Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22520 | 2jp5 RC | 15218 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ALA 1 HA ALA 1 -10.001 2.037 -1.183
2 H1 ALA 1 1H ALA 1 -9.229 4.403 -1.069
3 HB1 ALA 1 3HB ALA 1 -8.217 1.457 -2.528
4 HB2 ALA 1 1HB ALA 1 -7.914 3.205 -2.374
5 HB3 ALA 1 2HB ALA 1 -7.006 2.051 -1.366
6 H THR 2 H THR 2 -7.811 0.076 -0.728
7 HA THR 2 HA THR 2 -7.470 0.003 2.139
8 HB THR 2 HB THR 2 -8.901 -1.845 2.559
9 HG1 THR 2 HG1 THR 2 -8.777 -2.043 -0.366
10 HG21 THR 2 3HG2 THR 2 -10.272 -0.355 0.256
11 HG22 THR 2 1HG2 THR 2 -11.088 -1.435 1.411
12 HG23 THR 2 2HG2 THR 2 -10.372 0.092 1.977
13 H TRP 3 H TRP 3 -6.298 -2.117 2.765
14 HA TRP 3 HA TRP 3 -4.353 -3.180 2.577
15 HD1 TRP 3 HD1 TRP 3 -5.099 -4.847 -1.978
16 HE1 TRP 3 HE1 TRP 3 -2.794 -5.560 -3.047
17 HE3 TRP 3 HE3 TRP 3 -2.374 -4.368 2.288
18 HZ2 TRP 3 HZ2 TRP 3 -0.150 -5.838 -2.012
19 HZ3 TRP 3 HZ3 TRP 3 0.063 -4.880 2.173
20 HH2 TRP 3 HH2 TRP 3 1.178 -5.593 0.118
21 HB2 TRP 3 1HB TRP 3 -5.261 -4.968 1.578
22 HB3 TRP 3 2HB TRP 3 -6.027 -4.026 0.314
23 H LEU 4 H LEU 4 -3.037 -1.238 2.645
24 HA LEU 4 HA LEU 4 -2.274 -0.119 0.076
25 HG LEU 4 HG LEU 4 -2.980 0.492 3.658
26 HB2 LEU 4 1HB LEU 4 -0.942 0.895 2.469
27 HB3 LEU 4 2HB LEU 4 -1.777 1.746 1.185
28 HD11 LEU 4 1HD1 LEU 4 -2.252 3.211 2.818
29 HD12 LEU 4 2HD1 LEU 4 -3.900 3.065 3.476
30 HD13 LEU 4 3HD1 LEU 4 -2.505 2.533 4.444
31 HD21 LEU 4 3HD2 LEU 4 -4.836 0.078 2.507
32 HD22 LEU 4 1HD2 LEU 4 -5.024 1.839 2.330
33 HD23 LEU 4 2HD2 LEU 4 -4.209 0.899 1.057
34 HA PRO 5 HA PRO 5 1.133 -2.872 0.108
35 HB2 PRO 5 1HB PRO 5 1.923 -2.435 -2.472
36 HB3 PRO 5 2HB PRO 5 0.703 -3.613 -2.029
37 HG2 PRO 5 1HG PRO 5 0.349 -0.959 -3.284
38 HG3 PRO 5 2HG PRO 5 -0.774 -2.303 -3.223
39 HD2 PRO 5 1HD PRO 5 -0.871 0.086 -1.638
40 HD3 PRO 5 2HD PRO 5 -1.923 -1.308 -1.498
41 HA PRO 6 HA PRO 6 4.283 -0.173 1.057
42 HB2 PRO 6 1HB PRO 6 6.291 -1.955 1.566
43 HB3 PRO 6 2HB PRO 6 5.068 -1.525 2.746
44 HG2 PRO 6 1HG PRO 6 5.320 -4.005 1.156
45 HG3 PRO 6 2HG PRO 6 4.387 -3.725 2.613
46 HD2 PRO 6 1HD PRO 6 3.379 -3.878 -0.068
47 HD3 PRO 6 2HD PRO 6 2.465 -3.483 1.375
48 H ARG 7 H ARG 7 5.615 1.139 -0.052
49 HA ARG 7 HA ARG 7 6.848 1.823 -1.687
50 HE ARG 7 HE ARG 7 10.731 -0.878 -3.385
51 HB2 ARG 7 1HB ARG 7 7.825 -0.906 -1.210
52 HB3 ARG 7 2HB ARG 7 8.058 -0.452 -2.885
53 HG2 ARG 7 1HG ARG 7 8.775 1.761 -1.099
54 HG3 ARG 7 2HG ARG 7 9.661 0.310 -0.677
55 HD2 ARG 7 1HD ARG 7 9.466 1.120 -3.591
56 HD3 ARG 7 2HD ARG 7 10.600 1.954 -2.547
57 HH11 ARG 7 2HH2 ARG 7 12.004 1.631 -1.231
58 HH12 ARG 7 1HH2 ARG 7 13.474 0.776 -0.900
59 HH21 ARG 7 2HH1 ARG 7 13.843 -1.361 -1.920
Start of MODEL 2
1 HA ALA 1 HA ALA 1 -9.141 2.494 -1.919
2 H1 ALA 1 1H ALA 1 -7.614 4.423 -0.308
3 HB1 ALA 1 3HB ALA 1 -7.083 3.396 -3.057
4 HB2 ALA 1 1HB ALA 1 -6.113 2.724 -1.724
5 HB3 ALA 1 2HB ALA 1 -7.046 1.638 -2.782
6 H THR 2 H THR 2 -7.149 0.387 -1.275
7 HA THR 2 HA THR 2 -7.175 0.200 1.608
8 HB THR 2 HB THR 2 -8.756 -1.563 1.775
9 HG1 THR 2 HG1 THR 2 -7.853 -2.812 0.007
10 HG21 THR 2 3HG2 THR 2 -10.022 0.481 1.093
11 HG22 THR 2 1HG2 THR 2 -9.735 0.084 -0.618
12 HG23 THR 2 2HG2 THR 2 -10.754 -0.978 0.385
13 H TRP 3 H TRP 3 -6.230 -2.022 2.283
14 HA TRP 3 HA TRP 3 -4.347 -3.205 2.295
15 HD1 TRP 3 HD1 TRP 3 -4.590 -4.637 -2.395
16 HE1 TRP 3 HE1 TRP 3 -2.212 -5.460 -3.191
17 HE3 TRP 3 HE3 TRP 3 -2.424 -4.511 2.205
18 HZ2 TRP 3 HZ2 TRP 3 0.252 -5.955 -1.838
19 HZ3 TRP 3 HZ3 TRP 3 -0.029 -5.180 2.380
20 HH2 TRP 3 HH2 TRP 3 1.301 -5.883 0.454
21 HB2 TRP 3 1HB TRP 3 -5.225 -4.888 1.102
22 HB3 TRP 3 2HB TRP 3 -5.758 -3.847 -0.204
23 H LEU 4 H LEU 4 -2.934 -1.361 2.624
24 HA LEU 4 HA LEU 4 -1.774 -0.195 0.232
25 HG LEU 4 HG LEU 4 -2.906 0.320 3.718
26 HB2 LEU 4 1HB LEU 4 -0.708 0.633 2.822
27 HB3 LEU 4 2HB LEU 4 -1.314 1.588 1.483
28 HD11 LEU 4 1HD1 LEU 4 -1.670 2.814 3.473
29 HD12 LEU 4 2HD1 LEU 4 -3.396 3.121 3.165
30 HD13 LEU 4 3HD1 LEU 4 -2.890 2.326 4.674
31 HD21 LEU 4 3HD2 LEU 4 -3.763 0.687 1.039
32 HD22 LEU 4 1HD2 LEU 4 -4.726 0.217 2.460
33 HD23 LEU 4 2HD2 LEU 4 -4.554 1.936 2.030
34 HA PRO 5 HA PRO 5 1.425 -3.167 0.568
35 HB2 PRO 5 1HB PRO 5 2.572 -2.682 -1.865
36 HB3 PRO 5 2HB PRO 5 1.234 -3.792 -1.640
37 HG2 PRO 5 1HG PRO 5 1.211 -1.073 -2.800
38 HG3 PRO 5 2HG PRO 5 0.009 -2.341 -2.949
39 HD2 PRO 5 1HD PRO 5 -0.148 -0.015 -1.276
40 HD3 PRO 5 2HD PRO 5 -1.292 -1.340 -1.340
41 HA PRO 6 HA PRO 6 4.582 -0.724 2.043
42 HB2 PRO 6 1HB PRO 6 6.391 -2.656 2.721
43 HB3 PRO 6 2HB PRO 6 5.053 -2.193 3.753
44 HG2 PRO 6 1HG PRO 6 5.360 -4.619 2.092
45 HG3 PRO 6 2HG PRO 6 4.262 -4.335 3.428
46 HD2 PRO 6 1HD PRO 6 3.607 -4.314 0.635
47 HD3 PRO 6 2HD PRO 6 2.538 -3.916 1.966
48 H ARG 7 H ARG 7 6.494 0.316 1.468
49 HA ARG 7 HA ARG 7 7.218 -0.422 -1.218
50 HE ARG 7 HE ARG 7 9.607 -0.069 -2.485
51 HB2 ARG 7 1HB ARG 7 6.991 2.038 0.220
52 HB3 ARG 7 2HB ARG 7 8.697 1.860 -0.138
53 HG2 ARG 7 1HG ARG 7 6.661 1.345 -2.323
54 HG3 ARG 7 2HG ARG 7 7.075 2.995 -1.908
55 HD2 ARG 7 1HD ARG 7 8.611 2.449 -3.641
56 HD3 ARG 7 2HD ARG 7 9.561 2.274 -2.179
57 HH11 ARG 7 2HH2 ARG 7 7.340 1.406 -4.774
58 HH12 ARG 7 1HH2 ARG 7 7.160 -0.037 -5.715
59 HH21 ARG 7 2HH1 ARG 7 8.362 -2.011 -5.081
Start of MODEL 3
1 HA ALA 1 HA ALA 1 -9.928 2.144 -1.311
2 H1 ALA 1 1H ALA 1 -9.042 4.041 0.427
3 HB1 ALA 1 3HB ALA 1 -8.067 3.001 -2.797
4 HB2 ALA 1 1HB ALA 1 -6.910 2.413 -1.579
5 HB3 ALA 1 2HB ALA 1 -7.976 1.264 -2.422
6 H THR 2 H THR 2 -7.784 0.142 -0.797
7 HA THR 2 HA THR 2 -7.397 0.199 2.065
8 HB THR 2 HB THR 2 -8.872 -1.584 2.597
9 HG1 THR 2 HG1 THR 2 -9.103 -1.939 -0.306
10 HG21 THR 2 3HG2 THR 2 -10.239 -0.169 0.246
11 HG22 THR 2 1HG2 THR 2 -11.066 -1.169 1.465
12 HG23 THR 2 2HG2 THR 2 -10.297 0.364 1.943
13 H TRP 3 H TRP 3 -6.289 -1.939 2.771
14 HA TRP 3 HA TRP 3 -4.386 -3.076 2.608
15 HD1 TRP 3 HD1 TRP 3 -5.206 -4.864 -1.889
16 HE1 TRP 3 HE1 TRP 3 -2.930 -5.687 -2.941
17 HE3 TRP 3 HE3 TRP 3 -2.450 -4.339 2.352
18 HZ2 TRP 3 HZ2 TRP 3 -0.292 -6.019 -1.905
19 HZ3 TRP 3 HZ3 TRP 3 -0.032 -4.935 2.246
20 HH2 TRP 3 HH2 TRP 3 1.052 -5.750 0.213
21 HB2 TRP 3 1HB TRP 3 -5.358 -4.865 1.670
22 HB3 TRP 3 2HB TRP 3 -6.097 -3.939 0.379
23 H LEU 4 H LEU 4 -3.007 -1.178 2.609
24 HA LEU 4 HA LEU 4 -2.220 -0.168 0.003
25 HG LEU 4 HG LEU 4 -2.890 0.581 3.566
26 HB2 LEU 4 1HB LEU 4 -0.844 0.879 2.357
27 HB3 LEU 4 2HB LEU 4 -1.658 1.716 1.048
28 HD11 LEU 4 1HD1 LEU 4 -3.475 3.345 2.797
29 HD12 LEU 4 2HD1 LEU 4 -2.929 2.671 4.351
30 HD13 LEU 4 3HD1 LEU 4 -1.743 3.036 3.074
31 HD21 LEU 4 3HD2 LEU 4 -4.952 1.865 2.340
32 HD22 LEU 4 1HD2 LEU 4 -4.135 1.115 0.948
33 HD23 LEU 4 2HD2 LEU 4 -4.686 0.105 2.306
34 HA PRO 5 HA PRO 5 1.097 -3.026 0.110
35 HB2 PRO 5 1HB PRO 5 1.887 -2.699 -2.485
36 HB3 PRO 5 2HB PRO 5 0.632 -3.821 -2.000
37 HG2 PRO 5 1HG PRO 5 0.358 -1.200 -3.338
38 HG3 PRO 5 2HG PRO 5 -0.808 -2.504 -3.231
39 HD2 PRO 5 1HD PRO 5 -0.819 -0.063 -1.724
40 HD3 PRO 5 2HD PRO 5 -1.916 -1.416 -1.534
41 HA PRO 6 HA PRO 6 4.336 -0.402 0.960
42 HB2 PRO 6 1HB PRO 6 6.287 -2.231 1.521
43 HB3 PRO 6 2HB PRO 6 5.085 -1.725 2.690
44 HG2 PRO 6 1HG PRO 6 5.248 -4.261 1.181
45 HG3 PRO 6 2HG PRO 6 4.332 -3.903 2.632
46 HD2 PRO 6 1HD PRO 6 3.307 -4.111 -0.040
47 HD3 PRO 6 2HD PRO 6 2.413 -3.639 1.392
48 H ARG 7 H ARG 7 5.910 0.752 -0.069
49 HA ARG 7 HA ARG 7 6.935 1.401 -1.876
50 HE ARG 7 HE ARG 7 10.782 0.694 -3.997
51 HB2 ARG 7 1HB ARG 7 8.119 -1.212 -1.087
52 HB3 ARG 7 2HB ARG 7 8.498 -0.749 -2.735
53 HG2 ARG 7 1HG ARG 7 8.828 1.205 -0.425
54 HG3 ARG 7 2HG ARG 7 10.095 0.072 -0.849
55 HD2 ARG 7 1HD ARG 7 8.904 1.720 -3.076
56 HD3 ARG 7 2HD ARG 7 9.962 2.537 -1.943
57 HH11 ARG 7 2HH2 ARG 7 11.552 1.605 -0.661
58 HH12 ARG 7 1HH2 ARG 7 13.201 1.089 -0.769
59 HH21 ARG 7 2HH1 ARG 7 14.007 0.156 -2.824
Start of MODEL 4
1 HA ALA 1 HA ALA 1 -9.235 2.138 -1.840
2 H1 ALA 1 1H ALA 1 -9.465 4.220 -1.103
3 HB1 ALA 1 3HB ALA 1 -6.827 3.544 -2.207
4 HB2 ALA 1 1HB ALA 1 -6.334 1.937 -1.621
5 HB3 ALA 1 2HB ALA 1 -7.354 2.080 -3.073
6 H THR 2 H THR 2 -7.107 0.188 -1.226
7 HA THR 2 HA THR 2 -7.210 -0.173 1.638
8 HB THR 2 HB THR 2 -8.637 -2.070 1.646
9 HG1 THR 2 HG1 THR 2 -8.395 -2.003 -1.274
10 HG21 THR 2 3HG2 THR 2 -9.677 -0.372 -0.685
11 HG22 THR 2 1HG2 THR 2 -10.632 -1.573 0.217
12 HG23 THR 2 2HG2 THR 2 -10.053 -0.102 1.034
13 H TRP 3 H TRP 3 -6.095 -2.339 2.224
14 HA TRP 3 HA TRP 3 -4.097 -3.323 2.244
15 HD1 TRP 3 HD1 TRP 3 -4.163 -4.656 -2.480
16 HE1 TRP 3 HE1 TRP 3 -1.714 -5.246 -3.266
17 HE3 TRP 3 HE3 TRP 3 -2.065 -4.450 2.148
18 HZ2 TRP 3 HZ2 TRP 3 0.770 -5.553 -1.896
19 HZ3 TRP 3 HZ3 TRP 3 0.379 -4.908 2.335
20 HH2 TRP 3 HH2 TRP 3 1.786 -5.444 0.409
21 HB2 TRP 3 1HB TRP 3 -4.809 -5.048 1.001
22 HB3 TRP 3 2HB TRP 3 -5.420 -4.027 -0.285
23 H LEU 4 H LEU 4 -2.857 -1.369 2.633
24 HA LEU 4 HA LEU 4 -1.781 -0.046 0.283
25 HG LEU 4 HG LEU 4 -2.990 0.281 3.767
26 HB2 LEU 4 1HB LEU 4 -0.820 0.810 2.904
27 HB3 LEU 4 2HB LEU 4 -1.494 1.739 1.580
28 HD11 LEU 4 1HD1 LEU 4 -2.039 2.948 3.467
29 HD12 LEU 4 2HD1 LEU 4 -3.816 2.983 3.381
30 HD13 LEU 4 3HD1 LEU 4 -3.007 2.248 4.786
31 HD21 LEU 4 3HD2 LEU 4 -4.721 1.806 2.040
32 HD22 LEU 4 1HD2 LEU 4 -3.850 0.568 1.103
33 HD23 LEU 4 2HD2 LEU 4 -4.816 0.095 2.521
34 HA PRO 5 HA PRO 5 1.666 -2.730 0.589
35 HB2 PRO 5 1HB PRO 5 2.789 -2.087 -1.818
36 HB3 PRO 5 2HB PRO 5 1.554 -3.316 -1.635
37 HG2 PRO 5 1HG PRO 5 1.300 -0.583 -2.732
38 HG3 PRO 5 2HG PRO 5 0.218 -1.948 -2.925
39 HD2 PRO 5 1HD PRO 5 -0.163 0.313 -1.202
40 HD3 PRO 5 2HD PRO 5 -1.185 -1.107 -1.309
41 HA PRO 6 HA PRO 6 4.577 -0.052 2.157
42 HB2 PRO 6 1HB PRO 6 6.546 -1.831 2.813
43 HB3 PRO 6 2HB PRO 6 5.161 -1.513 3.839
44 HG2 PRO 6 1HG PRO 6 5.699 -3.863 2.127
45 HG3 PRO 6 2HG PRO 6 4.567 -3.709 3.456
46 HD2 PRO 6 1HD PRO 6 3.942 -3.680 0.656
47 HD3 PRO 6 2HD PRO 6 2.827 -3.410 1.982
48 H ARG 7 H ARG 7 6.547 1.053 1.733
49 HA ARG 7 HA ARG 7 8.063 0.024 -0.437
50 HE ARG 7 HE ARG 7 9.612 -0.680 -2.385
51 HB2 ARG 7 1HB ARG 7 5.958 2.027 -0.904
52 HB3 ARG 7 2HB ARG 7 7.529 2.647 -1.369
53 HG2 ARG 7 1HG ARG 7 6.562 -0.106 -2.248
54 HG3 ARG 7 2HG ARG 7 6.197 1.341 -3.168
55 HD2 ARG 7 1HD ARG 7 8.213 1.101 -4.189
56 HD3 ARG 7 2HD ARG 7 8.967 1.545 -2.671
57 HH11 ARG 7 2HH2 ARG 7 6.911 -0.588 -4.678
58 HH12 ARG 7 1HH2 ARG 7 6.994 -2.281 -5.034
59 HH21 ARG 7 2HH1 ARG 7 8.653 -3.629 -3.951
Start of MODEL 5
1 HA ALA 1 HA ALA 1 -8.850 2.837 -1.883
2 H1 ALA 1 1H ALA 1 -8.752 4.645 -0.198
3 HB1 ALA 1 3HB ALA 1 -6.040 2.194 -1.764
4 HB2 ALA 1 1HB ALA 1 -7.050 2.532 -3.190
5 HB3 ALA 1 2HB ALA 1 -6.234 3.866 -2.341
6 H THR 2 H THR 2 -7.066 0.644 -1.176
7 HA THR 2 HA THR 2 -7.030 0.546 1.711
8 HB THR 2 HB THR 2 -8.750 -1.067 1.973
9 HG1 THR 2 HG1 THR 2 -8.329 -1.320 -0.917
10 HG21 THR 2 3HG2 THR 2 -9.857 1.055 1.253
11 HG22 THR 2 1HG2 THR 2 -9.648 0.581 -0.450
12 HG23 THR 2 2HG2 THR 2 -10.727 -0.358 0.609
13 H TRP 3 H TRP 3 -6.254 -1.724 2.435
14 HA TRP 3 HA TRP 3 -4.456 -3.038 2.439
15 HD1 TRP 3 HD1 TRP 3 -5.051 -4.703 -2.141
16 HE1 TRP 3 HE1 TRP 3 -2.791 -5.765 -2.995
17 HE3 TRP 3 HE3 TRP 3 -2.653 -4.504 2.339
18 HZ2 TRP 3 HZ2 TRP 3 -0.311 -6.389 -1.730
19 HZ3 TRP 3 HZ3 TRP 3 -0.315 -5.361 2.444
20 HH2 TRP 3 HH2 TRP 3 0.856 -6.279 0.504
21 HB2 TRP 3 1HB TRP 3 -5.527 -4.706 1.389
22 HB3 TRP 3 2HB TRP 3 -6.039 -3.697 0.051
23 H LEU 4 H LEU 4 -2.884 -1.303 2.593
24 HA LEU 4 HA LEU 4 -1.755 -0.373 0.084
25 HG LEU 4 HG LEU 4 -2.665 0.427 3.583
26 HB2 LEU 4 1HB LEU 4 -0.496 0.504 2.569
27 HB3 LEU 4 2HB LEU 4 -1.090 1.431 1.205
28 HD11 LEU 4 1HD1 LEU 4 -1.211 2.729 3.267
29 HD12 LEU 4 2HD1 LEU 4 -2.843 3.248 2.782
30 HD13 LEU 4 3HD1 LEU 4 -2.581 2.515 4.383
31 HD21 LEU 4 3HD2 LEU 4 -4.380 0.160 2.162
32 HD22 LEU 4 1HD2 LEU 4 -4.451 1.940 2.190
33 HD23 LEU 4 2HD2 LEU 4 -3.598 1.103 0.871
34 HA PRO 5 HA PRO 5 1.205 -3.580 0.451
35 HB2 PRO 5 1HB PRO 5 2.263 -3.329 -2.057
36 HB3 PRO 5 2HB PRO 5 0.853 -4.309 -1.705
37 HG2 PRO 5 1HG PRO 5 0.990 -1.667 -3.023
38 HG3 PRO 5 2HG PRO 5 -0.315 -2.835 -3.041
39 HD2 PRO 5 1HD PRO 5 -0.198 -0.415 -1.505
40 HD3 PRO 5 2HD PRO 5 -1.449 -1.641 -1.437
41 HA PRO 6 HA PRO 6 4.619 -1.331 1.631
42 HB2 PRO 6 1HB PRO 6 6.298 -3.367 2.343
43 HB3 PRO 6 2HB PRO 6 5.055 -2.734 3.404
44 HG2 PRO 6 1HG PRO 6 5.079 -5.268 1.882
45 HG3 PRO 6 2HG PRO 6 4.076 -4.816 3.247
46 HD2 PRO 6 1HD PRO 6 3.287 -4.900 0.491
47 HD3 PRO 6 2HD PRO 6 2.322 -4.338 1.840
48 H ARG 7 H ARG 7 6.934 -0.898 1.176
49 HA ARG 7 HA ARG 7 7.236 -1.354 -1.639
50 HE ARG 7 HE ARG 7 7.892 3.963 -1.666
51 HB2 ARG 7 1HB ARG 7 7.875 0.762 0.101
52 HB3 ARG 7 2HB ARG 7 9.440 0.062 -0.261
53 HG2 ARG 7 1HG ARG 7 9.387 1.265 -2.190
54 HG3 ARG 7 2HG ARG 7 8.216 0.096 -2.768
55 HD2 ARG 7 1HD ARG 7 6.600 1.689 -2.807
56 HD3 ARG 7 2HD ARG 7 6.812 1.985 -1.094
57 HH11 ARG 7 2HH2 ARG 7 8.383 1.652 -4.307
58 HH12 ARG 7 1HH2 ARG 7 9.283 2.766 -5.280
59 HH21 ARG 7 2HH1 ARG 7 9.682 4.984 -4.463
Start of MODEL 6
1 HA ALA 1 HA ALA 1 -8.724 2.743 -1.968
2 H1 ALA 1 1H ALA 1 -7.350 4.687 -0.240
3 HB1 ALA 1 3HB ALA 1 -5.906 2.212 -1.714
4 HB2 ALA 1 1HB ALA 1 -6.837 2.609 -3.177
5 HB3 ALA 1 2HB ALA 1 -6.130 3.912 -2.192
6 H THR 2 H THR 2 -6.896 0.593 -1.269
7 HA THR 2 HA THR 2 -7.017 0.340 1.606
8 HB THR 2 HB THR 2 -8.680 -1.353 1.683
9 HG1 THR 2 HG1 THR 2 -9.219 -2.457 -0.366
10 HG21 THR 2 3HG2 THR 2 -10.605 -0.651 0.245
11 HG22 THR 2 1HG2 THR 2 -9.834 0.760 1.009
12 HG23 THR 2 2HG2 THR 2 -9.510 0.387 -0.700
13 H TRP 3 H TRP 3 -6.187 -1.931 2.256
14 HA TRP 3 HA TRP 3 -4.315 -3.146 2.301
15 HD1 TRP 3 HD1 TRP 3 -4.670 -4.699 -2.342
16 HE1 TRP 3 HE1 TRP 3 -2.336 -5.636 -3.141
17 HE3 TRP 3 HE3 TRP 3 -2.446 -4.528 2.228
18 HZ2 TRP 3 HZ2 TRP 3 0.123 -6.189 -1.802
19 HZ3 TRP 3 HZ3 TRP 3 -0.076 -5.285 2.395
20 HH2 TRP 3 HH2 TRP 3 1.202 -6.094 0.476
21 HB2 TRP 3 1HB TRP 3 -5.272 -4.826 1.167
22 HB3 TRP 3 2HB TRP 3 -5.780 -3.803 -0.162
23 H LEU 4 H LEU 4 -2.829 -1.350 2.561
24 HA LEU 4 HA LEU 4 -1.654 -0.298 0.124
25 HG LEU 4 HG LEU 4 -2.722 0.358 3.608
26 HB2 LEU 4 1HB LEU 4 -0.524 0.560 2.678
27 HB3 LEU 4 2HB LEU 4 -1.109 1.500 1.319
28 HD11 LEU 4 1HD1 LEU 4 -2.981 2.501 4.366
29 HD12 LEU 4 2HD1 LEU 4 -1.359 2.622 3.643
30 HD13 LEU 4 3HD1 LEU 4 -2.778 3.222 2.751
31 HD21 LEU 4 3HD2 LEU 4 -4.500 0.198 2.292
32 HD22 LEU 4 1HD2 LEU 4 -4.399 1.951 2.000
33 HD23 LEU 4 2HD2 LEU 4 -3.583 0.817 0.897
34 HA PRO 5 HA PRO 5 1.432 -3.382 0.511
35 HB2 PRO 5 1HB PRO 5 2.567 -3.011 -1.948
36 HB3 PRO 5 2HB PRO 5 1.190 -4.061 -1.676
37 HG2 PRO 5 1HG PRO 5 1.259 -1.378 -2.914
38 HG3 PRO 5 2HG PRO 5 0.007 -2.601 -3.013
39 HD2 PRO 5 1HD PRO 5 -0.040 -0.225 -1.407
40 HD3 PRO 5 2HD PRO 5 -1.236 -1.505 -1.419
41 HA PRO 6 HA PRO 6 4.699 -1.024 1.879
42 HB2 PRO 6 1HB PRO 6 6.441 -3.005 2.593
43 HB3 PRO 6 2HB PRO 6 5.133 -2.460 3.625
44 HG2 PRO 6 1HG PRO 6 5.325 -4.943 2.033
45 HG3 PRO 6 2HG PRO 6 4.256 -4.578 3.372
46 HD2 PRO 6 1HD PRO 6 3.569 -4.610 0.588
47 HD3 PRO 6 2HD PRO 6 2.532 -4.134 1.917
48 H ARG 7 H ARG 7 6.901 -0.335 1.447
49 HA ARG 7 HA ARG 7 7.344 -0.703 -1.337
50 HE ARG 7 HE ARG 7 5.708 0.605 -2.405
51 HB2 ARG 7 1HB ARG 7 7.877 1.327 0.530
52 HB3 ARG 7 2HB ARG 7 9.472 0.685 0.188
53 HG2 ARG 7 1HG ARG 7 9.224 2.320 -1.491
54 HG3 ARG 7 2HG ARG 7 8.775 0.851 -2.336
55 HD2 ARG 7 1HD ARG 7 6.533 2.241 -0.922
56 HD3 ARG 7 2HD ARG 7 7.221 3.118 -2.274
57 HH11 ARG 7 2HH2 ARG 7 7.961 2.737 -4.118
58 HH12 ARG 7 1HH2 ARG 7 7.550 2.119 -5.682
59 HH21 ARG 7 2HH1 ARG 7 5.904 0.386 -5.866
Start of MODEL 7
1 HA ALA 1 HA ALA 1 -9.092 2.660 -1.627
2 H1 ALA 1 1H ALA 1 -8.682 4.889 -1.134
3 HB1 ALA 1 3HB ALA 1 -6.194 2.212 -1.504
4 HB2 ALA 1 1HB ALA 1 -7.268 2.342 -2.917
5 HB3 ALA 1 2HB ALA 1 -6.612 3.812 -2.160
6 H THR 2 H THR 2 -7.095 0.521 -1.091
7 HA THR 2 HA THR 2 -7.168 0.148 1.773
8 HB THR 2 HB THR 2 -8.740 -1.630 1.799
9 HG1 THR 2 HG1 THR 2 -7.911 -2.833 0.018
10 HG21 THR 2 3HG2 THR 2 -10.007 0.448 1.230
11 HG22 THR 2 1HG2 THR 2 -9.690 0.163 -0.498
12 HG23 THR 2 2HG2 THR 2 -10.718 -0.966 0.416
13 H TRP 3 H TRP 3 -6.224 -2.112 2.317
14 HA TRP 3 HA TRP 3 -4.297 -3.236 2.295
15 HD1 TRP 3 HD1 TRP 3 -4.609 -4.586 -2.413
16 HE1 TRP 3 HE1 TRP 3 -2.238 -5.369 -3.267
17 HE3 TRP 3 HE3 TRP 3 -2.363 -4.520 2.148
18 HZ2 TRP 3 HZ2 TRP 3 0.254 -5.862 -1.968
19 HZ3 TRP 3 HZ3 TRP 3 0.042 -5.166 2.268
20 HH2 TRP 3 HH2 TRP 3 1.344 -5.821 0.305
21 HB2 TRP 3 1HB TRP 3 -5.178 -4.906 1.088
22 HB3 TRP 3 2HB TRP 3 -5.746 -3.847 -0.188
23 H LEU 4 H LEU 4 -2.897 -1.384 2.632
24 HA LEU 4 HA LEU 4 -1.792 -0.163 0.241
25 HG LEU 4 HG LEU 4 -2.866 0.278 3.757
26 HB2 LEU 4 1HB LEU 4 -0.688 0.631 2.827
27 HB3 LEU 4 2HB LEU 4 -1.328 1.603 1.517
28 HD11 LEU 4 1HD1 LEU 4 -2.410 2.236 4.730
29 HD12 LEU 4 2HD1 LEU 4 -1.884 2.982 3.203
30 HD13 LEU 4 3HD1 LEU 4 -3.614 2.921 3.613
31 HD21 LEU 4 3HD2 LEU 4 -4.574 0.018 2.350
32 HD22 LEU 4 1HD2 LEU 4 -4.696 1.794 2.340
33 HD23 LEU 4 2HD2 LEU 4 -3.773 0.959 1.068
34 HA PRO 5 HA PRO 5 1.442 -3.106 0.468
35 HB2 PRO 5 1HB PRO 5 2.540 -2.566 -1.976
36 HB3 PRO 5 2HB PRO 5 1.218 -3.694 -1.747
37 HG2 PRO 5 1HG PRO 5 1.146 -0.955 -2.859
38 HG3 PRO 5 2HG PRO 5 -0.045 -2.232 -3.008
39 HD2 PRO 5 1HD PRO 5 -0.195 0.061 -1.292
40 HD3 PRO 5 2HD PRO 5 -1.328 -1.275 -1.359
41 HA PRO 6 HA PRO 6 4.600 -0.657 1.929
42 HB2 PRO 6 1HB PRO 6 6.442 -2.581 2.540
43 HB3 PRO 6 2HB PRO 6 5.117 -2.150 3.604
44 HG2 PRO 6 1HG PRO 6 5.419 -4.544 1.895
45 HG3 PRO 6 2HG PRO 6 4.342 -4.294 3.255
46 HD2 PRO 6 1HD PRO 6 3.637 -4.231 0.475
47 HD3 PRO 6 2HD PRO 6 2.588 -3.868 1.831
48 H ARG 7 H ARG 7 6.220 0.587 1.141
49 HA ARG 7 HA ARG 7 7.933 -0.629 -0.773
50 HE ARG 7 HE ARG 7 9.510 -0.678 -2.035
51 HB2 ARG 7 1HB ARG 7 5.634 1.030 -1.619
52 HB3 ARG 7 2HB ARG 7 7.156 1.661 -2.216
53 HG2 ARG 7 1HG ARG 7 6.438 -1.287 -2.486
54 HG3 ARG 7 2HG ARG 7 5.932 -0.107 -3.679
55 HD2 ARG 7 1HD ARG 7 8.258 -1.422 -3.927
56 HD3 ARG 7 2HD ARG 7 8.092 0.235 -4.473
57 HH11 ARG 7 2HH2 ARG 7 8.363 2.055 -3.975
58 HH12 ARG 7 1HH2 ARG 7 9.420 3.199 -3.214
59 HH21 ARG 7 2HH1 ARG 7 10.904 2.455 -1.485
Start of MODEL 8
1 HA ALA 1 HA ALA 1 -9.880 2.094 -0.919
2 H1 ALA 1 1H ALA 1 -9.594 4.101 0.361
3 HB1 ALA 1 3HB ALA 1 -7.650 3.104 -2.249
4 HB2 ALA 1 1HB ALA 1 -7.017 1.667 -1.410
5 HB3 ALA 1 2HB ALA 1 -8.400 1.511 -2.520
6 H THR 2 H THR 2 -7.719 0.096 -0.468
7 HA THR 2 HA THR 2 -7.097 0.310 2.345
8 HB THR 2 HB THR 2 -8.539 -1.420 3.098
9 HG1 THR 2 HG1 THR 2 -9.580 -2.769 1.338
10 HG21 THR 2 3HG2 THR 2 -9.994 0.508 2.453
11 HG22 THR 2 1HG2 THR 2 -10.083 -0.122 0.790
12 HG23 THR 2 2HG2 THR 2 -10.815 -1.038 2.128
13 H TRP 3 H TRP 3 -5.949 -1.794 3.081
14 HA TRP 3 HA TRP 3 -4.036 -2.910 2.817
15 HD1 TRP 3 HD1 TRP 3 -5.437 -5.213 -1.298
16 HE1 TRP 3 HE1 TRP 3 -3.315 -6.126 -2.573
17 HE3 TRP 3 HE3 TRP 3 -2.107 -4.131 2.389
18 HZ2 TRP 3 HZ2 TRP 3 -0.544 -6.290 -1.911
19 HZ3 TRP 3 HZ3 TRP 3 0.288 -4.699 1.994
20 HH2 TRP 3 HH2 TRP 3 1.087 -5.742 -0.067
21 HB2 TRP 3 1HB TRP 3 -5.085 -4.791 2.207
22 HB3 TRP 3 2HB TRP 3 -6.010 -4.007 0.942
23 H LEU 4 H LEU 4 -2.676 -1.037 2.438
24 HA LEU 4 HA LEU 4 -2.240 -0.292 -0.329
25 HG LEU 4 HG LEU 4 -2.378 0.774 3.217
26 HB2 LEU 4 1HB LEU 4 -0.527 0.913 1.708
27 HB3 LEU 4 2HB LEU 4 -1.506 1.657 0.460
28 HD11 LEU 4 1HD1 LEU 4 -1.320 2.907 3.253
29 HD12 LEU 4 2HD1 LEU 4 -2.227 3.456 1.824
30 HD13 LEU 4 3HD1 LEU 4 -3.075 3.184 3.366
31 HD21 LEU 4 3HD2 LEU 4 -4.563 2.035 2.099
32 HD22 LEU 4 1HD2 LEU 4 -3.971 1.003 0.774
33 HD23 LEU 4 2HD2 LEU 4 -4.375 0.282 2.350
34 HA PRO 5 HA PRO 5 1.110 -3.038 -0.631
35 HB2 PRO 5 1HB PRO 5 1.940 -2.361 -3.144
36 HB3 PRO 5 2HB PRO 5 0.633 -3.486 -2.838
37 HG2 PRO 5 1HG PRO 5 0.485 -0.686 -3.769
38 HG3 PRO 5 2HG PRO 5 -0.736 -1.939 -3.861
39 HD2 PRO 5 1HD PRO 5 -0.658 0.248 -2.007
40 HD3 PRO 5 2HD PRO 5 -1.813 -1.069 -2.025
41 HA PRO 6 HA PRO 6 4.451 -0.714 0.613
42 HB2 PRO 6 1HB PRO 6 6.316 -2.691 0.901
43 HB3 PRO 6 2HB PRO 6 5.125 -2.311 2.129
44 HG2 PRO 6 1HG PRO 6 5.195 -4.600 0.257
45 HG3 PRO 6 2HG PRO 6 4.280 -4.423 1.742
46 HD2 PRO 6 1HD PRO 6 3.273 -4.183 -0.934
47 HD3 PRO 6 2HD PRO 6 2.386 -3.892 0.550
48 H ARG 7 H ARG 7 6.061 0.522 -0.236
49 HA ARG 7 HA ARG 7 7.375 1.283 -1.772
50 HE ARG 7 HE ARG 7 8.972 0.595 0.985
51 HB2 ARG 7 1HB ARG 7 8.014 -1.520 -1.644
52 HB3 ARG 7 2HB ARG 7 8.074 -1.066 -3.335
53 HG2 ARG 7 1HG ARG 7 10.201 -0.376 -2.824
54 HG3 ARG 7 2HG ARG 7 9.393 1.071 -2.252
55 HD2 ARG 7 1HD ARG 7 9.605 -1.227 -0.317
56 HD3 ARG 7 2HD ARG 7 11.083 -0.364 -0.689
57 HH11 ARG 7 2HH2 ARG 7 11.142 1.773 -1.557
58 HH12 ARG 7 1HH2 ARG 7 11.117 3.410 -0.991
59 HH21 ARG 7 2HH1 ARG 7 9.814 3.964 0.942
Start of MODEL 9
1 HA ALA 1 HA ALA 1 -10.206 1.788 -0.579
2 H1 ALA 1 1H ALA 1 -8.937 4.196 -0.345
3 HB1 ALA 1 3HB ALA 1 -8.189 3.102 -1.863
4 HB2 ALA 1 1HB ALA 1 -7.277 1.787 -1.084
5 HB3 ALA 1 2HB ALA 1 -8.628 1.406 -2.178
6 H THR 2 H THR 2 -7.893 -0.080 -0.387
7 HA THR 2 HA THR 2 -7.269 -0.185 2.431
8 HB THR 2 HB THR 2 -8.567 -2.105 2.948
9 HG1 THR 2 HG1 THR 2 -8.522 -3.588 1.308
10 HG21 THR 2 3HG2 THR 2 -10.224 -0.641 0.825
11 HG22 THR 2 1HG2 THR 2 -10.873 -1.779 2.030
12 HG23 THR 2 2HG2 THR 2 -10.172 -0.229 2.555
13 H TRP 3 H TRP 3 -5.960 -2.278 2.889
14 HA TRP 3 HA TRP 3 -3.983 -3.223 2.490
15 HD1 TRP 3 HD1 TRP 3 -5.137 -4.920 -1.968
16 HE1 TRP 3 HE1 TRP 3 -2.930 -5.519 -3.284
17 HE3 TRP 3 HE3 TRP 3 -1.993 -4.313 1.982
18 HZ2 TRP 3 HZ2 TRP 3 -0.178 -5.670 -2.542
19 HZ3 TRP 3 HZ3 TRP 3 0.440 -4.706 1.601
20 HH2 TRP 3 HH2 TRP 3 1.359 -5.361 -0.567
21 HB2 TRP 3 1HB TRP 3 -4.907 -5.052 1.584
22 HB3 TRP 3 2HB TRP 3 -5.849 -4.148 0.416
23 H LEU 4 H LEU 4 -2.761 -1.221 2.427
24 HA LEU 4 HA LEU 4 -2.337 -0.064 -0.202
25 HG LEU 4 HG LEU 4 -2.679 0.510 3.440
26 HB2 LEU 4 1HB LEU 4 -0.803 1.014 2.039
27 HB3 LEU 4 2HB LEU 4 -1.813 1.824 0.857
28 HD11 LEU 4 1HD1 LEU 4 -2.409 2.553 4.261
29 HD12 LEU 4 2HD1 LEU 4 -2.015 3.204 2.651
30 HD13 LEU 4 3HD1 LEU 4 -3.711 3.113 3.184
31 HD21 LEU 4 3HD2 LEU 4 -4.173 0.627 1.033
32 HD22 LEU 4 1HD2 LEU 4 -4.721 0.150 2.658
33 HD23 LEU 4 2HD2 LEU 4 -4.852 1.846 2.138
34 HA PRO 5 HA PRO 5 1.183 -2.646 -0.556
35 HB2 PRO 5 1HB PRO 5 1.665 -2.168 -3.204
36 HB3 PRO 5 2HB PRO 5 0.559 -3.405 -2.639
37 HG2 PRO 5 1HG PRO 5 -0.057 -0.771 -3.831
38 HG3 PRO 5 2HG PRO 5 -1.100 -2.168 -3.657
39 HD2 PRO 5 1HD PRO 5 -1.139 0.212 -2.057
40 HD3 PRO 5 2HD PRO 5 -2.101 -1.232 -1.813
41 HA PRO 6 HA PRO 6 4.021 0.511 0.171
42 HB2 PRO 6 1HB PRO 6 5.857 -0.971 1.549
43 HB3 PRO 6 2HB PRO 6 4.486 -0.192 2.314
44 HG2 PRO 6 1HG PRO 6 4.881 -3.056 1.694
45 HG3 PRO 6 2HG PRO 6 3.749 -2.321 2.811
46 HD2 PRO 6 1HD PRO 6 3.156 -3.371 0.208
47 HD3 PRO 6 2HD PRO 6 2.049 -2.532 1.277
48 H ARG 7 H ARG 7 5.721 1.376 -0.928
49 HA ARG 7 HA ARG 7 7.144 1.503 -2.551
50 HE ARG 7 HE ARG 7 10.179 -0.520 0.623
51 HB2 ARG 7 1HB ARG 7 8.103 -0.501 -0.838
52 HB3 ARG 7 2HB ARG 7 8.236 -1.251 -2.417
53 HG2 ARG 7 1HG ARG 7 10.135 -0.065 -2.767
54 HG3 ARG 7 2HG ARG 7 9.172 1.399 -2.797
55 HD2 ARG 7 1HD ARG 7 10.868 1.722 -1.104
56 HD3 ARG 7 2HD ARG 7 9.354 1.489 -0.253
57 HH11 ARG 7 2HH2 ARG 7 12.187 0.430 -2.136
58 HH12 ARG 7 1HH2 ARG 7 13.365 -0.810 -1.865
59 HH21 ARG 7 2HH1 ARG 7 13.078 -2.321 -0.026
Start of MODEL 10
1 HA ALA 1 HA ALA 1 -10.098 1.887 -0.762
2 H1 ALA 1 1H ALA 1 -9.726 4.251 -0.555
3 HB1 ALA 1 3HB ALA 1 -8.047 1.300 -1.936
4 HB2 ALA 1 1HB ALA 1 -8.414 3.017 -2.231
5 HB3 ALA 1 2HB ALA 1 -7.146 2.565 -1.066
6 H THR 2 H THR 2 -7.857 0.018 -0.480
7 HA THR 2 HA THR 2 -7.303 -0.111 2.352
8 HB THR 2 HB THR 2 -8.649 -2.007 2.830
9 HG1 THR 2 HG1 THR 2 -9.067 -2.175 -0.066
10 HG21 THR 2 3HG2 THR 2 -10.926 -1.637 1.855
11 HG22 THR 2 1HG2 THR 2 -10.211 -0.103 2.404
12 HG23 THR 2 2HG2 THR 2 -10.225 -0.508 0.671
13 H TRP 3 H TRP 3 -6.045 -2.230 2.832
14 HA TRP 3 HA TRP 3 -4.078 -3.210 2.476
15 HD1 TRP 3 HD1 TRP 3 -5.150 -4.860 -2.020
16 HE1 TRP 3 HE1 TRP 3 -2.922 -5.493 -3.284
17 HE3 TRP 3 HE3 TRP 3 -2.095 -4.335 2.011
18 HZ2 TRP 3 HZ2 TRP 3 -0.193 -5.699 -2.474
19 HZ3 TRP 3 HZ3 TRP 3 0.337 -4.770 1.689
20 HH2 TRP 3 HH2 TRP 3 1.300 -5.431 -0.458
21 HB2 TRP 3 1HB TRP 3 -5.012 -5.017 1.535
22 HB3 TRP 3 2HB TRP 3 -5.907 -4.087 0.350
23 H LEU 4 H LEU 4 -2.817 -1.231 2.457
24 HA LEU 4 HA LEU 4 -2.305 -0.067 -0.153
25 HG LEU 4 HG LEU 4 -2.728 0.491 3.483
26 HB2 LEU 4 1HB LEU 4 -0.809 0.967 2.133
27 HB3 LEU 4 2HB LEU 4 -1.773 1.803 0.931
28 HD11 LEU 4 1HD1 LEU 4 -1.847 2.655 3.900
29 HD12 LEU 4 2HD1 LEU 4 -2.671 3.344 2.480
30 HD13 LEU 4 3HD1 LEU 4 -3.620 2.815 3.891
31 HD21 LEU 4 3HD2 LEU 4 -4.212 1.056 0.997
32 HD22 LEU 4 1HD2 LEU 4 -4.588 -0.046 2.343
33 HD23 LEU 4 2HD2 LEU 4 -4.957 1.690 2.484
34 HA PRO 5 HA PRO 5 1.175 -2.714 -0.434
35 HB2 PRO 5 1HB PRO 5 1.733 -2.229 -3.066
36 HB3 PRO 5 2HB PRO 5 0.590 -3.448 -2.538
37 HG2 PRO 5 1HG PRO 5 0.054 -0.796 -3.727
38 HG3 PRO 5 2HG PRO 5 -1.020 -2.174 -3.589
39 HD2 PRO 5 1HD PRO 5 -1.055 0.197 -1.976
40 HD3 PRO 5 2HD PRO 5 -2.051 -1.230 -1.765
41 HA PRO 6 HA PRO 6 4.051 0.384 0.385
42 HB2 PRO 6 1HB PRO 6 5.824 -1.140 1.799
43 HB3 PRO 6 2HB PRO 6 4.449 -0.340 2.533
44 HG2 PRO 6 1HG PRO 6 4.807 -3.207 1.906
45 HG3 PRO 6 2HG PRO 6 3.659 -2.457 2.998
46 HD2 PRO 6 1HD PRO 6 3.114 -3.480 0.374
47 HD3 PRO 6 2HD PRO 6 1.996 -2.627 1.421
48 H ARG 7 H ARG 7 6.331 0.912 -0.085
49 HA ARG 7 HA ARG 7 7.963 0.970 -1.499
50 HE ARG 7 HE ARG 7 10.160 0.633 -3.559
51 HB2 ARG 7 1HB ARG 7 7.695 -1.867 -0.839
52 HB3 ARG 7 2HB ARG 7 8.304 -1.693 -2.473
53 HG2 ARG 7 1HG ARG 7 9.563 0.134 -0.481
54 HG3 ARG 7 2HG ARG 7 9.868 -1.570 -0.202
55 HD2 ARG 7 1HD ARG 7 11.616 -1.091 -1.673
56 HD3 ARG 7 2HD ARG 7 10.394 -1.598 -2.822
57 HH11 ARG 7 2HH2 ARG 7 12.148 0.537 -0.629
58 HH12 ARG 7 1HH2 ARG 7 12.659 2.186 -0.772
59 HH21 ARG 7 2HH1 ARG 7 11.874 3.503 -2.614
Start of MODEL 11
1 HA ALA 1 HA ALA 1 -9.438 2.406 -1.613
2 H1 ALA 1 1H ALA 1 -8.108 4.307 0.166
3 HB1 ALA 1 3HB ALA 1 -6.571 2.010 -1.660
4 HB2 ALA 1 1HB ALA 1 -7.691 2.274 -3.018
5 HB3 ALA 1 2HB ALA 1 -6.960 3.667 -2.183
6 H THR 2 H THR 2 -7.424 0.347 -1.104
7 HA THR 2 HA THR 2 -7.240 0.120 1.769
8 HB THR 2 HB THR 2 -8.794 -1.656 2.025
9 HG1 THR 2 HG1 THR 2 -8.844 -1.735 -0.905
10 HG21 THR 2 3HG2 THR 2 -10.120 0.387 1.464
11 HG22 THR 2 1HG2 THR 2 -9.953 0.014 -0.269
12 HG23 THR 2 2HG2 THR 2 -10.890 -1.069 0.789
13 H TRP 3 H TRP 3 -6.222 -2.090 2.348
14 HA TRP 3 HA TRP 3 -4.366 -3.297 2.198
15 HD1 TRP 3 HD1 TRP 3 -4.826 -4.506 -2.536
16 HE1 TRP 3 HE1 TRP 3 -2.487 -5.280 -3.482
17 HE3 TRP 3 HE3 TRP 3 -2.448 -4.590 1.956
18 HZ2 TRP 3 HZ2 TRP 3 0.038 -5.828 -2.272
19 HZ3 TRP 3 HZ3 TRP 3 -0.045 -5.256 1.987
20 HH2 TRP 3 HH2 TRP 3 1.194 -5.861 -0.031
21 HB2 TRP 3 1HB TRP 3 -5.296 -4.925 0.968
22 HB3 TRP 3 2HB TRP 3 -5.892 -3.826 -0.259
23 H LEU 4 H LEU 4 -2.944 -1.465 2.549
24 HA LEU 4 HA LEU 4 -1.900 -0.182 0.163
25 HG LEU 4 HG LEU 4 -2.867 0.162 3.721
26 HB2 LEU 4 1HB LEU 4 -0.715 0.527 2.737
27 HB3 LEU 4 2HB LEU 4 -1.384 1.542 1.475
28 HD11 LEU 4 1HD1 LEU 4 -3.390 2.984 3.324
29 HD12 LEU 4 2HD1 LEU 4 -2.809 2.121 4.767
30 HD13 LEU 4 3HD1 LEU 4 -1.650 2.673 3.534
31 HD21 LEU 4 3HD2 LEU 4 -4.778 1.658 2.487
32 HD22 LEU 4 1HD2 LEU 4 -3.858 1.049 1.089
33 HD23 LEU 4 2HD2 LEU 4 -4.554 -0.095 2.262
34 HA PRO 5 HA PRO 5 1.318 -3.152 0.206
35 HB2 PRO 5 1HB PRO 5 2.347 -2.547 -2.251
36 HB3 PRO 5 2HB PRO 5 1.024 -3.673 -2.018
37 HG2 PRO 5 1HG PRO 5 0.940 -0.902 -3.044
38 HG3 PRO 5 2HG PRO 5 -0.264 -2.166 -3.197
39 HD2 PRO 5 1HD PRO 5 -0.347 0.077 -1.410
40 HD3 PRO 5 2HD PRO 5 -1.491 -1.249 -1.482
41 HA PRO 6 HA PRO 6 4.293 -0.440 1.734
42 HB2 PRO 6 1HB PRO 6 5.658 -2.238 3.274
43 HB3 PRO 6 2HB PRO 6 4.261 -1.350 3.848
44 HG2 PRO 6 1HG PRO 6 4.451 -4.188 3.039
45 HG3 PRO 6 2HG PRO 6 3.213 -3.400 3.997
46 HD2 PRO 6 1HD PRO 6 3.017 -4.174 1.243
47 HD3 PRO 6 2HD PRO 6 1.825 -3.283 2.169
48 H ARG 7 H ARG 7 6.353 0.224 1.191
49 HA ARG 7 HA ARG 7 7.374 -1.355 -0.969
50 HE ARG 7 HE ARG 7 11.181 1.248 -2.482
51 HB2 ARG 7 1HB ARG 7 7.330 1.411 -0.317
52 HB3 ARG 7 2HB ARG 7 9.020 0.958 -0.218
53 HG2 ARG 7 1HG ARG 7 7.291 0.174 -2.600
54 HG3 ARG 7 2HG ARG 7 8.121 1.715 -2.534
55 HD2 ARG 7 1HD ARG 7 9.868 -0.584 -1.847
56 HD3 ARG 7 2HD ARG 7 9.222 -0.667 -3.474
57 HH11 ARG 7 2HH2 ARG 7 8.625 0.786 -4.892
58 HH12 ARG 7 1HH2 ARG 7 9.271 1.966 -5.984
59 HH21 ARG 7 2HH1 ARG 7 11.274 3.140 -5.393
Start of MODEL 12
1 HA ALA 1 HA ALA 1 -8.847 2.499 -1.948
2 H1 ALA 1 1H ALA 1 -8.322 4.818 -1.481
3 HB1 ALA 1 3HB ALA 1 -6.341 3.801 -2.251
4 HB2 ALA 1 1HB ALA 1 -5.984 2.123 -1.777
5 HB3 ALA 1 2HB ALA 1 -6.990 2.448 -3.209
6 H THR 2 H THR 2 -6.865 0.434 -1.365
7 HA THR 2 HA THR 2 -6.912 0.083 1.502
8 HB THR 2 HB THR 2 -8.465 -1.711 1.555
9 HG1 THR 2 HG1 THR 2 -7.920 -1.661 -1.325
10 HG21 THR 2 3HG2 THR 2 -10.459 -1.083 0.179
11 HG22 THR 2 1HG2 THR 2 -9.760 0.347 0.975
12 HG23 THR 2 2HG2 THR 2 -9.450 0.050 -0.753
13 H TRP 3 H TRP 3 -5.934 -2.156 2.060
14 HA TRP 3 HA TRP 3 -4.049 -3.332 2.017
15 HD1 TRP 3 HD1 TRP 3 -4.152 -4.389 -2.775
16 HE1 TRP 3 HE1 TRP 3 -1.744 -5.115 -3.573
17 HE3 TRP 3 HE3 TRP 3 -2.106 -4.601 1.874
18 HZ2 TRP 3 HZ2 TRP 3 0.693 -5.685 -2.199
19 HZ3 TRP 3 HZ3 TRP 3 0.294 -5.252 2.058
20 HH2 TRP 3 HH2 TRP 3 1.682 -5.782 0.118
21 HB2 TRP 3 1HB TRP 3 -4.872 -4.925 0.671
22 HB3 TRP 3 2HB TRP 3 -5.388 -3.791 -0.561
23 H LEU 4 H LEU 4 -2.673 -1.502 2.527
24 HA LEU 4 HA LEU 4 -1.471 -0.134 0.265
25 HG LEU 4 HG LEU 4 -2.697 0.088 3.753
26 HB2 LEU 4 1HB LEU 4 -0.482 0.500 2.940
27 HB3 LEU 4 2HB LEU 4 -1.068 1.550 1.666
28 HD11 LEU 4 1HD1 LEU 4 -1.710 2.827 3.399
29 HD12 LEU 4 2HD1 LEU 4 -3.453 2.728 3.748
30 HD13 LEU 4 3HD1 LEU 4 -2.280 1.984 4.859
31 HD21 LEU 4 3HD2 LEU 4 -3.496 0.616 1.095
32 HD22 LEU 4 1HD2 LEU 4 -4.501 0.088 2.465
33 HD23 LEU 4 2HD2 LEU 4 -4.304 1.824 2.123
34 HA PRO 5 HA PRO 5 1.763 -3.082 0.450
35 HB2 PRO 5 1HB PRO 5 2.963 -2.391 -1.906
36 HB3 PRO 5 2HB PRO 5 1.637 -3.533 -1.804
37 HG2 PRO 5 1HG PRO 5 1.601 -0.731 -2.747
38 HG3 PRO 5 2HG PRO 5 0.424 -1.997 -3.026
39 HD2 PRO 5 1HD PRO 5 0.190 0.186 -1.181
40 HD3 PRO 5 2HD PRO 5 -0.933 -1.145 -1.378
41 HA PRO 6 HA PRO 6 4.594 -0.399 2.275
42 HB2 PRO 6 1HB PRO 6 5.860 -2.235 3.853
43 HB3 PRO 6 2HB PRO 6 4.416 -1.378 4.352
44 HG2 PRO 6 1HG PRO 6 4.692 -4.185 3.469
45 HG3 PRO 6 2HG PRO 6 3.380 -3.438 4.360
46 HD2 PRO 6 1HD PRO 6 3.392 -4.124 1.575
47 HD3 PRO 6 2HD PRO 6 2.128 -3.272 2.439
48 H ARG 7 H ARG 7 6.175 0.458 1.096
49 HA ARG 7 HA ARG 7 7.646 -1.359 -0.520
50 HE ARG 7 HE ARG 7 4.998 1.567 -3.138
51 HB2 ARG 7 1HB ARG 7 7.079 1.478 -0.478
52 HB3 ARG 7 2HB ARG 7 8.819 1.283 -0.519
53 HG2 ARG 7 1HG ARG 7 8.108 1.313 -2.814
54 HG3 ARG 7 2HG ARG 7 8.504 -0.357 -2.458
55 HD2 ARG 7 1HD ARG 7 6.418 -0.932 -3.148
56 HD3 ARG 7 2HD ARG 7 5.778 -0.118 -1.735
57 HH11 ARG 7 2HH2 ARG 7 7.724 -0.025 -4.746
58 HH12 ARG 7 1HH2 ARG 7 7.574 0.908 -6.198
59 HH21 ARG 7 2HH1 ARG 7 5.848 2.563 -6.356
Start of MODEL 13
1 HA ALA 1 HA ALA 1 -8.659 2.858 -1.628
2 H1 ALA 1 1H ALA 1 -6.798 4.161 -1.827
3 HB1 ALA 1 3HB ALA 1 -7.119 2.558 -3.917
4 HB2 ALA 1 1HB ALA 1 -7.482 0.877 -3.459
5 HB3 ALA 1 2HB ALA 1 -8.808 2.032 -3.727
6 H THR 2 H THR 2 -7.187 2.300 0.657
7 HA THR 2 HA THR 2 -6.877 0.768 2.239
8 HB THR 2 HB THR 2 -8.670 -0.741 2.493
9 HG1 THR 2 HG1 THR 2 -9.546 -1.704 0.401
10 HG21 THR 2 3HG2 THR 2 -9.889 0.618 0.080
11 HG22 THR 2 1HG2 THR 2 -10.624 0.277 1.665
12 HG23 THR 2 2HG2 THR 2 -9.468 1.620 1.490
13 H TRP 3 H TRP 3 -6.177 -1.601 2.711
14 HA TRP 3 HA TRP 3 -4.468 -3.008 2.491
15 HD1 TRP 3 HD1 TRP 3 -5.256 -4.074 -2.236
16 HE1 TRP 3 HE1 TRP 3 -3.074 -5.127 -3.280
17 HE3 TRP 3 HE3 TRP 3 -2.742 -4.532 2.160
18 HZ2 TRP 3 HZ2 TRP 3 -0.597 -6.014 -2.175
19 HZ3 TRP 3 HZ3 TRP 3 -0.447 -5.500 2.089
20 HH2 TRP 3 HH2 TRP 3 0.629 -6.229 0.018
21 HB2 TRP 3 1HB TRP 3 -5.645 -4.484 1.282
22 HB3 TRP 3 2HB TRP 3 -6.140 -3.298 0.090
23 H LEU 4 H LEU 4 -2.810 -1.378 2.804
24 HA LEU 4 HA LEU 4 -1.699 -0.203 0.392
25 HG LEU 4 HG LEU 4 -2.480 0.207 3.988
26 HB2 LEU 4 1HB LEU 4 -0.337 0.308 2.926
27 HB3 LEU 4 2HB LEU 4 -0.917 1.420 1.701
28 HD11 LEU 4 1HD1 LEU 4 -2.767 2.486 4.723
29 HD12 LEU 4 2HD1 LEU 4 -1.034 2.159 4.482
30 HD13 LEU 4 3HD1 LEU 4 -1.938 3.101 3.273
31 HD21 LEU 4 3HD2 LEU 4 -4.003 2.139 2.493
32 HD22 LEU 4 1HD2 LEU 4 -3.502 0.802 1.431
33 HD23 LEU 4 2HD2 LEU 4 -4.409 0.460 2.924
34 HA PRO 5 HA PRO 5 1.108 -3.563 0.280
35 HB2 PRO 5 1HB PRO 5 2.114 -3.057 -2.210
36 HB3 PRO 5 2HB PRO 5 0.668 -4.007 -1.936
37 HG2 PRO 5 1HG PRO 5 0.903 -1.233 -2.930
38 HG3 PRO 5 2HG PRO 5 -0.459 -2.329 -3.048
39 HD2 PRO 5 1HD PRO 5 -0.185 -0.122 -1.237
40 HD3 PRO 5 2HD PRO 5 -1.492 -1.288 -1.278
41 HA PRO 6 HA PRO 6 4.657 -1.635 1.618
42 HB2 PRO 6 1HB PRO 6 6.251 -3.816 2.025
43 HB3 PRO 6 2HB PRO 6 5.068 -3.263 3.193
44 HG2 PRO 6 1HG PRO 6 4.930 -5.590 1.374
45 HG3 PRO 6 2HG PRO 6 3.985 -5.264 2.813
46 HD2 PRO 6 1HD PRO 6 3.124 -4.972 0.094
47 HD3 PRO 6 2HD PRO 6 2.221 -4.537 1.531
48 H ARG 7 H ARG 7 6.625 -0.788 0.935
49 HA ARG 7 HA ARG 7 6.982 -1.270 -1.849
50 HE ARG 7 HE ARG 7 10.684 1.478 -2.533
51 HB2 ARG 7 1HB ARG 7 7.584 0.840 0.034
52 HB3 ARG 7 2HB ARG 7 9.086 0.383 -0.746
53 HG2 ARG 7 1HG ARG 7 6.661 0.714 -2.504
54 HG3 ARG 7 2HG ARG 7 7.379 2.170 -1.841
55 HD2 ARG 7 1HD ARG 7 9.014 0.049 -3.308
56 HD3 ARG 7 2HD ARG 7 8.284 1.415 -4.128
57 HH11 ARG 7 2HH2 ARG 7 7.823 3.430 -3.280
58 HH12 ARG 7 1HH2 ARG 7 8.609 4.936 -2.943
59 HH21 ARG 7 2HH1 ARG 7 10.901 4.933 -2.245
Start of MODEL 14
1 HA ALA 1 HA ALA 1 -9.501 2.251 -1.120
2 H1 ALA 1 1H ALA 1 -6.610 2.385 -1.340
3 HB1 ALA 1 3HB ALA 1 -8.800 2.076 -3.588
4 HB2 ALA 1 1HB ALA 1 -8.043 0.527 -3.146
5 HB3 ALA 1 2HB ALA 1 -9.797 0.750 -2.940
6 H THR 2 H THR 2 -7.654 2.009 0.936
7 HA THR 2 HA THR 2 -6.964 0.645 2.552
8 HB THR 2 HB THR 2 -8.549 -0.977 3.194
9 HG1 THR 2 HG1 THR 2 -8.359 -2.556 1.605
10 HG21 THR 2 3HG2 THR 2 -10.736 -0.293 2.494
11 HG22 THR 2 1HG2 THR 2 -9.755 1.183 2.319
12 HG23 THR 2 2HG2 THR 2 -10.152 0.204 0.887
13 H TRP 3 H TRP 3 -5.982 -1.610 3.071
14 HA TRP 3 HA TRP 3 -4.235 -2.923 2.682
15 HD1 TRP 3 HD1 TRP 3 -5.515 -4.280 -1.857
16 HE1 TRP 3 HE1 TRP 3 -3.402 -5.217 -3.128
17 HE3 TRP 3 HE3 TRP 3 -2.445 -4.326 2.196
18 HZ2 TRP 3 HZ2 TRP 3 -0.742 -5.858 -2.315
19 HZ3 TRP 3 HZ3 TRP 3 -0.105 -5.122 1.871
20 HH2 TRP 3 HH2 TRP 3 0.759 -5.871 -0.289
21 HB2 TRP 3 1HB TRP 3 -5.429 -4.541 1.694
22 HB3 TRP 3 2HB TRP 3 -6.163 -3.457 0.529
23 H LEU 4 H LEU 4 -2.686 -1.159 2.715
24 HA LEU 4 HA LEU 4 -1.984 -0.026 0.136
25 HG LEU 4 HG LEU 4 -2.342 0.504 3.783
26 HB2 LEU 4 1HB LEU 4 -0.363 0.712 2.452
27 HB3 LEU 4 2HB LEU 4 -1.179 1.715 1.268
28 HD11 LEU 4 1HD1 LEU 4 -2.400 2.615 4.658
29 HD12 LEU 4 2HD1 LEU 4 -0.950 2.746 3.633
30 HD13 LEU 4 3HD1 LEU 4 -2.505 3.400 3.063
31 HD21 LEU 4 3HD2 LEU 4 -3.704 1.342 1.306
32 HD22 LEU 4 1HD2 LEU 4 -4.256 0.289 2.630
33 HD23 LEU 4 2HD2 LEU 4 -4.352 2.058 2.802
34 HA PRO 5 HA PRO 5 1.051 -3.166 -0.199
35 HB2 PRO 5 1HB PRO 5 1.696 -2.712 -2.816
36 HB3 PRO 5 2HB PRO 5 0.375 -3.754 -2.320
37 HG2 PRO 5 1HG PRO 5 0.260 -1.023 -3.448
38 HG3 PRO 5 2HG PRO 5 -1.013 -2.224 -3.347
39 HD2 PRO 5 1HD PRO 5 -0.696 0.086 -1.676
40 HD3 PRO 5 2HD PRO 5 -1.899 -1.176 -1.502
41 HA PRO 6 HA PRO 6 4.571 -0.911 0.594
42 HB2 PRO 6 1HB PRO 6 6.375 -2.944 0.882
43 HB3 PRO 6 2HB PRO 6 5.305 -2.423 2.167
44 HG2 PRO 6 1HG PRO 6 5.132 -4.842 0.477
45 HG3 PRO 6 2HG PRO 6 4.350 -4.517 2.012
46 HD2 PRO 6 1HD PRO 6 3.136 -4.427 -0.585
47 HD3 PRO 6 2HD PRO 6 2.387 -3.990 0.938
48 H ARG 7 H ARG 7 5.710 0.366 -0.710
49 HA ARG 7 HA ARG 7 6.509 1.006 -2.644
50 HE ARG 7 HE ARG 7 9.460 0.375 0.535
51 HB2 ARG 7 1HB ARG 7 8.239 -0.975 -1.437
52 HB3 ARG 7 2HB ARG 7 8.384 -1.128 -3.176
53 HG2 ARG 7 1HG ARG 7 10.017 0.507 -2.570
54 HG3 ARG 7 2HG ARG 7 8.695 1.429 -3.258
55 HD2 ARG 7 1HD ARG 7 9.070 2.650 -1.302
56 HD3 ARG 7 2HD ARG 7 7.837 1.541 -0.737
57 HH11 ARG 7 2HH2 ARG 7 11.023 2.786 -1.538
58 HH12 ARG 7 1HH2 ARG 7 12.555 2.662 -0.739
59 HH21 ARG 7 2HH1 ARG 7 12.802 1.140 1.097
Start of MODEL 15
1 HA ALA 1 HA ALA 1 -8.519 2.588 -1.865
2 H1 ALA 1 1H ALA 1 -6.561 3.609 -1.203
3 HB1 ALA 1 3HB ALA 1 -8.582 1.980 -4.029
4 HB2 ALA 1 1HB ALA 1 -6.806 1.890 -4.106
5 HB3 ALA 1 2HB ALA 1 -7.747 0.476 -3.574
6 H THR 2 H THR 2 -6.953 2.217 0.392
7 HA THR 2 HA THR 2 -6.536 0.796 2.052
8 HB THR 2 HB THR 2 -8.270 -0.746 2.466
9 HG1 THR 2 HG1 THR 2 -9.205 -1.822 0.425
10 HG21 THR 2 3HG2 THR 2 -10.309 0.088 1.556
11 HG22 THR 2 1HG2 THR 2 -9.227 1.498 1.455
12 HG23 THR 2 2HG2 THR 2 -9.544 0.514 0.006
13 H TRP 3 H TRP 3 -5.746 -1.517 2.641
14 HA TRP 3 HA TRP 3 -4.037 -2.920 2.439
15 HD1 TRP 3 HD1 TRP 3 -4.808 -4.126 -2.255
16 HE1 TRP 3 HE1 TRP 3 -2.603 -5.158 -3.275
17 HE3 TRP 3 HE3 TRP 3 -2.278 -4.412 2.147
18 HZ2 TRP 3 HZ2 TRP 3 -0.106 -5.960 -2.152
19 HZ3 TRP 3 HZ3 TRP 3 0.038 -5.331 2.097
20 HH2 TRP 3 HH2 TRP 3 1.127 -6.091 0.044
21 HB2 TRP 3 1HB TRP 3 -5.183 -4.453 1.272
22 HB3 TRP 3 2HB TRP 3 -5.706 -3.310 0.051
23 H LEU 4 H LEU 4 -2.415 -1.246 2.707
24 HA LEU 4 HA LEU 4 -1.335 -0.109 0.263
25 HG LEU 4 HG LEU 4 -2.120 0.378 3.848
26 HB2 LEU 4 1HB LEU 4 0.019 0.499 2.779
27 HB3 LEU 4 2HB LEU 4 -0.588 1.565 1.528
28 HD11 LEU 4 1HD1 LEU 4 -0.745 2.858 3.403
29 HD12 LEU 4 2HD1 LEU 4 -2.485 3.171 3.606
30 HD13 LEU 4 3HD1 LEU 4 -1.589 2.278 4.858
31 HD21 LEU 4 3HD2 LEU 4 -3.155 0.898 1.274
32 HD22 LEU 4 1HD2 LEU 4 -4.050 0.546 2.771
33 HD23 LEU 4 2HD2 LEU 4 -3.696 2.231 2.321
34 HA PRO 5 HA PRO 5 1.548 -3.407 0.234
35 HB2 PRO 5 1HB PRO 5 2.539 -2.946 -2.271
36 HB3 PRO 5 2HB PRO 5 1.114 -3.920 -1.968
37 HG2 PRO 5 1HG PRO 5 1.285 -1.169 -3.037
38 HG3 PRO 5 2HG PRO 5 -0.052 -2.299 -3.123
39 HD2 PRO 5 1HD PRO 5 0.175 -0.038 -1.371
40 HD3 PRO 5 2HD PRO 5 -1.106 -1.235 -1.378
41 HA PRO 6 HA PRO 6 5.054 -1.363 1.512
42 HB2 PRO 6 1HB PRO 6 6.699 -3.497 1.973
43 HB3 PRO 6 2HB PRO 6 5.505 -2.939 3.128
44 HG2 PRO 6 1HG PRO 6 5.416 -5.317 1.374
45 HG3 PRO 6 2HG PRO 6 4.467 -4.974 2.806
46 HD2 PRO 6 1HD PRO 6 3.595 -4.774 0.081
47 HD3 PRO 6 2HD PRO 6 2.685 -4.321 1.509
48 H ARG 7 H ARG 7 7.071 -0.560 0.847
49 HA ARG 7 HA ARG 7 7.366 -0.893 -1.936
50 HE ARG 7 HE ARG 7 5.178 0.588 -0.816
51 HB2 ARG 7 1HB ARG 7 8.522 0.806 0.214
52 HB3 ARG 7 2HB ARG 7 9.657 0.444 -1.071
53 HG2 ARG 7 1HG ARG 7 8.620 2.363 -1.924
54 HG3 ARG 7 2HG ARG 7 7.662 1.105 -2.680
55 HD2 ARG 7 1HD ARG 7 6.781 2.095 0.032
56 HD3 ARG 7 2HD ARG 7 6.518 3.149 -1.343
57 HH11 ARG 7 2HH2 ARG 7 5.957 3.012 -3.280
58 HH12 ARG 7 1HH2 ARG 7 4.654 2.549 -4.324
59 HH21 ARG 7 2HH1 ARG 7 3.198 0.763 -3.664
Start of MODEL 16
1 HA ALA 1 HA ALA 1 -9.988 1.502 -1.033
2 H1 ALA 1 1H ALA 1 -7.408 2.360 -1.996
3 HB1 ALA 1 3HB ALA 1 -10.162 0.498 -3.069
4 HB2 ALA 1 1HB ALA 1 -8.797 1.560 -3.490
5 HB3 ALA 1 2HB ALA 1 -8.497 -0.128 -3.017
6 H THR 2 H THR 2 -8.186 1.364 1.069
7 HA THR 2 HA THR 2 -7.345 -0.010 2.602
8 HB THR 2 HB THR 2 -8.688 -1.894 3.055
9 HG1 THR 2 HG1 THR 2 -8.150 -3.258 1.329
10 HG21 THR 2 3HG2 THR 2 -10.886 -1.324 2.530
11 HG22 THR 2 1HG2 THR 2 -10.108 0.205 2.055
12 HG23 THR 2 2HG2 THR 2 -10.500 -1.015 0.820
13 H TRP 3 H TRP 3 -6.052 -2.132 2.987
14 HA TRP 3 HA TRP 3 -4.104 -3.115 2.572
15 HD1 TRP 3 HD1 TRP 3 -5.089 -4.372 -2.069
16 HE1 TRP 3 HE1 TRP 3 -2.835 -4.892 -3.341
17 HE3 TRP 3 HE3 TRP 3 -2.111 -4.194 2.049
18 HZ2 TRP 3 HZ2 TRP 3 -0.122 -5.165 -2.501
19 HZ3 TRP 3 HZ3 TRP 3 0.329 -4.598 1.737
20 HH2 TRP 3 HH2 TRP 3 1.332 -5.071 -0.442
21 HB2 TRP 3 1HB TRP 3 -5.017 -4.834 1.462
22 HB3 TRP 3 2HB TRP 3 -5.893 -3.807 0.344
23 H LEU 4 H LEU 4 -2.849 -1.140 2.746
24 HA LEU 4 HA LEU 4 -2.291 0.245 0.256
25 HG LEU 4 HG LEU 4 -2.784 0.488 3.917
26 HB2 LEU 4 1HB LEU 4 -0.840 1.080 2.649
27 HB3 LEU 4 2HB LEU 4 -1.784 2.015 1.507
28 HD11 LEU 4 1HD1 LEU 4 -3.780 3.087 3.932
29 HD12 LEU 4 2HD1 LEU 4 -2.438 2.448 4.911
30 HD13 LEU 4 3HD1 LEU 4 -2.103 3.259 3.363
31 HD21 LEU 4 3HD2 LEU 4 -4.872 1.986 2.646
32 HD22 LEU 4 1HD2 LEU 4 -4.168 0.846 1.474
33 HD23 LEU 4 2HD2 LEU 4 -4.798 0.248 3.026
34 HA PRO 5 HA PRO 5 1.199 -2.364 -0.186
35 HB2 PRO 5 1HB PRO 5 1.806 -1.657 -2.756
36 HB3 PRO 5 2HB PRO 5 0.655 -2.916 -2.355
37 HG2 PRO 5 1HG PRO 5 0.135 -0.172 -3.323
38 HG3 PRO 5 2HG PRO 5 -0.937 -1.558 -3.324
39 HD2 PRO 5 1HD PRO 5 -1.009 0.665 -1.514
40 HD3 PRO 5 2HD PRO 5 -2.004 -0.776 -1.444
41 HA PRO 6 HA PRO 6 4.313 0.353 0.824
42 HB2 PRO 6 1HB PRO 6 6.406 -1.391 1.038
43 HB3 PRO 6 2HB PRO 6 5.248 -1.122 2.326
44 HG2 PRO 6 1HG PRO 6 5.478 -3.430 0.494
45 HG3 PRO 6 2HG PRO 6 4.631 -3.323 2.025
46 HD2 PRO 6 1HD PRO 6 3.459 -3.264 -0.593
47 HD3 PRO 6 2HD PRO 6 2.627 -3.040 0.934
48 H ARG 7 H ARG 7 6.281 1.395 0.089
49 HA ARG 7 HA ARG 7 7.485 2.223 -1.502
50 HE ARG 7 HE ARG 7 9.630 -2.249 -0.643
51 HB2 ARG 7 1HB ARG 7 7.560 -0.682 -2.022
52 HB3 ARG 7 2HB ARG 7 7.844 0.243 -3.482
53 HG2 ARG 7 1HG ARG 7 10.015 0.215 -2.692
54 HG3 ARG 7 2HG ARG 7 9.465 1.646 -1.844
55 HD2 ARG 7 1HD ARG 7 10.290 0.503 -0.012
56 HD3 ARG 7 2HD ARG 7 8.687 -0.205 -0.021
57 HH11 ARG 7 2HH2 ARG 7 11.935 0.330 -1.413
58 HH12 ARG 7 1HH2 ARG 7 13.195 -0.764 -1.875
59 HH21 ARG 7 2HH1 ARG 7 12.796 -3.126 -1.773
Start of MODEL 17
1 HA ALA 1 HA ALA 1 -9.823 1.655 -1.527
2 H1 ALA 1 1H ALA 1 -7.781 2.740 -0.759
3 HB1 ALA 1 3HB ALA 1 -9.898 0.485 -3.505
4 HB2 ALA 1 1HB ALA 1 -8.601 1.630 -3.920
5 HB3 ALA 1 2HB ALA 1 -8.195 -0.022 -3.397
6 H THR 2 H THR 2 -8.156 1.517 0.681
7 HA THR 2 HA THR 2 -7.459 0.163 2.302
8 HB THR 2 HB THR 2 -8.895 -1.658 2.727
9 HG1 THR 2 HG1 THR 2 -9.138 -3.194 1.108
10 HG21 THR 2 3HG2 THR 2 -10.257 0.397 1.814
11 HG22 THR 2 1HG2 THR 2 -10.417 -0.564 0.326
12 HG23 THR 2 2HG2 THR 2 -11.074 -1.183 1.860
13 H TRP 3 H TRP 3 -6.272 -1.993 2.824
14 HA TRP 3 HA TRP 3 -4.354 -3.077 2.553
15 HD1 TRP 3 HD1 TRP 3 -5.059 -4.353 -2.134
16 HE1 TRP 3 HE1 TRP 3 -2.746 -4.984 -3.235
17 HE3 TRP 3 HE3 TRP 3 -2.377 -4.244 2.185
18 HZ2 TRP 3 HZ2 TRP 3 -0.113 -5.358 -2.200
19 HZ3 TRP 3 HZ3 TRP 3 0.059 -4.754 2.052
20 HH2 TRP 3 HH2 TRP 3 1.194 -5.297 -0.045
21 HB2 TRP 3 1HB TRP 3 -5.259 -4.771 1.398
22 HB3 TRP 3 2HB TRP 3 -6.008 -3.723 0.210
23 H LEU 4 H LEU 4 -3.032 -1.154 2.796
24 HA LEU 4 HA LEU 4 -2.240 0.174 0.337
25 HG LEU 4 HG LEU 4 -2.981 0.486 3.952
26 HB2 LEU 4 1HB LEU 4 -0.930 0.980 2.820
27 HB3 LEU 4 2HB LEU 4 -1.749 1.938 1.603
28 HD11 LEU 4 1HD1 LEU 4 -2.248 2.505 4.770
29 HD12 LEU 4 2HD1 LEU 4 -2.493 3.352 3.225
30 HD13 LEU 4 3HD1 LEU 4 -3.893 2.928 4.240
31 HD21 LEU 4 3HD2 LEU 4 -4.172 0.839 1.419
32 HD22 LEU 4 1HD2 LEU 4 -4.948 0.340 2.941
33 HD23 LEU 4 2HD2 LEU 4 -4.895 2.061 2.493
34 HA PRO 5 HA PRO 5 1.158 -2.584 0.172
35 HB2 PRO 5 1HB PRO 5 1.974 -1.936 -2.354
36 HB3 PRO 5 2HB PRO 5 0.746 -3.142 -2.023
37 HG2 PRO 5 1HG PRO 5 0.413 -0.392 -3.055
38 HG3 PRO 5 2HG PRO 5 -0.714 -1.732 -3.119
39 HD2 PRO 5 1HD PRO 5 -0.819 0.517 -1.340
40 HD3 PRO 5 2HD PRO 5 -1.878 -0.880 -1.327
41 HA PRO 6 HA PRO 6 4.306 0.015 1.374
42 HB2 PRO 6 1HB PRO 6 6.303 -1.812 1.753
43 HB3 PRO 6 2HB PRO 6 5.069 -1.477 2.953
44 HG2 PRO 6 1HG PRO 6 5.330 -3.817 1.165
45 HG3 PRO 6 2HG PRO 6 4.383 -3.655 2.631
46 HD2 PRO 6 1HD PRO 6 3.402 -3.581 -0.064
47 HD3 PRO 6 2HD PRO 6 2.475 -3.303 1.397
48 H ARG 7 H ARG 7 6.276 1.043 0.731
49 HA ARG 7 HA ARG 7 7.531 1.870 -0.825
50 HE ARG 7 HE ARG 7 9.829 0.333 -4.188
51 HB2 ARG 7 1HB ARG 7 7.970 -1.002 -0.892
52 HB3 ARG 7 2HB ARG 7 8.157 -0.373 -2.517
53 HG2 ARG 7 1HG ARG 7 9.474 1.105 -0.231
54 HG3 ARG 7 2HG ARG 7 10.210 -0.377 -0.808
55 HD2 ARG 7 1HD ARG 7 9.504 2.008 -2.588
56 HD3 ARG 7 2HD ARG 7 11.105 1.684 -1.954
57 HH11 ARG 7 2HH2 ARG 7 12.174 -0.133 -1.573
58 HH12 ARG 7 1HH2 ARG 7 13.026 -1.397 -2.395
59 HH21 ARG 7 2HH1 ARG 7 12.292 -2.087 -4.570
Start of MODEL 18
1 HA ALA 1 HA ALA 1 -8.546 2.865 -1.642
2 H1 ALA 1 1H ALA 1 -6.495 3.893 -2.493
3 HB1 ALA 1 3HB ALA 1 -7.464 2.538 -4.045
4 HB2 ALA 1 1HB ALA 1 -7.289 0.855 -3.493
5 HB3 ALA 1 2HB ALA 1 -8.901 1.608 -3.557
6 H THR 2 H THR 2 -6.922 2.421 0.559
7 HA THR 2 HA THR 2 -6.525 0.991 2.215
8 HB THR 2 HB THR 2 -8.325 -0.452 2.704
9 HG1 THR 2 HG1 THR 2 -9.395 -1.475 0.696
10 HG21 THR 2 3HG2 THR 2 -9.586 0.896 0.279
11 HG22 THR 2 1HG2 THR 2 -10.357 0.464 1.824
12 HG23 THR 2 2HG2 THR 2 -9.212 1.826 1.751
13 H TRP 3 H TRP 3 -5.842 -1.359 2.796
14 HA TRP 3 HA TRP 3 -4.222 -2.856 2.545
15 HD1 TRP 3 HD1 TRP 3 -5.232 -4.050 -2.107
16 HE1 TRP 3 HE1 TRP 3 -3.127 -5.208 -3.200
17 HE3 TRP 3 HE3 TRP 3 -2.559 -4.446 2.200
18 HZ2 TRP 3 HZ2 TRP 3 -0.636 -6.138 -2.162
19 HZ3 TRP 3 HZ3 TRP 3 -0.300 -5.490 2.073
20 HH2 TRP 3 HH2 TRP 3 0.668 -6.322 -0.012
21 HB2 TRP 3 1HB TRP 3 -5.491 -4.331 1.434
22 HB3 TRP 3 2HB TRP 3 -5.997 -3.170 0.223
23 H LEU 4 H LEU 4 -2.501 -1.271 2.738
24 HA LEU 4 HA LEU 4 -1.451 -0.213 0.246
25 HG LEU 4 HG LEU 4 -2.075 0.341 3.853
26 HB2 LEU 4 1HB LEU 4 0.027 0.335 2.705
27 HB3 LEU 4 2HB LEU 4 -0.567 1.425 1.467
28 HD11 LEU 4 1HD1 LEU 4 -2.414 2.969 4.011
29 HD12 LEU 4 2HD1 LEU 4 -0.969 2.160 4.666
30 HD13 LEU 4 3HD1 LEU 4 -0.895 2.971 3.083
31 HD21 LEU 4 3HD2 LEU 4 -3.177 0.888 1.317
32 HD22 LEU 4 1HD2 LEU 4 -4.034 0.618 2.854
33 HD23 LEU 4 2HD2 LEU 4 -3.597 2.270 2.357
34 HA PRO 5 HA PRO 5 1.242 -3.666 0.139
35 HB2 PRO 5 1HB PRO 5 2.164 -3.276 -2.404
36 HB3 PRO 5 2HB PRO 5 0.699 -4.168 -2.041
37 HG2 PRO 5 1HG PRO 5 0.982 -1.438 -3.138
38 HG3 PRO 5 2HG PRO 5 -0.418 -2.492 -3.166
39 HD2 PRO 5 1HD PRO 5 -0.002 -0.236 -1.444
40 HD3 PRO 5 2HD PRO 5 -1.346 -1.360 -1.393
41 HA PRO 6 HA PRO 6 4.901 -1.812 1.271
42 HB2 PRO 6 1HB PRO 6 6.441 -4.031 1.689
43 HB3 PRO 6 2HB PRO 6 5.323 -3.399 2.882
44 HG2 PRO 6 1HG PRO 6 5.039 -5.779 1.151
45 HG3 PRO 6 2HG PRO 6 4.164 -5.376 2.615
46 HD2 PRO 6 1HD PRO 6 3.204 -5.146 -0.078
47 HD3 PRO 6 2HD PRO 6 2.373 -4.634 1.378
48 H ARG 7 H ARG 7 6.974 -1.173 0.551
49 HA ARG 7 HA ARG 7 7.160 -1.674 -2.255
50 HE ARG 7 HE ARG 7 7.330 2.591 0.098
51 HB2 ARG 7 1HB ARG 7 8.203 0.312 -0.318
52 HB3 ARG 7 2HB ARG 7 9.399 -0.148 -1.513
53 HG2 ARG 7 1HG ARG 7 8.385 1.410 -2.842
54 HG3 ARG 7 2HG ARG 7 7.175 0.171 -3.116
55 HD2 ARG 7 1HD ARG 7 5.945 2.121 -2.445
56 HD3 ARG 7 2HD ARG 7 5.942 1.070 -1.042
57 HH11 ARG 7 2HH2 ARG 7 7.201 3.455 -3.336
58 HH12 ARG 7 1HH2 ARG 7 7.993 4.978 -3.110
59 HH21 ARG 7 2HH1 ARG 7 8.676 5.632 -0.908
Start of MODEL 19
1 HA ALA 1 HA ALA 1 -8.141 2.968 -1.928
2 H1 ALA 1 1H ALA 1 -5.954 4.070 -2.322
3 HB1 ALA 1 3HB ALA 1 -8.049 2.295 -4.076
4 HB2 ALA 1 1HB ALA 1 -6.317 2.701 -4.036
5 HB3 ALA 1 2HB ALA 1 -6.849 1.036 -3.701
6 H THR 2 H THR 2 -6.974 2.318 0.483
7 HA THR 2 HA THR 2 -6.810 0.722 2.025
8 HB THR 2 HB THR 2 -8.634 -0.769 2.037
9 HG1 THR 2 HG1 THR 2 -8.450 -0.817 -0.882
10 HG21 THR 2 3HG2 THR 2 -10.500 0.190 0.844
11 HG22 THR 2 1HG2 THR 2 -9.429 1.564 1.212
12 HG23 THR 2 2HG2 THR 2 -9.438 0.854 -0.420
13 H TRP 3 H TRP 3 -6.182 -1.673 2.472
14 HA TRP 3 HA TRP 3 -4.443 -3.062 2.381
15 HD1 TRP 3 HD1 TRP 3 -4.871 -4.074 -2.402
16 HE1 TRP 3 HE1 TRP 3 -2.619 -5.126 -3.288
17 HE3 TRP 3 HE3 TRP 3 -2.702 -4.590 2.168
18 HZ2 TRP 3 HZ2 TRP 3 -0.236 -6.034 -2.007
19 HZ3 TRP 3 HZ3 TRP 3 -0.411 -5.568 2.262
20 HH2 TRP 3 HH2 TRP 3 0.816 -6.279 0.271
21 HB2 TRP 3 1HB TRP 3 -5.529 -4.520 1.071
22 HB3 TRP 3 2HB TRP 3 -5.927 -3.319 -0.142
23 H LEU 4 H LEU 4 -2.806 -1.444 2.839
24 HA LEU 4 HA LEU 4 -1.512 -0.247 0.532
25 HG LEU 4 HG LEU 4 -2.563 0.129 4.062
26 HB2 LEU 4 1HB LEU 4 -0.345 0.232 3.167
27 HB3 LEU 4 2HB LEU 4 -0.827 1.359 1.914
28 HD11 LEU 4 1HD1 LEU 4 -1.454 1.958 4.981
29 HD12 LEU 4 2HD1 LEU 4 -1.545 2.900 3.473
30 HD13 LEU 4 3HD1 LEU 4 -3.010 2.640 4.450
31 HD21 LEU 4 3HD2 LEU 4 -4.240 0.161 2.582
32 HD22 LEU 4 1HD2 LEU 4 -4.182 1.929 2.771
33 HD23 LEU 4 2HD2 LEU 4 -3.328 1.151 1.418
34 HA PRO 5 HA PRO 5 1.285 -3.617 0.597
35 HB2 PRO 5 1HB PRO 5 2.480 -3.090 -1.803
36 HB3 PRO 5 2HB PRO 5 1.013 -4.036 -1.650
37 HG2 PRO 5 1HG PRO 5 1.332 -1.254 -2.594
38 HG3 PRO 5 2HG PRO 5 -0.020 -2.344 -2.827
39 HD2 PRO 5 1HD PRO 5 0.121 -0.156 -0.977
40 HD3 PRO 5 2HD PRO 5 -1.183 -1.316 -1.130
41 HA PRO 6 HA PRO 6 4.728 -1.717 2.221
42 HB2 PRO 6 1HB PRO 6 6.280 -3.910 2.726
43 HB3 PRO 6 2HB PRO 6 5.012 -3.363 3.806
44 HG2 PRO 6 1HG PRO 6 5.006 -5.670 1.958
45 HG3 PRO 6 2HG PRO 6 3.955 -5.356 3.325
46 HD2 PRO 6 1HD PRO 6 3.304 -5.032 0.550
47 HD3 PRO 6 2HD PRO 6 2.296 -4.609 1.920
48 H ARG 7 H ARG 7 6.093 -0.438 1.164
49 HA ARG 7 HA ARG 7 7.033 -1.420 -1.326
50 HE ARG 7 HE ARG 7 9.175 3.165 -2.355
51 HB2 ARG 7 1HB ARG 7 6.657 1.134 -0.082
52 HB3 ARG 7 2HB ARG 7 8.365 1.027 -0.461
53 HG2 ARG 7 1HG ARG 7 6.612 0.043 -2.645
54 HG3 ARG 7 2HG ARG 7 6.358 1.734 -2.258
55 HD2 ARG 7 1HD ARG 7 9.215 0.822 -2.476
56 HD3 ARG 7 2HD ARG 7 8.299 0.892 -3.968
57 HH11 ARG 7 2HH2 ARG 7 6.764 2.089 -4.717
58 HH12 ARG 7 1HH2 ARG 7 6.429 3.689 -5.290
59 HH21 ARG 7 2HH1 ARG 7 7.598 5.548 -4.329
Start of MODEL 20
1 HA ALA 1 HA ALA 1 -8.590 2.527 -1.986
2 H1 ALA 1 1H ALA 1 -6.658 3.483 -1.060
3 HB1 ALA 1 3HB ALA 1 -6.678 1.072 -3.857
4 HB2 ALA 1 1HB ALA 1 -8.456 0.973 -3.875
5 HB3 ALA 1 2HB ALA 1 -7.646 2.504 -4.287
6 H THR 2 H THR 2 -7.229 2.095 0.372
7 HA THR 2 HA THR 2 -6.864 0.608 1.986
8 HB THR 2 HB THR 2 -8.584 -0.988 2.207
9 HG1 THR 2 HG1 THR 2 -8.584 -1.200 -0.710
10 HG21 THR 2 3HG2 THR 2 -10.580 -0.216 1.094
11 HG22 THR 2 1HG2 THR 2 -9.578 1.239 1.307
12 HG23 THR 2 2HG2 THR 2 -9.649 0.431 -0.278
13 H TRP 3 H TRP 3 -6.056 -1.713 2.523
14 HA TRP 3 HA TRP 3 -4.276 -3.037 2.386
15 HD1 TRP 3 HD1 TRP 3 -4.795 -4.172 -2.361
16 HE1 TRP 3 HE1 TRP 3 -2.516 -5.116 -3.298
17 HE3 TRP 3 HE3 TRP 3 -2.459 -4.470 2.146
18 HZ2 TRP 3 HZ2 TRP 3 -0.048 -5.865 -2.077
19 HZ3 TRP 3 HZ3 TRP 3 -0.116 -5.317 2.185
20 HH2 TRP 3 HH2 TRP 3 1.087 -6.002 0.170
21 HB2 TRP 3 1HB TRP 3 -5.318 -4.580 1.139
22 HB3 TRP 3 2HB TRP 3 -5.821 -3.429 -0.084
23 H LEU 4 H LEU 4 -2.719 -1.322 2.759
24 HA LEU 4 HA LEU 4 -1.565 -0.104 0.389
25 HG LEU 4 HG LEU 4 -2.526 0.287 3.943
26 HB2 LEU 4 1HB LEU 4 -0.346 0.494 2.975
27 HB3 LEU 4 2HB LEU 4 -0.928 1.566 1.718
28 HD11 LEU 4 1HD1 LEU 4 -2.396 3.218 3.293
29 HD12 LEU 4 2HD1 LEU 4 -2.776 2.411 4.833
30 HD13 LEU 4 3HD1 LEU 4 -1.101 2.439 4.232
31 HD21 LEU 4 3HD2 LEU 4 -4.099 2.119 2.397
32 HD22 LEU 4 1HD2 LEU 4 -3.456 0.848 1.330
33 HD23 LEU 4 2HD2 LEU 4 -4.403 0.406 2.770
34 HA PRO 5 HA PRO 5 1.416 -3.312 0.430
35 HB2 PRO 5 1HB PRO 5 2.505 -2.770 -2.018
36 HB3 PRO 5 2HB PRO 5 1.098 -3.793 -1.800
37 HG2 PRO 5 1HG PRO 5 1.233 -1.016 -2.806
38 HG3 PRO 5 2HG PRO 5 -0.063 -2.184 -2.975
39 HD2 PRO 5 1HD PRO 5 0.014 0.045 -1.172
40 HD3 PRO 5 2HD PRO 5 -1.228 -1.188 -1.262
41 HA PRO 6 HA PRO 6 4.796 -1.192 1.906
42 HB2 PRO 6 1HB PRO 6 6.482 -3.284 2.404
43 HB3 PRO 6 2HB PRO 6 5.220 -2.785 3.513
44 HG2 PRO 6 1HG PRO 6 5.284 -5.128 1.712
45 HG3 PRO 6 2HG PRO 6 4.260 -4.843 3.104
46 HD2 PRO 6 1HD PRO 6 3.509 -4.615 0.347
47 HD3 PRO 6 2HD PRO 6 2.521 -4.218 1.738
48 H ARG 7 H ARG 7 6.997 -0.526 1.468
49 HA ARG 7 HA ARG 7 7.409 -0.853 -1.357
50 HE ARG 7 HE ARG 7 5.370 1.217 -2.155
51 HB2 ARG 7 1HB ARG 7 7.714 1.297 0.391
52 HB3 ARG 7 2HB ARG 7 9.373 0.770 0.185
53 HG2 ARG 7 1HG ARG 7 9.328 2.045 -1.712
54 HG3 ARG 7 2HG ARG 7 8.495 0.677 -2.424
55 HD2 ARG 7 1HD ARG 7 6.773 2.603 -0.902
56 HD3 ARG 7 2HD ARG 7 7.467 3.212 -2.392
57 HH11 ARG 7 2HH2 ARG 7 8.077 2.228 -4.205
58 HH12 ARG 7 1HH2 ARG 7 7.418 1.516 -5.639
59 HH21 ARG 7 2HH1 ARG 7 5.314 0.374 -5.524