARG 2 HA ARG 2 -5.195 -2.302 3.397
6 HB2 ARG 2 2HB ARG 2 -6.054 -1.913 0.535
7 HB3 ARG 2 1HB ARG 2 -4.792 -3.014 1.046
8 HG2 ARG 2 2HG ARG 2 -7.691 -3.156 1.835
9 HG3 ARG 2 1HG ARG 2 -6.887 -4.161 0.632
10 HD2 ARG 2 2HD ARG 2 -6.249 -4.075 3.582
11 HD3 ARG 2 1HD ARG 2 -7.134 -5.343 2.744
12 HE ARG 2 HE ARG 2 -4.519 -4.860 1.664
13 HH11 ARG 2 1HH1 ARG 2 -6.322 -6.649 4.118
14 HH12 ARG 2 2HH1 ARG 2 -5.174 -7.887 4.273
15 HH21 ARG 2 1HH2 ARG 2 -2.932 -6.514 1.856
16 HH22 ARG 2 2HH2 ARG 2 -3.167 -7.808 2.940
17 H ALA 3 H AZH 3 -3.102 -2.012 3.289
18 HA ALA 3 HA AZH 3 -2.036 0.195 1.733
19 HB1 ALA 3 1HB AZH 3 -0.419 0.308 3.857
20 HB2 ALA 3 2HB AZH 3 -1.868 -0.260 4.674
21 H THR 4 H THR 4 -0.244 -0.346 0.675
22 HA THR 4 HA THR 4 0.539 -3.070 0.657
23 HB THR 4 HB THR 4 2.332 -1.017 -0.465
24 HG1 THR 4 1HG THR 4 0.017 -1.614 -1.953
25 HG21 THR 4 1HG2 THR 4 1.016 -3.481 -1.560
26 HG22 THR 4 2HG2 THR 4 2.656 -3.390 -0.894
27 HG23 THR 4 3HG2 THR 4 2.252 -2.540 -2.394
28 H LYS 5 H LYS 5 2.466 -3.886 1.362
29 HA LYS 5 HA LYS 5 3.656 -2.492 3.631
30 HB2 LYS 5 2HB LYS 5 2.774 -4.806 3.881
31 HB3 LYS 5 1HB LYS 5 3.930 -5.326 2.671
32 HG2 LYS 5 2HG LYS 5 5.771 -4.815 4.139
33 HG3 LYS 5 1HG LYS 5 4.658 -4.161 5.344
34 HD2 LYS 5 2HD LYS 5 5.304 -6.446 5.940
35 HD3 LYS 5 1HD LYS 5 3.591 -6.359 5.551
36 HE2 LYS 5 2HE LYS 5 4.085 -7.190 3.275
37 HE3 LYS 5 1HE LYS 5 5.785 -7.337 3.719
38 HZ1 LYS 5 1HZ LYS 5 3.546 -8.766 5.031
39 HZ2 LYS 5 2HZ LYS 5 5.188 -8.987 5.346
40 HZ3 LYS 5 3HZ LYS 5 4.544 -9.414 3.844
41 H SER 6 H SER 6 4.387 -3.906 0.509
42 HA SER 6 HA SER 6 7.181 -3.467 0.671
43 HB2 SER 6 2HB SER 6 6.934 -3.991 -1.852
44 HB3 SER 6 1HB SER 6 6.532 -5.259 -0.693
45 HG SER 6 HG SER 6 4.610 -5.271 -1.460
46 H ILE 7 H ILE 7 8.370 -1.858 -0.336
47 HA ILE 7 HA ILE 7 6.949 0.628 -0.627
48 HB ILE 7 HB ILE 7 9.220 1.657 -0.894
49 HG12 ILE 7 2HG1 ILE 7 10.224 -1.157 -0.353
50 HG13 ILE 7 1HG1 ILE 7 10.369 -0.313 -1.888
51 HG21 ILE 7 1HG2 ILE 7 9.939 1.283 1.432
52 HG22 ILE 7 2HG2 ILE 7 8.838 -0.088 1.534
53 HG23 ILE 7 3HG2 ILE 7 8.199 1.538 1.302
54 HD11 ILE 7 1HD1 ILE 7 12.462 -0.287 -0.656
55 HD12 ILE 7 2HD1 ILE 7 11.662 0.487 0.713
56 HD13 ILE 7 3HD1 ILE 7 11.818 1.346 -0.819
57 HA PRO 8 HA PRO 8 7.043 2.550 -1.541
58 HB2 PRO 8 2HB PRO 8 5.474 3.941 -3.214
59 HB3 PRO 8 1HB PRO 8 7.236 3.937 -3.374
60 HG2 PRO 8 2HG PRO 8 5.196 2.444 -4.952
61 HG3 PRO 8 1HG PRO 8 6.683 3.236 -5.500
62 HD2 PRO 8 2HD PRO 8 6.417 0.525 -5.018
63 HD3 PRO 8 1HD PRO 8 7.954 1.402 -5.046
64 HA PRO 9 HA PRO 9 3.245 0.713 -0.174
65 HB2 PRO 9 2HB PRO 9 2.644 2.448 1.832
66 HB3 PRO 9 1HB PRO 9 3.909 1.221 1.972
67 HG2 PRO 9 2HG PRO 9 4.156 4.139 1.384
68 HG3 PRO 9 1HG PRO 9 5.176 3.114 2.408
69 HD2 PRO 9 2HD PRO 9 5.853 3.857 -0.126
70 HD3 PRO 9 1HD PRO 9 6.402 2.349 0.629
71 H ARG 10 H ARG 10 1.257 0.882 -1.066
72 HA ARG 10 HA ARG 10 0.252 3.552 -1.764
73 HB2 ARG 10 2HB ARG 10 -0.704 0.855 -2.745
74 HB3 ARG 10 1HB ARG 10 -1.159 2.432 -3.365
75 HG2 ARG 10 2HG ARG 10 1.097 2.751 -4.214
76 HG3 ARG 10 1HG ARG 10 1.555 1.168 -3.577
77 HD2 ARG 10 2HD ARG 10 -0.253 0.170 -4.977
78 HD3 ARG 10 1HD ARG 10 -0.485 1.757 -5.711
79 HE ARG 10 HE ARG 10 2.205 0.809 -5.763
80 HH11 ARG 10 1HH1 ARG 10 -0.873 0.797 -7.529
81 HH12 ARG 10 2HH1 ARG 10 -0.139 0.394 -9.012
82 HH21 ARG 10 1HH2 ARG 10 3.161 0.229 -7.803
83 HH22 ARG 10 2HH2 ARG 10 2.180 0.091 -9.178
84 H ALA 11 H PRG 11 -1.804 4.068 -0.916
85 HA ALA 11 HA PRG 11 -2.874 1.972 0.748
86 HB1 ALA 11 1HB PRG 11 -3.519 3.496 2.518
87 HB2 ALA 11 2HB PRG 11 -2.877 4.881 1.679
88 H PHE 12 H PHE 12 -4.807 1.554 0.690
89 HA PHE 12 HA PHE 12 -6.296 2.731 -1.510
90 HB2 PHE 12 2HB PHE 12 -6.466 0.043 -0.134
91 HB3 PHE 12 1HB PHE 12 -7.462 0.545 -1.493
92 HD1 PHE 12 1HD PHE 12 -3.930 -0.254 -0.489
93 HD2 PHE 12 2HD PHE 12 -6.675 0.394 -3.706
94 HE1 PHE 12 1HE PHE 12 -2.272 -1.054 -2.062
95 HE2 PHE 12 2HE PHE 12 -4.984 -0.428 -5.283
96 HZ PHE 12 HZ PHE 12 -2.780 -1.152 -4.463
97 HA PRO 13 HA PRO 13 -9.292 4.556 1.135
98 HB2 PRO 13 2HB PRO 13 -11.609 4.038 -0.242
99 HB3 PRO 13 1HB PRO 13 -10.450 5.302 -0.672
100 HG2 PRO 13 2HG PRO 13 -10.717 2.532 -1.779
101 HG3 PRO 13 1HG PRO 13 -10.483 4.065 -2.642
102 HD2 PRO 13 2HD PRO 13 -8.436 2.425 -2.236
103 HD3 PRO 13 1HD PRO 13 -8.227 4.183 -2.072
104 H ASP 14 H ASP 14 -9.571 1.190 0.422
105 HA ASP 14 HA ASP 14 -11.724 0.821 2.318
106 HB2 ASP 14 2HB ASP 14 -11.750 -1.489 1.700
107 HB3 ASP 14 1HB ASP 14 -11.560 -0.563 0.221
108 H1 WMH 101 1HG AZH 3 -2.340 2.031 4.837
109 H2 WMH 101 2HG AZH 3 -2.896 1.725 3.229
110 H5 WMH 101 HD PRG 11 -0.183 5.112 1.528
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -8.593 1.391 2.816
2 HA2 GLY 1 2HA GLY 1 -7.466 0.855 4.849
3 HA3 GLY 1 1HA GLY 1 -8.767 -0.267 5.227
4 H ARG 2 H ARG 2 -6.245 0.303 2.856
5 HA ARG 2 HA ARG 2 -5.345 -2.404 3.059
6 HB2 ARG 2 2HB ARG 2 -7.166 -2.660 1.437
7 HB3 ARG 2 1HB ARG 2 -6.521 -1.338 0.480
8 HG2 ARG 2 2HG ARG 2 -4.565 -2.654 -0.066
9 HG3 ARG 2 1HG ARG 2 -5.138 -3.952 0.982
10 HD2 ARG 2 2HD ARG 2 -7.072 -4.282 -0.407
11 HD3 ARG 2 1HD ARG 2 -6.621 -2.913 -1.423
12 HE ARG 2 HE ARG 2 -4.500 -4.649 -1.425
13 HH11 ARG 2 1HH1 ARG 2 -7.865 -4.749 -2.467
14 HH12 ARG 2 2HH1 ARG 2 -7.599 -5.856 -3.738
15 HH21 ARG 2 1HH2 ARG 2 -4.104 -6.140 -3.215
16 HH22 ARG 2 2HH2 ARG 2 -5.400 -6.669 -4.163
17 H ALA 3 H AZH 3 -3.185 -2.229 3.012
18 HA ALA 3 HA AZH 3 -1.892 -0.185 1.369
19 HB1 ALA 3 1HB AZH 3 -0.358 0.101 3.492
20 HB2 ALA 3 2HB AZH 3 -1.780 -0.457 4.358
21 H THR 4 H THR 4 -0.092 -0.979 0.410
22 HA THR 4 HA THR 4 0.570 -3.733 0.840
23 HB THR 4 HB THR 4 2.313 -3.331 -0.918
24 HG1 THR 4 1HG THR 4 2.736 -1.433 -1.612
25 HG21 THR 4 1HG2 THR 4 0.748 -2.969 -2.771
26 HG22 THR 4 2HG2 THR 4 -0.460 -2.390 -1.627
27 HG23 THR 4 3HG2 THR 4 0.084 -4.069 -1.562
28 H LYS 5 H LYS 5 2.161 -4.524 2.109
29 HA LYS 5 HA LYS 5 3.804 -2.629 3.492
30 HB2 LYS 5 2HB LYS 5 4.738 -4.606 4.739
31 HB3 LYS 5 1HB LYS 5 3.001 -4.432 4.865
32 HG2 LYS 5 2HG LYS 5 2.719 -6.219 3.195
33 HG3 LYS 5 1HG LYS 5 4.474 -6.391 3.111
34 HD2 LYS 5 2HD LYS 5 4.514 -6.924 5.518
35 HD3 LYS 5 1HD LYS 5 2.755 -6.809 5.558
36 HE2 LYS 5 2HE LYS 5 3.461 -9.124 5.422
37 HE3 LYS 5 1HE LYS 5 2.614 -8.661 3.954
38 HZ1 LYS 5 1HZ LYS 5 4.734 -8.391 2.846
39 HZ2 LYS 5 2HZ LYS 5 4.615 -9.942 3.469
40 HZ3 LYS 5 3HZ LYS 5 5.566 -8.796 4.247
41 H SER 6 H SER 6 4.744 -1.797 1.657
42 HA SER 6 HA SER 6 7.292 -2.877 0.941
43 HB2 SER 6 2HB SER 6 6.673 -2.849 -1.530
44 HB3 SER 6 1HB SER 6 6.012 -4.194 -0.592
45 HG SER 6 HG SER 6 4.308 -2.351 -0.296
46 H ILE 7 H ILE 7 8.367 -1.252 -0.558
47 HA ILE 7 HA ILE 7 7.045 1.351 -0.468
48 HB ILE 7 HB ILE 7 10.034 0.776 -0.206
49 HG12 ILE 7 2HG1 ILE 7 9.787 2.195 1.933
50 HG13 ILE 7 1HG1 ILE 7 8.057 1.971 1.753
51 HG21 ILE 7 1HG2 ILE 7 9.713 2.700 -1.638
52 HG22 ILE 7 2HG2 ILE 7 10.404 3.189 -0.093
53 HG23 ILE 7 3HG2 ILE 7 8.693 3.466 -0.416
54 HD11 ILE 7 1HD1 ILE 7 8.365 -0.451 1.969
55 HD12 ILE 7 2HD1 ILE 7 8.984 0.422 3.370
56 HD13 ILE 7 3HD1 ILE 7 10.102 -0.208 2.158
57 HA PRO 8 HA PRO 8 6.788 3.203 -1.682
58 HB2 PRO 8 2HB PRO 8 5.064 3.109 -4.064
59 HB3 PRO 8 1HB PRO 8 5.974 4.470 -3.408
60 HG2 PRO 8 2HG PRO 8 6.726 3.306 -5.657
61 HG3 PRO 8 1HG PRO 8 7.934 3.828 -4.463
62 HD2 PRO 8 2HD PRO 8 6.817 1.078 -4.926
63 HD3 PRO 8 1HD PRO 8 8.513 1.581 -4.753
64 HA PRO 9 HA PRO 9 3.386 0.673 -0.352
65 HB2 PRO 9 2HB PRO 9 2.373 2.346 1.510
66 HB3 PRO 9 1HB PRO 9 3.864 1.437 1.773
67 HG2 PRO 9 2HG PRO 9 3.489 4.311 1.109
68 HG3 PRO 9 1HG PRO 9 4.737 3.539 2.099
69 HD2 PRO 9 2HD PRO 9 5.030 4.373 -0.548
70 HD3 PRO 9 1HD PRO 9 6.098 3.243 0.311
71 H ARG 10 H ARG 10 1.570 0.406 -1.412
72 HA ARG 10 HA ARG 10 0.151 2.735 -2.471
73 HB2 ARG 10 2HB ARG 10 -0.071 -0.200 -3.171
74 HB3 ARG 10 1HB ARG 10 -1.024 1.079 -3.899
75 HG2 ARG 10 2HG ARG 10 1.958 0.707 -4.119
76 HG3 ARG 10 1HG ARG 10 0.754 0.421 -5.377
77 HD2 ARG 10 2HD ARG 10 1.479 3.071 -4.129
78 HD3 ARG 10 1HD ARG 10 1.843 2.531 -5.764
79 HE ARG 10 HE ARG 10 -0.962 2.707 -4.962
80 HH11 ARG 10 1HH1 ARG 10 1.697 4.082 -6.869
81 HH12 ARG 10 2HH1 ARG 10 0.678 5.071 -7.801
82 HH21 ARG 10 1HH2 ARG 10 -2.317 4.095 -6.184
83 HH22 ARG 10 2HH2 ARG 10 -1.669 5.093 -7.396
84 H ALA 11 H PRG 11 -1.782 3.256 -1.622
85 HA ALA 11 HA PRG 11 -2.968 1.248 0.116
86 HB1 ALA 11 1HB PRG 11 -3.562 2.839 1.785
87 HB2 ALA 11 2HB PRG 11 -3.008 4.202 0.880
88 H PHE 12 H PHE 12 -5.156 1.533 0.510
89 HA PHE 12 HA PHE 12 -6.602 3.068 -1.503
90 HB2 PHE 12 2HB PHE 12 -7.246 0.262 -0.541
91 HB3 PHE 12 1HB PHE 12 -8.283 1.229 -1.575
92 HD1 PHE 12 1HD PHE 12 -7.503 1.839 -3.863
93 HD2 PHE 12 2HD PHE 12 -5.453 -0.976 -1.433
94 HE1 PHE 12 1HE PHE 12 -6.379 0.950 -5.852
95 HE2 PHE 12 2HE PHE 12 -4.325 -1.876 -3.409
96 HZ PHE 12 HZ PHE 12 -4.787 -0.913 -5.636
97 HA PRO 13 HA PRO 13 -8.443 4.846 2.045
98 HB2 PRO 13 2HB PRO 13 -11.002 5.110 0.601
99 HB3 PRO 13 1HB PRO 13 -9.936 6.364 1.241
100 HG2 PRO 13 2HG PRO 13 -10.107 5.938 -1.379
101 HG3 PRO 13 1HG PRO 13 -8.558 6.332 -0.613
102 HD2 PRO 13 2HD PRO 13 -9.616 3.663 -1.467
103 HD3 PRO 13 1HD PRO 13 -8.008 4.367 -1.729
104 H ASP 14 H ASP 14 -9.821 1.963 0.804
105 HA ASP 14 HA ASP 14 -11.833 1.813 2.891
106 HB2 ASP 14 2HB ASP 14 -12.516 -0.305 1.974
107 HB3 ASP 14 1HB ASP 14 -12.267 0.796 0.631
108 H1 WMH 101 1HG AZH 3 -2.285 1.850 4.406
109 H2 WMH 101 2HG AZH 3 -2.901 1.396 2.860
110 H5 WMH 101 HD PRG 11 -0.300 4.537 0.628
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -8.724 1.092 2.397
2 HA2 GLY 1 2HA GLY 1 -7.937 1.063 4.616
3 HA3 GLY 1 1HA GLY 1 -9.144 -0.161 4.997
4 H ARG 2 H ARG 2 -6.362 0.291 2.869
5 HA ARG 2 HA ARG 2 -5.137 -2.081 3.929
6 HB2 ARG 2 2HB ARG 2 -6.579 -2.933 2.059
7 HB3 ARG 2 1HB ARG 2 -5.748 -1.845 0.963
8 HG2 ARG 2 2HG ARG 2 -3.635 -3.018 1.433
9 HG3 ARG 2 1HG ARG 2 -4.512 -4.138 2.475
10 HD2 ARG 2 2HD ARG 2 -5.912 -4.768 0.542
11 HD3 ARG 2 1HD ARG 2 -4.926 -3.723 -0.483
12 HE ARG 2 HE ARG 2 -3.394 -5.620 0.990
13 HH11 ARG 2 1HH1 ARG 2 -5.214 -5.145 -2.022
14 HH12 ARG 2 2HH1 ARG 2 -4.505 -6.466 -2.820
15 HH21 ARG 2 1HH2 ARG 2 -2.427 -7.477 -0.136
16 HH22 ARG 2 2HH2 ARG 2 -2.927 -7.822 -1.720
17 H ALA 3 H AZH 3 -2.915 -1.918 3.685
18 HA ALA 3 HA AZH 3 -1.895 0.289 2.081
19 HB1 ALA 3 1HB AZH 3 -0.233 0.585 4.108
20 HB2 ALA 3 2HB AZH 3 -1.561 -0.120 5.026
21 H THR 4 H THR 4 0.045 -0.088 1.091
22 HA THR 4 HA THR 4 0.642 -2.813 0.813
23 HB THR 4 HB THR 4 2.421 -2.016 -0.756
24 HG1 THR 4 1HG THR 4 2.955 0.015 -0.808
25 HG21 THR 4 1HG2 THR 4 -0.295 -0.742 -1.124
26 HG22 THR 4 2HG2 THR 4 0.102 -2.413 -1.496
27 HG23 THR 4 3HG2 THR 4 0.849 -1.107 -2.414
28 H LYS 5 H LYS 5 2.214 -3.986 1.633
29 HA LYS 5 HA LYS 5 3.784 -2.795 3.756
30 HB2 LYS 5 2HB LYS 5 3.528 -5.681 2.883
31 HB3 LYS 5 1HB LYS 5 4.438 -5.119 4.279
32 HG2 LYS 5 2HG LYS 5 2.394 -4.278 5.303
33 HG3 LYS 5 1HG LYS 5 1.467 -4.800 3.898
34 HD2 LYS 5 2HD LYS 5 2.126 -7.125 4.348
35 HD3 LYS 5 1HD LYS 5 3.027 -6.584 5.765
36 HE2 LYS 5 2HE LYS 5 0.971 -5.749 6.771
37 HE3 LYS 5 1HE LYS 5 0.060 -6.237 5.345
38 HZ1 LYS 5 1HZ LYS 5 1.513 -8.042 7.191
39 HZ2 LYS 5 2HZ LYS 5 0.694 -8.552 5.820
40 HZ3 LYS 5 3HZ LYS 5 -0.154 -7.856 7.110
41 H SER 6 H SER 6 4.127 -3.796 0.507
42 HA SER 6 HA SER 6 7.016 -3.599 0.666
43 HB2 SER 6 2HB SER 6 6.764 -4.378 -1.766
44 HB3 SER 6 1HB SER 6 6.326 -5.537 -0.509
45 HG SER 6 HG SER 6 4.785 -4.397 -2.438
46 H ILE 7 H ILE 7 8.081 -2.142 -0.812
47 HA ILE 7 HA ILE 7 6.719 0.330 -1.029
48 HB ILE 7 HB ILE 7 8.837 1.105 -2.245
49 HG12 ILE 7 2HG1 ILE 7 10.897 -0.301 -1.723
50 HG13 ILE 7 1HG1 ILE 7 9.818 -1.624 -1.345
51 HG21 ILE 7 1HG2 ILE 7 10.106 1.273 -0.164
52 HG22 ILE 7 2HG2 ILE 7 9.001 0.108 0.571
53 HG23 ILE 7 3HG2 ILE 7 8.398 1.667 0.021
54 HD11 ILE 7 1HD1 ILE 7 10.124 -0.289 -4.031
55 HD12 ILE 7 2HD1 ILE 7 9.026 -1.618 -3.668
56 HD13 ILE 7 3HD1 ILE 7 10.769 -1.863 -3.562
57 HA PRO 8 HA PRO 8 7.124 2.257 -2.228
58 HB2 PRO 8 2HB PRO 8 5.444 3.917 -3.507
59 HB3 PRO 8 1HB PRO 8 6.972 3.420 -4.246
60 HG2 PRO 8 2HG PRO 8 4.212 2.349 -4.711
61 HG3 PRO 8 1HG PRO 8 5.455 2.780 -5.901
62 HD2 PRO 8 2HD PRO 8 4.994 0.228 -5.086
63 HD3 PRO 8 1HD PRO 8 6.587 0.798 -5.617
64 HA PRO 9 HA PRO 9 3.653 2.167 0.652
65 HB2 PRO 9 2HB PRO 9 3.972 5.105 0.883
66 HB3 PRO 9 1HB PRO 9 4.051 3.874 2.146
67 HG2 PRO 9 2HG PRO 9 6.261 5.067 1.314
68 HG3 PRO 9 1HG PRO 9 6.259 3.328 1.658
69 HD2 PRO 9 2HD PRO 9 6.112 4.731 -0.987
70 HD3 PRO 9 1HD PRO 9 7.077 3.315 -0.511
71 H ARG 10 H ARG 10 1.763 1.861 -0.264
72 HA ARG 10 HA ARG 10 0.344 4.131 -1.389
73 HB2 ARG 10 2HB ARG 10 1.241 2.943 -3.285
74 HB3 ARG 10 1HB ARG 10 0.750 1.409 -2.594
75 HG2 ARG 10 2HG ARG 10 -1.574 1.954 -2.941
76 HG3 ARG 10 1HG ARG 10 -1.133 3.550 -3.551
77 HD2 ARG 10 2HD ARG 10 -1.613 1.858 -5.320
78 HD3 ARG 10 1HD ARG 10 -0.019 2.603 -5.438
79 HE ARG 10 HE ARG 10 0.691 0.501 -4.133
80 HH11 ARG 10 1HH1 ARG 10 -1.770 0.540 -6.663
81 HH12 ARG 10 2HH1 ARG 10 -1.492 -1.063 -7.138
82 HH21 ARG 10 1HH2 ARG 10 1.075 -1.659 -4.777
83 HH22 ARG 10 2HH2 ARG 10 0.201 -2.330 -6.063
84 H ALA 11 H PRG 11 -1.734 4.164 -0.645
85 HA ALA 11 HA PRG 11 -2.560 1.765 0.752
86 HB1 ALA 11 1HB PRG 11 -3.598 3.074 2.495
87 HB2 ALA 11 2HB PRG 11 -3.191 4.585 1.740
88 H PHE 12 H PHE 12 -4.706 1.412 0.848
89 HA PHE 12 HA PHE 12 -6.078 2.424 -1.551
90 HB2 PHE 12 2HB PHE 12 -6.398 -0.236 -0.142
91 HB3 PHE 12 1HB PHE 12 -7.266 0.263 -1.585
92 HD1 PHE 12 1HD PHE 12 -6.075 0.481 -3.731
93 HD2 PHE 12 2HD PHE 12 -4.143 -1.044 -0.260
94 HE1 PHE 12 1HE PHE 12 -4.285 -0.453 -5.132
95 HE2 PHE 12 2HE PHE 12 -2.351 -1.978 -1.658
96 HZ PHE 12 HZ PHE 12 -2.420 -1.682 -4.099
97 HA PRO 13 HA PRO 13 -9.020 4.422 1.030
98 HB2 PRO 13 2HB PRO 13 -11.267 4.163 -0.551
99 HB3 PRO 13 1HB PRO 13 -10.004 5.375 -0.793
100 HG2 PRO 13 2HG PRO 13 -10.376 2.729 -2.142
101 HG3 PRO 13 1HG PRO 13 -9.925 4.290 -2.852
102 HD2 PRO 13 2HD PRO 13 -8.095 2.420 -2.399
103 HD3 PRO 13 1HD PRO 13 -7.729 4.133 -2.100
104 H ASP 14 H ASP 14 -9.524 1.128 0.112
105 HA ASP 14 HA ASP 14 -11.907 0.779 1.720
106 HB2 ASP 14 2HB ASP 14 -11.868 -1.507 0.999
107 HB3 ASP 14 1HB ASP 14 -11.518 -0.491 -0.393
108 H1 WMH 101 1HG AZH 3 -2.385 2.103 5.133
109 H2 WMH 101 2HG AZH 3 -2.829 1.688 3.539
110 H5 WMH 101 HD PRG 11 -0.509 5.228 1.647
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -8.817 0.678 2.118
2 HA2 GLY 1 2HA GLY 1 -8.154 -0.316 4.303
3 HA3 GLY 1 1HA GLY 1 -9.327 -1.574 3.948
4 H ARG 2 H ARG 2 -6.335 -0.111 2.808
5 HA ARG 2 HA ARG 2 -5.088 -2.601 2.413
6 HB2 ARG 2 2HB ARG 2 -6.405 -2.714 0.374
7 HB3 ARG 2 1HB ARG 2 -5.899 -1.100 -0.088
8 HG2 ARG 2 2HG ARG 2 -4.698 -2.760 -1.393
9 HG3 ARG 2 1HG ARG 2 -3.587 -1.897 -0.335
10 HD2 ARG 2 2HD ARG 2 -3.639 -3.751 1.247
11 HD3 ARG 2 1HD ARG 2 -4.774 -4.613 0.210
12 HE ARG 2 HE ARG 2 -2.616 -4.062 -1.362
13 HH11 ARG 2 1HH1 ARG 2 -3.183 -5.865 1.643
14 HH12 ARG 2 2HH1 ARG 2 -1.915 -6.968 1.377
15 HH21 ARG 2 1HH2 ARG 2 -0.827 -5.659 -1.727
16 HH22 ARG 2 2HH2 ARG 2 -0.590 -6.856 -0.541
17 H ALA 3 H AZH 3 -3.028 -2.246 2.786
18 HA ALA 3 HA AZH 3 -1.723 0.098 1.739
19 HB1 ALA 3 1HB AZH 3 -0.472 -0.002 4.119
20 HB2 ALA 3 2HB AZH 3 -2.070 -0.527 4.624
21 H THR 4 H THR 4 0.222 -0.366 0.951
22 HA THR 4 HA THR 4 1.067 -3.079 1.324
23 HB THR 4 HB THR 4 2.673 -2.556 -0.546
24 HG1 THR 4 1HG THR 4 2.859 -0.594 -1.163
25 HG21 THR 4 1HG2 THR 4 -0.258 -2.076 -1.100
26 HG22 THR 4 2HG2 THR 4 0.533 -3.649 -0.988
27 HG23 THR 4 3HG2 THR 4 0.954 -2.538 -2.294
28 H LYS 5 H LYS 5 2.628 -3.602 2.619
29 HA LYS 5 HA LYS 5 4.049 -1.520 4.032
30 HB2 LYS 5 2HB LYS 5 4.216 -4.527 4.314
31 HB3 LYS 5 1HB LYS 5 4.919 -3.342 5.410
32 HG2 LYS 5 2HG LYS 5 2.633 -2.525 5.933
33 HG3 LYS 5 1HG LYS 5 1.981 -3.787 4.897
34 HD2 LYS 5 2HD LYS 5 1.869 -4.482 7.218
35 HD3 LYS 5 1HD LYS 5 3.025 -5.489 6.350
36 HE2 LYS 5 2HE LYS 5 3.875 -4.848 8.548
37 HE3 LYS 5 1HE LYS 5 4.876 -4.182 7.269
38 HZ1 LYS 5 1HZ LYS 5 2.816 -2.699 8.821
39 HZ2 LYS 5 2HZ LYS 5 3.735 -2.052 7.564
40 HZ3 LYS 5 3HZ LYS 5 4.489 -2.551 8.970
41 H SER 6 H SER 6 4.389 -3.138 1.240
42 HA SER 6 HA SER 6 7.251 -3.322 1.165
43 HB2 SER 6 2HB SER 6 6.622 -4.020 -1.210
44 HB3 SER 6 1HB SER 6 6.070 -5.071 0.097
45 HG SER 6 HG SER 6 4.649 -3.962 -1.756
46 H ILE 7 H ILE 7 8.288 -2.196 -0.770
47 HA ILE 7 HA ILE 7 7.131 0.457 -1.022
48 HB ILE 7 HB ILE 7 9.422 1.139 -1.836
49 HG12 ILE 7 2HG1 ILE 7 10.214 -1.590 -0.781
50 HG13 ILE 7 1HG1 ILE 7 10.258 -1.099 -2.470
51 HG21 ILE 7 1HG2 ILE 7 9.207 0.049 0.958
52 HG22 ILE 7 2HG2 ILE 7 8.695 1.643 0.407
53 HG23 ILE 7 3HG2 ILE 7 10.407 1.219 0.417
54 HD11 ILE 7 1HD1 ILE 7 11.977 0.555 -1.923
55 HD12 ILE 7 2HD1 ILE 7 12.476 -1.079 -1.475
56 HD13 ILE 7 3HD1 ILE 7 11.923 0.047 -0.236
57 HA PRO 8 HA PRO 8 7.043 2.138 -2.192
58 HB2 PRO 8 2HB PRO 8 5.091 2.981 -4.120
59 HB3 PRO 8 1HB PRO 8 6.736 3.581 -3.915
60 HG2 PRO 8 2HG PRO 8 5.854 2.152 -6.110
61 HG3 PRO 8 1HG PRO 8 7.543 2.279 -5.598
62 HD2 PRO 8 2HD PRO 8 5.580 0.068 -5.132
63 HD3 PRO 8 1HD PRO 8 7.311 -0.027 -5.524
64 HA PRO 9 HA PRO 9 3.220 0.995 -0.194
65 HB2 PRO 9 2HB PRO 9 2.840 3.192 1.332
66 HB3 PRO 9 1HB PRO 9 4.090 1.994 1.691
67 HG2 PRO 9 2HG PRO 9 4.337 4.654 0.364
68 HG3 PRO 9 1HG PRO 9 5.418 3.876 1.533
69 HD2 PRO 9 2HD PRO 9 5.860 3.940 -1.170
70 HD3 PRO 9 1HD PRO 9 6.502 2.684 -0.092
71 H ARG 10 H ARG 10 1.302 1.011 -1.043
72 HA ARG 10 HA ARG 10 0.120 3.505 -2.080
73 HB2 ARG 10 2HB ARG 10 -0.365 0.671 -3.070
74 HB3 ARG 10 1HB ARG 10 -1.111 2.127 -3.709
75 HG2 ARG 10 2HG ARG 10 1.819 1.436 -3.852
76 HG3 ARG 10 1HG ARG 10 0.658 1.309 -5.173
77 HD2 ARG 10 2HD ARG 10 1.399 3.854 -3.735
78 HD3 ARG 10 1HD ARG 10 2.055 3.355 -5.288
79 HE ARG 10 HE ARG 10 -0.615 3.327 -5.688
80 HH11 ARG 10 1HH1 ARG 10 1.640 5.800 -4.556
81 HH12 ARG 10 2HH1 ARG 10 0.705 7.116 -5.088
82 HH21 ARG 10 1HH2 ARG 10 -1.890 5.085 -6.447
83 HH22 ARG 10 2HH2 ARG 10 -1.392 6.699 -6.242
84 H ALA 11 H PRG 11 -1.631 4.052 -0.871
85 HA ALA 11 HA PRG 11 -2.867 1.837 0.557
86 HB1 ALA 11 1HB PRG 11 -3.371 3.254 2.454
87 HB2 ALA 11 2HB PRG 11 -2.654 4.651 1.711
88 H PHE 12 H PHE 12 -4.962 1.803 0.857
89 HA PHE 12 HA PHE 12 -6.565 3.581 -0.860
90 HB2 PHE 12 2HB PHE 12 -6.903 0.609 -0.411
91 HB3 PHE 12 1HB PHE 12 -8.019 1.618 -1.302
92 HD1 PHE 12 1HD PHE 12 -4.633 0.138 -1.336
93 HD2 PHE 12 2HD PHE 12 -7.607 2.219 -3.564
94 HE1 PHE 12 1HE PHE 12 -3.405 -0.332 -3.403
95 HE2 PHE 12 2HE PHE 12 -6.378 1.760 -5.633
96 HZ PHE 12 HZ PHE 12 -4.280 0.482 -5.563
97 HA PRO 13 HA PRO 13 -8.681 4.401 2.968
98 HB2 PRO 13 2HB PRO 13 -11.038 5.341 1.900
99 HB3 PRO 13 1HB PRO 13 -9.570 6.306 2.083
100 HG2 PRO 13 2HG PRO 13 -10.627 4.897 -0.327
101 HG3 PRO 13 1HG PRO 13 -9.864 6.493 -0.210
102 HD2 PRO 13 2HD PRO 13 -8.521 4.352 -1.113
103 HD3 PRO 13 1HD PRO 13 -7.726 5.603 -0.139
104 H ASP 14 H ASP 14 -9.947 2.255 0.550
105 HA ASP 14 HA ASP 14 -12.161 1.348 2.122
106 HB2 ASP 14 2HB ASP 14 -12.448 -0.440 0.489
107 HB3 ASP 14 1HB ASP 14 -12.152 1.073 -0.349
108 H1 WMH 101 1HG AZH 3 -2.250 1.843 4.889
109 H2 WMH 101 2HG AZH 3 -2.874 1.524 3.299
110 H5 WMH 101 HD PRG 11 0.089 4.569 1.343
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -8.918 0.527 2.086
2 HA2 GLY 1 2HA GLY 1 -7.861 0.062 4.402
3 HA3 GLY 1 1HA GLY 1 -9.049 -1.229 4.437
4 H ARG 2 H ARG 2 -6.319 0.016 2.597
5 HA ARG 2 HA ARG 2 -5.158 -2.563 2.513
6 HB2 ARG 2 2HB ARG 2 -6.638 -2.843 0.576
7 HB3 ARG 2 1HB ARG 2 -6.052 -1.341 -0.120
8 HG2 ARG 2 2HG ARG 2 -3.825 -2.306 -0.374
9 HG3 ARG 2 1HG ARG 2 -4.387 -3.808 0.356
10 HD2 ARG 2 2HD ARG 2 -5.952 -4.130 -1.493
11 HD3 ARG 2 1HD ARG 2 -5.451 -2.593 -2.186
12 HE ARG 2 HE ARG 2 -3.265 -3.541 -2.544
13 HH11 ARG 2 1HH1 ARG 2 -5.818 -5.923 -1.873
14 HH12 ARG 2 2HH1 ARG 2 -5.006 -7.177 -2.712
15 HH21 ARG 2 1HH2 ARG 2 -2.221 -5.276 -3.678
16 HH22 ARG 2 2HH2 ARG 2 -2.959 -6.815 -3.739
17 H ALA 3 H AZH 3 -3.332 -1.902 3.273
18 HA ALA 3 HA AZH 3 -1.862 0.168 1.824
19 HB1 ALA 3 1HB AZH 3 -0.656 0.264 4.208
20 HB2 ALA 3 2HB AZH 3 -2.248 -0.227 4.760
21 H THR 4 H THR 4 0.064 -0.462 1.100
22 HA THR 4 HA THR 4 0.757 -3.178 1.725
23 HB THR 4 HB THR 4 2.329 -2.982 -0.221
24 HG1 THR 4 1HG THR 4 2.413 -1.210 -1.385
25 HG21 THR 4 1HG2 THR 4 -0.561 -2.300 -0.765
26 HG22 THR 4 2HG2 THR 4 0.088 -3.916 -0.496
27 HG23 THR 4 3HG2 THR 4 0.565 -3.002 -1.927
28 H LYS 5 H LYS 5 2.716 -3.795 2.498
29 HA LYS 5 HA LYS 5 4.230 -1.685 3.805
30 HB2 LYS 5 2HB LYS 5 4.377 -4.690 4.108
31 HB3 LYS 5 1HB LYS 5 5.405 -3.561 4.979
32 HG2 LYS 5 2HG LYS 5 3.346 -2.560 5.972
33 HG3 LYS 5 1HG LYS 5 2.415 -3.842 5.196
34 HD2 LYS 5 2HD LYS 5 3.638 -5.524 6.452
35 HD3 LYS 5 1HD LYS 5 4.662 -4.279 7.165
36 HE2 LYS 5 2HE LYS 5 2.992 -4.897 8.778
37 HE3 LYS 5 1HE LYS 5 2.630 -3.277 8.198
38 HZ1 LYS 5 1HZ LYS 5 1.291 -5.787 7.361
39 HZ2 LYS 5 2HZ LYS 5 0.924 -4.264 6.728
40 HZ3 LYS 5 3HZ LYS 5 0.643 -4.601 8.359
41 H SER 6 H SER 6 4.229 -3.201 0.922
42 HA SER 6 HA SER 6 7.034 -3.441 0.553
43 HB2 SER 6 2HB SER 6 6.125 -3.723 -1.870
44 HB3 SER 6 1HB SER 6 5.775 -4.974 -0.674
45 HG SER 6 HG SER 6 4.101 -3.052 -1.811
46 H ILE 7 H ILE 7 8.040 -2.173 -1.282
47 HA ILE 7 HA ILE 7 7.256 0.637 -0.973
48 HB ILE 7 HB ILE 7 9.937 -0.549 -1.786
49 HG12 ILE 7 2HG1 ILE 7 9.476 -0.971 0.578
50 HG13 ILE 7 1HG1 ILE 7 10.758 0.219 0.407
51 HG21 ILE 7 1HG2 ILE 7 9.215 2.325 -1.218
52 HG22 ILE 7 2HG2 ILE 7 9.602 1.638 -2.796
53 HG23 ILE 7 3HG2 ILE 7 10.838 1.716 -1.539
54 HD11 ILE 7 1HD1 ILE 7 9.117 2.001 0.880
55 HD12 ILE 7 2HD1 ILE 7 9.282 0.845 2.198
56 HD13 ILE 7 3HD1 ILE 7 7.882 0.763 1.127
57 HA PRO 8 HA PRO 8 7.123 2.499 -1.919
58 HB2 PRO 8 2HB PRO 8 5.070 3.516 -3.703
59 HB3 PRO 8 1HB PRO 8 6.659 4.199 -3.369
60 HG2 PRO 8 2HG PRO 8 5.982 3.137 -5.781
61 HG3 PRO 8 1HG PRO 8 7.638 3.130 -5.152
62 HD2 PRO 8 2HD PRO 8 5.597 0.931 -5.130
63 HD3 PRO 8 1HD PRO 8 7.327 0.852 -5.529
64 HA PRO 9 HA PRO 9 3.515 0.878 0.142
65 HB2 PRO 9 2HB PRO 9 2.962 3.039 1.753
66 HB3 PRO 9 1HB PRO 9 4.188 1.823 2.113
67 HG2 PRO 9 2HG PRO 9 4.504 4.544 0.929
68 HG3 PRO 9 1HG PRO 9 5.542 3.708 2.094
69 HD2 PRO 9 2HD PRO 9 6.165 3.914 -0.524
70 HD3 PRO 9 1HD PRO 9 6.623 2.504 0.452
71 H ARG 10 H ARG 10 1.640 0.734 -0.833
72 HA ARG 10 HA ARG 10 0.376 3.167 -1.885
73 HB2 ARG 10 2HB ARG 10 0.111 0.305 -2.825
74 HB3 ARG 10 1HB ARG 10 -0.775 1.669 -3.484
75 HG2 ARG 10 2HG ARG 10 2.204 1.239 -3.598
76 HG3 ARG 10 1HG ARG 10 1.059 1.108 -4.936
77 HD2 ARG 10 2HD ARG 10 0.500 3.478 -4.670
78 HD3 ARG 10 1HD ARG 10 1.665 3.599 -3.354
79 HE ARG 10 HE ARG 10 2.792 2.625 -5.773
80 HH11 ARG 10 1HH1 ARG 10 1.905 5.550 -3.980
81 HH12 ARG 10 2HH1 ARG 10 2.917 6.596 -4.840
82 HH21 ARG 10 1HH2 ARG 10 4.263 4.073 -6.969
83 HH22 ARG 10 2HH2 ARG 10 4.285 5.727 -6.585
84 H ALA 11 H PRG 11 -1.566 3.687 -1.103
85 HA ALA 11 HA PRG 11 -2.851 1.642 0.518
86 HB1 ALA 11 1HB PRG 11 -3.506 3.256 2.188
87 HB2 ALA 11 2HB PRG 11 -2.792 4.581 1.325
88 H PHE 12 H PHE 12 -4.997 1.706 0.684
89 HA PHE 12 HA PHE 12 -6.419 3.311 -1.312
90 HB2 PHE 12 2HB PHE 12 -6.854 0.372 -0.704
91 HB3 PHE 12 1HB PHE 12 -7.845 1.336 -1.780
92 HD1 PHE 12 1HD PHE 12 -7.112 1.870 -4.004
93 HD2 PHE 12 2HD PHE 12 -4.544 -0.250 -1.358
94 HE1 PHE 12 1HE PHE 12 -5.658 1.289 -5.889
95 HE2 PHE 12 2HE PHE 12 -3.076 -0.834 -3.249
96 HZ PHE 12 HZ PHE 12 -3.631 -0.067 -5.515
97 HA PRO 13 HA PRO 13 -8.966 4.969 1.854
98 HB2 PRO 13 2HB PRO 13 -11.146 4.056 0.040
99 HB3 PRO 13 1HB PRO 13 -10.974 5.592 0.887
100 HG2 PRO 13 2HG PRO 13 -10.328 5.441 -1.666
101 HG3 PRO 13 1HG PRO 13 -9.295 6.340 -0.541
102 HD2 PRO 13 2HD PRO 13 -8.827 3.709 -1.835
103 HD3 PRO 13 1HD PRO 13 -7.667 4.947 -1.319
104 H ASP 14 H ASP 14 -10.554 2.028 0.551
105 HA ASP 14 HA ASP 14 -12.062 1.683 2.927
106 HB2 ASP 14 2HB ASP 14 -13.007 -0.315 2.013
107 HB3 ASP 14 1HB ASP 14 -12.833 0.832 0.696
108 H1 WMH 101 1HG AZH 3 -2.473 2.145 4.826
109 H2 WMH 101 2HG AZH 3 -3.028 1.709 3.244
110 H5 WMH 101 HD PRG 11 -0.049 4.619 1.160
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