Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
641067 | 6imh RC | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 101 -10.314 -6.424 0.379
2 H2 ACE 1 H2 ACE 101 -10.320 -4.782 -0.266
3 H3 ACE 1 H3 ACE 101 -10.262 -5.044 1.477
4 H GLY 2 H1 GLY 1 -8.359 -7.125 1.534
5 HA2 GLY 2 HA2 GLY 1 -6.085 -7.449 1.653
6 HA3 GLY 2 HA3 GLY 1 -6.001 -6.646 0.087
7 H CYS 3 H CYS 2 -4.411 -5.181 0.255
8 HA CYS 3 HA CYS 2 -3.690 -3.888 2.633
9 HB2 CYS 3 HB2 CYS 2 -2.512 -4.177 0.206
10 HB3 CYS 3 HB3 CYS 2 -3.011 -2.486 0.134
11 HA PRO 4 HA PRO 3 -6.867 -0.744 2.714
12 HB2 PRO 4 HB2 PRO 3 -5.663 0.965 4.495
13 HB3 PRO 4 HB3 PRO 3 -6.487 -0.532 4.967
14 HG2 PRO 4 HG2 PRO 3 -3.579 0.008 4.645
15 HG3 PRO 4 HG3 PRO 3 -4.423 -0.977 5.855
16 HD2 PRO 4 HD2 PRO 3 -3.130 -2.042 3.711
17 HD3 PRO 4 HD3 PRO 3 -4.533 -2.816 4.476
18 H CYS 5 H CYS 4 -3.645 -0.229 1.636
19 HA CYS 5 HA CYS 4 -4.079 2.554 0.893
20 HB2 CYS 5 HB2 CYS 4 -1.756 0.679 0.391
21 HB3 CYS 5 HB3 CYS 4 -1.779 2.393 -0.027
22 H GLU 6 H GLU 5 -4.843 3.212 -1.009
23 HA GLU 6 HA GLU 5 -4.686 1.386 -3.288
24 HB2 GLU 6 HB2 GLU 5 -6.881 1.080 -2.339
25 HB3 GLU 6 HB3 GLU 5 -7.198 2.810 -2.470
26 HG2 GLU 6 HG2 GLU 5 -6.940 2.694 -4.910
27 HG3 GLU 6 HG3 GLU 5 -6.527 0.983 -4.806
28 HA PRO 7 HA PRO 6 -3.860 1.428 -5.182
29 HB2 PRO 7 HB2 PRO 6 -1.369 2.108 -6.057
30 HB3 PRO 7 HB3 PRO 6 -2.841 2.304 -7.025
31 HG2 PRO 7 HG2 PRO 6 -1.377 4.338 -5.415
32 HG3 PRO 7 HG3 PRO 6 -2.084 4.483 -7.027
33 HD2 PRO 7 HD2 PRO 6 -3.320 5.469 -4.838
34 HD3 PRO 7 HD3 PRO 6 -4.240 4.770 -6.190
35 H SER 8 H SER 7 -2.399 -0.146 -4.363
36 HA SER 8 HA SER 7 -1.621 0.239 -1.656
37 HB2 SER 8 HB2 SER 7 -0.827 -2.038 -1.754
38 HB3 SER 8 HB3 SER 7 -2.330 -1.943 -2.669
39 HG SER 8 HG SER 7 0.334 -2.052 -3.611
40 H TYR 9 H TYR 8 -0.009 0.668 -4.685
41 HA TYR 9 HA TYR 8 2.662 0.330 -3.940
42 HB2 TYR 9 HB2 TYR 8 3.082 1.064 -6.029
43 HB3 TYR 9 HB3 TYR 8 1.329 1.128 -6.223
44 HD1 TYR 9 HD1 TYR 8 4.382 3.078 -5.665
45 HD2 TYR 9 HD2 TYR 8 0.118 3.250 -5.974
46 HE1 TYR 9 HE1 TYR 8 4.501 5.542 -5.902
47 HE2 TYR 9 HE2 TYR 8 0.217 5.708 -6.211
48 HH TYR 9 HH TYR 8 3.230 7.372 -6.699
49 H LEU 10 H LEU 9 0.388 2.721 -2.985
50 HA LEU 10 HA LEU 9 2.165 4.860 -2.447
51 HB2 LEU 10 HB2 LEU 9 -0.569 4.142 -1.389
52 HB3 LEU 10 HB3 LEU 9 0.284 5.613 -0.924
53 HG LEU 10 HG LEU 9 -0.228 4.856 -3.805
54 HD11 LEU 10 HD11 LEU 9 -2.017 6.680 -3.624
55 HD12 LEU 10 HD12 LEU 9 -1.880 6.503 -1.875
56 HD13 LEU 10 HD13 LEU 9 -2.408 5.140 -2.862
57 HD21 LEU 10 HD21 LEU 9 0.106 7.395 -4.018
58 HD22 LEU 10 HD22 LEU 9 1.542 6.451 -3.625
59 HD23 LEU 10 HD23 LEU 9 0.703 7.347 -2.359
60 H CYS 11 H CYS 10 1.396 1.918 -0.778
61 HA CYS 11 HA CYS 10 3.021 2.840 1.518
62 HB2 CYS 11 HB2 CYS 10 0.825 0.754 1.569
63 HB3 CYS 11 HB3 CYS 10 1.721 1.384 2.951
64 HA PRO 12 HA PRO 11 5.137 -0.709 -0.651
65 HB2 PRO 12 HB2 PRO 11 7.642 0.437 -0.430
66 HB3 PRO 12 HB3 PRO 11 6.576 0.620 -1.836
67 HG2 PRO 12 HG2 PRO 11 7.097 2.497 0.407
68 HG3 PRO 12 HG3 PRO 11 6.786 2.830 -1.306
69 HD2 PRO 12 HD2 PRO 11 4.892 3.159 0.636
70 HD3 PRO 12 HD3 PRO 11 4.494 2.755 -1.046
71 H TRP 13 H TRP 12 5.629 1.059 2.312
72 HA TRP 13 HA TRP 12 7.481 -0.739 3.526
73 HB2 TRP 13 HB2 TRP 12 6.829 0.420 5.625
74 HB3 TRP 13 HB3 TRP 12 7.265 1.541 4.333
75 HD1 TRP 13 HD1 TRP 12 4.202 0.105 6.137
76 HE1 TRP 13 HE1 TRP 12 2.220 1.718 5.797
77 HE3 TRP 13 HE3 TRP 12 6.318 3.432 2.892
78 HZ2 TRP 13 HZ2 TRP 12 1.617 4.113 4.354
79 HZ3 TRP 13 HZ3 TRP 12 5.022 5.372 2.058
80 HH2 TRP 13 HH2 TRP 12 2.675 5.716 2.783
81 H LEU 14 H LEU 13 4.162 -0.984 2.810
82 HA LEU 14 HA LEU 13 3.628 -2.789 5.008
83 HB2 LEU 14 HB2 LEU 13 1.991 -1.276 3.089
84 HB3 LEU 14 HB3 LEU 13 1.363 -2.863 3.544
85 HG LEU 14 HG LEU 13 2.317 -0.834 5.578
86 HD11 LEU 14 HD11 LEU 13 0.381 0.001 4.193
87 HD12 LEU 14 HD12 LEU 13 0.013 -0.191 5.908
88 HD13 LEU 14 HD13 LEU 13 -0.539 -1.398 4.746
89 HD21 LEU 14 HD21 LEU 13 2.262 -3.013 6.543
90 HD22 LEU 14 HD22 LEU 13 0.793 -3.450 5.673
91 HD23 LEU 14 HD23 LEU 13 0.718 -2.297 7.005
92 HA PRO 15 HA PRO 14 5.059 -6.163 2.334
93 HB2 PRO 15 HB2 PRO 14 3.661 -7.743 4.447
94 HB3 PRO 15 HB3 PRO 14 5.307 -7.919 3.808
95 HG2 PRO 15 HG2 PRO 14 4.859 -6.853 6.202
96 HG3 PRO 15 HG3 PRO 14 6.152 -6.252 5.148
97 HD2 PRO 15 HD2 PRO 14 3.505 -5.029 5.773
98 HD3 PRO 15 HD3 PRO 14 5.065 -4.254 5.423
99 H GLY 16 H GLY 15 1.811 -6.021 3.759
100 HA2 GLY 16 HA2 GLY 15 0.553 -7.870 2.042
101 HA3 GLY 16 HA3 GLY 15 -0.266 -6.596 2.942
102 H CYS 17 H CYS 16 1.103 -4.390 1.771
103 HA CYS 17 HA CYS 16 -0.522 -3.889 -0.461
104 HB2 CYS 17 HB2 CYS 16 1.839 -2.542 0.778
105 HB3 CYS 17 HB3 CYS 16 1.340 -2.041 -0.834
106 HN1 NH2 18 HN1 NH2 102 -0.296 -4.566 -2.574
107 HN2 NH2 18 HN2 NH2 102 1.155 -5.112 -3.279
Start of MODEL 2
1 H1 ACE 1 H1 ACE 101 -8.730 -9.258 3.066
2 H2 ACE 1 H2 ACE 101 -8.768 -7.793 4.048
3 H3 ACE 1 H3 ACE 101 -7.711 -9.132 4.499
4 H GLY 2 H1 GLY 1 -8.351 -7.003 1.698
5 HA2 GLY 2 HA2 GLY 1 -5.661 -7.276 0.698
6 HA3 GLY 2 HA3 GLY 1 -6.911 -6.209 0.065
7 H CYS 3 H CYS 2 -4.488 -5.114 0.115
8 HA CYS 3 HA CYS 2 -3.727 -3.916 2.561
9 HB2 CYS 3 HB2 CYS 2 -2.585 -4.129 0.084
10 HB3 CYS 3 HB3 CYS 2 -3.041 -2.423 0.122
11 HA PRO 4 HA PRO 3 -6.877 -0.737 2.731
12 HB2 PRO 4 HB2 PRO 3 -5.667 0.997 4.471
13 HB3 PRO 4 HB3 PRO 3 -6.439 -0.518 4.980
14 HG2 PRO 4 HG2 PRO 3 -3.553 0.078 4.519
15 HG3 PRO 4 HG3 PRO 3 -4.320 -0.863 5.814
16 HD2 PRO 4 HD2 PRO 3 -3.120 -2.052 3.689
17 HD3 PRO 4 HD3 PRO 3 -4.534 -2.762 4.500
18 H CYS 5 H CYS 4 -3.612 -0.136 1.733
19 HA CYS 5 HA CYS 4 -4.108 2.609 0.917
20 HB2 CYS 5 HB2 CYS 4 -1.758 0.760 0.435
21 HB3 CYS 5 HB3 CYS 4 -1.811 2.464 -0.021
22 H GLU 6 H GLU 5 -4.924 3.213 -0.985
23 HA GLU 6 HA GLU 5 -4.708 1.365 -3.266
24 HB2 GLU 6 HB2 GLU 5 -6.942 1.084 -2.313
25 HB3 GLU 6 HB3 GLU 5 -7.229 2.820 -2.447
26 HG2 GLU 6 HG2 GLU 5 -6.950 2.706 -4.879
27 HG3 GLU 6 HG3 GLU 5 -6.585 0.984 -4.773
28 HA PRO 7 HA PRO 6 -3.838 1.415 -5.182
29 HB2 PRO 7 HB2 PRO 6 -1.370 2.167 -6.106
30 HB3 PRO 7 HB3 PRO 6 -2.865 2.385 -7.037
31 HG2 PRO 7 HG2 PRO 6 -1.395 4.367 -5.360
32 HG3 PRO 7 HG3 PRO 6 -2.090 4.562 -6.974
33 HD2 PRO 7 HD2 PRO 6 -3.376 5.474 -4.792
34 HD3 PRO 7 HD3 PRO 6 -4.267 4.772 -6.165
35 H SER 8 H SER 7 -2.426 -0.129 -4.328
36 HA SER 8 HA SER 7 -1.569 0.263 -1.658
37 HB2 SER 8 HB2 SER 7 -0.750 -2.007 -1.790
38 HB3 SER 8 HB3 SER 7 -2.279 -1.918 -2.661
39 HG SER 8 HG SER 7 -0.339 -2.977 -3.686
40 H TYR 9 H TYR 8 0.003 0.759 -4.705
41 HA TYR 9 HA TYR 8 2.684 0.401 -3.963
42 HB2 TYR 9 HB2 TYR 8 3.125 1.146 -6.044
43 HB3 TYR 9 HB3 TYR 8 1.374 1.180 -6.257
44 HD1 TYR 9 HD1 TYR 8 4.391 3.176 -5.752
45 HD2 TYR 9 HD2 TYR 8 0.112 3.290 -5.952
46 HE1 TYR 9 HE1 TYR 8 4.469 5.641 -6.001
47 HE2 TYR 9 HE2 TYR 8 0.178 5.747 -6.203
48 HH TYR 9 HH TYR 8 2.040 7.448 -7.130
49 H LEU 10 H LEU 9 0.412 2.790 -2.995
50 HA LEU 10 HA LEU 9 2.200 4.929 -2.434
51 HB2 LEU 10 HB2 LEU 9 -0.550 4.228 -1.392
52 HB3 LEU 10 HB3 LEU 9 0.315 5.696 -0.933
53 HG LEU 10 HG LEU 9 -0.187 4.929 -3.813
54 HD11 LEU 10 HD11 LEU 9 -1.836 6.636 -1.927
55 HD12 LEU 10 HD12 LEU 9 -2.367 5.209 -2.817
56 HD13 LEU 10 HD13 LEU 9 -1.997 6.700 -3.683
57 HD21 LEU 10 HD21 LEU 9 0.152 7.451 -4.052
58 HD22 LEU 10 HD22 LEU 9 1.585 6.530 -3.603
59 HD23 LEU 10 HD23 LEU 9 0.704 7.442 -2.378
60 H CYS 11 H CYS 10 1.418 1.966 -0.812
61 HA CYS 11 HA CYS 10 3.022 2.854 1.514
62 HB2 CYS 11 HB2 CYS 10 0.769 0.826 1.525
63 HB3 CYS 11 HB3 CYS 10 1.677 1.404 2.925
64 HA PRO 12 HA PRO 11 5.033 -0.745 -0.679
65 HB2 PRO 12 HB2 PRO 11 7.557 0.345 -0.590
66 HB3 PRO 12 HB3 PRO 11 6.417 0.600 -1.925
67 HG2 PRO 12 HG2 PRO 11 7.075 2.383 0.365
68 HG3 PRO 12 HG3 PRO 11 6.771 2.788 -1.333
69 HD2 PRO 12 HD2 PRO 11 4.891 3.134 0.608
70 HD3 PRO 12 HD3 PRO 11 4.467 2.746 -1.071
71 H TRP 13 H TRP 12 5.591 1.050 2.247
72 HA TRP 13 HA TRP 12 7.461 -0.737 3.444
73 HB2 TRP 13 HB2 TRP 12 6.797 0.410 5.560
74 HB3 TRP 13 HB3 TRP 12 7.273 1.525 4.280
75 HD1 TRP 13 HD1 TRP 12 4.153 0.137 6.029
76 HE1 TRP 13 HE1 TRP 12 2.209 1.793 5.672
77 HE3 TRP 13 HE3 TRP 12 6.389 3.448 2.849
78 HZ2 TRP 13 HZ2 TRP 12 1.677 4.208 4.235
79 HZ3 TRP 13 HZ3 TRP 12 5.145 5.418 2.006
80 HH2 TRP 13 HH2 TRP 12 2.793 5.803 2.695
81 H LEU 14 H LEU 13 4.106 -0.980 2.800
82 HA LEU 14 HA LEU 13 3.619 -2.779 5.027
83 HB2 LEU 14 HB2 LEU 13 1.960 -1.337 3.051
84 HB3 LEU 14 HB3 LEU 13 1.350 -2.912 3.569
85 HG LEU 14 HG LEU 13 2.282 -0.793 5.521
86 HD11 LEU 14 HD11 LEU 13 -0.030 -0.157 5.821
87 HD12 LEU 14 HD12 LEU 13 -0.569 -1.413 4.707
88 HD13 LEU 14 HD13 LEU 13 0.340 -0.028 4.102
89 HD21 LEU 14 HD21 LEU 13 2.244 -2.945 6.556
90 HD22 LEU 14 HD22 LEU 13 0.762 -3.405 5.718
91 HD23 LEU 14 HD23 LEU 13 0.710 -2.205 7.009
92 HA PRO 15 HA PRO 14 5.106 -6.205 2.434
93 HB2 PRO 15 HB2 PRO 14 3.672 -7.743 4.564
94 HB3 PRO 15 HB3 PRO 14 5.307 -7.977 3.913
95 HG2 PRO 15 HG2 PRO 14 4.963 -6.875 6.283
96 HG3 PRO 15 HG3 PRO 14 6.195 -6.249 5.168
97 HD2 PRO 15 HD2 PRO 14 3.514 -5.097 5.853
98 HD3 PRO 15 HD3 PRO 14 5.051 -4.264 5.521
99 H GLY 16 H GLY 15 1.849 -6.082 3.824
100 HA2 GLY 16 HA2 GLY 15 0.611 -7.950 2.116
101 HA3 GLY 16 HA3 GLY 15 -0.216 -6.668 2.997
102 H CYS 17 H CYS 16 1.121 -4.460 1.815
103 HA CYS 17 HA CYS 16 -0.490 -3.994 -0.434
104 HB2 CYS 17 HB2 CYS 16 1.861 -2.628 0.801
105 HB3 CYS 17 HB3 CYS 16 1.376 -2.148 -0.824
106 HN1 NH2 18 HN1 NH2 102 -0.267 -4.745 -2.517
107 HN2 NH2 18 HN2 NH2 102 1.189 -5.277 -3.218
Start of MODEL 3
1 H1 ACE 1 H1 ACE 101 -9.822 -8.007 2.421
2 H2 ACE 1 H2 ACE 101 -10.789 -6.623 1.910
3 H3 ACE 1 H3 ACE 101 -9.831 -6.533 3.389
4 H GLY 2 H1 GLY 1 -7.465 -7.736 2.432
5 HA2 GLY 2 HA2 GLY 1 -5.606 -7.388 1.087
6 HA3 GLY 2 HA3 GLY 1 -6.577 -6.343 0.055
7 H CYS 3 H CYS 2 -4.376 -5.195 0.224
8 HA CYS 3 HA CYS 2 -3.666 -3.895 2.623
9 HB2 CYS 3 HB2 CYS 2 -2.474 -4.161 0.185
10 HB3 CYS 3 HB3 CYS 2 -3.001 -2.475 0.130
11 HA PRO 4 HA PRO 3 -6.877 -0.751 2.673
12 HB2 PRO 4 HB2 PRO 3 -5.740 0.997 4.447
13 HB3 PRO 4 HB3 PRO 3 -6.503 -0.530 4.934
14 HG2 PRO 4 HG2 PRO 3 -3.616 0.107 4.556
15 HG3 PRO 4 HG3 PRO 3 -4.408 -0.846 5.827
16 HD2 PRO 4 HD2 PRO 3 -3.125 -2.008 3.728
17 HD3 PRO 4 HD3 PRO 3 -4.538 -2.751 4.513
18 H CYS 5 H CYS 4 -3.615 -0.158 1.712
19 HA CYS 5 HA CYS 4 -4.081 2.588 0.901
20 HB2 CYS 5 HB2 CYS 4 -1.748 0.705 0.420
21 HB3 CYS 5 HB3 CYS 4 -1.773 2.412 -0.032
22 H GLU 6 H GLU 5 -4.916 3.204 -0.963
23 HA GLU 6 HA GLU 5 -4.722 1.374 -3.250
24 HB2 GLU 6 HB2 GLU 5 -7.212 2.808 -2.362
25 HB3 GLU 6 HB3 GLU 5 -7.035 1.912 -3.869
26 HG2 GLU 6 HG2 GLU 5 -6.494 -0.121 -2.636
27 HG3 GLU 6 HG3 GLU 5 -6.611 0.749 -1.108
28 HA PRO 7 HA PRO 6 -3.848 1.395 -5.156
29 HB2 PRO 7 HB2 PRO 6 -1.355 2.132 -6.061
30 HB3 PRO 7 HB3 PRO 6 -2.831 2.276 -7.024
31 HG2 PRO 7 HG2 PRO 6 -1.377 4.368 -5.486
32 HG3 PRO 7 HG3 PRO 6 -2.154 4.469 -7.074
33 HD2 PRO 7 HD2 PRO 6 -3.326 5.443 -4.828
34 HD3 PRO 7 HD3 PRO 6 -4.269 4.756 -6.169
35 H SER 8 H SER 7 -2.408 -0.153 -4.339
36 HA SER 8 HA SER 7 -1.590 0.228 -1.646
37 HB2 SER 8 HB2 SER 7 -0.796 -2.035 -1.763
38 HB3 SER 8 HB3 SER 7 -2.307 -1.940 -2.669
39 HG SER 8 HG SER 7 -0.810 -3.020 -3.917
40 H TYR 9 H TYR 8 0.000 0.702 -4.686
41 HA TYR 9 HA TYR 8 2.676 0.351 -3.919
42 HB2 TYR 9 HB2 TYR 8 3.128 1.080 -6.008
43 HB3 TYR 9 HB3 TYR 8 1.378 1.121 -6.231
44 HD1 TYR 9 HD1 TYR 8 4.404 3.114 -5.673
45 HD2 TYR 9 HD2 TYR 8 0.130 3.230 -5.999
46 HE1 TYR 9 HE1 TYR 8 4.489 5.579 -5.943
47 HE2 TYR 9 HE2 TYR 8 0.207 5.684 -6.269
48 HH TYR 9 HH TYR 8 2.692 7.541 -5.432
49 H LEU 10 H LEU 9 0.382 2.740 -2.995
50 HA LEU 10 HA LEU 9 2.164 4.885 -2.439
51 HB2 LEU 10 HB2 LEU 9 -0.585 4.192 -1.400
52 HB3 LEU 10 HB3 LEU 9 0.278 5.658 -0.937
53 HG LEU 10 HG LEU 9 -0.251 4.888 -3.815
54 HD11 LEU 10 HD11 LEU 9 -2.403 5.228 -2.778
55 HD12 LEU 10 HD12 LEU 9 -2.017 6.695 -3.679
56 HD13 LEU 10 HD13 LEU 9 -1.823 6.659 -1.927
57 HD21 LEU 10 HD21 LEU 9 0.135 7.427 -4.048
58 HD22 LEU 10 HD22 LEU 9 1.553 6.448 -3.687
59 HD23 LEU 10 HD23 LEU 9 0.768 7.366 -2.403
60 H CYS 11 H CYS 10 1.437 1.921 -0.814
61 HA CYS 11 HA CYS 10 3.028 2.845 1.505
62 HB2 CYS 11 HB2 CYS 10 0.808 0.787 1.531
63 HB3 CYS 11 HB3 CYS 10 1.714 1.382 2.925
64 HA PRO 12 HA PRO 11 5.107 -0.738 -0.666
65 HB2 PRO 12 HB2 PRO 11 7.618 0.373 -0.536
66 HB3 PRO 12 HB3 PRO 11 6.492 0.639 -1.884
67 HG2 PRO 12 HG2 PRO 11 7.087 2.384 0.459
68 HG3 PRO 12 HG3 PRO 11 6.843 2.822 -1.244
69 HD2 PRO 12 HD2 PRO 11 4.894 3.143 0.613
70 HD3 PRO 12 HD3 PRO 11 4.526 2.735 -1.071
71 H TRP 13 H TRP 12 5.589 1.037 2.282
72 HA TRP 13 HA TRP 12 7.466 -0.751 3.487
73 HB2 TRP 13 HB2 TRP 12 6.802 0.398 5.597
74 HB3 TRP 13 HB3 TRP 12 7.269 1.520 4.318
75 HD1 TRP 13 HD1 TRP 12 4.177 0.135 6.108
76 HE1 TRP 13 HE1 TRP 12 2.217 1.769 5.749
77 HE3 TRP 13 HE3 TRP 12 6.352 3.417 2.860
78 HZ2 TRP 13 HZ2 TRP 12 1.653 4.165 4.293
79 HZ3 TRP 13 HZ3 TRP 12 5.088 5.373 2.014
80 HH2 TRP 13 HH2 TRP 12 2.742 5.751 2.725
81 H LEU 14 H LEU 13 4.126 -0.976 2.794
82 HA LEU 14 HA LEU 13 3.614 -2.780 5.018
83 HB2 LEU 14 HB2 LEU 13 1.966 -1.307 3.065
84 HB3 LEU 14 HB3 LEU 13 1.345 -2.886 3.556
85 HG LEU 14 HG LEU 13 2.290 -0.806 5.537
86 HD11 LEU 14 HD11 LEU 13 -0.109 -0.311 5.897
87 HD12 LEU 14 HD12 LEU 13 -0.519 -1.370 4.547
88 HD13 LEU 14 HD13 LEU 13 0.404 0.106 4.261
89 HD21 LEU 14 HD21 LEU 13 0.755 -3.412 5.709
90 HD22 LEU 14 HD22 LEU 13 0.714 -2.227 7.012
91 HD23 LEU 14 HD23 LEU 13 2.240 -2.972 6.548
92 HA PRO 15 HA PRO 14 5.063 -6.205 2.400
93 HB2 PRO 15 HB2 PRO 14 3.600 -7.756 4.496
94 HB3 PRO 15 HB3 PRO 14 5.249 -7.976 3.873
95 HG2 PRO 15 HG2 PRO 14 4.819 -6.896 6.255
96 HG3 PRO 15 HG3 PRO 14 6.119 -6.307 5.203
97 HD2 PRO 15 HD2 PRO 14 3.468 -5.059 5.816
98 HD3 PRO 15 HD3 PRO 14 5.037 -4.280 5.492
99 H GLY 16 H GLY 15 1.800 -6.042 3.772
100 HA2 GLY 16 HA2 GLY 15 0.542 -7.875 2.041
101 HA3 GLY 16 HA3 GLY 15 -0.268 -6.592 2.935
102 H CYS 17 H CYS 16 1.098 -4.395 1.795
103 HA CYS 17 HA CYS 16 -0.491 -3.876 -0.458
104 HB2 CYS 17 HB2 CYS 16 1.850 -2.543 0.827
105 HB3 CYS 17 HB3 CYS 16 1.393 -2.037 -0.796
106 HN1 NH2 18 HN1 NH2 102 -0.258 -4.591 -2.548
107 HN2 NH2 18 HN2 NH2 102 1.204 -5.115 -3.250
Start of MODEL 4
1 H1 ACE 1 H1 ACE 101 -7.704 -8.222 4.822
2 H2 ACE 1 H2 ACE 101 -7.834 -9.509 3.623
3 H3 ACE 1 H3 ACE 101 -9.188 -8.409 3.891
4 H GLY 2 H1 GLY 1 -5.797 -8.496 2.821
5 HA2 GLY 2 HA2 GLY 1 -4.877 -7.491 0.927
6 HA3 GLY 2 HA3 GLY 1 -6.405 -6.663 0.649
7 H CYS 3 H CYS 2 -4.245 -5.166 0.260
8 HA CYS 3 HA CYS 2 -3.409 -3.867 2.681
9 HB2 CYS 3 HB2 CYS 2 -2.231 -4.149 0.250
10 HB3 CYS 3 HB3 CYS 2 -2.875 -2.512 0.116
11 HA PRO 4 HA PRO 3 -6.810 -0.934 2.619
12 HB2 PRO 4 HB2 PRO 3 -5.865 0.850 4.445
13 HB3 PRO 4 HB3 PRO 3 -6.466 -0.759 4.900
14 HG2 PRO 4 HG2 PRO 3 -3.655 0.171 4.524
15 HG3 PRO 4 HG3 PRO 3 -4.344 -0.848 5.801
16 HD2 PRO 4 HD2 PRO 3 -2.973 -1.869 3.690
17 HD3 PRO 4 HD3 PRO 3 -4.284 -2.754 4.500
18 H CYS 5 H CYS 4 -3.584 -0.204 1.663
19 HA CYS 5 HA CYS 4 -4.111 2.549 0.920
20 HB2 CYS 5 HB2 CYS 4 -1.751 0.720 0.419
21 HB3 CYS 5 HB3 CYS 4 -1.806 2.420 -0.050
22 H GLU 6 H GLU 5 -4.881 3.238 -0.979
23 HA GLU 6 HA GLU 5 -4.696 1.431 -3.285
24 HB2 GLU 6 HB2 GLU 5 -6.916 1.123 -2.379
25 HB3 GLU 6 HB3 GLU 5 -7.217 2.860 -2.450
26 HG2 GLU 6 HG2 GLU 5 -6.935 2.835 -4.889
27 HG3 GLU 6 HG3 GLU 5 -6.528 1.120 -4.844
28 HA PRO 7 HA PRO 6 -3.849 1.511 -5.203
29 HB2 PRO 7 HB2 PRO 6 -1.319 2.257 -6.010
30 HB3 PRO 7 HB3 PRO 6 -2.767 2.370 -7.025
31 HG2 PRO 7 HG2 PRO 6 -1.375 4.496 -5.489
32 HG3 PRO 7 HG3 PRO 6 -2.172 4.576 -7.066
33 HD2 PRO 7 HD2 PRO 6 -3.303 5.541 -4.799
34 HD3 PRO 7 HD3 PRO 6 -4.262 4.883 -6.145
35 H SER 8 H SER 7 -2.400 -0.074 -4.417
36 HA SER 8 HA SER 7 -1.630 0.242 -1.697
37 HB2 SER 8 HB2 SER 7 -0.806 -2.031 -1.872
38 HB3 SER 8 HB3 SER 7 -2.341 -1.915 -2.728
39 HG SER 8 HG SER 7 -0.400 -2.961 -3.779
40 H TYR 9 H TYR 8 -0.020 0.762 -4.712
41 HA TYR 9 HA TYR 8 2.652 0.408 -3.955
42 HB2 TYR 9 HB2 TYR 8 3.073 1.143 -6.042
43 HB3 TYR 9 HB3 TYR 8 1.321 1.239 -6.239
44 HD1 TYR 9 HD1 TYR 8 4.404 3.131 -5.684
45 HD2 TYR 9 HD2 TYR 8 0.140 3.374 -5.947
46 HE1 TYR 9 HE1 TYR 8 4.556 5.597 -5.893
47 HE2 TYR 9 HE2 TYR 8 0.271 5.825 -6.161
48 HH TYR 9 HH TYR 8 3.242 7.546 -5.606
49 H LEU 10 H LEU 9 0.360 2.782 -2.976
50 HA LEU 10 HA LEU 9 2.131 4.923 -2.414
51 HB2 LEU 10 HB2 LEU 9 -0.587 4.177 -1.327
52 HB3 LEU 10 HB3 LEU 9 0.262 5.656 -0.876
53 HG LEU 10 HG LEU 9 -0.328 4.888 -3.744
54 HD11 LEU 10 HD11 LEU 9 -2.091 6.717 -3.532
55 HD12 LEU 10 HD12 LEU 9 -1.886 6.591 -1.785
56 HD13 LEU 10 HD13 LEU 9 -2.468 5.205 -2.707
57 HD21 LEU 10 HD21 LEU 9 1.469 6.465 -3.629
58 HD22 LEU 10 HD22 LEU 9 0.671 7.384 -2.351
59 HD23 LEU 10 HD23 LEU 9 0.030 7.417 -3.993
60 H CYS 11 H CYS 10 1.344 1.960 -0.780
61 HA CYS 11 HA CYS 10 3.046 2.818 1.482
62 HB2 CYS 11 HB2 CYS 10 0.792 0.808 1.609
63 HB3 CYS 11 HB3 CYS 10 1.710 1.469 2.960
64 HA PRO 12 HA PRO 11 4.913 -0.859 -0.692
65 HB2 PRO 12 HB2 PRO 11 7.473 0.130 -0.647
66 HB3 PRO 12 HB3 PRO 11 6.325 0.407 -1.971
67 HG2 PRO 12 HG2 PRO 11 7.110 2.204 0.261
68 HG3 PRO 12 HG3 PRO 11 6.747 2.587 -1.429
69 HD2 PRO 12 HD2 PRO 11 4.985 3.012 0.616
70 HD3 PRO 12 HD3 PRO 11 4.479 2.689 -1.055
71 H TRP 13 H TRP 12 5.731 0.969 2.185
72 HA TRP 13 HA TRP 12 7.506 -0.897 3.359
73 HB2 TRP 13 HB2 TRP 12 6.964 0.258 5.478
74 HB3 TRP 13 HB3 TRP 12 7.339 1.397 4.187
75 HD1 TRP 13 HD1 TRP 12 4.388 -0.029 6.163
76 HE1 TRP 13 HE1 TRP 12 2.395 1.590 5.949
77 HE3 TRP 13 HE3 TRP 12 6.308 3.292 2.794
78 HZ2 TRP 13 HZ2 TRP 12 1.711 3.991 4.547
79 HZ3 TRP 13 HZ3 TRP 12 4.969 5.238 2.043
80 HH2 TRP 13 HH2 TRP 12 2.674 5.591 2.914
81 H LEU 14 H LEU 13 4.070 -0.837 2.919
82 HA LEU 14 HA LEU 13 3.502 -2.654 5.055
83 HB2 LEU 14 HB2 LEU 13 1.966 -1.222 2.989
84 HB3 LEU 14 HB3 LEU 13 1.293 -2.774 3.497
85 HG LEU 14 HG LEU 13 2.212 -0.673 5.474
86 HD11 LEU 14 HD11 LEU 13 -0.577 -1.171 4.393
87 HD12 LEU 14 HD12 LEU 13 0.406 0.261 4.082
88 HD13 LEU 14 HD13 LEU 13 -0.172 -0.076 5.714
89 HD21 LEU 14 HD21 LEU 13 0.544 -2.007 6.912
90 HD22 LEU 14 HD22 LEU 13 2.045 -2.833 6.501
91 HD23 LEU 14 HD23 LEU 13 0.564 -3.212 5.624
92 HA PRO 15 HA PRO 14 4.963 -6.221 2.649
93 HB2 PRO 15 HB2 PRO 14 3.349 -7.669 4.696
94 HB3 PRO 15 HB3 PRO 14 5.034 -7.921 4.201
95 HG2 PRO 15 HG2 PRO 14 4.429 -6.749 6.507
96 HG3 PRO 15 HG3 PRO 14 5.824 -6.231 5.543
97 HD2 PRO 15 HD2 PRO 14 3.179 -4.914 5.906
98 HD3 PRO 15 HD3 PRO 14 4.785 -4.190 5.668
99 H GLY 16 H GLY 15 1.627 -5.932 3.817
100 HA2 GLY 16 HA2 GLY 15 0.444 -7.792 2.052
101 HA3 GLY 16 HA3 GLY 15 -0.397 -6.472 2.860
102 H CYS 17 H CYS 16 1.117 -4.337 1.772
103 HA CYS 17 HA CYS 16 -0.305 -3.830 -0.600
104 HB2 CYS 17 HB2 CYS 16 1.957 -2.520 0.842
105 HB3 CYS 17 HB3 CYS 16 1.638 -2.033 -0.821
106 HN1 NH2 18 HN1 NH2 102 0.118 -4.438 -2.702
107 HN2 NH2 18 HN2 NH2 102 1.598 -5.062 -3.263
Start of MODEL 5
1 H1 ACE 1 H1 ACE 101 -8.607 -9.248 3.436
2 H2 ACE 1 H2 ACE 101 -9.691 -9.555 2.079
3 H3 ACE 1 H3 ACE 101 -9.710 -7.987 2.885
4 H GLY 2 H1 GLY 1 -7.509 -6.844 2.882
5 HA2 GLY 2 HA2 GLY 1 -5.511 -7.406 0.999
6 HA3 GLY 2 HA3 GLY 1 -6.706 -6.377 0.218
7 H CYS 3 H CYS 2 -4.479 -5.144 0.228
8 HA CYS 3 HA CYS 2 -3.724 -3.894 2.648
9 HB2 CYS 3 HB2 CYS 2 -2.558 -4.148 0.189
10 HB3 CYS 3 HB3 CYS 2 -3.040 -2.450 0.185
11 HA PRO 4 HA PRO 3 -6.916 -0.752 2.688
12 HB2 PRO 4 HB2 PRO 3 -5.761 0.983 4.462
13 HB3 PRO 4 HB3 PRO 3 -6.516 -0.547 4.947
14 HG2 PRO 4 HG2 PRO 3 -3.634 0.097 4.550
15 HG3 PRO 4 HG3 PRO 3 -4.413 -0.873 5.814
16 HD2 PRO 4 HD2 PRO 3 -3.148 -1.971 3.682
17 HD3 PRO 4 HD3 PRO 3 -4.526 -2.753 4.488
18 H CYS 5 H CYS 4 -3.644 -0.155 1.731
19 HA CYS 5 HA CYS 4 -4.091 2.591 0.920
20 HB2 CYS 5 HB2 CYS 4 -1.783 0.693 0.428
21 HB3 CYS 5 HB3 CYS 4 -1.795 2.399 -0.023
22 H GLU 6 H GLU 5 -4.811 3.269 -1.003
23 HA GLU 6 HA GLU 5 -4.698 1.401 -3.253
24 HB2 GLU 6 HB2 GLU 5 -6.905 1.155 -2.314
25 HB3 GLU 6 HB3 GLU 5 -7.186 2.891 -2.437
26 HG2 GLU 6 HG2 GLU 5 -8.193 1.764 -4.364
27 HG3 GLU 6 HG3 GLU 5 -6.825 2.723 -4.917
28 HA PRO 7 HA PRO 6 -3.851 1.417 -5.151
29 HB2 PRO 7 HB2 PRO 6 -1.358 2.057 -6.057
30 HB3 PRO 7 HB3 PRO 6 -2.838 2.265 -7.016
31 HG2 PRO 7 HG2 PRO 6 -1.333 4.290 -5.429
32 HG3 PRO 7 HG3 PRO 6 -2.043 4.434 -7.040
33 HD2 PRO 7 HD2 PRO 6 -3.260 5.457 -4.856
34 HD3 PRO 7 HD3 PRO 6 -4.196 4.760 -6.198
35 H SER 8 H SER 7 -2.406 -0.160 -4.319
36 HA SER 8 HA SER 7 -1.602 0.251 -1.623
37 HB2 SER 8 HB2 SER 7 -0.860 -2.033 -1.682
38 HB3 SER 8 HB3 SER 7 -2.343 -1.935 -2.629
39 HG SER 8 HG SER 7 -1.160 -2.022 -4.478
40 H TYR 9 H TYR 8 -0.008 0.641 -4.668
41 HA TYR 9 HA TYR 8 2.667 0.280 -3.921
42 HB2 TYR 9 HB2 TYR 8 3.092 0.958 -6.028
43 HB3 TYR 9 HB3 TYR 8 1.341 1.033 -6.222
44 HD1 TYR 9 HD1 TYR 8 4.411 2.968 -5.740
45 HD2 TYR 9 HD2 TYR 8 0.145 3.169 -6.000
46 HE1 TYR 9 HE1 TYR 8 4.548 5.425 -6.037
47 HE2 TYR 9 HE2 TYR 8 0.262 5.619 -6.296
48 HH TYR 9 HH TYR 8 2.237 7.259 -7.253
49 H LEU 10 H LEU 9 0.412 2.700 -2.989
50 HA LEU 10 HA LEU 9 2.227 4.824 -2.493
51 HB2 LEU 10 HB2 LEU 9 -0.534 4.181 -1.464
52 HB3 LEU 10 HB3 LEU 9 0.346 5.630 -0.982
53 HG LEU 10 HG LEU 9 -0.153 4.883 -3.870
54 HD11 LEU 10 HD11 LEU 9 -1.734 6.686 -2.013
55 HD12 LEU 10 HD12 LEU 9 -2.322 5.242 -2.840
56 HD13 LEU 10 HD13 LEU 9 -1.912 6.686 -3.766
57 HD21 LEU 10 HD21 LEU 9 0.874 7.337 -2.424
58 HD22 LEU 10 HD22 LEU 9 0.259 7.424 -4.076
59 HD23 LEU 10 HD23 LEU 9 1.661 6.420 -3.707
60 H CYS 11 H CYS 10 1.409 1.917 -0.804
61 HA CYS 11 HA CYS 10 3.008 2.847 1.505
62 HB2 CYS 11 HB2 CYS 10 0.792 0.780 1.505
63 HB3 CYS 11 HB3 CYS 10 1.686 1.356 2.910
64 HA PRO 12 HA PRO 11 5.141 -0.724 -0.626
65 HB2 PRO 12 HB2 PRO 11 7.641 0.436 -0.432
66 HB3 PRO 12 HB3 PRO 11 6.568 0.591 -1.836
67 HG2 PRO 12 HG2 PRO 11 7.083 2.504 0.376
68 HG3 PRO 12 HG3 PRO 11 6.771 2.808 -1.339
69 HD2 PRO 12 HD2 PRO 11 4.886 3.162 0.602
70 HD3 PRO 12 HD3 PRO 11 4.482 2.733 -1.075
71 H TRP 13 H TRP 12 5.576 1.069 2.326
72 HA TRP 13 HA TRP 12 7.449 -0.702 3.559
73 HB2 TRP 13 HB2 TRP 12 6.736 0.451 5.657
74 HB3 TRP 13 HB3 TRP 12 7.243 1.557 4.382
75 HD1 TRP 13 HD1 TRP 12 4.097 0.210 6.096
76 HE1 TRP 13 HE1 TRP 12 2.160 1.856 5.673
77 HE3 TRP 13 HE3 TRP 12 6.384 3.449 2.887
78 HZ2 TRP 13 HZ2 TRP 12 1.654 4.248 4.187
79 HZ3 TRP 13 HZ3 TRP 12 5.158 5.408 1.992
80 HH2 TRP 13 HH2 TRP 12 2.796 5.810 2.636
81 H LEU 14 H LEU 13 4.145 -0.994 2.794
82 HA LEU 14 HA LEU 13 3.617 -2.800 4.998
83 HB2 LEU 14 HB2 LEU 13 1.954 -1.339 3.035
84 HB3 LEU 14 HB3 LEU 13 1.347 -2.905 3.579
85 HG LEU 14 HG LEU 13 2.323 -0.782 5.499
86 HD11 LEU 14 HD11 LEU 13 -0.022 -0.193 5.858
87 HD12 LEU 14 HD12 LEU 13 -0.521 -1.359 4.633
88 HD13 LEU 14 HD13 LEU 13 0.408 0.066 4.167
89 HD21 LEU 14 HD21 LEU 13 0.756 -3.363 5.748
90 HD22 LEU 14 HD22 LEU 13 0.770 -2.153 7.030
91 HD23 LEU 14 HD23 LEU 13 2.271 -2.937 6.543
92 HA PRO 15 HA PRO 14 5.099 -6.129 2.268
93 HB2 PRO 15 HB2 PRO 14 3.758 -7.752 4.390
94 HB3 PRO 15 HB3 PRO 14 5.394 -7.902 3.720
95 HG2 PRO 15 HG2 PRO 14 4.994 -6.861 6.124
96 HG3 PRO 15 HG3 PRO 14 6.233 -6.207 5.039
97 HD2 PRO 15 HD2 PRO 14 3.557 -5.096 5.738
98 HD3 PRO 15 HD3 PRO 14 5.085 -4.258 5.393
99 H GLY 16 H GLY 15 1.871 -6.038 3.733
100 HA2 GLY 16 HA2 GLY 15 0.608 -7.894 2.021
101 HA3 GLY 16 HA3 GLY 15 -0.210 -6.634 2.942
102 H CYS 17 H CYS 16 1.107 -4.404 1.785
103 HA CYS 17 HA CYS 16 -0.544 -3.890 -0.424
104 HB2 CYS 17 HB2 CYS 16 1.818 -2.536 0.809
105 HB3 CYS 17 HB3 CYS 16 1.296 -2.016 -0.789
106 HN1 NH2 18 HN1 NH2 102 -0.330 -4.529 -2.549
107 HN2 NH2 18 HN2 NH2 102 1.117 -5.053 -3.275
Start of MODEL 6
1 H1 ACE 1 H1 ACE 101 -7.631 -9.896 3.552
2 H2 ACE 1 H2 ACE 101 -7.966 -8.645 4.749
3 H3 ACE 1 H3 ACE 101 -6.320 -9.234 4.527
4 H GLY 2 H1 GLY 1 -5.213 -8.711 2.545
5 HA2 GLY 2 HA2 GLY 1 -4.798 -7.463 0.608
6 HA3 GLY 2 HA3 GLY 1 -6.389 -6.723 0.771
7 H CYS 3 H CYS 2 -4.453 -4.994 0.134
8 HA CYS 3 HA CYS 2 -3.373 -3.854 2.598
9 HB2 CYS 3 HB2 CYS 2 -2.280 -4.083 0.117
10 HB3 CYS 3 HB3 CYS 2 -2.908 -2.433 0.061
11 HA PRO 4 HA PRO 3 -6.759 -0.929 2.695
12 HB2 PRO 4 HB2 PRO 3 -5.782 0.850 4.499
13 HB3 PRO 4 HB3 PRO 3 -6.369 -0.759 4.963
14 HG2 PRO 4 HG2 PRO 3 -3.568 0.185 4.552
15 HG3 PRO 4 HG3 PRO 3 -4.235 -0.857 5.825
16 HD2 PRO 4 HD2 PRO 3 -2.887 -1.855 3.669
17 HD3 PRO 4 HD3 PRO 3 -4.178 -2.750 4.501
18 H CYS 5 H CYS 4 -3.576 -0.184 1.651
19 HA CYS 5 HA CYS 4 -4.142 2.580 0.944
20 HB2 CYS 5 HB2 CYS 4 -1.769 0.790 0.364
21 HB3 CYS 5 HB3 CYS 4 -1.859 2.507 -0.034
22 H GLU 6 H GLU 5 -4.956 3.243 -0.955
23 HA GLU 6 HA GLU 5 -4.780 1.433 -3.270
24 HB2 GLU 6 HB2 GLU 5 -7.015 1.198 -2.272
25 HB3 GLU 6 HB3 GLU 5 -7.258 2.938 -2.446
26 HG2 GLU 6 HG2 GLU 5 -7.054 2.789 -4.858
27 HG3 GLU 6 HG3 GLU 5 -6.623 1.084 -4.755
28 HA PRO 7 HA PRO 6 -3.911 1.488 -5.195
29 HB2 PRO 7 HB2 PRO 6 -1.448 2.227 -6.139
30 HB3 PRO 7 HB3 PRO 6 -2.947 2.454 -7.055
31 HG2 PRO 7 HG2 PRO 6 -1.446 4.423 -5.395
32 HG3 PRO 7 HG3 PRO 6 -2.174 4.631 -6.994
33 HD2 PRO 7 HD2 PRO 6 -3.397 5.530 -4.761
34 HD3 PRO 7 HD3 PRO 6 -4.327 4.870 -6.126
35 H SER 8 H SER 7 -2.486 -0.082 -4.413
36 HA SER 8 HA SER 7 -1.609 0.217 -1.745
37 HB2 SER 8 HB2 SER 7 -0.747 -2.041 -1.990
38 HB3 SER 8 HB3 SER 7 -2.315 -1.928 -2.785
39 HG SER 8 HG SER 7 -0.840 -2.947 -4.146
40 H TYR 9 H TYR 8 -0.033 0.819 -4.780
41 HA TYR 9 HA TYR 8 2.647 0.442 -4.027
42 HB2 TYR 9 HB2 TYR 8 3.124 1.255 -6.075
43 HB3 TYR 9 HB3 TYR 8 1.376 1.257 -6.320
44 HD1 TYR 9 HD1 TYR 8 4.344 3.305 -5.699
45 HD2 TYR 9 HD2 TYR 8 0.070 3.343 -6.028
46 HE1 TYR 9 HE1 TYR 8 4.381 5.774 -5.911
47 HE2 TYR 9 HE2 TYR 8 0.098 5.806 -6.240
48 HH TYR 9 HH TYR 8 2.165 7.547 -7.138
49 H LEU 10 H LEU 9 0.375 2.812 -3.016
50 HA LEU 10 HA LEU 9 2.166 4.934 -2.410
51 HB2 LEU 10 HB2 LEU 9 -0.581 4.226 -1.369
52 HB3 LEU 10 HB3 LEU 9 0.287 5.689 -0.904
53 HG LEU 10 HG LEU 9 -0.247 4.945 -3.785
54 HD11 LEU 10 HD11 LEU 9 -1.847 6.674 -1.878
55 HD12 LEU 10 HD12 LEU 9 -2.408 5.251 -2.756
56 HD13 LEU 10 HD13 LEU 9 -2.029 6.734 -3.631
57 HD21 LEU 10 HD21 LEU 9 1.549 6.513 -3.608
58 HD22 LEU 10 HD22 LEU 9 0.727 7.422 -2.340
59 HD23 LEU 10 HD23 LEU 9 0.126 7.477 -3.996
60 H CYS 11 H CYS 10 1.447 1.929 -0.843
61 HA CYS 11 HA CYS 10 3.032 2.816 1.496
62 HB2 CYS 11 HB2 CYS 10 0.781 0.792 1.524
63 HB3 CYS 11 HB3 CYS 10 1.684 1.388 2.917
64 HA PRO 12 HA PRO 11 5.034 -0.789 -0.707
65 HB2 PRO 12 HB2 PRO 11 7.572 0.265 -0.540
66 HB3 PRO 12 HB3 PRO 11 6.468 0.540 -1.901
67 HG2 PRO 12 HG2 PRO 11 7.072 2.299 0.428
68 HG3 PRO 12 HG3 PRO 11 6.841 2.723 -1.281
69 HD2 PRO 12 HD2 PRO 11 4.887 3.094 0.562
70 HD3 PRO 12 HD3 PRO 11 4.523 2.670 -1.121
71 H TRP 13 H TRP 12 5.703 1.001 2.231
72 HA TRP 13 HA TRP 12 7.483 -0.866 3.415
73 HB2 TRP 13 HB2 TRP 12 6.905 0.290 5.538
74 HB3 TRP 13 HB3 TRP 12 7.348 1.413 4.250
75 HD1 TRP 13 HD1 TRP 12 4.298 0.061 6.133
76 HE1 TRP 13 HE1 TRP 12 2.347 1.720 5.840
77 HE3 TRP 13 HE3 TRP 12 6.400 3.316 2.804
78 HZ2 TRP 13 HZ2 TRP 12 1.758 4.114 4.391
79 HZ3 TRP 13 HZ3 TRP 12 5.122 5.277 1.988
80 HH2 TRP 13 HH2 TRP 12 2.805 5.679 2.774
81 H LEU 14 H LEU 13 4.071 -0.912 2.899
82 HA LEU 14 HA LEU 13 3.539 -2.703 5.102
83 HB2 LEU 14 HB2 LEU 13 1.947 -1.267 3.071
84 HB3 LEU 14 HB3 LEU 13 1.286 -2.817 3.605
85 HG LEU 14 HG LEU 13 2.238 -0.697 5.548
86 HD11 LEU 14 HD11 LEU 13 -0.186 -0.163 5.840
87 HD12 LEU 14 HD12 LEU 13 -0.550 -1.199 4.459
88 HD13 LEU 14 HD13 LEU 13 0.410 0.262 4.235
89 HD21 LEU 14 HD21 LEU 13 0.592 -3.233 5.737
90 HD22 LEU 14 HD22 LEU 13 0.623 -2.031 7.027
91 HD23 LEU 14 HD23 LEU 13 2.103 -2.866 6.566
92 HA PRO 15 HA PRO 14 4.971 -6.282 2.711
93 HB2 PRO 15 HB2 PRO 14 3.288 -7.652 4.778
94 HB3 PRO 15 HB3 PRO 14 4.936 -8.035 4.232
95 HG2 PRO 15 HG2 PRO 14 4.569 -6.838 6.539
96 HG3 PRO 15 HG3 PRO 14 5.879 -6.313 5.464
97 HD2 PRO 15 HD2 PRO 14 3.234 -4.998 5.988
98 HD3 PRO 15 HD3 PRO 14 4.832 -4.260 5.722
99 H GLY 16 H GLY 15 1.623 -5.975 3.846
100 HA2 GLY 16 HA2 GLY 15 0.438 -7.828 2.091
101 HA3 GLY 16 HA3 GLY 15 -0.395 -6.489 2.873
102 H CYS 17 H CYS 16 1.117 -4.372 1.734
103 HA CYS 17 HA CYS 16 -0.323 -3.901 -0.622
104 HB2 CYS 17 HB2 CYS 16 1.999 -2.612 0.732
105 HB3 CYS 17 HB3 CYS 16 1.665 -2.164 -0.938
106 HN1 NH2 18 HN1 NH2 102 -0.016 -4.716 -2.670
107 HN2 NH2 18 HN2 NH2 102 1.452 -5.333 -3.271
Start of MODEL 7
1 H1 ACE 1 H1 ACE 101 -10.678 -6.980 2.077
2 H2 ACE 1 H2 ACE 101 -9.797 -6.504 3.529
3 H3 ACE 1 H3 ACE 101 -9.522 -8.092 2.811
4 H GLY 2 H1 GLY 1 -7.327 -7.829 2.421
5 HA2 GLY 2 HA2 GLY 1 -5.577 -7.384 0.951
6 HA3 GLY 2 HA3 GLY 1 -6.633 -6.285 0.066
7 H CYS 3 H CYS 2 -4.408 -5.116 0.186
8 HA CYS 3 HA CYS 2 -3.633 -3.907 2.637
9 HB2 CYS 3 HB2 CYS 2 -2.434 -4.171 0.231
10 HB3 CYS 3 HB3 CYS 2 -2.986 -2.498 0.114
11 HA PRO 4 HA PRO 3 -6.846 -0.781 2.739
12 HB2 PRO 4 HB2 PRO 3 -5.704 0.984 4.494
13 HB3 PRO 4 HB3 PRO 3 -6.464 -0.538 4.993
14 HG2 PRO 4 HG2 PRO 3 -3.580 0.096 4.597
15 HG3 PRO 4 HG3 PRO 3 -4.364 -0.845 5.880
16 HD2 PRO 4 HD2 PRO 3 -3.092 -2.036 3.791
17 HD3 PRO 4 HD3 PRO 3 -4.516 -2.764 4.571
18 H CYS 5 H CYS 4 -3.591 -0.153 1.753
19 HA CYS 5 HA CYS 4 -4.096 2.589 0.935
20 HB2 CYS 5 HB2 CYS 4 -1.735 0.756 0.440
21 HB3 CYS 5 HB3 CYS 4 -1.797 2.465 0.002
22 H GLU 6 H GLU 5 -4.916 3.191 -0.971
23 HA GLU 6 HA GLU 5 -4.720 1.334 -3.248
24 HB2 GLU 6 HB2 GLU 5 -6.955 1.092 -2.274
25 HB3 GLU 6 HB3 GLU 5 -7.208 2.830 -2.432
26 HG2 GLU 6 HG2 GLU 5 -6.991 2.689 -4.850
27 HG3 GLU 6 HG3 GLU 5 -6.605 0.973 -4.749
28 HA PRO 7 HA PRO 6 -3.842 1.367 -5.175
29 HB2 PRO 7 HB2 PRO 6 -1.376 2.116 -6.104
30 HB3 PRO 7 HB3 PRO 6 -2.866 2.298 -7.047
31 HG2 PRO 7 HG2 PRO 6 -1.403 4.331 -5.434
32 HG3 PRO 7 HG3 PRO 6 -2.139 4.487 -7.037
33 HD2 PRO 7 HD2 PRO 6 -3.375 5.421 -4.824
34 HD3 PRO 7 HD3 PRO 6 -4.291 4.715 -6.175
35 H SER 8 H SER 7 -2.447 -0.180 -4.326
36 HA SER 8 HA SER 7 -1.567 0.200 -1.669
37 HB2 SER 8 HB2 SER 7 -0.803 -2.066 -1.791
38 HB3 SER 8 HB3 SER 7 -2.293 -1.965 -2.726
39 HG SER 8 HG SER 7 -1.042 -2.862 -4.183
40 H TYR 9 H TYR 8 0.001 0.737 -4.709
41 HA TYR 9 HA TYR 8 2.684 0.361 -3.945
42 HB2 TYR 9 HB2 TYR 8 3.167 1.122 -6.015
43 HB3 TYR 9 HB3 TYR 8 1.419 1.140 -6.263
44 HD1 TYR 9 HD1 TYR 8 4.415 3.152 -5.687
45 HD2 TYR 9 HD2 TYR 8 0.135 3.247 -5.986
46 HE1 TYR 9 HE1 TYR 8 4.486 5.620 -5.938
47 HE2 TYR 9 HE2 TYR 8 0.198 5.706 -6.237
48 HH TYR 9 HH TYR 8 1.953 7.425 -7.063
49 H LEU 10 H LEU 9 0.406 2.768 -3.034
50 HA LEU 10 HA LEU 9 2.183 4.906 -2.450
51 HB2 LEU 10 HB2 LEU 9 -0.563 4.193 -1.404
52 HB3 LEU 10 HB3 LEU 9 0.291 5.670 -0.960
53 HG LEU 10 HG LEU 9 -0.235 4.878 -3.830
54 HD11 LEU 10 HD11 LEU 9 -2.405 5.190 -2.856
55 HD12 LEU 10 HD12 LEU 9 -2.016 6.700 -3.679
56 HD13 LEU 10 HD13 LEU 9 -1.857 6.584 -1.926
57 HD21 LEU 10 HD21 LEU 9 0.117 7.406 -4.085
58 HD22 LEU 10 HD22 LEU 9 1.548 6.462 -3.680
59 HD23 LEU 10 HD23 LEU 9 0.718 7.384 -2.426
60 H CYS 11 H CYS 10 1.475 1.926 -0.841
61 HA CYS 11 HA CYS 10 3.036 2.857 1.498
62 HB2 CYS 11 HB2 CYS 10 0.798 0.810 1.503
63 HB3 CYS 11 HB3 CYS 10 1.711 1.372 2.904
64 HA PRO 12 HA PRO 11 5.112 -0.727 -0.663
65 HB2 PRO 12 HB2 PRO 11 7.633 0.365 -0.486
66 HB3 PRO 12 HB3 PRO 11 6.534 0.631 -1.855
67 HG2 PRO 12 HG2 PRO 11 7.104 2.388 0.484
68 HG3 PRO 12 HG3 PRO 11 6.880 2.814 -1.225
69 HD2 PRO 12 HD2 PRO 11 4.909 3.153 0.614
70 HD3 PRO 12 HD3 PRO 11 4.559 2.740 -1.076
71 H TRP 13 H TRP 12 5.609 1.058 2.287
72 HA TRP 13 HA TRP 12 7.438 -0.739 3.525
73 HB2 TRP 13 HB2 TRP 12 6.742 0.411 5.626
74 HB3 TRP 13 HB3 TRP 12 7.245 1.524 4.354
75 HD1 TRP 13 HD1 TRP 12 4.102 0.180 6.088
76 HE1 TRP 13 HE1 TRP 12 2.173 1.846 5.698
77 HE3 TRP 13 HE3 TRP 12 6.379 3.429 2.872
78 HZ2 TRP 13 HZ2 TRP 12 1.667 4.245 4.225
79 HZ3 TRP 13 HZ3 TRP 12 5.154 5.400 2.000
80 HH2 TRP 13 HH2 TRP 12 2.803 5.812 2.670
81 H LEU 14 H LEU 13 4.094 -0.964 2.837
82 HA LEU 14 HA LEU 13 3.558 -2.790 5.040
83 HB2 LEU 14 HB2 LEU 13 1.938 -1.325 3.048
84 HB3 LEU 14 HB3 LEU 13 1.301 -2.889 3.568
85 HG LEU 14 HG LEU 13 2.228 -0.758 5.511
86 HD11 LEU 14 HD11 LEU 13 0.368 0.184 4.277
87 HD12 LEU 14 HD12 LEU 13 -0.234 -0.350 5.847
88 HD13 LEU 14 HD13 LEU 13 -0.540 -1.323 4.408
89 HD21 LEU 14 HD21 LEU 13 0.688 -3.357 5.718
90 HD22 LEU 14 HD22 LEU 13 0.646 -2.146 7.000
91 HD23 LEU 14 HD23 LEU 13 2.173 -2.906 6.555
92 HA PRO 15 HA PRO 14 5.039 -6.206 2.409
93 HB2 PRO 15 HB2 PRO 14 3.528 -7.732 4.502
94 HB3 PRO 15 HB3 PRO 14 5.159 -8.018 3.854
95 HG2 PRO 15 HG2 PRO 14 4.873 -6.940 6.230
96 HG3 PRO 15 HG3 PRO 14 6.095 -6.306 5.111
97 HD2 PRO 15 HD2 PRO 14 3.414 -5.147 5.824
98 HD3 PRO 15 HD3 PRO 14 4.961 -4.314 5.538
99 H GLY 16 H GLY 15 1.763 -6.055 3.748
100 HA2 GLY 16 HA2 GLY 15 0.525 -7.861 1.982
101 HA3 GLY 16 HA3 GLY 15 -0.295 -6.588 2.880
102 H CYS 17 H CYS 16 1.084 -4.373 1.760
103 HA CYS 17 HA CYS 16 -0.491 -3.844 -0.500
104 HB2 CYS 17 HB2 CYS 16 1.845 -2.528 0.807
105 HB3 CYS 17 HB3 CYS 16 1.417 -2.020 -0.825
106 HN1 NH2 18 HN1 NH2 102 -0.255 -4.557 -2.596
107 HN2 NH2 18 HN2 NH2 102 1.207 -5.081 -3.296
Start of MODEL 8
1 H1 ACE 1 H1 ACE 101 -7.493 -9.151 3.598
2 H2 ACE 1 H2 ACE 101 -6.025 -9.116 4.576
3 H3 ACE 1 H3 ACE 101 -6.188 -10.290 3.270
4 H GLY 2 H1 GLY 1 -7.604 -7.778 1.917
5 HA2 GLY 2 HA2 GLY 1 -5.424 -7.103 0.228
6 HA3 GLY 2 HA3 GLY 1 -6.987 -6.288 0.273
7 H CYS 3 H CYS 2 -4.310 -5.093 0.027
8 HA CYS 3 HA CYS 2 -3.573 -3.941 2.517
9 HB2 CYS 3 HB2 CYS 2 -2.356 -4.124 0.108
10 HB3 CYS 3 HB3 CYS 2 -2.914 -2.449 0.057
11 HA PRO 4 HA PRO 3 -6.820 -0.850 2.723
12 HB2 PRO 4 HB2 PRO 3 -5.631 0.896 4.480
13 HB3 PRO 4 HB3 PRO 3 -6.416 -0.615 4.971
14 HG2 PRO 4 HG2 PRO 3 -3.522 -0.030 4.560
15 HG3 PRO 4 HG3 PRO 3 -4.313 -0.976 5.837
16 HD2 PRO 4 HD2 PRO 3 -3.078 -2.172 3.740
17 HD3 PRO 4 HD3 PRO 3 -4.533 -2.866 4.495
18 H CYS 5 H CYS 4 -3.565 -0.162 1.740
19 HA CYS 5 HA CYS 4 -4.115 2.582 0.964
20 HB2 CYS 5 HB2 CYS 4 -1.741 0.770 0.467
21 HB3 CYS 5 HB3 CYS 4 -1.818 2.469 -0.006
22 H GLU 6 H GLU 5 -4.918 3.220 -0.951
23 HA GLU 6 HA GLU 5 -4.715 1.382 -3.243
24 HB2 GLU 6 HB2 GLU 5 -6.956 1.128 -2.269
25 HB3 GLU 6 HB3 GLU 5 -7.219 2.865 -2.444
26 HG2 GLU 6 HG2 GLU 5 -6.935 2.704 -4.862
27 HG3 GLU 6 HG3 GLU 5 -6.577 0.983 -4.729
28 HA PRO 7 HA PRO 6 -3.838 1.436 -5.185
29 HB2 PRO 7 HB2 PRO 6 -1.354 2.207 -6.067
30 HB3 PRO 7 HB3 PRO 6 -2.831 2.398 -7.024
31 HG2 PRO 7 HG2 PRO 6 -1.401 4.416 -5.366
32 HG3 PRO 7 HG3 PRO 6 -2.117 4.582 -6.975
33 HD2 PRO 7 HD2 PRO 6 -3.386 5.488 -4.776
34 HD3 PRO 7 HD3 PRO 6 -4.277 4.784 -6.146
35 H SER 8 H SER 7 -2.422 -0.119 -4.346
36 HA SER 8 HA SER 7 -1.572 0.252 -1.669
37 HB2 SER 8 HB2 SER 7 -0.829 -2.021 -1.779
38 HB3 SER 8 HB3 SER 7 -2.283 -1.923 -2.766
39 HG SER 8 HG SER 7 -0.675 -3.010 -3.896
40 H TYR 9 H TYR 8 -0.019 0.775 -4.719
41 HA TYR 9 HA TYR 8 2.667 0.424 -3.993
42 HB2 TYR 9 HB2 TYR 8 3.086 1.177 -6.075
43 HB3 TYR 9 HB3 TYR 8 1.333 1.246 -6.271
44 HD1 TYR 9 HD1 TYR 8 4.391 3.188 -5.702
45 HD2 TYR 9 HD2 TYR 8 0.116 3.364 -5.977
46 HE1 TYR 9 HE1 TYR 8 4.506 5.656 -5.910
47 HE2 TYR 9 HE2 TYR 8 0.219 5.824 -6.186
48 HH TYR 9 HH TYR 8 2.843 7.619 -5.378
49 H LEU 10 H LEU 9 0.373 2.808 -3.030
50 HA LEU 10 HA LEU 9 2.138 4.947 -2.426
51 HB2 LEU 10 HB2 LEU 9 -0.593 4.201 -1.368
52 HB3 LEU 10 HB3 LEU 9 0.266 5.663 -0.883
53 HG LEU 10 HG LEU 9 -0.249 4.966 -3.774
54 HD11 LEU 10 HD11 LEU 9 -1.911 6.600 -1.838
55 HD12 LEU 10 HD12 LEU 9 -2.427 5.193 -2.769
56 HD13 LEU 10 HD13 LEU 9 -2.076 6.712 -3.591
57 HD21 LEU 10 HD21 LEU 9 0.050 7.515 -3.921
58 HD22 LEU 10 HD22 LEU 9 1.497 6.576 -3.561
59 HD23 LEU 10 HD23 LEU 9 0.656 7.429 -2.267
60 H CYS 11 H CYS 10 1.357 1.969 -0.808
61 HA CYS 11 HA CYS 10 3.022 2.826 1.483
62 HB2 CYS 11 HB2 CYS 10 0.747 0.834 1.552
63 HB3 CYS 11 HB3 CYS 10 1.684 1.413 2.928
64 HA PRO 12 HA PRO 11 4.934 -0.806 -0.716
65 HB2 PRO 12 HB2 PRO 11 7.487 0.218 -0.644
66 HB3 PRO 12 HB3 PRO 11 6.342 0.499 -1.969
67 HG2 PRO 12 HG2 PRO 11 7.083 2.273 0.301
68 HG3 PRO 12 HG3 PRO 11 6.739 2.679 -1.392
69 HD2 PRO 12 HD2 PRO 11 4.920 3.059 0.617
70 HD3 PRO 12 HD3 PRO 11 4.451 2.719 -1.059
71 H TRP 13 H TRP 12 5.714 1.003 2.183
72 HA TRP 13 HA TRP 12 7.501 -0.858 3.350
73 HB2 TRP 13 HB2 TRP 12 6.949 0.277 5.476
74 HB3 TRP 13 HB3 TRP 12 7.318 1.429 4.192
75 HD1 TRP 13 HD1 TRP 12 4.359 -0.055 6.130
76 HE1 TRP 13 HE1 TRP 12 2.352 1.549 5.918
77 HE3 TRP 13 HE3 TRP 12 6.277 3.323 2.814
78 HZ2 TRP 13 HZ2 TRP 12 1.655 3.954 4.531
79 HZ3 TRP 13 HZ3 TRP 12 4.923 5.262 2.071
80 HH2 TRP 13 HH2 TRP 12 2.615 5.580 2.923
81 H LEU 14 H LEU 13 4.069 -0.873 2.903
82 HA LEU 14 HA LEU 13 3.552 -2.703 5.064
83 HB2 LEU 14 HB2 LEU 13 1.969 -1.260 3.045
84 HB3 LEU 14 HB3 LEU 13 1.321 -2.836 3.520
85 HG LEU 14 HG LEU 13 2.215 -0.764 5.538
86 HD11 LEU 14 HD11 LEU 13 -0.075 -0.057 5.751
87 HD12 LEU 14 HD12 LEU 13 -0.627 -1.314 4.644
88 HD13 LEU 14 HD13 LEU 13 0.328 0.038 4.036
89 HD21 LEU 14 HD21 LEU 13 0.597 -2.159 6.953
90 HD22 LEU 14 HD22 LEU 13 2.093 -2.965 6.486
91 HD23 LEU 14 HD23 LEU 13 0.596 -3.322 5.628
92 HA PRO 15 HA PRO 14 5.016 -6.254 2.650
93 HB2 PRO 15 HB2 PRO 14 3.392 -7.694 4.708
94 HB3 PRO 15 HB3 PRO 14 5.058 -7.996 4.172
95 HG2 PRO 15 HG2 PRO 14 4.587 -6.841 6.497
96 HG3 PRO 15 HG3 PRO 14 5.923 -6.291 5.467
97 HD2 PRO 15 HD2 PRO 14 3.254 -5.000 5.940
98 HD3 PRO 15 HD3 PRO 14 4.848 -4.246 5.693
99 H GLY 16 H GLY 15 1.693 -5.995 3.849
100 HA2 GLY 16 HA2 GLY 15 0.483 -7.834 2.087
101 HA3 GLY 16 HA3 GLY 15 -0.343 -6.521 2.923
102 H CYS 17 H CYS 16 1.141 -4.371 1.810
103 HA CYS 17 HA CYS 16 -0.344 -3.863 -0.525
104 HB2 CYS 17 HB2 CYS 16 1.944 -2.542 0.867
105 HB3 CYS 17 HB3 CYS 16 1.561 -2.039 -0.778
106 HN1 NH2 18 HN1 NH2 102 0.009 -4.561 -2.609
107 HN2 NH2 18 HN2 NH2 102 1.499 -5.114 -3.221
Start of MODEL 9
1 H1 ACE 1 H1 ACE 101 -10.055 -7.922 1.843
2 H2 ACE 1 H2 ACE 101 -8.948 -8.728 2.954
3 H3 ACE 1 H3 ACE 101 -9.589 -9.600 1.562
4 H GLY 2 H1 GLY 1 -7.720 -6.664 2.353
5 HA2 GLY 2 HA2 GLY 1 -5.513 -7.321 0.728
6 HA3 GLY 2 HA3 GLY 1 -6.582 -6.260 -0.182
7 H CYS 3 H CYS 2 -4.294 -5.130 0.115
8 HA CYS 3 HA CYS 2 -3.700 -3.904 2.563
9 HB2 CYS 3 HB2 CYS 2 -2.482 -4.034 0.101
10 HB3 CYS 3 HB3 CYS 2 -2.962 -2.340 0.202
11 HA PRO 4 HA PRO 3 -6.917 -0.796 2.628
12 HB2 PRO 4 HB2 PRO 3 -5.776 0.955 4.404
13 HB3 PRO 4 HB3 PRO 3 -6.549 -0.567 4.887
14 HG2 PRO 4 HG2 PRO 3 -3.661 0.071 4.559
15 HG3 PRO 4 HG3 PRO 3 -4.471 -0.928 5.778
16 HD2 PRO 4 HD2 PRO 3 -3.142 -1.968 3.647
17 HD3 PRO 4 HD3 PRO 3 -4.515 -2.783 4.424
18 H CYS 5 H CYS 4 -3.629 -0.139 1.753
19 HA CYS 5 HA CYS 4 -4.085 2.586 0.896
20 HB2 CYS 5 HB2 CYS 4 -1.774 0.674 0.464
21 HB3 CYS 5 HB3 CYS 4 -1.772 2.365 -0.037
22 H GLU 6 H GLU 5 -4.895 3.217 -0.976
23 HA GLU 6 HA GLU 5 -4.707 1.392 -3.256
24 HB2 GLU 6 HB2 GLU 5 -7.228 2.782 -2.382
25 HB3 GLU 6 HB3 GLU 5 -7.001 1.923 -3.906
26 HG2 GLU 6 HG2 GLU 5 -6.463 -0.144 -2.722
27 HG3 GLU 6 HG3 GLU 5 -6.609 0.687 -1.174
28 HA PRO 7 HA PRO 6 -3.857 1.439 -5.144
29 HB2 PRO 7 HB2 PRO 6 -1.370 2.145 -6.021
30 HB3 PRO 7 HB3 PRO 6 -2.843 2.331 -6.991
31 HG2 PRO 7 HG2 PRO 6 -1.399 4.373 -5.374
32 HG3 PRO 7 HG3 PRO 6 -2.099 4.514 -6.991
33 HD2 PRO 7 HD2 PRO 6 -3.356 5.489 -4.807
34 HD3 PRO 7 HD3 PRO 6 -4.266 4.784 -6.165
35 H SER 8 H SER 7 -2.417 -0.115 -4.281
36 HA SER 8 HA SER 7 -1.599 0.348 -1.592
37 HB2 SER 8 HB2 SER 7 -0.936 -1.941 -1.574
38 HB3 SER 8 HB3 SER 7 -2.369 -1.856 -2.594
39 HG SER 8 HG SER 7 -1.101 -2.007 -4.379
40 H TYR 9 H TYR 8 -0.063 0.718 -4.652
41 HA TYR 9 HA TYR 8 2.624 0.335 -3.969
42 HB2 TYR 9 HB2 TYR 8 2.998 1.039 -6.078
43 HB3 TYR 9 HB3 TYR 8 1.243 1.150 -6.227
44 HD1 TYR 9 HD1 TYR 8 4.358 3.019 -5.808
45 HD2 TYR 9 HD2 TYR 8 0.094 3.296 -5.889
46 HE1 TYR 9 HE1 TYR 8 4.525 5.480 -6.043
47 HE2 TYR 9 HE2 TYR 8 0.235 5.749 -6.127
48 HH TYR 9 HH TYR 8 1.714 7.547 -5.818
49 H LEU 10 H LEU 9 0.382 2.751 -2.996
50 HA LEU 10 HA LEU 9 2.179 4.878 -2.483
51 HB2 LEU 10 HB2 LEU 9 -0.553 4.170 -1.413
52 HB3 LEU 10 HB3 LEU 9 0.313 5.623 -0.916
53 HG LEU 10 HG LEU 9 -0.213 4.936 -3.813
54 HD11 LEU 10 HD11 LEU 9 -2.032 6.654 -3.664
55 HD12 LEU 10 HD12 LEU 9 -1.813 6.681 -1.914
56 HD13 LEU 10 HD13 LEU 9 -2.376 5.211 -2.709
57 HD21 LEU 10 HD21 LEU 9 0.741 7.386 -2.315
58 HD22 LEU 10 HD22 LEU 9 0.139 7.478 -3.969
59 HD23 LEU 10 HD23 LEU 9 1.569 6.514 -3.603
60 H CYS 11 H CYS 10 1.339 1.962 -0.777
61 HA CYS 11 HA CYS 10 3.047 2.841 1.476
62 HB2 CYS 11 HB2 CYS 10 0.821 0.802 1.590
63 HB3 CYS 11 HB3 CYS 10 1.731 1.462 2.946
64 HA PRO 12 HA PRO 11 5.023 -0.783 -0.700
65 HB2 PRO 12 HB2 PRO 11 7.556 0.269 -0.604
66 HB3 PRO 12 HB3 PRO 11 6.416 0.574 -1.931
67 HG2 PRO 12 HG2 PRO 11 7.083 2.284 0.418
68 HG3 PRO 12 HG3 PRO 11 6.835 2.742 -1.276
69 HD2 PRO 12 HD2 PRO 11 4.914 3.098 0.599
70 HD3 PRO 12 HD3 PRO 11 4.519 2.713 -1.090
71 H TRP 13 H TRP 12 5.656 1.006 2.232
72 HA TRP 13 HA TRP 12 7.507 -0.802 3.414
73 HB2 TRP 13 HB2 TRP 12 6.889 0.365 5.527
74 HB3 TRP 13 HB3 TRP 12 7.321 1.476 4.226
75 HD1 TRP 13 HD1 TRP 12 4.259 0.068 6.056
76 HE1 TRP 13 HE1 TRP 12 2.293 1.704 5.741
77 HE3 TRP 13 HE3 TRP 12 6.387 3.391 2.818
78 HZ2 TRP 13 HZ2 TRP 12 1.705 4.115 4.315
79 HZ3 TRP 13 HZ3 TRP 12 5.105 5.350 2.004
80 HH2 TRP 13 HH2 TRP 12 2.767 5.714 2.746
81 H LEU 14 H LEU 13 4.131 -0.971 2.841
82 HA LEU 14 HA LEU 13 3.633 -2.755 5.049
83 HB2 LEU 14 HB2 LEU 13 1.989 -1.319 3.075
84 HB3 LEU 14 HB3 LEU 13 1.371 -2.895 3.580
85 HG LEU 14 HG LEU 13 2.309 -0.798 5.553
86 HD11 LEU 14 HD11 LEU 13 0.388 0.013 4.158
87 HD12 LEU 14 HD12 LEU 13 -0.018 -0.184 5.864
88 HD13 LEU 14 HD13 LEU 13 -0.533 -1.395 4.690
89 HD21 LEU 14 HD21 LEU 13 0.768 -3.401 5.731
90 HD22 LEU 14 HD22 LEU 13 0.733 -2.210 7.031
91 HD23 LEU 14 HD23 LEU 13 2.256 -2.963 6.569
92 HA PRO 15 HA PRO 14 5.091 -6.254 2.555
93 HB2 PRO 15 HB2 PRO 14 3.498 -7.675 4.658
94 HB3 PRO 15 HB3 PRO 14 5.145 -8.003 4.082
95 HG2 PRO 15 HG2 PRO 14 4.754 -6.810 6.402
96 HG3 PRO 15 HG3 PRO 14 6.061 -6.282 5.329
97 HD2 PRO 15 HD2 PRO 14 3.431 -4.983 5.886
98 HD3 PRO 15 HD3 PRO 14 5.017 -4.247 5.559
99 H GLY 16 H GLY 15 1.770 -6.074 3.816
100 HA2 GLY 16 HA2 GLY 15 0.593 -7.887 1.996
101 HA3 GLY 16 HA3 GLY 15 -0.265 -6.637 2.894
102 H CYS 17 H CYS 16 1.131 -4.393 1.858
103 HA CYS 17 HA CYS 16 -0.396 -3.833 -0.428
104 HB2 CYS 17 HB2 CYS 16 1.919 -2.515 0.933
105 HB3 CYS 17 HB3 CYS 16 1.443 -1.956 -0.667
106 HN1 NH2 18 HN1 NH2 102 -0.094 -4.514 -2.525
107 HN2 NH2 18 HN2 NH2 102 1.392 -5.002 -3.195
Start of MODEL 10
1 H1 ACE 1 H1 ACE 101 -9.767 -6.056 2.889
2 H2 ACE 1 H2 ACE 101 -8.888 -7.464 3.488
3 H3 ACE 1 H3 ACE 101 -9.733 -7.545 1.942
4 H GLY 2 H1 GLY 1 -7.038 -8.212 2.159
5 HA2 GLY 2 HA2 GLY 1 -5.002 -7.826 1.162
6 HA3 GLY 2 HA3 GLY 1 -5.857 -6.714 0.097
7 H CYS 3 H CYS 2 -4.695 -4.858 0.066
8 HA CYS 3 HA CYS 2 -3.585 -3.880 2.598
9 HB2 CYS 3 HB2 CYS 2 -2.443 -4.060 0.108
10 HB3 CYS 3 HB3 CYS 2 -2.942 -2.366 0.171
11 HA PRO 4 HA PRO 3 -6.839 -0.809 2.694
12 HB2 PRO 4 HB2 PRO 3 -5.763 0.963 4.464
13 HB3 PRO 4 HB3 PRO 3 -6.448 -0.599 4.955
14 HG2 PRO 4 HG2 PRO 3 -3.596 0.174 4.549
15 HG3 PRO 4 HG3 PRO 3 -4.329 -0.821 5.824
16 HD2 PRO 4 HD2 PRO 3 -3.020 -1.911 3.691
17 HD3 PRO 4 HD3 PRO 3 -4.374 -2.724 4.508
18 H CYS 5 H CYS 4 -3.600 -0.126 1.707
19 HA CYS 5 HA CYS 4 -4.133 2.621 0.928
20 HB2 CYS 5 HB2 CYS 4 -1.769 0.798 0.417
21 HB3 CYS 5 HB3 CYS 4 -1.838 2.505 -0.029
22 H GLU 6 H GLU 5 -4.956 3.244 -0.980
23 HA GLU 6 HA GLU 5 -4.761 1.398 -3.268
24 HB2 GLU 6 HB2 GLU 5 -7.003 1.171 -2.332
25 HB3 GLU 6 HB3 GLU 5 -7.238 2.917 -2.447
26 HG2 GLU 6 HG2 GLU 5 -6.985 2.835 -4.873
27 HG3 GLU 6 HG3 GLU 5 -6.630 1.111 -4.804
28 HA PRO 7 HA PRO 6 -3.863 1.424 -5.181
29 HB2 PRO 7 HB2 PRO 6 -1.385 2.148 -6.109
30 HB3 PRO 7 HB3 PRO 6 -2.872 2.345 -7.051
31 HG2 PRO 7 HG2 PRO 6 -1.396 4.365 -5.434
32 HG3 PRO 7 HG3 PRO 6 -2.122 4.525 -7.040
33 HD2 PRO 7 HD2 PRO 6 -3.359 5.477 -4.835
34 HD3 PRO 7 HD3 PRO 6 -4.278 4.775 -6.189
35 H SER 8 H SER 7 -2.478 -0.132 -4.303
36 HA SER 8 HA SER 7 -1.608 0.294 -1.644
37 HB2 SER 8 HB2 SER 7 -0.893 -1.990 -1.697
38 HB3 SER 8 HB3 SER 7 -2.356 -1.895 -2.670
39 HG SER 8 HG SER 7 -1.209 -2.188 -4.449
40 H TYR 9 H TYR 8 -0.036 0.742 -4.693
41 HA TYR 9 HA TYR 8 2.638 0.346 -3.937
42 HB2 TYR 9 HB2 TYR 8 3.118 1.083 -6.013
43 HB3 TYR 9 HB3 TYR 8 1.370 1.122 -6.251
44 HD1 TYR 9 HD1 TYR 8 4.392 3.108 -5.728
45 HD2 TYR 9 HD2 TYR 8 0.115 3.243 -5.967
46 HE1 TYR 9 HE1 TYR 8 4.484 5.572 -5.997
47 HE2 TYR 9 HE2 TYR 8 0.195 5.697 -6.239
48 HH TYR 9 HH TYR 8 1.679 7.546 -5.770
49 H LEU 10 H LEU 9 0.391 2.786 -3.026
50 HA LEU 10 HA LEU 9 2.188 4.906 -2.462
51 HB2 LEU 10 HB2 LEU 9 -0.557 4.222 -1.396
52 HB3 LEU 10 HB3 LEU 9 0.316 5.693 -0.963
53 HG LEU 10 HG LEU 9 -0.231 4.894 -3.823
54 HD11 LEU 10 HD11 LEU 9 -1.994 6.743 -3.660
55 HD12 LEU 10 HD12 LEU 9 -1.843 6.596 -1.908
56 HD13 LEU 10 HD13 LEU 9 -2.397 5.221 -2.866
57 HD21 LEU 10 HD21 LEU 9 0.749 7.396 -2.431
58 HD22 LEU 10 HD22 LEU 9 0.135 7.423 -4.084
59 HD23 LEU 10 HD23 LEU 9 1.562 6.467 -3.689
60 H CYS 11 H CYS 10 1.394 1.955 -0.819
61 HA CYS 11 HA CYS 10 3.016 2.846 1.495
62 HB2 CYS 11 HB2 CYS 10 0.751 0.835 1.540
63 HB3 CYS 11 HB3 CYS 10 1.665 1.428 2.927
64 HA PRO 12 HA PRO 11 4.977 -0.795 -0.679
65 HB2 PRO 12 HB2 PRO 11 7.515 0.251 -0.619
66 HB3 PRO 12 HB3 PRO 11 6.360 0.545 -1.936
67 HG2 PRO 12 HG2 PRO 11 7.069 2.282 0.380
68 HG3 PRO 12 HG3 PRO 11 6.786 2.719 -1.317
69 HD2 PRO 12 HD2 PRO 11 4.900 3.089 0.607
70 HD3 PRO 12 HD3 PRO 11 4.477 2.710 -1.072
71 H TRP 13 H TRP 12 5.606 1.018 2.228
72 HA TRP 13 HA TRP 12 7.453 -0.783 3.422
73 HB2 TRP 13 HB2 TRP 12 6.802 0.354 5.546
74 HB3 TRP 13 HB3 TRP 12 7.277 1.475 4.270
75 HD1 TRP 13 HD1 TRP 12 4.161 0.103 6.042
76 HE1 TRP 13 HE1 TRP 12 2.225 1.770 5.698
77 HE3 TRP 13 HE3 TRP 12 6.389 3.392 2.835
78 HZ2 TRP 13 HZ2 TRP 12 1.694 4.186 4.259
79 HZ3 TRP 13 HZ3 TRP 12 5.149 5.368 1.997
80 HH2 TRP 13 HH2 TRP 12 2.805 5.769 2.704
81 H LEU 14 H LEU 13 4.064 -0.962 2.856
82 HA LEU 14 HA LEU 13 3.585 -2.769 5.065
83 HB2 LEU 14 HB2 LEU 13 1.937 -1.356 3.060
84 HB3 LEU 14 HB3 LEU 13 1.325 -2.926 3.591
85 HG LEU 14 HG LEU 13 2.236 -0.782 5.526
86 HD11 LEU 14 HD11 LEU 13 0.368 0.147 4.298
87 HD12 LEU 14 HD12 LEU 13 -0.235 -0.397 5.864
88 HD13 LEU 14 HD13 LEU 13 -0.525 -1.369 4.422
89 HD21 LEU 14 HD21 LEU 13 0.721 -3.398 5.738
90 HD22 LEU 14 HD22 LEU 13 0.658 -2.185 7.017
91 HD23 LEU 14 HD23 LEU 13 2.196 -2.924 6.581
92 HA PRO 15 HA PRO 14 5.075 -6.263 2.573
93 HB2 PRO 15 HB2 PRO 14 3.472 -7.747 4.624
94 HB3 PRO 15 HB3 PRO 14 5.128 -8.048 4.056
95 HG2 PRO 15 HG2 PRO 14 4.714 -6.929 6.403
96 HG3 PRO 15 HG3 PRO 14 6.017 -6.348 5.348
97 HD2 PRO 15 HD2 PRO 14 3.349 -5.098 5.910
98 HD3 PRO 15 HD3 PRO 14 4.929 -4.322 5.645
99 H GLY 16 H GLY 15 1.755 -6.075 3.800
100 HA2 GLY 16 HA2 GLY 15 0.560 -7.892 2.005
101 HA3 GLY 16 HA3 GLY 15 -0.281 -6.608 2.873
102 H CYS 17 H CYS 16 1.152 -4.411 1.802
103 HA CYS 17 HA CYS 16 -0.345 -3.872 -0.515
104 HB2 CYS 17 HB2 CYS 16 1.957 -2.557 0.868
105 HB3 CYS 17 HB3 CYS 16 1.529 -2.024 -0.754
106 HN1 NH2 18 HN1 NH2 102 0.023 -4.449 -2.637
107 HN2 NH2 18 HN2 NH2 102 1.504 -5.014 -3.257
Start of MODEL 11
1 H1 ACE 1 H1 ACE 101 -6.717 -10.187 3.400
2 H2 ACE 1 H2 ACE 101 -7.960 -8.939 3.502
3 H3 ACE 1 H3 ACE 101 -6.617 -8.942 4.645
4 H GLY 2 H1 GLY 1 -7.778 -7.546 1.861
5 HA2 GLY 2 HA2 GLY 1 -5.369 -7.181 0.363
6 HA3 GLY 2 HA3 GLY 1 -6.860 -6.259 0.178
7 H CYS 3 H CYS 2 -4.359 -5.019 0.011
8 HA CYS 3 HA CYS 2 -3.566 -3.905 2.506
9 HB2 CYS 3 HB2 CYS 2 -2.447 -4.014 0.014
10 HB3 CYS 3 HB3 CYS 2 -2.959 -2.326 0.105
11 HA PRO 4 HA PRO 3 -6.797 -0.807 2.777
12 HB2 PRO 4 HB2 PRO 3 -5.635 0.898 4.569
13 HB3 PRO 4 HB3 PRO 3 -6.357 -0.655 5.032
14 HG2 PRO 4 HG2 PRO 3 -3.492 0.042 4.583
15 HG3 PRO 4 HG3 PRO 3 -4.227 -0.959 5.852
16 HD2 PRO 4 HD2 PRO 3 -2.998 -2.049 3.685
17 HD3 PRO 4 HD3 PRO 3 -4.385 -2.824 4.485
18 H CYS 5 H CYS 4 -3.615 -0.197 1.635
19 HA CYS 5 HA CYS 4 -4.138 2.592 0.934
20 HB2 CYS 5 HB2 CYS 4 -1.755 0.792 0.444
21 HB3 CYS 5 HB3 CYS 4 -1.831 2.497 -0.001
22 H GLU 6 H GLU 5 -4.931 3.234 -0.965
23 HA GLU 6 HA GLU 5 -4.718 1.408 -3.259
24 HB2 GLU 6 HB2 GLU 5 -7.211 2.853 -2.367
25 HB3 GLU 6 HB3 GLU 5 -7.037 1.951 -3.873
26 HG2 GLU 6 HG2 GLU 5 -6.456 -0.083 -2.572
27 HG3 GLU 6 HG3 GLU 5 -6.695 0.827 -1.081
28 HA PRO 7 HA PRO 6 -3.844 1.438 -5.198
29 HB2 PRO 7 HB2 PRO 6 -1.349 2.187 -6.084
30 HB3 PRO 7 HB3 PRO 6 -2.824 2.333 -7.053
31 HG2 PRO 7 HG2 PRO 6 -1.392 4.416 -5.491
32 HG3 PRO 7 HG3 PRO 6 -2.166 4.527 -7.076
33 HD2 PRO 7 HD2 PRO 6 -3.352 5.487 -4.835
34 HD3 PRO 7 HD3 PRO 6 -4.289 4.791 -6.176
35 H SER 8 H SER 7 -2.438 -0.117 -4.361
36 HA SER 8 HA SER 7 -1.595 0.242 -1.681
37 HB2 SER 8 HB2 SER 7 -0.807 -2.032 -1.820
38 HB3 SER 8 HB3 SER 7 -2.313 -1.930 -2.726
39 HG SER 8 HG SER 7 0.335 -1.858 -3.749
40 H TYR 9 H TYR 8 -0.016 0.767 -4.717
41 HA TYR 9 HA TYR 8 2.662 0.409 -3.948
42 HB2 TYR 9 HB2 TYR 8 3.125 1.147 -6.025
43 HB3 TYR 9 HB3 TYR 8 1.375 1.197 -6.258
44 HD1 TYR 9 HD1 TYR 8 4.404 3.172 -5.650
45 HD2 TYR 9 HD2 TYR 8 0.137 3.316 -6.037
46 HE1 TYR 9 HE1 TYR 8 4.510 5.635 -5.904
47 HE2 TYR 9 HE2 TYR 8 0.231 5.771 -6.292
48 HH TYR 9 HH TYR 8 2.078 7.462 -7.116
49 H LEU 10 H LEU 9 0.363 2.790 -3.008
50 HA LEU 10 HA LEU 9 2.128 4.935 -2.428
51 HB2 LEU 10 HB2 LEU 9 -0.601 4.208 -1.349
52 HB3 LEU 10 HB3 LEU 9 0.248 5.695 -0.934
53 HG LEU 10 HG LEU 9 -0.340 4.861 -3.778
54 HD11 LEU 10 HD11 LEU 9 -2.479 5.207 -2.759
55 HD12 LEU 10 HD12 LEU 9 -2.098 6.705 -3.607
56 HD13 LEU 10 HD13 LEU 9 -1.896 6.607 -1.858
57 HD21 LEU 10 HD21 LEU 9 0.023 7.386 -4.085
58 HD22 LEU 10 HD22 LEU 9 1.457 6.432 -3.716
59 HD23 LEU 10 HD23 LEU 9 0.680 7.381 -2.448
60 H CYS 11 H CYS 10 1.371 1.959 -0.814
61 HA CYS 11 HA CYS 10 2.990 2.839 1.505
62 HB2 CYS 11 HB2 CYS 10 0.723 0.827 1.521
63 HB3 CYS 11 HB3 CYS 10 1.654 1.373 2.917
64 HA PRO 12 HA PRO 11 4.965 -0.766 -0.699
65 HB2 PRO 12 HB2 PRO 11 7.501 0.298 -0.636
66 HB3 PRO 12 HB3 PRO 11 6.347 0.568 -1.957
67 HG2 PRO 12 HG2 PRO 11 7.059 2.341 0.324
68 HG3 PRO 12 HG3 PRO 11 6.719 2.748 -1.369
69 HD2 PRO 12 HD2 PRO 11 4.883 3.101 0.623
70 HD3 PRO 12 HD3 PRO 11 4.429 2.748 -1.053
71 H TRP 13 H TRP 12 5.611 1.023 2.223
72 HA TRP 13 HA TRP 12 7.462 -0.804 3.379
73 HB2 TRP 13 HB2 TRP 12 6.911 0.344 5.504
74 HB3 TRP 13 HB3 TRP 12 7.289 1.483 4.210
75 HD1 TRP 13 HD1 TRP 12 4.325 0.040 6.164
76 HE1 TRP 13 HE1 TRP 12 2.325 1.649 5.934
77 HE3 TRP 13 HE3 TRP 12 6.254 3.371 2.808
78 HZ2 TRP 13 HZ2 TRP 12 1.637 4.038 4.522
79 HZ3 TRP 13 HZ3 TRP 12 4.906 5.306 2.043
80 HH2 TRP 13 HH2 TRP 12 2.602 5.643 2.895
81 H LEU 14 H LEU 13 4.080 -0.963 2.826
82 HA LEU 14 HA LEU 13 3.580 -2.740 5.054
83 HB2 LEU 14 HB2 LEU 13 1.948 -1.343 3.026
84 HB3 LEU 14 HB3 LEU 13 1.325 -2.899 3.581
85 HG LEU 14 HG LEU 13 2.256 -0.744 5.489
86 HD11 LEU 14 HD11 LEU 13 -0.089 -0.127 5.772
87 HD12 LEU 14 HD12 LEU 13 -0.576 -1.335 4.582
88 HD13 LEU 14 HD13 LEU 13 0.364 0.070 4.078
89 HD21 LEU 14 HD21 LEU 13 0.651 -2.099 6.989
90 HD22 LEU 14 HD22 LEU 13 2.177 -2.870 6.569
91 HD23 LEU 14 HD23 LEU 13 0.698 -3.329 5.726
92 HA PRO 15 HA PRO 14 5.054 -6.268 2.600
93 HB2 PRO 15 HB2 PRO 14 3.478 -7.711 4.702
94 HB3 PRO 15 HB3 PRO 14 5.126 -8.023 4.114
95 HG2 PRO 15 HG2 PRO 14 4.755 -6.859 6.444
96 HG3 PRO 15 HG3 PRO 14 6.034 -6.291 5.354
97 HD2 PRO 15 HD2 PRO 14 3.364 -5.050 5.934
98 HD3 PRO 15 HD3 PRO 14 4.937 -4.268 5.641
99 H GLY 16 H GLY 15 1.742 -6.024 3.843
100 HA2 GLY 16 HA2 GLY 15 0.523 -7.888 2.115
101 HA3 GLY 16 HA3 GLY 15 -0.302 -6.569 2.939
102 H CYS 17 H CYS 16 1.135 -4.420 1.786
103 HA CYS 17 HA CYS 16 -0.360 -3.944 -0.544
104 HB2 CYS 17 HB2 CYS 16 1.981 -2.622 0.769
105 HB3 CYS 17 HB3 CYS 16 1.549 -2.141 -0.868
106 HN1 NH2 18 HN1 NH2 102 -0.033 -4.660 -2.630
107 HN2 NH2 18 HN2 NH2 102 1.438 -5.262 -3.243
Start of MODEL 12
1 H1 ACE 1 H1 ACE 101 -8.858 -9.046 2.791
2 H2 ACE 1 H2 ACE 101 -8.422 -8.022 4.159
3 H3 ACE 1 H3 ACE 101 -7.674 -9.609 3.971
4 H GLY 2 H1 GLY 1 -8.250 -6.947 1.669
5 HA2 GLY 2 HA2 GLY 1 -5.568 -7.232 0.602
6 HA3 GLY 2 HA3 GLY 1 -6.818 -6.145 0.009
7 H CYS 3 H CYS 2 -4.546 -4.943 0.013
8 HA CYS 3 HA CYS 2 -3.709 -3.887 2.520
9 HB2 CYS 3 HB2 CYS 2 -2.659 -3.921 -0.058
10 HB3 CYS 3 HB3 CYS 2 -3.019 -2.218 0.247
11 HA PRO 4 HA PRO 3 -6.795 -0.657 2.857
12 HB2 PRO 4 HB2 PRO 3 -5.523 1.020 4.600
13 HB3 PRO 4 HB3 PRO 3 -6.253 -0.521 5.092
14 HG2 PRO 4 HG2 PRO 3 -3.401 0.132 4.540
15 HG3 PRO 4 HG3 PRO 3 -4.106 -0.878 5.817
16 HD2 PRO 4 HD2 PRO 3 -2.970 -1.921 3.568
17 HD3 PRO 4 HD3 PRO 3 -4.283 -2.728 4.450
18 H CYS 5 H CYS 4 -3.616 -0.104 1.649
19 HA CYS 5 HA CYS 4 -4.148 2.669 0.913
20 HB2 CYS 5 HB2 CYS 4 -1.764 0.863 0.395
21 HB3 CYS 5 HB3 CYS 4 -1.850 2.575 -0.036
22 H GLU 6 H GLU 5 -4.909 3.296 -1.017
23 HA GLU 6 HA GLU 5 -4.743 1.397 -3.246
24 HB2 GLU 6 HB2 GLU 5 -6.968 1.149 -2.318
25 HB3 GLU 6 HB3 GLU 5 -7.230 2.892 -2.467
26 HG2 GLU 6 HG2 GLU 5 -7.018 2.786 -4.875
27 HG3 GLU 6 HG3 GLU 5 -6.546 1.089 -4.796
28 HA PRO 7 HA PRO 6 -3.871 1.380 -5.166
29 HB2 PRO 7 HB2 PRO 6 -1.365 2.062 -6.077
30 HB3 PRO 7 HB3 PRO 6 -2.837 2.225 -7.047
31 HG2 PRO 7 HG2 PRO 6 -1.368 4.305 -5.505
32 HG3 PRO 7 HG3 PRO 6 -2.103 4.406 -7.113
33 HD2 PRO 7 HD2 PRO 6 -3.315 5.429 -4.922
34 HD3 PRO 7 HD3 PRO 6 -4.241 4.712 -6.257
35 H SER 8 H SER 7 -2.451 -0.169 -4.307
36 HA SER 8 HA SER 7 -1.638 0.275 -1.620
37 HB2 SER 8 HB2 SER 7 -0.905 -2.004 -1.651
38 HB3 SER 8 HB3 SER 7 -2.386 -1.920 -2.601
39 HG SER 8 HG SER 7 -0.864 -3.065 -3.762
40 H TYR 9 H TYR 8 -0.043 0.685 -4.657
41 HA TYR 9 HA TYR 8 2.632 0.300 -3.877
42 HB2 TYR 9 HB2 TYR 8 3.100 0.975 -5.981
43 HB3 TYR 9 HB3 TYR 8 1.350 1.032 -6.209
44 HD1 TYR 9 HD1 TYR 8 4.398 2.995 -5.708
45 HD2 TYR 9 HD2 TYR 8 0.128 3.162 -6.005
46 HE1 TYR 9 HE1 TYR 8 4.516 5.452 -6.031
47 HE2 TYR 9 HE2 TYR 8 0.231 5.607 -6.328
48 HH TYR 9 HH TYR 8 3.173 7.392 -5.840
49 H LEU 10 H LEU 9 0.369 2.746 -3.013
50 HA LEU 10 HA LEU 9 2.192 4.870 -2.492
51 HB2 LEU 10 HB2 LEU 9 -0.580 4.253 -1.461
52 HB3 LEU 10 HB3 LEU 9 0.305 5.719 -1.038
53 HG LEU 10 HG LEU 9 -0.202 4.869 -3.895
54 HD11 LEU 10 HD11 LEU 9 -2.372 5.255 -2.928
55 HD12 LEU 10 HD12 LEU 9 -1.946 6.716 -3.821
56 HD13 LEU 10 HD13 LEU 9 -1.795 6.680 -2.064
57 HD21 LEU 10 HD21 LEU 9 0.209 7.386 -4.206
58 HD22 LEU 10 HD22 LEU 9 1.616 6.421 -3.765
59 HD23 LEU 10 HD23 LEU 9 0.793 7.389 -2.542
60 H CYS 11 H CYS 10 1.424 1.936 -0.847
61 HA CYS 11 HA CYS 10 2.982 2.866 1.487
62 HB2 CYS 11 HB2 CYS 10 0.711 0.861 1.478
63 HB3 CYS 11 HB3 CYS 10 1.632 1.388 2.888
64 HA PRO 12 HA PRO 11 5.041 -0.756 -0.637
65 HB2 PRO 12 HB2 PRO 11 7.562 0.331 -0.501
66 HB3 PRO 12 HB3 PRO 11 6.447 0.593 -1.858
67 HG2 PRO 12 HG2 PRO 11 7.049 2.358 0.470
68 HG3 PRO 12 HG3 PRO 11 6.812 2.780 -1.239
69 HD2 PRO 12 HD2 PRO 11 4.865 3.138 0.613
70 HD3 PRO 12 HD3 PRO 11 4.499 2.723 -1.072
71 H TRP 13 H TRP 12 5.547 1.051 2.290
72 HA TRP 13 HA TRP 12 7.402 -0.715 3.535
73 HB2 TRP 13 HB2 TRP 12 6.642 0.422 5.640
74 HB3 TRP 13 HB3 TRP 12 7.185 1.532 4.381
75 HD1 TRP 13 HD1 TRP 12 3.982 0.167 5.989
76 HE1 TRP 13 HE1 TRP 12 2.063 1.826 5.534
77 HE3 TRP 13 HE3 TRP 12 6.381 3.460 2.919
78 HZ2 TRP 13 HZ2 TRP 12 1.614 4.246 4.077
79 HZ3 TRP 13 HZ3 TRP 12 5.190 5.441 2.021
80 HH2 TRP 13 HH2 TRP 12 2.811 5.837 2.595
81 H LEU 14 H LEU 13 4.063 -0.985 2.814
82 HA LEU 14 HA LEU 13 3.543 -2.781 5.031
83 HB2 LEU 14 HB2 LEU 13 1.916 -1.408 2.985
84 HB3 LEU 14 HB3 LEU 13 1.317 -2.978 3.537
85 HG LEU 14 HG LEU 13 2.192 -0.801 5.444
86 HD11 LEU 14 HD11 LEU 13 -0.650 -1.454 4.657
87 HD12 LEU 14 HD12 LEU 13 0.262 -0.128 3.934
88 HD13 LEU 14 HD13 LEU 13 -0.088 -0.121 5.662
89 HD21 LEU 14 HD21 LEU 13 0.680 -3.413 5.693
90 HD22 LEU 14 HD22 LEU 13 0.603 -2.175 6.947
91 HD23 LEU 14 HD23 LEU 13 2.145 -2.922 6.543
92 HA PRO 15 HA PRO 14 5.167 -6.226 2.534
93 HB2 PRO 15 HB2 PRO 14 3.614 -7.737 4.602
94 HB3 PRO 15 HB3 PRO 14 5.279 -7.988 4.035
95 HG2 PRO 15 HG2 PRO 14 4.819 -6.850 6.371
96 HG3 PRO 15 HG3 PRO 14 6.115 -6.252 5.318
97 HD2 PRO 15 HD2 PRO 14 3.422 -5.067 5.863
98 HD3 PRO 15 HD3 PRO 14 4.980 -4.254 5.575
99 H GLY 16 H GLY 15 1.838 -6.144 3.751
100 HA2 GLY 16 HA2 GLY 15 0.724 -8.003 1.945
101 HA3 GLY 16 HA3 GLY 15 -0.172 -6.768 2.827
102 H CYS 17 H CYS 16 1.163 -4.505 1.764
103 HA CYS 17 HA CYS 16 -0.374 -3.985 -0.516
104 HB2 CYS 17 HB2 CYS 16 1.970 -2.630 0.773
105 HB3 CYS 17 HB3 CYS 16 1.418 -2.087 -0.804
106 HN1 NH2 18 HN1 NH2 102 -0.062 -4.543 -2.642
107 HN2 NH2 18 HN2 NH2 102 1.405 -5.093 -3.310
Start of MODEL 13
1 H1 ACE 1 H1 ACE 101 -7.671 -8.983 3.883
2 H2 ACE 1 H2 ACE 101 -9.208 -8.945 3.018
3 H3 ACE 1 H3 ACE 101 -8.897 -7.791 4.315
4 H GLY 2 H1 GLY 1 -6.167 -8.432 2.412
5 HA2 GLY 2 HA2 GLY 1 -5.203 -7.359 0.576
6 HA3 GLY 2 HA3 GLY 1 -6.678 -6.416 0.385
7 H CYS 3 H CYS 2 -4.552 -4.928 0.058
8 HA CYS 3 HA CYS 2 -3.603 -3.880 2.586
9 HB2 CYS 3 HB2 CYS 2 -2.441 -4.067 0.134
10 HB3 CYS 3 HB3 CYS 2 -2.970 -2.384 0.137
11 HA PRO 4 HA PRO 3 -6.838 -0.777 2.726
12 HB2 PRO 4 HB2 PRO 3 -5.680 0.979 4.493
13 HB3 PRO 4 HB3 PRO 3 -6.474 -0.532 4.979
14 HG2 PRO 4 HG2 PRO 3 -3.579 0.069 4.672
15 HG3 PRO 4 HG3 PRO 3 -4.409 -0.923 5.884
16 HD2 PRO 4 HD2 PRO 3 -3.070 -2.006 3.753
17 HD3 PRO 4 HD3 PRO 3 -4.472 -2.790 4.515
18 H CYS 5 H CYS 4 -3.599 -0.164 1.722
19 HA CYS 5 HA CYS 4 -4.090 2.586 0.923
20 HB2 CYS 5 HB2 CYS 4 -1.755 0.723 0.449
21 HB3 CYS 5 HB3 CYS 4 -1.796 2.422 -0.033
22 H GLU 6 H GLU 5 -4.890 3.201 -0.993
23 HA GLU 6 HA GLU 5 -4.707 1.339 -3.261
24 HB2 GLU 6 HB2 GLU 5 -6.935 1.057 -2.334
25 HB3 GLU 6 HB3 GLU 5 -7.209 2.796 -2.410
26 HG2 GLU 6 HG2 GLU 5 -6.988 2.772 -4.827
27 HG3 GLU 6 HG3 GLU 5 -6.567 1.060 -4.809
28 HA PRO 7 HA PRO 6 -3.821 1.380 -5.185
29 HB2 PRO 7 HB2 PRO 6 -1.336 2.129 -6.080
30 HB3 PRO 7 HB3 PRO 6 -2.814 2.272 -7.051
31 HG2 PRO 7 HG2 PRO 6 -1.380 4.366 -5.494
32 HG3 PRO 7 HG3 PRO 6 -2.158 4.469 -7.081
33 HD2 PRO 7 HD2 PRO 6 -3.344 5.425 -4.837
34 HD3 PRO 7 HD3 PRO 6 -4.278 4.732 -6.181
35 H SER 8 H SER 7 -2.414 -0.162 -4.326
36 HA SER 8 HA SER 7 -1.590 0.241 -1.650
37 HB2 SER 8 HB2 SER 7 -0.828 -2.037 -1.740
38 HB3 SER 8 HB3 SER 7 -2.310 -1.939 -2.686
39 HG SER 8 HG SER 7 -1.209 -2.439 -4.396
40 H TYR 9 H TYR 8 0.005 0.725 -4.683
41 HA TYR 9 HA TYR 8 2.680 0.365 -3.904
42 HB2 TYR 9 HB2 TYR 8 3.151 1.085 -5.987
43 HB3 TYR 9 HB3 TYR 8 1.403 1.120 -6.224
44 HD1 TYR 9 HD1 TYR 8 4.418 3.118 -5.689
45 HD2 TYR 9 HD2 TYR 8 0.144 3.237 -5.964
46 HE1 TYR 9 HE1 TYR 8 4.503 5.580 -5.968
47 HE2 TYR 9 HE2 TYR 8 0.216 5.690 -6.244
48 HH TYR 9 HH TYR 8 2.335 7.563 -5.406
49 H LEU 10 H LEU 9 0.387 2.755 -2.991
50 HA LEU 10 HA LEU 9 2.139 4.917 -2.445
51 HB2 LEU 10 HB2 LEU 9 -0.571 4.169 -1.331
52 HB3 LEU 10 HB3 LEU 9 0.270 5.664 -0.926
53 HG LEU 10 HG LEU 9 -0.335 4.821 -3.766
54 HD11 LEU 10 HD11 LEU 9 -2.467 5.141 -2.720
55 HD12 LEU 10 HD12 LEU 9 -2.116 6.636 -3.585
56 HD13 LEU 10 HD13 LEU 9 -1.894 6.556 -1.837
57 HD21 LEU 10 HD21 LEU 9 1.442 6.415 -3.724
58 HD22 LEU 10 HD22 LEU 9 0.670 7.354 -2.446
59 HD23 LEU 10 HD23 LEU 9 -0.008 7.355 -4.073
60 H CYS 11 H CYS 10 1.359 1.974 -0.767
61 HA CYS 11 HA CYS 10 3.034 2.865 1.507
62 HB2 CYS 11 HB2 CYS 10 0.791 0.835 1.604
63 HB3 CYS 11 HB3 CYS 10 1.701 1.483 2.969
64 HA PRO 12 HA PRO 11 4.968 -0.793 -0.671
65 HB2 PRO 12 HB2 PRO 11 7.508 0.237 -0.642
66 HB3 PRO 12 HB3 PRO 11 6.341 0.551 -1.943
67 HG2 PRO 12 HG2 PRO 11 7.081 2.262 0.386
68 HG3 PRO 12 HG3 PRO 11 6.801 2.714 -1.306
69 HD2 PRO 12 HD2 PRO 11 4.920 3.093 0.616
70 HD3 PRO 12 HD3 PRO 11 4.491 2.718 -1.062
71 H TRP 13 H TRP 12 5.604 1.018 2.229
72 HA TRP 13 HA TRP 12 7.458 -0.778 3.426
73 HB2 TRP 13 HB2 TRP 12 6.781 0.365 5.551
74 HB3 TRP 13 HB3 TRP 12 7.296 1.474 4.281
75 HD1 TRP 13 HD1 TRP 12 4.121 0.138 5.979
76 HE1 TRP 13 HE1 TRP 12 2.213 1.830 5.592
77 HE3 TRP 13 HE3 TRP 12 6.472 3.414 2.851
78 HZ2 TRP 13 HZ2 TRP 12 1.750 4.258 4.150
79 HZ3 TRP 13 HZ3 TRP 12 5.281 5.410 1.992
80 HH2 TRP 13 HH2 TRP 12 2.923 5.836 2.635
81 H LEU 14 H LEU 13 4.075 -0.946 2.845
82 HA LEU 14 HA LEU 13 3.597 -2.763 5.044
83 HB2 LEU 14 HB2 LEU 13 1.944 -1.315 3.084
84 HB3 LEU 14 HB3 LEU 13 1.323 -2.887 3.595
85 HG LEU 14 HG LEU 13 2.283 -0.793 5.557
86 HD11 LEU 14 HD11 LEU 13 -0.558 -1.347 4.649
87 HD12 LEU 14 HD12 LEU 13 0.384 0.075 4.201
88 HD13 LEU 14 HD13 LEU 13 -0.064 -0.189 5.885
89 HD21 LEU 14 HD21 LEU 13 2.208 -2.951 6.571
90 HD22 LEU 14 HD22 LEU 13 0.715 -3.378 5.735
91 HD23 LEU 14 HD23 LEU 13 0.690 -2.185 7.035
92 HA PRO 15 HA PRO 14 5.050 -6.226 2.481
93 HB2 PRO 15 HB2 PRO 14 3.498 -7.720 4.566
94 HB3 PRO 15 HB3 PRO 14 5.136 -8.021 3.949
95 HG2 PRO 15 HG2 PRO 14 4.803 -6.914 6.312
96 HG3 PRO 15 HG3 PRO 14 6.067 -6.320 5.218
97 HD2 PRO 15 HD2 PRO 14 3.405 -5.087 5.865
98 HD3 PRO 15 HD3 PRO 14 4.972 -4.299 5.568
99 H GLY 16 H GLY 15 1.754 -6.031 3.771
100 HA2 GLY 16 HA2 GLY 15 0.518 -7.847 2.004
101 HA3 GLY 16 HA3 GLY 15 -0.300 -6.559 2.882
102 H CYS 17 H CYS 16 1.111 -4.367 1.776
103 HA CYS 17 HA CYS 16 -0.420 -3.836 -0.511
104 HB2 CYS 17 HB2 CYS 16 1.910 -2.522 0.820
105 HB3 CYS 17 HB3 CYS 16 1.465 -2.004 -0.804
106 HN1 NH2 18 HN1 NH2 102 0.077 -3.950 -2.731
107 HN2 NH2 18 HN2 NH2 102 1.456 -4.737 -3.340
Start of MODEL 14
1 H1 ACE 1 H1 ACE 101 -7.046 -9.400 4.591
2 H2 ACE 1 H2 ACE 101 -8.190 -9.474 3.251
3 H3 ACE 1 H3 ACE 101 -8.190 -8.081 4.331
4 H GLY 2 H1 GLY 1 -8.032 -7.191 1.955
5 HA2 GLY 2 HA2 GLY 1 -5.399 -7.244 0.769
6 HA3 GLY 2 HA3 GLY 1 -6.767 -6.275 0.231
7 H CYS 3 H CYS 2 -4.350 -5.097 0.194
8 HA CYS 3 HA CYS 2 -3.606 -3.843 2.616
9 HB2 CYS 3 HB2 CYS 2 -2.535 -3.975 0.058
10 HB3 CYS 3 HB3 CYS 2 -2.987 -2.277 0.240
11 HA PRO 4 HA PRO 3 -6.812 -0.707 2.774
12 HB2 PRO 4 HB2 PRO 3 -5.675 1.022 4.545
13 HB3 PRO 4 HB3 PRO 3 -6.334 -0.554 5.032
14 HG2 PRO 4 HG2 PRO 3 -3.507 0.240 4.523
15 HG3 PRO 4 HG3 PRO 3 -4.182 -0.772 5.814
16 HD2 PRO 4 HD2 PRO 3 -2.961 -1.811 3.606
17 HD3 PRO 4 HD3 PRO 3 -4.248 -2.662 4.486
18 H CYS 5 H CYS 4 -3.625 -0.115 1.631
19 HA CYS 5 HA CYS 4 -4.143 2.657 0.899
20 HB2 CYS 5 HB2 CYS 4 -1.775 0.832 0.381
21 HB3 CYS 5 HB3 CYS 4 -1.842 2.543 -0.053
22 H GLU 6 H GLU 5 -4.940 3.293 -1.007
23 HA GLU 6 HA GLU 5 -4.758 1.423 -3.263
24 HB2 GLU 6 HB2 GLU 5 -7.005 1.189 -2.330
25 HB3 GLU 6 HB3 GLU 5 -7.248 2.933 -2.497
26 HG2 GLU 6 HG2 GLU 5 -8.244 1.769 -4.417
27 HG3 GLU 6 HG3 GLU 5 -6.880 2.748 -4.944
28 HA PRO 7 HA PRO 6 -3.888 1.402 -5.172
29 HB2 PRO 7 HB2 PRO 6 -1.387 2.077 -6.101
30 HB3 PRO 7 HB3 PRO 6 -2.863 2.279 -7.058
31 HG2 PRO 7 HG2 PRO 6 -1.372 4.302 -5.455
32 HG3 PRO 7 HG3 PRO 6 -2.069 4.451 -7.076
33 HD2 PRO 7 HD2 PRO 6 -3.322 5.454 -4.905
34 HD3 PRO 7 HD3 PRO 6 -4.238 4.740 -6.253
35 H SER 8 H SER 7 -2.462 -0.155 -4.326
36 HA SER 8 HA SER 7 -1.634 0.274 -1.642
37 HB2 SER 8 HB2 SER 7 -0.879 -1.998 -1.695
38 HB3 SER 8 HB3 SER 7 -2.371 -1.916 -2.627
39 HG SER 8 HG SER 7 0.273 -2.263 -3.469
40 H TYR 9 H TYR 8 -0.042 0.669 -4.688
41 HA TYR 9 HA TYR 8 2.632 0.295 -3.927
42 HB2 TYR 9 HB2 TYR 8 3.078 1.000 -6.030
43 HB3 TYR 9 HB3 TYR 8 1.328 1.065 -6.241
44 HD1 TYR 9 HD1 TYR 8 4.383 3.019 -5.710
45 HD2 TYR 9 HD2 TYR 8 0.114 3.186 -6.031
46 HE1 TYR 9 HE1 TYR 8 4.501 5.481 -5.997
47 HE2 TYR 9 HE2 TYR 8 0.219 5.638 -6.318
48 HH TYR 9 HH TYR 8 3.249 7.303 -6.790
49 H LEU 10 H LEU 9 0.370 2.737 -3.020
50 HA LEU 10 HA LEU 9 2.191 4.852 -2.494
51 HB2 LEU 10 HB2 LEU 9 -0.570 4.224 -1.450
52 HB3 LEU 10 HB3 LEU 9 0.317 5.686 -1.013
53 HG LEU 10 HG LEU 9 -0.188 4.869 -3.880
54 HD11 LEU 10 HD11 LEU 9 -2.361 5.228 -2.881
55 HD12 LEU 10 HD12 LEU 9 -1.958 6.675 -3.804
56 HD13 LEU 10 HD13 LEU 9 -1.793 6.675 -2.049
57 HD21 LEU 10 HD21 LEU 9 0.798 7.373 -2.495
58 HD22 LEU 10 HD22 LEU 9 0.203 7.396 -4.155
59 HD23 LEU 10 HD23 LEU 9 1.614 6.428 -3.740
60 H CYS 11 H CYS 10 1.391 1.934 -0.820
61 HA CYS 11 HA CYS 10 2.986 2.862 1.492
62 HB2 CYS 11 HB2 CYS 10 0.728 0.845 1.516
63 HB3 CYS 11 HB3 CYS 10 1.642 1.417 2.915
64 HA PRO 12 HA PRO 11 5.045 -0.769 -0.621
65 HB2 PRO 12 HB2 PRO 11 7.571 0.328 -0.420
66 HB3 PRO 12 HB3 PRO 11 6.499 0.542 -1.819
67 HG2 PRO 12 HG2 PRO 11 7.044 2.384 0.452
68 HG3 PRO 12 HG3 PRO 11 6.797 2.745 -1.267
69 HD2 PRO 12 HD2 PRO 11 4.855 3.132 0.593
70 HD3 PRO 12 HD3 PRO 11 4.492 2.689 -1.087
71 H TRP 13 H TRP 12 5.593 1.057 2.302
72 HA TRP 13 HA TRP 12 7.402 -0.728 3.565
73 HB2 TRP 13 HB2 TRP 12 6.641 0.421 5.662
74 HB3 TRP 13 HB3 TRP 12 7.188 1.524 4.398
75 HD1 TRP 13 HD1 TRP 12 3.982 0.187 6.021
76 HE1 TRP 13 HE1 TRP 12 2.073 1.856 5.562
77 HE3 TRP 13 HE3 TRP 12 6.387 3.441 2.910
78 HZ2 TRP 13 HZ2 TRP 12 1.630 4.265 4.085
79 HZ3 TRP 13 HZ3 TRP 12 5.205 5.420 2.003
80 HH2 TRP 13 HH2 TRP 12 2.831 5.837 2.585
81 H LEU 14 H LEU 13 4.077 -1.013 2.804
82 HA LEU 14 HA LEU 13 3.561 -2.809 5.032
83 HB2 LEU 14 HB2 LEU 13 1.910 -1.426 3.000
84 HB3 LEU 14 HB3 LEU 13 1.320 -2.997 3.561
85 HG LEU 14 HG LEU 13 2.219 -0.823 5.461
86 HD11 LEU 14 HD11 LEU 13 -0.193 -0.343 5.778
87 HD12 LEU 14 HD12 LEU 13 -0.566 -1.438 4.446
88 HD13 LEU 14 HD13 LEU 13 0.351 0.037 4.143
89 HD21 LEU 14 HD21 LEU 13 0.630 -2.199 6.972
90 HD22 LEU 14 HD22 LEU 13 2.174 -2.940 6.566
91 HD23 LEU 14 HD23 LEU 13 0.710 -3.437 5.719
92 HA PRO 15 HA PRO 14 5.150 -6.237 2.495
93 HB2 PRO 15 HB2 PRO 14 3.619 -7.764 4.568
94 HB3 PRO 15 HB3 PRO 14 5.279 -8.011 3.984
95 HG2 PRO 15 HG2 PRO 14 4.844 -6.891 6.332
96 HG3 PRO 15 HG3 PRO 14 6.128 -6.287 5.269
97 HD2 PRO 15 HD2 PRO 14 3.441 -5.098 5.848
98 HD3 PRO 15 HD3 PRO 14 4.996 -4.283 5.553
99 H GLY 16 H GLY 15 1.836 -6.109 3.741
100 HA2 GLY 16 HA2 GLY 15 0.676 -7.953 1.945
101 HA3 GLY 16 HA3 GLY 15 -0.191 -6.704 2.834
102 H CYS 17 H CYS 16 1.150 -4.456 1.771
103 HA CYS 17 HA CYS 16 -0.388 -3.910 -0.495
104 HB2 CYS 17 HB2 CYS 16 1.964 -2.593 0.808
105 HB3 CYS 17 HB3 CYS 16 1.481 -2.060 -0.798
106 HN1 NH2 18 HN1 NH2 102 -0.095 -4.401 -2.641
107 HN2 NH2 18 HN2 NH2 102 1.346 -5.007 -3.319
Start of MODEL 15
1 H1 ACE 1 H1 ACE 101 -8.494 -8.814 3.449
2 H2 ACE 1 H2 ACE 101 -7.410 -8.551 4.816
3 H3 ACE 1 H3 ACE 101 -7.257 -10.008 3.837
4 H GLY 2 H1 GLY 1 -8.006 -7.331 1.934
5 HA2 GLY 2 HA2 GLY 1 -5.407 -7.336 0.685
6 HA3 GLY 2 HA3 GLY 1 -6.787 -6.337 0.230
7 H CYS 3 H CYS 2 -4.409 -5.095 0.155
8 HA CYS 3 HA CYS 2 -3.641 -3.914 2.636
9 HB2 CYS 3 HB2 CYS 2 -2.463 -4.108 0.180
10 HB3 CYS 3 HB3 CYS 2 -2.999 -2.427 0.171
11 HA PRO 4 HA PRO 3 -6.892 -0.834 2.737
12 HB2 PRO 4 HB2 PRO 3 -5.798 0.946 4.498
13 HB3 PRO 4 HB3 PRO 3 -6.495 -0.609 4.995
14 HG2 PRO 4 HG2 PRO 3 -3.638 0.137 4.576
15 HG3 PRO 4 HG3 PRO 3 -4.373 -0.841 5.861
16 HD2 PRO 4 HD2 PRO 3 -3.083 -1.960 3.740
17 HD3 PRO 4 HD3 PRO 3 -4.451 -2.753 4.553
18 H CYS 5 H CYS 4 -3.634 -0.128 1.788
19 HA CYS 5 HA CYS 4 -4.169 2.597 0.952
20 HB2 CYS 5 HB2 CYS 4 -1.817 0.764 0.406
21 HB3 CYS 5 HB3 CYS 4 -1.891 2.474 -0.021
22 H GLU 6 H GLU 5 -4.746 3.293 -1.034
23 HA GLU 6 HA GLU 5 -4.698 1.408 -3.275
24 HB2 GLU 6 HB2 GLU 5 -7.073 2.318 -3.824
25 HB3 GLU 6 HB3 GLU 5 -6.898 1.015 -2.651
26 HG2 GLU 6 HG2 GLU 5 -7.012 2.615 -0.809
27 HG3 GLU 6 HG3 GLU 5 -7.081 3.957 -1.948
28 HA PRO 7 HA PRO 6 -3.817 1.437 -5.205
29 HB2 PRO 7 HB2 PRO 6 -1.351 2.164 -6.150
30 HB3 PRO 7 HB3 PRO 6 -2.848 2.379 -7.075
31 HG2 PRO 7 HG2 PRO 6 -1.348 4.374 -5.443
32 HG3 PRO 7 HG3 PRO 6 -2.074 4.548 -7.048
33 HD2 PRO 7 HD2 PRO 6 -3.311 5.493 -4.843
34 HD3 PRO 7 HD3 PRO 6 -4.229 4.796 -6.198
35 H SER 8 H SER 7 -2.495 -0.127 -4.304
36 HA SER 8 HA SER 7 -1.585 0.265 -1.664
37 HB2 SER 8 HB2 SER 7 -0.821 -2.011 -1.765
38 HB3 SER 8 HB3 SER 7 -2.325 -1.915 -2.678
39 HG SER 8 HG SER 7 -1.112 -1.834 -4.572
40 H TYR 9 H TYR 8 -0.003 0.740 -4.722
41 HA TYR 9 HA TYR 8 2.673 0.353 -3.950
42 HB2 TYR 9 HB2 TYR 8 3.168 1.096 -6.019
43 HB3 TYR 9 HB3 TYR 8 1.422 1.140 -6.275
44 HD1 TYR 9 HD1 TYR 8 4.444 3.107 -5.708
45 HD2 TYR 9 HD2 TYR 8 0.169 3.272 -5.995
46 HE1 TYR 9 HE1 TYR 8 4.557 5.570 -5.966
47 HE2 TYR 9 HE2 TYR 8 0.270 5.727 -6.254
48 HH TYR 9 HH TYR 8 2.892 7.375 -7.116
49 H LEU 10 H LEU 9 0.413 2.774 -3.032
50 HA LEU 10 HA LEU 9 2.200 4.905 -2.461
51 HB2 LEU 10 HB2 LEU 9 -0.545 4.198 -1.424
52 HB3 LEU 10 HB3 LEU 9 0.317 5.659 -0.944
53 HG LEU 10 HG LEU 9 -0.186 4.932 -3.834
54 HD11 LEU 10 HD11 LEU 9 -1.830 6.602 -1.914
55 HD12 LEU 10 HD12 LEU 9 -2.365 5.203 -2.846
56 HD13 LEU 10 HD13 LEU 9 -1.987 6.717 -3.665
57 HD21 LEU 10 HD21 LEU 9 1.584 6.523 -3.630
58 HD22 LEU 10 HD22 LEU 9 0.746 7.404 -2.356
59 HD23 LEU 10 HD23 LEU 9 0.151 7.475 -4.015
60 H CYS 11 H CYS 10 1.410 1.954 -0.823
61 HA CYS 11 HA CYS 10 3.019 2.849 1.497
62 HB2 CYS 11 HB2 CYS 10 0.776 0.812 1.528
63 HB3 CYS 11 HB3 CYS 10 1.672 1.423 2.918
64 HA PRO 12 HA PRO 11 4.999 -0.763 -0.690
65 HB2 PRO 12 HB2 PRO 11 7.534 0.298 -0.616
66 HB3 PRO 12 HB3 PRO 11 6.385 0.574 -1.940
67 HG2 PRO 12 HG2 PRO 11 7.079 2.337 0.358
68 HG3 PRO 12 HG3 PRO 11 6.776 2.756 -1.339
69 HD2 PRO 12 HD2 PRO 11 4.904 3.116 0.607
70 HD3 PRO 12 HD3 PRO 11 4.474 2.743 -1.072
71 H TRP 13 H TRP 12 5.591 1.035 2.226
72 HA TRP 13 HA TRP 12 7.451 -0.741 3.439
73 HB2 TRP 13 HB2 TRP 12 6.771 0.416 5.548
74 HB3 TRP 13 HB3 TRP 12 7.251 1.521 4.260
75 HD1 TRP 13 HD1 TRP 12 4.119 0.142 6.005
76 HE1 TRP 13 HE1 TRP 12 2.181 1.802 5.640
77 HE3 TRP 13 HE3 TRP 12 6.375 3.447 2.830
78 HZ2 TRP 13 HZ2 TRP 12 1.660 4.221 4.202
79 HZ3 TRP 13 HZ3 TRP 12 5.137 5.422 1.986
80 HH2 TRP 13 HH2 TRP 12 2.786 5.813 2.667
81 H LEU 14 H LEU 13 4.073 -0.963 2.851
82 HA LEU 14 HA LEU 13 3.588 -2.775 5.062
83 HB2 LEU 14 HB2 LEU 13 1.947 -1.364 3.047
84 HB3 LEU 14 HB3 LEU 13 1.334 -2.927 3.590
85 HG LEU 14 HG LEU 13 2.256 -0.801 5.533
86 HD11 LEU 14 HD11 LEU 13 -0.238 -0.368 5.820
87 HD12 LEU 14 HD12 LEU 13 -0.481 -1.247 4.311
88 HD13 LEU 14 HD13 LEU 13 0.463 0.242 4.322
89 HD21 LEU 14 HD21 LEU 13 0.249 -3.043 5.911
90 HD22 LEU 14 HD22 LEU 13 1.079 -2.109 7.154
91 HD23 LEU 14 HD23 LEU 13 1.972 -3.279 6.188
92 HA PRO 15 HA PRO 14 5.089 -6.236 2.499
93 HB2 PRO 15 HB2 PRO 14 3.543 -7.731 4.591
94 HB3 PRO 15 HB3 PRO 14 5.179 -8.038 3.969
95 HG2 PRO 15 HG2 PRO 14 4.873 -6.922 6.324
96 HG3 PRO 15 HG3 PRO 14 6.108 -6.305 5.209
97 HD2 PRO 15 HD2 PRO 14 3.423 -5.133 5.878
98 HD3 PRO 15 HD3 PRO 14 4.975 -4.309 5.596
99 H GLY 16 H GLY 15 1.794 -6.092 3.793
100 HA2 GLY 16 HA2 GLY 15 0.590 -7.904 2.002
101 HA3 GLY 16 HA3 GLY 15 -0.252 -6.645 2.901
102 H CYS 17 H CYS 16 1.127 -4.408 1.818
103 HA CYS 17 HA CYS 16 -0.428 -3.871 -0.457
104 HB2 CYS 17 HB2 CYS 16 1.878 -2.552 0.892
105 HB3 CYS 17 HB3 CYS 16 1.477 -2.038 -0.745
106 HN1 NH2 18 HN1 NH2 102 -0.158 -4.557 -2.557
107 HN2 NH2 18 HN2 NH2 102 1.313 -5.071 -3.242
Start of MODEL 16
1 H1 ACE 1 H1 ACE 101 -6.900 -8.602 4.776
2 H2 ACE 1 H2 ACE 101 -6.034 -10.012 4.166
3 H3 ACE 1 H3 ACE 101 -7.566 -9.532 3.434
4 H GLY 2 H1 GLY 1 -7.630 -7.681 2.087
5 HA2 GLY 2 HA2 GLY 1 -5.261 -7.244 0.545
6 HA3 GLY 2 HA3 GLY 1 -6.801 -6.416 0.338
7 H CYS 3 H CYS 2 -4.174 -5.239 0.190
8 HA CYS 3 HA CYS 2 -3.505 -3.926 2.578
9 HB2 CYS 3 HB2 CYS 2 -2.265 -4.188 0.200
10 HB3 CYS 3 HB3 CYS 2 -2.873 -2.538 0.047
11 HA PRO 4 HA PRO 3 -6.835 -0.917 2.594
12 HB2 PRO 4 HB2 PRO 3 -5.784 0.830 4.420
13 HB3 PRO 4 HB3 PRO 3 -6.505 -0.729 4.863
14 HG2 PRO 4 HG2 PRO 3 -3.633 0.005 4.553
15 HG3 PRO 4 HG3 PRO 3 -4.416 -1.003 5.783
16 HD2 PRO 4 HD2 PRO 3 -3.065 -2.052 3.684
17 HD3 PRO 4 HD3 PRO 3 -4.460 -2.865 4.431
18 H CYS 5 H CYS 4 -3.570 -0.194 1.712
19 HA CYS 5 HA CYS 4 -4.082 2.551 0.948
20 HB2 CYS 5 HB2 CYS 4 -1.735 0.706 0.456
21 HB3 CYS 5 HB3 CYS 4 -1.781 2.406 -0.018
22 H GLU 6 H GLU 5 -4.860 3.234 -0.943
23 HA GLU 6 HA GLU 5 -4.677 1.428 -3.238
24 HB2 GLU 6 HB2 GLU 5 -6.889 1.160 -2.199
25 HB3 GLU 6 HB3 GLU 5 -7.217 2.865 -2.508
26 HG2 GLU 6 HG2 GLU 5 -6.315 1.031 -4.739
27 HG3 GLU 6 HG3 GLU 5 -8.012 1.107 -4.273
28 HA PRO 7 HA PRO 6 -3.873 1.514 -5.170
29 HB2 PRO 7 HB2 PRO 6 -1.384 2.254 -6.037
30 HB3 PRO 7 HB3 PRO 6 -2.858 2.396 -7.009
31 HG2 PRO 7 HG2 PRO 6 -1.426 4.489 -5.457
32 HG3 PRO 7 HG3 PRO 6 -2.213 4.595 -7.035
33 HD2 PRO 7 HD2 PRO 6 -3.358 5.549 -4.775
34 HD3 PRO 7 HD3 PRO 6 -4.320 4.871 -6.109
35 H SER 8 H SER 7 -2.392 -0.061 -4.403
36 HA SER 8 HA SER 7 -1.590 0.275 -1.697
37 HB2 SER 8 HB2 SER 7 -0.774 -1.992 -1.854
38 HB3 SER 8 HB3 SER 7 -2.291 -1.893 -2.741
39 HG SER 8 HG SER 7 0.105 -2.624 -3.614
40 H TYR 9 H TYR 8 -0.016 0.788 -4.735
41 HA TYR 9 HA TYR 8 2.669 0.464 -4.016
42 HB2 TYR 9 HB2 TYR 8 3.065 1.228 -6.099
43 HB3 TYR 9 HB3 TYR 8 1.310 1.293 -6.278
44 HD1 TYR 9 HD1 TYR 8 4.362 3.239 -5.750
45 HD2 TYR 9 HD2 TYR 8 0.092 3.402 -5.939
46 HE1 TYR 9 HE1 TYR 8 4.469 5.707 -5.944
47 HE2 TYR 9 HE2 TYR 8 0.175 5.860 -6.135
48 HH TYR 9 HH TYR 8 2.749 7.541 -7.022
49 H LEU 10 H LEU 9 0.367 2.798 -2.986
50 HA LEU 10 HA LEU 9 2.128 4.946 -2.416
51 HB2 LEU 10 HB2 LEU 9 -0.597 4.185 -1.356
52 HB3 LEU 10 HB3 LEU 9 0.245 5.660 -0.879
53 HG LEU 10 HG LEU 9 -0.307 4.929 -3.765
54 HD11 LEU 10 HD11 LEU 9 -2.085 6.735 -3.561
55 HD12 LEU 10 HD12 LEU 9 -1.894 6.615 -1.812
56 HD13 LEU 10 HD13 LEU 9 -2.460 5.223 -2.736
57 HD21 LEU 10 HD21 LEU 9 0.700 7.390 -2.316
58 HD22 LEU 10 HD22 LEU 9 0.038 7.483 -3.948
59 HD23 LEU 10 HD23 LEU 9 1.473 6.509 -3.632
60 H CYS 11 H CYS 10 1.344 1.970 -0.806
61 HA CYS 11 HA CYS 10 3.030 2.811 1.473
62 HB2 CYS 11 HB2 CYS 10 0.769 0.806 1.564
63 HB3 CYS 11 HB3 CYS 10 1.703 1.419 2.927
64 HA PRO 12 HA PRO 11 4.933 -0.818 -0.752
65 HB2 PRO 12 HB2 PRO 11 7.480 0.200 -0.673
66 HB3 PRO 12 HB3 PRO 11 6.332 0.522 -1.989
67 HG2 PRO 12 HG2 PRO 11 7.054 2.223 0.348
68 HG3 PRO 12 HG3 PRO 11 6.775 2.684 -1.339
69 HD2 PRO 12 HD2 PRO 11 4.900 3.050 0.587
70 HD3 PRO 12 HD3 PRO 11 4.469 2.693 -1.098
71 H TRP 13 H TRP 12 5.706 0.969 2.164
72 HA TRP 13 HA TRP 12 7.515 -0.893 3.305
73 HB2 TRP 13 HB2 TRP 12 7.004 0.273 5.428
74 HB3 TRP 13 HB3 TRP 12 7.363 1.402 4.121
75 HD1 TRP 13 HD1 TRP 12 4.427 -0.020 6.127
76 HE1 TRP 13 HE1 TRP 12 2.431 1.597 5.921
77 HE3 TRP 13 HE3 TRP 12 6.323 3.294 2.742
78 HZ2 TRP 13 HZ2 TRP 12 1.736 3.992 4.520
79 HZ3 TRP 13 HZ3 TRP 12 4.979 5.238 1.995
80 HH2 TRP 13 HH2 TRP 12 2.687 5.591 2.877
81 H LEU 14 H LEU 13 4.085 -0.888 2.896
82 HA LEU 14 HA LEU 13 3.571 -2.671 5.078
83 HB2 LEU 14 HB2 LEU 13 1.966 -1.286 3.040
84 HB3 LEU 14 HB3 LEU 13 1.328 -2.835 3.594
85 HG LEU 14 HG LEU 13 2.286 -0.704 5.516
86 HD11 LEU 14 HD11 LEU 13 0.013 0.045 5.747
87 HD12 LEU 14 HD12 LEU 13 -0.576 -1.234 4.684
88 HD13 LEU 14 HD13 LEU 13 0.395 0.083 4.026
89 HD21 LEU 14 HD21 LEU 13 0.638 -3.239 5.735
90 HD22 LEU 14 HD22 LEU 13 0.656 -2.019 7.010
91 HD23 LEU 14 HD23 LEU 13 2.144 -2.854 6.568
92 HA PRO 15 HA PRO 14 4.988 -6.269 2.693
93 HB2 PRO 15 HB2 PRO 14 3.369 -7.662 4.785
94 HB3 PRO 15 HB3 PRO 14 5.040 -7.960 4.267
95 HG2 PRO 15 HG2 PRO 14 4.517 -6.738 6.560
96 HG3 PRO 15 HG3 PRO 14 5.886 -6.245 5.550
97 HD2 PRO 15 HD2 PRO 14 3.258 -4.905 5.957
98 HD3 PRO 15 HD3 PRO 14 4.866 -4.202 5.674
99 H GLY 16 H GLY 15 1.657 -5.945 3.883
100 HA2 GLY 16 HA2 GLY 15 0.449 -7.813 2.145
101 HA3 GLY 16 HA3 GLY 15 -0.379 -6.482 2.953
102 H CYS 17 H CYS 16 1.122 -4.357 1.825
103 HA CYS 17 HA CYS 16 -0.326 -3.877 -0.538
104 HB2 CYS 17 HB2 CYS 16 1.950 -2.545 0.861
105 HB3 CYS 17 HB3 CYS 16 1.602 -2.075 -0.800
106 HN1 NH2 18 HN1 NH2 102 0.036 -4.668 -2.586
107 HN2 NH2 18 HN2 NH2 102 1.529 -5.233 -3.173
Start of MODEL 17
1 H1 ACE 1 H1 ACE 101 -10.366 -5.793 2.220
2 H2 ACE 1 H2 ACE 101 -9.648 -7.352 2.623
3 H3 ACE 1 H3 ACE 101 -10.508 -7.146 1.098
4 H GLY 2 H1 GLY 1 -7.545 -7.609 2.182
5 HA2 GLY 2 HA2 GLY 1 -5.518 -7.433 1.064
6 HA3 GLY 2 HA3 GLY 1 -6.296 -6.397 -0.127
7 H CYS 3 H CYS 2 -4.141 -5.264 0.185
8 HA CYS 3 HA CYS 2 -3.489 -3.944 2.552
9 HB2 CYS 3 HB2 CYS 2 -2.278 -4.174 0.160
10 HB3 CYS 3 HB3 CYS 2 -2.882 -2.519 0.031
11 HA PRO 4 HA PRO 3 -6.802 -0.910 2.689
12 HB2 PRO 4 HB2 PRO 3 -5.693 0.862 4.466
13 HB3 PRO 4 HB3 PRO 3 -6.435 -0.677 4.944
14 HG2 PRO 4 HG2 PRO 3 -3.555 0.001 4.577
15 HG3 PRO 4 HG3 PRO 3 -4.336 -0.972 5.839
16 HD2 PRO 4 HD2 PRO 3 -3.031 -2.116 3.746
17 HD3 PRO 4 HD3 PRO 3 -4.457 -2.870 4.498
18 H CYS 5 H CYS 4 -3.564 -0.178 1.731
19 HA CYS 5 HA CYS 4 -4.134 2.557 0.952
20 HB2 CYS 5 HB2 CYS 4 -1.743 0.768 0.470
21 HB3 CYS 5 HB3 CYS 4 -1.833 2.465 -0.012
22 H GLU 6 H GLU 5 -4.919 3.198 -0.955
23 HA GLU 6 HA GLU 5 -4.692 1.388 -3.256
24 HB2 GLU 6 HB2 GLU 5 -6.922 1.043 -2.344
25 HB3 GLU 6 HB3 GLU 5 -7.231 2.779 -2.416
26 HG2 GLU 6 HG2 GLU 5 -6.962 2.767 -4.832
27 HG3 GLU 6 HG3 GLU 5 -6.530 1.058 -4.808
28 HA PRO 7 HA PRO 6 -3.822 1.482 -5.195
29 HB2 PRO 7 HB2 PRO 6 -1.367 2.272 -6.094
30 HB3 PRO 7 HB3 PRO 6 -2.857 2.483 -7.035
31 HG2 PRO 7 HG2 PRO 6 -1.414 4.466 -5.339
32 HG3 PRO 7 HG3 PRO 6 -2.129 4.673 -6.942
33 HD2 PRO 7 HD2 PRO 6 -3.391 5.526 -4.721
34 HD3 PRO 7 HD3 PRO 6 -4.286 4.855 -6.104
35 H SER 8 H SER 7 -2.369 -0.061 -4.394
36 HA SER 8 HA SER 7 -1.521 0.272 -1.713
37 HB2 SER 8 HB2 SER 7 -0.679 -1.984 -1.901
38 HB3 SER 8 HB3 SER 7 -2.209 -1.892 -2.767
39 HG SER 8 HG SER 7 0.291 -2.435 -3.678
40 H TYR 9 H TYR 8 0.031 0.880 -4.747
41 HA TYR 9 HA TYR 8 2.721 0.545 -4.009
42 HB2 TYR 9 HB2 TYR 8 3.165 1.350 -6.070
43 HB3 TYR 9 HB3 TYR 8 1.414 1.353 -6.294
44 HD1 TYR 9 HD1 TYR 8 4.388 3.403 -5.698
45 HD2 TYR 9 HD2 TYR 8 0.110 3.423 -5.968
46 HE1 TYR 9 HE1 TYR 8 4.410 5.877 -5.888
47 HE2 TYR 9 HE2 TYR 8 0.121 5.887 -6.158
48 HH TYR 9 HH TYR 8 1.564 7.680 -6.723
49 H LEU 10 H LEU 9 0.398 2.858 -2.983
50 HA LEU 10 HA LEU 9 2.149 5.016 -2.359
51 HB2 LEU 10 HB2 LEU 9 -0.583 4.237 -1.320
52 HB3 LEU 10 HB3 LEU 9 0.258 5.710 -0.837
53 HG LEU 10 HG LEU 9 -0.276 4.994 -3.722
54 HD11 LEU 10 HD11 LEU 9 -2.436 5.242 -2.681
55 HD12 LEU 10 HD12 LEU 9 -2.094 6.748 -3.532
56 HD13 LEU 10 HD13 LEU 9 -1.898 6.660 -1.781
57 HD21 LEU 10 HD21 LEU 9 0.036 7.540 -3.905
58 HD22 LEU 10 HD22 LEU 9 1.483 6.599 -3.551
59 HD23 LEU 10 HD23 LEU 9 0.661 7.470 -2.256
60 H CYS 11 H CYS 10 1.346 2.012 -0.821
61 HA CYS 11 HA CYS 10 2.998 2.794 1.502
62 HB2 CYS 11 HB2 CYS 10 0.689 0.839 1.488
63 HB3 CYS 11 HB3 CYS 10 1.629 1.345 2.891
64 HA PRO 12 HA PRO 11 4.862 -0.822 -0.809
65 HB2 PRO 12 HB2 PRO 11 7.413 0.171 -0.773
66 HB3 PRO 12 HB3 PRO 11 6.236 0.550 -2.049
67 HG2 PRO 12 HG2 PRO 11 7.014 2.158 0.341
68 HG3 PRO 12 HG3 PRO 11 6.753 2.683 -1.332
69 HD2 PRO 12 HD2 PRO 11 4.865 3.033 0.580
70 HD3 PRO 12 HD3 PRO 11 4.439 2.697 -1.104
71 H TRP 13 H TRP 12 5.678 0.949 2.091
72 HA TRP 13 HA TRP 12 7.479 -0.935 3.212
73 HB2 TRP 13 HB2 TRP 12 7.026 0.230 5.339
74 HB3 TRP 13 HB3 TRP 12 7.364 1.371 4.038
75 HD1 TRP 13 HD1 TRP 12 4.463 -0.060 6.096
76 HE1 TRP 13 HE1 TRP 12 2.466 1.562 5.947
77 HE3 TRP 13 HE3 TRP 12 6.293 3.283 2.699
78 HZ2 TRP 13 HZ2 TRP 12 1.742 3.967 4.578
79 HZ3 TRP 13 HZ3 TRP 12 4.935 5.233 1.997
80 HH2 TRP 13 HH2 TRP 12 2.663 5.581 2.931
81 H LEU 14 H LEU 13 4.031 -0.876 2.855
82 HA LEU 14 HA LEU 13 3.541 -2.641 5.063
83 HB2 LEU 14 HB2 LEU 13 1.912 -1.313 3.001
84 HB3 LEU 14 HB3 LEU 13 1.279 -2.844 3.606
85 HG LEU 14 HG LEU 13 2.227 -0.628 5.436
86 HD11 LEU 14 HD11 LEU 13 -0.623 -1.249 4.617
87 HD12 LEU 14 HD12 LEU 13 0.317 0.097 3.970
88 HD13 LEU 14 HD13 LEU 13 -0.082 0.046 5.687
89 HD21 LEU 14 HD21 LEU 13 0.645 -3.187 5.780
90 HD22 LEU 14 HD22 LEU 13 0.637 -1.912 6.998
91 HD23 LEU 14 HD23 LEU 13 2.145 -2.724 6.583
92 HA PRO 15 HA PRO 14 4.988 -6.296 2.805
93 HB2 PRO 15 HB2 PRO 14 3.291 -7.622 4.890
94 HB3 PRO 15 HB3 PRO 14 4.951 -7.998 4.379
95 HG2 PRO 15 HG2 PRO 14 4.519 -6.739 6.652
96 HG3 PRO 15 HG3 PRO 14 5.859 -6.249 5.596
97 HD2 PRO 15 HD2 PRO 14 3.208 -4.902 6.022
98 HD3 PRO 15 HD3 PRO 14 4.812 -4.181 5.757
99 H GLY 16 H GLY 15 1.630 -5.977 3.909
100 HA2 GLY 16 HA2 GLY 15 0.471 -7.850 2.145
101 HA3 GLY 16 HA3 GLY 15 -0.381 -6.531 2.943
102 H CYS 17 H CYS 16 1.110 -4.383 1.842
103 HA CYS 17 HA CYS 16 -0.312 -3.904 -0.532
104 HB2 CYS 17 HB2 CYS 16 1.959 -2.585 0.881
105 HB3 CYS 17 HB3 CYS 16 1.643 -2.123 -0.789
106 HN1 NH2 18 HN1 NH2 102 0.044 -4.712 -2.572
107 HN2 NH2 18 HN2 NH2 102 1.538 -5.274 -3.160
Start of MODEL 18
1 H1 ACE 1 H1 ACE 101 -9.028 -9.215 2.758
2 H2 ACE 1 H2 ACE 101 -7.686 -9.093 3.896
3 H3 ACE 1 H3 ACE 101 -7.841 -10.515 2.864
4 H GLY 2 H1 GLY 1 -6.911 -7.148 3.015
5 HA2 GLY 2 HA2 GLY 1 -5.059 -7.426 0.864
6 HA3 GLY 2 HA3 GLY 1 -6.479 -6.518 0.349
7 H CYS 3 H CYS 2 -4.169 -5.200 0.215
8 HA CYS 3 HA CYS 2 -3.457 -3.892 2.638
9 HB2 CYS 3 HB2 CYS 2 -2.239 -4.146 0.219
10 HB3 CYS 3 HB3 CYS 2 -2.850 -2.491 0.115
11 HA PRO 4 HA PRO 3 -6.821 -0.905 2.605
12 HB2 PRO 4 HB2 PRO 3 -5.819 0.873 4.423
13 HB3 PRO 4 HB3 PRO 3 -6.496 -0.705 4.879
14 HG2 PRO 4 HG2 PRO 3 -3.646 0.105 4.546
15 HG3 PRO 4 HG3 PRO 3 -4.395 -0.897 5.802
16 HD2 PRO 4 HD2 PRO 3 -3.028 -1.964 3.715
17 HD3 PRO 4 HD3 PRO 3 -4.398 -2.794 4.483
18 H CYS 5 H CYS 4 -3.581 -0.179 1.674
19 HA CYS 5 HA CYS 4 -4.114 2.568 0.912
20 HB2 CYS 5 HB2 CYS 4 -1.748 0.738 0.415
21 HB3 CYS 5 HB3 CYS 4 -1.804 2.440 -0.053
22 H GLU 6 H GLU 5 -4.929 3.228 -0.945
23 HA GLU 6 HA GLU 5 -4.736 1.426 -3.252
24 HB2 GLU 6 HB2 GLU 5 -7.237 2.858 -2.367
25 HB3 GLU 6 HB3 GLU 5 -7.034 1.972 -3.881
26 HG2 GLU 6 HG2 GLU 5 -6.482 -0.067 -2.649
27 HG3 GLU 6 HG3 GLU 5 -6.664 0.792 -1.121
28 HA PRO 7 HA PRO 6 -3.877 1.470 -5.155
29 HB2 PRO 7 HB2 PRO 6 -1.392 2.188 -6.075
30 HB3 PRO 7 HB3 PRO 6 -2.876 2.393 -7.020
31 HG2 PRO 7 HG2 PRO 6 -1.394 4.403 -5.396
32 HG3 PRO 7 HG3 PRO 6 -2.113 4.572 -7.005
33 HD2 PRO 7 HD2 PRO 6 -3.351 5.521 -4.797
34 HD3 PRO 7 HD3 PRO 6 -4.273 4.832 -6.153
35 H SER 8 H SER 7 -2.427 -0.086 -4.350
36 HA SER 8 HA SER 7 -1.597 0.285 -1.655
37 HB2 SER 8 HB2 SER 7 -0.848 -1.986 -1.766
38 HB3 SER 8 HB3 SER 7 -2.331 -1.878 -2.708
39 HG SER 8 HG SER 7 -1.189 -2.587 -4.305
40 H TYR 9 H TYR 8 -0.024 0.761 -4.700
41 HA TYR 9 HA TYR 8 2.658 0.398 -3.960
42 HB2 TYR 9 HB2 TYR 8 3.090 1.141 -6.047
43 HB3 TYR 9 HB3 TYR 8 1.338 1.188 -6.252
44 HD1 TYR 9 HD1 TYR 8 4.372 3.166 -5.711
45 HD2 TYR 9 HD2 TYR 8 0.100 3.298 -5.989
46 HE1 TYR 9 HE1 TYR 8 4.465 5.630 -5.960
47 HE2 TYR 9 HE2 TYR 8 0.177 5.755 -6.237
48 HH TYR 9 HH TYR 8 1.647 7.504 -6.804
49 H LEU 10 H LEU 9 0.377 2.789 -2.994
50 HA LEU 10 HA LEU 9 2.145 4.937 -2.449
51 HB2 LEU 10 HB2 LEU 9 -0.554 4.174 -1.334
52 HB3 LEU 10 HB3 LEU 9 0.287 5.660 -0.892
53 HG LEU 10 HG LEU 9 -0.286 4.888 -3.757
54 HD11 LEU 10 HD11 LEU 9 -2.098 6.694 -3.530
55 HD12 LEU 10 HD12 LEU 9 -1.920 6.501 -1.786
56 HD13 LEU 10 HD13 LEU 9 -2.450 5.140 -2.774
57 HD21 LEU 10 HD21 LEU 9 0.002 7.422 -3.998
58 HD22 LEU 10 HD22 LEU 9 1.464 6.514 -3.621
59 HD23 LEU 10 HD23 LEU 9 0.629 7.406 -2.349
60 H CYS 11 H CYS 10 1.324 1.993 -0.772
61 HA CYS 11 HA CYS 10 3.043 2.847 1.482
62 HB2 CYS 11 HB2 CYS 10 0.794 0.833 1.586
63 HB3 CYS 11 HB3 CYS 10 1.708 1.478 2.946
64 HA PRO 12 HA PRO 11 4.947 -0.797 -0.734
65 HB2 PRO 12 HB2 PRO 11 7.495 0.218 -0.662
66 HB3 PRO 12 HB3 PRO 11 6.345 0.542 -1.974
67 HG2 PRO 12 HG2 PRO 11 7.071 2.239 0.368
68 HG3 PRO 12 HG3 PRO 11 6.797 2.703 -1.324
69 HD2 PRO 12 HD2 PRO 11 4.917 3.075 0.599
70 HD3 PRO 12 HD3 PRO 11 4.491 2.715 -1.085
71 H TRP 13 H TRP 12 5.673 0.981 2.183
72 HA TRP 13 HA TRP 12 7.494 -0.875 3.331
73 HB2 TRP 13 HB2 TRP 12 6.963 0.294 5.454
74 HB3 TRP 13 HB3 TRP 12 7.344 1.420 4.151
75 HD1 TRP 13 HD1 TRP 12 4.376 0.010 6.119
76 HE1 TRP 13 HE1 TRP 12 2.392 1.642 5.893
77 HE3 TRP 13 HE3 TRP 12 6.338 3.326 2.770
78 HZ2 TRP 13 HZ2 TRP 12 1.731 4.047 4.492
79 HZ3 TRP 13 HZ3 TRP 12 5.017 5.284 2.016
80 HH2 TRP 13 HH2 TRP 12 2.717 5.646 2.871
81 H LEU 14 H LEU 13 4.070 -0.900 2.863
82 HA LEU 14 HA LEU 13 3.573 -2.677 5.078
83 HB2 LEU 14 HB2 LEU 13 1.937 -1.265 3.075
84 HB3 LEU 14 HB3 LEU 13 1.307 -2.831 3.602
85 HG LEU 14 HG LEU 13 2.272 -0.728 5.553
86 HD11 LEU 14 HD11 LEU 13 0.432 0.250 4.318
87 HD12 LEU 14 HD12 LEU 13 -0.164 -0.255 5.899
88 HD13 LEU 14 HD13 LEU 13 -0.511 -1.233 4.474
89 HD21 LEU 14 HD21 LEU 13 2.177 -2.874 6.602
90 HD22 LEU 14 HD22 LEU 13 0.695 -3.308 5.753
91 HD23 LEU 14 HD23 LEU 13 0.654 -2.100 7.038
92 HA PRO 15 HA PRO 14 4.982 -6.287 2.717
93 HB2 PRO 15 HB2 PRO 14 3.286 -7.659 4.764
94 HB3 PRO 15 HB3 PRO 14 4.958 -7.999 4.273
95 HG2 PRO 15 HG2 PRO 14 4.418 -6.769 6.562
96 HG3 PRO 15 HG3 PRO 14 5.826 -6.318 5.586
97 HD2 PRO 15 HD2 PRO 14 3.244 -4.882 5.963
98 HD3 PRO 15 HD3 PRO 14 4.872 -4.230 5.674
99 H GLY 16 H GLY 15 1.619 -6.003 3.830
100 HA2 GLY 16 HA2 GLY 15 0.478 -7.846 2.021
101 HA3 GLY 16 HA3 GLY 15 -0.389 -6.555 2.847
102 H CYS 17 H CYS 16 1.098 -4.378 1.798
103 HA CYS 17 HA CYS 16 -0.322 -3.836 -0.554
104 HB2 CYS 17 HB2 CYS 16 1.978 -2.557 0.860
105 HB3 CYS 17 HB3 CYS 16 1.617 -2.042 -0.785
106 HN1 NH2 18 HN1 NH2 102 0.051 -4.455 -2.654
107 HN2 NH2 18 HN2 NH2 102 1.519 -5.081 -3.247
Start of MODEL 19
1 H1 ACE 1 H1 ACE 101 -9.241 -7.201 3.883
2 H2 ACE 1 H2 ACE 101 -9.216 -8.599 2.808
3 H3 ACE 1 H3 ACE 101 -10.425 -7.335 2.582
4 H GLY 2 H1 GLY 1 -6.966 -8.048 2.408
5 HA2 GLY 2 HA2 GLY 1 -5.453 -7.381 0.760
6 HA3 GLY 2 HA3 GLY 1 -6.687 -6.316 0.093
7 H CYS 3 H CYS 2 -4.433 -5.070 0.083
8 HA CYS 3 HA CYS 2 -3.638 -3.906 2.564
9 HB2 CYS 3 HB2 CYS 2 -2.470 -4.115 0.113
10 HB3 CYS 3 HB3 CYS 2 -2.989 -2.427 0.101
11 HA PRO 4 HA PRO 3 -6.853 -0.776 2.689
12 HB2 PRO 4 HB2 PRO 3 -5.727 0.974 4.461
13 HB3 PRO 4 HB3 PRO 3 -6.469 -0.562 4.947
14 HG2 PRO 4 HG2 PRO 3 -3.591 0.111 4.560
15 HG3 PRO 4 HG3 PRO 3 -4.364 -0.858 5.829
16 HD2 PRO 4 HD2 PRO 3 -3.078 -1.999 3.717
17 HD3 PRO 4 HD3 PRO 3 -4.480 -2.758 4.507
18 H CYS 5 H CYS 4 -3.612 -0.160 1.677
19 HA CYS 5 HA CYS 4 -4.102 2.603 0.916
20 HB2 CYS 5 HB2 CYS 4 -1.766 0.748 0.393
21 HB3 CYS 5 HB3 CYS 4 -1.810 2.462 -0.029
22 H GLU 6 H GLU 5 -4.945 3.227 -0.981
23 HA GLU 6 HA GLU 5 -4.760 1.387 -3.276
24 HB2 GLU 6 HB2 GLU 5 -6.995 1.152 -2.318
25 HB3 GLU 6 HB3 GLU 5 -7.232 2.899 -2.428
26 HG2 GLU 6 HG2 GLU 5 -7.039 2.842 -4.836
27 HG3 GLU 6 HG3 GLU 5 -6.606 1.134 -4.803
28 HA PRO 7 HA PRO 6 -3.863 1.425 -5.200
29 HB2 PRO 7 HB2 PRO 6 -1.381 2.168 -6.118
30 HB3 PRO 7 HB3 PRO 6 -2.866 2.363 -7.064
31 HG2 PRO 7 HG2 PRO 6 -1.404 4.381 -5.430
32 HG3 PRO 7 HG3 PRO 6 -2.129 4.547 -7.036
33 HD2 PRO 7 HD2 PRO 6 -3.373 5.477 -4.827
34 HD3 PRO 7 HD3 PRO 6 -4.287 4.782 -6.186
35 H SER 8 H SER 7 -2.470 -0.128 -4.340
36 HA SER 8 HA SER 7 -1.607 0.257 -1.673
37 HB2 SER 8 HB2 SER 7 -0.848 -2.018 -1.783
38 HB3 SER 8 HB3 SER 7 -2.335 -1.917 -2.718
39 HG SER 8 HG SER 7 0.159 -2.579 -3.507
40 H TYR 9 H TYR 8 -0.025 0.765 -4.711
41 HA TYR 9 HA TYR 8 2.649 0.378 -3.938
42 HB2 TYR 9 HB2 TYR 8 3.138 1.138 -6.004
43 HB3 TYR 9 HB3 TYR 8 1.391 1.166 -6.255
44 HD1 TYR 9 HD1 TYR 8 4.392 3.174 -5.674
45 HD2 TYR 9 HD2 TYR 8 0.119 3.270 -5.980
46 HE1 TYR 9 HE1 TYR 8 4.465 5.641 -5.922
47 HE2 TYR 9 HE2 TYR 8 0.180 5.726 -6.230
48 HH TYR 9 HH TYR 8 3.160 7.445 -6.716
49 H LEU 10 H LEU 9 0.375 2.772 -2.988
50 HA LEU 10 HA LEU 9 2.146 4.913 -2.411
51 HB2 LEU 10 HB2 LEU 9 -0.587 4.190 -1.342
52 HB3 LEU 10 HB3 LEU 9 0.268 5.667 -0.901
53 HG LEU 10 HG LEU 9 -0.275 4.883 -3.770
54 HD11 LEU 10 HD11 LEU 9 -1.908 6.550 -1.842
55 HD12 LEU 10 HD12 LEU 9 -2.444 5.172 -2.803
56 HD13 LEU 10 HD13 LEU 9 -2.063 6.702 -3.592
57 HD21 LEU 10 HD21 LEU 9 0.058 7.416 -4.012
58 HD22 LEU 10 HD22 LEU 9 1.499 6.482 -3.618
59 HD23 LEU 10 HD23 LEU 9 0.664 7.392 -2.358
60 H CYS 11 H CYS 10 1.423 1.928 -0.801
61 HA CYS 11 HA CYS 10 3.026 2.827 1.525
62 HB2 CYS 11 HB2 CYS 10 0.783 0.791 1.539
63 HB3 CYS 11 HB3 CYS 10 1.687 1.373 2.939
64 HA PRO 12 HA PRO 11 5.033 -0.786 -0.672
65 HB2 PRO 12 HB2 PRO 11 7.560 0.287 -0.604
66 HB3 PRO 12 HB3 PRO 11 6.406 0.570 -1.926
67 HG2 PRO 12 HG2 PRO 11 7.080 2.309 0.401
68 HG3 PRO 12 HG3 PRO 11 6.810 2.747 -1.298
69 HD2 PRO 12 HD2 PRO 11 4.897 3.101 0.594
70 HD3 PRO 12 HD3 PRO 11 4.497 2.696 -1.083
71 H TRP 13 H TRP 12 5.638 1.032 2.238
72 HA TRP 13 HA TRP 12 7.489 -0.776 3.429
73 HB2 TRP 13 HB2 TRP 12 6.869 0.383 5.550
74 HB3 TRP 13 HB3 TRP 12 7.346 1.491 4.264
75 HD1 TRP 13 HD1 TRP 12 4.245 0.179 6.096
76 HE1 TRP 13 HE1 TRP 12 2.315 1.853 5.748
77 HE3 TRP 13 HE3 TRP 12 6.450 3.398 2.800
78 HZ2 TRP 13 HZ2 TRP 12 1.780 4.245 4.273
79 HZ3 TRP 13 HZ3 TRP 12 5.210 5.367 1.946
80 HH2 TRP 13 HH2 TRP 12 2.880 5.794 2.677
81 H LEU 14 H LEU 13 4.128 -0.987 2.809
82 HA LEU 14 HA LEU 13 3.641 -2.765 5.054
83 HB2 LEU 14 HB2 LEU 13 1.978 -1.336 3.063
84 HB3 LEU 14 HB3 LEU 13 1.357 -2.892 3.627
85 HG LEU 14 HG LEU 13 2.326 -0.730 5.514
86 HD11 LEU 14 HD11 LEU 13 0.395 0.057 4.140
87 HD12 LEU 14 HD12 LEU 13 -0.022 -0.136 5.842
88 HD13 LEU 14 HD13 LEU 13 -0.519 -1.354 4.669
89 HD21 LEU 14 HD21 LEU 13 2.288 -2.846 6.613
90 HD22 LEU 14 HD22 LEU 13 0.802 -3.331 5.798
91 HD23 LEU 14 HD23 LEU 13 0.756 -2.094 7.053
92 HA PRO 15 HA PRO 14 5.081 -6.248 2.502
93 HB2 PRO 15 HB2 PRO 14 3.549 -7.726 4.610
94 HB3 PRO 15 HB3 PRO 14 5.180 -8.037 3.981
95 HG2 PRO 15 HG2 PRO 14 4.870 -6.913 6.337
96 HG3 PRO 15 HG3 PRO 14 6.124 -6.328 5.226
97 HD2 PRO 15 HD2 PRO 14 3.471 -5.092 5.895
98 HD3 PRO 15 HD3 PRO 14 5.034 -4.306 5.575
99 H GLY 16 H GLY 15 1.797 -6.057 3.821
100 HA2 GLY 16 HA2 GLY 15 0.555 -7.888 2.079
101 HA3 GLY 16 HA3 GLY 15 -0.261 -6.596 2.952
102 H CYS 17 H CYS 16 1.125 -4.406 1.809
103 HA CYS 17 HA CYS 16 -0.440 -3.902 -0.467
104 HB2 CYS 17 HB2 CYS 16 1.893 -2.573 0.838
105 HB3 CYS 17 HB3 CYS 16 1.467 -2.081 -0.800
106 HN1 NH2 18 HN1 NH2 102 -0.187 -4.634 -2.551
107 HN2 NH2 18 HN2 NH2 102 1.277 -5.173 -3.234
Start of MODEL 20
1 H1 ACE 1 H1 ACE 101 -3.593 -9.465 -0.699
2 H2 ACE 1 H2 ACE 101 -2.240 -8.498 -0.108
3 H3 ACE 1 H3 ACE 101 -3.241 -7.901 -1.432
4 H GLY 2 H1 GLY 1 -5.478 -7.335 -0.953
5 HA2 GLY 2 HA2 GLY 1 -7.082 -6.247 0.298
6 HA3 GLY 2 HA3 GLY 1 -6.600 -7.303 1.619
7 H CYS 3 H CYS 2 -4.362 -5.058 0.078
8 HA CYS 3 HA CYS 2 -3.612 -3.924 2.557
9 HB2 CYS 3 HB2 CYS 2 -2.444 -4.082 0.109
10 HB3 CYS 3 HB3 CYS 2 -2.975 -2.398 0.113
11 HA PRO 4 HA PRO 3 -6.833 -0.826 2.807
12 HB2 PRO 4 HB2 PRO 3 -5.630 0.915 4.552
13 HB3 PRO 4 HB3 PRO 3 -6.385 -0.611 5.050
14 HG2 PRO 4 HG2 PRO 3 -3.509 0.011 4.578
15 HG3 PRO 4 HG3 PRO 3 -4.263 -0.945 5.870
16 HD2 PRO 4 HD2 PRO 3 -3.062 -2.112 3.738
17 HD3 PRO 4 HD3 PRO 3 -4.483 -2.834 4.531
18 H CYS 5 H CYS 4 -3.622 -0.180 1.708
19 HA CYS 5 HA CYS 4 -4.174 2.573 0.941
20 HB2 CYS 5 HB2 CYS 4 -1.790 0.776 0.407
21 HB3 CYS 5 HB3 CYS 4 -1.884 2.482 -0.031
22 H GLU 6 H GLU 5 -4.808 3.262 -1.013
23 HA GLU 6 HA GLU 5 -4.718 1.407 -3.279
24 HB2 GLU 6 HB2 GLU 5 -7.093 2.281 -3.834
25 HB3 GLU 6 HB3 GLU 5 -6.910 0.990 -2.651
26 HG2 GLU 6 HG2 GLU 5 -7.052 2.611 -0.819
27 HG3 GLU 6 HG3 GLU 5 -7.151 3.939 -1.976
28 HA PRO 7 HA PRO 6 -3.841 1.442 -5.201
29 HB2 PRO 7 HB2 PRO 6 -1.368 2.188 -6.113
30 HB3 PRO 7 HB3 PRO 6 -2.850 2.374 -7.064
31 HG2 PRO 7 HG2 PRO 6 -1.387 4.400 -5.445
32 HG3 PRO 7 HG3 PRO 6 -2.126 4.561 -7.047
33 HD2 PRO 7 HD2 PRO 6 -3.349 5.493 -4.820
34 HD3 PRO 7 HD3 PRO 6 -4.274 4.808 -6.178
35 H SER 8 H SER 7 -2.476 -0.121 -4.337
36 HA SER 8 HA SER 7 -1.591 0.261 -1.680
37 HB2 SER 8 HB2 SER 7 -0.834 -2.014 -1.793
38 HB3 SER 8 HB3 SER 7 -2.329 -1.909 -2.717
39 HG SER 8 HG SER 7 0.336 -2.095 -3.616
40 H TYR 9 H TYR 8 -0.018 0.754 -4.723
41 HA TYR 9 HA TYR 8 2.660 0.369 -3.963
42 HB2 TYR 9 HB2 TYR 8 3.131 1.099 -6.043
43 HB3 TYR 9 HB3 TYR 8 1.382 1.149 -6.277
44 HD1 TYR 9 HD1 TYR 8 4.421 3.101 -5.794
45 HD2 TYR 9 HD2 TYR 8 0.139 3.288 -5.942
46 HE1 TYR 9 HE1 TYR 8 4.538 5.564 -6.056
47 HE2 TYR 9 HE2 TYR 8 0.245 5.744 -6.206
48 HH TYR 9 HH TYR 8 2.548 7.380 -7.231
49 H LEU 10 H LEU 9 0.401 2.773 -3.023
50 HA LEU 10 HA LEU 9 2.196 4.910 -2.464
51 HB2 LEU 10 HB2 LEU 9 -0.552 4.216 -1.414
52 HB3 LEU 10 HB3 LEU 9 0.315 5.679 -0.952
53 HG LEU 10 HG LEU 9 -0.216 4.928 -3.831
54 HD11 LEU 10 HD11 LEU 9 -1.818 6.657 -1.925
55 HD12 LEU 10 HD12 LEU 9 -2.382 5.239 -2.810
56 HD13 LEU 10 HD13 LEU 9 -1.999 6.726 -3.678
57 HD21 LEU 10 HD21 LEU 9 1.575 6.498 -3.664
58 HD22 LEU 10 HD22 LEU 9 0.762 7.402 -2.387
59 HD23 LEU 10 HD23 LEU 9 0.152 7.465 -4.041
60 H CYS 11 H CYS 10 1.403 1.956 -0.826
61 HA CYS 11 HA CYS 10 3.015 2.848 1.494
62 HB2 CYS 11 HB2 CYS 10 0.763 0.821 1.540
63 HB3 CYS 11 HB3 CYS 10 1.659 1.443 2.924
64 HA PRO 12 HA PRO 11 4.977 -0.784 -0.685
65 HB2 PRO 12 HB2 PRO 11 7.516 0.269 -0.608
66 HB3 PRO 12 HB3 PRO 11 6.373 0.547 -1.936
67 HG2 PRO 12 HG2 PRO 11 7.061 2.306 0.366
68 HG3 PRO 12 HG3 PRO 11 6.777 2.727 -1.335
69 HD2 PRO 12 HD2 PRO 11 4.889 3.102 0.586
70 HD3 PRO 12 HD3 PRO 11 4.470 2.711 -1.091
71 H TRP 13 H TRP 12 5.617 1.024 2.232
72 HA TRP 13 HA TRP 12 7.467 -0.779 3.416
73 HB2 TRP 13 HB2 TRP 12 6.834 0.372 5.540
74 HB3 TRP 13 HB3 TRP 12 7.296 1.483 4.250
75 HD1 TRP 13 HD1 TRP 12 4.203 0.132 6.069
76 HE1 TRP 13 HE1 TRP 12 2.265 1.798 5.737
77 HE3 TRP 13 HE3 TRP 12 6.393 3.390 2.804
78 HZ2 TRP 13 HZ2 TRP 12 1.719 4.201 4.285
79 HZ3 TRP 13 HZ3 TRP 12 5.144 5.361 1.968
80 HH2 TRP 13 HH2 TRP 12 2.811 5.771 2.703
81 H LEU 14 H LEU 13 4.082 -0.959 2.877
82 HA LEU 14 HA LEU 13 3.594 -2.774 5.084
83 HB2 LEU 14 HB2 LEU 13 1.948 -1.357 3.075
84 HB3 LEU 14 HB3 LEU 13 1.325 -2.913 3.635
85 HG LEU 14 HG LEU 13 2.263 -0.743 5.529
86 HD11 LEU 14 HD11 LEU 13 0.366 0.104 4.206
87 HD12 LEU 14 HD12 LEU 13 -0.137 -0.236 5.862
88 HD13 LEU 14 HD13 LEU 13 -0.549 -1.361 4.567
89 HD21 LEU 14 HD21 LEU 13 0.691 -2.113 7.053
90 HD22 LEU 14 HD22 LEU 13 2.219 -2.873 6.615
91 HD23 LEU 14 HD23 LEU 13 0.733 -3.345 5.792
92 HA PRO 15 HA PRO 14 5.063 -6.252 2.547
93 HB2 PRO 15 HB2 PRO 14 3.493 -7.724 4.634
94 HB3 PRO 15 HB3 PRO 14 5.132 -8.038 4.027
95 HG2 PRO 15 HG2 PRO 14 4.801 -6.910 6.376
96 HG3 PRO 15 HG3 PRO 14 6.061 -6.319 5.277
97 HD2 PRO 15 HD2 PRO 14 3.390 -5.104 5.907
98 HD3 PRO 15 HD3 PRO 14 4.956 -4.305 5.627
99 H GLY 16 H GLY 15 1.758 -6.051 3.814
100 HA2 GLY 16 HA2 GLY 15 0.548 -7.872 2.039
101 HA3 GLY 16 HA3 GLY 15 -0.285 -6.585 2.905
102 H CYS 17 H CYS 16 1.130 -4.391 1.798
103 HA CYS 17 HA CYS 16 -0.378 -3.882 -0.516
104 HB2 CYS 17 HB2 CYS 16 1.919 -2.555 0.854
105 HB3 CYS 17 HB3 CYS 16 1.524 -2.051 -0.788
106 HN1 NH2 18 HN1 NH2 102 -0.044 -4.576 -2.616
107 HN2 NH2 18 HN2 NH2 102 1.443 -5.115 -3.244