Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
565247 | 2lws RC | 18643 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -4.533 -0.794 -2.891
2 HA2 GLY 1 2HA GLY 1 -3.300 -2.058 -4.408
3 HA3 GLY 1 3HA GLY 1 -4.173 -1.024 -5.528
4 H SER 2 H SER 2 -2.296 1.021 -3.814
5 HA SER 2 HA SER 2 -0.324 1.143 -5.954
6 HB3 SER 2 2HB SER 2 0.344 3.274 -4.588
7 HG SER 2 HG SER 2 -2.156 3.041 -5.913
8 H CYS 3 H CYS 3 0.070 -1.089 -4.443
9 HA CYS 3 HA CYS 3 1.679 -0.950 -2.207
10 HB3 CYS 3 2HB CYS 3 1.509 -2.917 -4.469
11 H PHE 4 H PHE 4 3.752 -0.454 -1.788
12 HA PHE 4 HA PHE 4 5.693 -0.270 -3.939
13 HB3 PHE 4 2HB PHE 4 6.325 2.081 -3.001
14 HD1 PHE 4 1HD PHE 4 6.357 1.071 -5.583
15 HD2 PHE 4 2HD PHE 4 3.261 3.330 -3.733
16 HE1 PHE 4 1HE PHE 4 5.588 1.822 -7.797
17 HE2 PHE 4 2HE PHE 4 2.484 4.083 -5.942
18 HZ PHE 4 HZ PHE 4 3.648 3.330 -7.978
19 H GLY 5 H GLY 5 6.533 -2.060 -2.687
20 HA2 GLY 5 2HA GLY 5 7.934 -2.998 -1.126
21 HA3 GLY 5 3HA GLY 5 8.696 -1.414 -1.083
22 H ALA 6 H ALA 6 8.553 -0.239 0.730
23 HA ALA 6 HA ALA 6 7.552 -1.378 3.099
24 HB1 ALA 6 1HB ALA 6 9.396 0.269 2.997
25 HB2 ALA 6 2HB ALA 6 8.215 1.522 2.610
26 HB3 ALA 6 3HB ALA 6 8.147 0.697 4.168
27 H PHE 7 H PHE 7 5.983 0.326 0.615
28 HA PHE 7 HA PHE 7 3.706 0.953 2.371
29 HB3 PHE 7 2HB PHE 7 2.986 2.345 0.302
30 HD1 PHE 7 2HD PHE 7 2.935 2.945 3.005
31 HD2 PHE 7 1HD PHE 7 5.950 3.993 0.189
32 HE1 PHE 7 2HE PHE 7 3.587 4.850 4.418
33 HE2 PHE 7 1HE PHE 7 6.608 5.900 1.599
34 HZ PHE 7 HZ PHE 7 5.425 6.331 3.715
35 H CYS 8 H CYS 8 4.223 -1.695 1.455
36 HA CYS 8 HA CYS 8 2.291 -2.158 -0.680
37 HB3 CYS 8 2HB CYS 8 3.713 -4.355 0.777
38 H PHE 9 H PHE 9 1.746 -1.341 2.246
39 HA PHE 9 HA PHE 9 -0.386 -3.318 2.665
40 HB3 PHE 9 2HB PHE 9 -0.026 -3.185 5.101
41 HD1 PHE 9 1HD PHE 9 0.050 -5.523 4.032
42 HD2 PHE 9 2HD PHE 9 3.475 -3.056 4.577
43 HE1 PHE 9 1HE PHE 9 1.500 -7.504 3.858
44 HE2 PHE 9 2HE PHE 9 4.931 -5.032 4.404
45 HZ PHE 9 HZ PHE 9 3.944 -7.260 4.043
46 H ARG 10 H ARG 10 -1.524 -1.562 1.472
47 HA ARG 10 HA ARG 10 -2.769 0.233 3.388
48 HB3 ARG 10 2HB ARG 10 -2.550 2.050 1.461
49 HG3 ARG 10 2HG ARG 10 -0.004 1.956 2.872
50 HD3 ARG 10 2HD ARG 10 -1.228 3.948 1.855
51 HE ARG 10 HE ARG 10 -3.140 3.319 3.873
52 HH11 ARG 10 1HH1 ARG 10 -1.613 5.958 2.190
53 HH12 ARG 10 2HH1 ARG 10 -2.939 7.047 2.426
54 HH21 ARG 10 1HH2 ARG 10 -4.893 4.745 4.190
55 HH22 ARG 10 2HH2 ARG 10 -4.803 6.356 3.565
56 H ARG 11 H ARG 11 -4.673 1.374 2.380
57 HA ARG 11 HA ARG 11 -6.108 -0.545 0.723
58 HB3 ARG 11 2HB ARG 11 -8.107 0.657 1.354
59 HG3 ARG 11 2HG ARG 11 -7.238 0.954 4.000
60 HD3 ARG 11 2HD ARG 11 -8.572 -1.226 2.432
61 HE ARG 11 HE ARG 11 -7.411 -1.649 4.949
62 HH11 ARG 11 1HH1 ARG 11 -10.457 -2.042 3.310
63 HH12 ARG 11 2HH1 ARG 11 -10.955 -3.386 4.282
64 HH21 ARG 11 1HH2 ARG 11 -8.058 -3.418 6.238
65 HH22 ARG 11 2HH2 ARG 11 -9.591 -4.166 5.949
66 H ASP 12 H ASP 12 -4.577 0.170 -1.074
67 HA ASP 12 HA ASP 12 -5.939 2.255 -2.623
68 HB3 ASP 12 2HB ASP 12 -4.134 3.562 -2.073
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -4.512 -0.799 -2.882
2 HA2 GLY 1 2HA GLY 1 -3.304 -2.041 -4.431
3 HA3 GLY 1 3HA GLY 1 -4.177 -0.989 -5.536
4 H SER 2 H SER 2 -2.302 1.034 -3.804
5 HA SER 2 HA SER 2 -0.322 1.173 -5.935
6 HB3 SER 2 2HB SER 2 0.341 3.295 -4.553
7 HG SER 2 HG SER 2 -2.143 3.051 -5.903
8 H CYS 3 H CYS 3 0.065 -1.069 -4.437
9 HA CYS 3 HA CYS 3 1.672 -0.936 -2.194
10 HB3 CYS 3 2HB CYS 3 1.487 -2.907 -4.452
11 H PHE 4 H PHE 4 3.750 -0.454 -1.781
12 HA PHE 4 HA PHE 4 5.689 -0.287 -3.938
13 HB3 PHE 4 2HB PHE 4 6.296 2.077 -2.852
14 HD1 PHE 4 1HD PHE 4 6.869 1.283 -5.354
15 HD2 PHE 4 2HD PHE 4 3.231 3.089 -4.087
16 HE1 PHE 4 1HE PHE 4 6.443 2.031 -7.659
17 HE2 PHE 4 2HE PHE 4 2.797 3.840 -6.389
18 HZ PHE 4 HZ PHE 4 4.405 3.311 -8.180
19 H GLY 5 H GLY 5 6.523 -2.079 -2.685
20 HA2 GLY 5 2HA GLY 5 7.920 -3.023 -1.127
21 HA3 GLY 5 3HA GLY 5 8.689 -1.443 -1.086
22 H ALA 6 H ALA 6 8.561 -0.272 0.731
23 HA ALA 6 HA ALA 6 7.554 -1.404 3.101
24 HB1 ALA 6 1HB ALA 6 9.370 0.123 3.243
25 HB2 ALA 6 2HB ALA 6 8.440 1.400 2.458
26 HB3 ALA 6 3HB ALA 6 8.003 0.861 4.078
27 H PHE 7 H PHE 7 5.994 0.316 0.618
28 HA PHE 7 HA PHE 7 3.727 0.962 2.378
29 HB3 PHE 7 2HB PHE 7 2.995 2.502 0.582
30 HD1 PHE 7 2HD PHE 7 3.183 3.888 2.563
31 HD2 PHE 7 1HD PHE 7 6.605 2.877 0.244
32 HE1 PHE 7 2HE PHE 7 4.463 5.665 3.686
33 HE2 PHE 7 1HE PHE 7 7.892 4.652 1.365
34 HZ PHE 7 HZ PHE 7 6.820 6.049 3.087
35 H CYS 8 H CYS 8 4.220 -1.693 1.463
36 HA CYS 8 HA CYS 8 2.281 -2.144 -0.668
37 HB3 CYS 8 2HB CYS 8 3.686 -4.350 0.796
38 H PHE 9 H PHE 9 1.747 -1.315 2.258
39 HA PHE 9 HA PHE 9 -0.386 -3.290 2.695
40 HB3 PHE 9 2HB PHE 9 -0.040 -3.026 5.152
41 HD1 PHE 9 2HD PHE 9 -0.104 -5.424 4.694
42 HD2 PHE 9 1HD PHE 9 3.432 -3.137 4.078
43 HE1 PHE 9 2HE PHE 9 1.217 -7.497 4.601
44 HE2 PHE 9 1HE PHE 9 4.759 -5.206 3.985
45 HZ PHE 9 HZ PHE 9 3.652 -7.390 4.248
46 H ARG 10 H ARG 10 -1.421 -1.474 1.403
47 HA ARG 10 HA ARG 10 -2.730 0.320 3.293
48 HB3 ARG 10 2HB ARG 10 -2.505 2.193 1.562
49 HG3 ARG 10 2HG ARG 10 0.251 1.859 2.375
50 HD3 ARG 10 2HD ARG 10 -1.996 3.761 2.746
51 HE ARG 10 HE ARG 10 0.267 4.447 4.366
52 HH11 ARG 10 1HH1 ARG 10 -2.814 2.826 4.331
53 HH12 ARG 10 2HH1 ARG 10 -3.079 3.013 6.034
54 HH21 ARG 10 1HH2 ARG 10 -0.071 4.700 6.608
55 HH22 ARG 10 2HH2 ARG 10 -1.518 4.080 7.326
56 H ARG 11 H ARG 11 -4.718 1.247 2.446
57 HA ARG 11 HA ARG 11 -6.083 -0.641 0.723
58 HB3 ARG 11 2HB ARG 11 -8.110 0.523 1.365
59 HG3 ARG 11 2HG ARG 11 -6.980 0.755 4.006
60 HD3 ARG 11 2HD ARG 11 -8.586 -1.563 3.035
61 HE ARG 11 HE ARG 11 -9.354 -0.079 5.382
62 HH11 ARG 11 1HH1 ARG 11 -7.342 -2.619 4.109
63 HH12 ARG 11 2HH1 ARG 11 -7.172 -3.427 5.632
64 HH21 ARG 11 1HH2 ARG 11 -9.138 -1.132 7.392
65 HH22 ARG 11 2HH2 ARG 11 -8.194 -2.579 7.499
66 H ASP 12 H ASP 12 -4.529 0.176 -1.046
67 HA ASP 12 HA ASP 12 -5.968 2.223 -2.582
68 HB3 ASP 12 2HB ASP 12 -4.181 3.556 -2.037
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -4.498 -0.770 -2.855
2 HA2 GLY 1 2HA GLY 1 -3.322 -2.010 -4.426
3 HA3 GLY 1 3HA GLY 1 -4.189 -0.933 -5.515
4 H SER 2 H SER 2 -2.296 1.068 -3.795
5 HA SER 2 HA SER 2 -0.315 1.184 -5.928
6 HB3 SER 2 2HB SER 2 0.364 3.304 -4.552
7 HG SER 2 HG SER 2 -0.664 3.603 -6.475
8 H CYS 3 H CYS 3 0.055 -1.057 -4.423
9 HA CYS 3 HA CYS 3 1.670 -0.923 -2.183
10 HB3 CYS 3 2HB CYS 3 1.458 -2.908 -4.426
11 H PHE 4 H PHE 4 3.754 -0.460 -1.780
12 HA PHE 4 HA PHE 4 5.687 -0.327 -3.943
13 HB3 PHE 4 2HB PHE 4 6.326 2.036 -2.885
14 HD1 PHE 4 2HD PHE 4 6.827 1.167 -5.401
15 HD2 PHE 4 1HD PHE 4 3.285 3.124 -4.078
16 HE1 PHE 4 2HE PHE 4 6.377 1.903 -7.706
17 HE2 PHE 4 1HE PHE 4 2.831 3.864 -6.380
18 HZ PHE 4 HZ PHE 4 4.378 3.254 -8.197
19 H GLY 5 H GLY 5 6.504 -2.122 -2.679
20 HA2 GLY 5 2HA GLY 5 7.897 -3.069 -1.117
21 HA3 GLY 5 3HA GLY 5 8.685 -1.497 -1.093
22 H ALA 6 H ALA 6 8.572 -0.305 0.710
23 HA ALA 6 HA ALA 6 7.566 -1.403 3.096
24 HB1 ALA 6 1HB ALA 6 7.988 1.526 2.957
25 HB2 ALA 6 2HB ALA 6 8.556 0.351 4.144
26 HB3 ALA 6 3HB ALA 6 9.367 0.490 2.583
27 H PHE 7 H PHE 7 6.011 0.306 0.602
28 HA PHE 7 HA PHE 7 3.756 0.988 2.366
29 HB3 PHE 7 2HB PHE 7 3.046 2.563 0.635
30 HD1 PHE 7 2HD PHE 7 3.902 3.286 3.090
31 HD2 PHE 7 1HD PHE 7 6.189 3.424 -0.498
32 HE1 PHE 7 2HE PHE 7 5.354 5.004 4.086
33 HE2 PHE 7 1HE PHE 7 7.645 5.142 0.493
34 HZ PHE 7 HZ PHE 7 7.228 5.935 2.787
35 H CYS 8 H CYS 8 4.222 -1.678 1.471
36 HA CYS 8 HA CYS 8 2.272 -2.128 -0.650
37 HB3 CYS 8 2HB CYS 8 3.661 -4.335 0.825
38 H PHE 9 H PHE 9 1.756 -1.272 2.271
39 HA PHE 9 HA PHE 9 -0.374 -3.245 2.748
40 HB3 PHE 9 2HB PHE 9 -0.011 -3.174 5.112
41 HD1 PHE 9 1HD PHE 9 0.590 -5.449 4.288
42 HD2 PHE 9 2HD PHE 9 3.431 -2.288 4.537
43 HE1 PHE 9 1HE PHE 9 2.419 -7.089 4.169
44 HE2 PHE 9 2HE PHE 9 5.266 -3.925 4.418
45 HZ PHE 9 HZ PHE 9 4.761 -6.327 4.232
46 H ARG 10 H ARG 10 -1.407 -1.469 1.386
47 HA ARG 10 HA ARG 10 -2.746 0.370 3.216
48 HB3 ARG 10 2HB ARG 10 -2.549 2.139 1.324
49 HG3 ARG 10 2HG ARG 10 0.069 1.665 2.679
50 HD3 ARG 10 2HD ARG 10 -1.533 4.190 2.616
51 HE ARG 10 HE ARG 10 0.941 3.668 3.610
52 HH11 ARG 10 1HH1 ARG 10 -0.270 5.683 1.043
53 HH12 ARG 10 2HH1 ARG 10 0.988 6.865 1.200
54 HH21 ARG 10 1HH2 ARG 10 2.602 5.217 3.828
55 HH22 ARG 10 2HH2 ARG 10 2.621 6.598 2.784
56 H ARG 11 H ARG 11 -4.773 1.170 2.406
57 HA ARG 11 HA ARG 11 -6.091 -0.767 0.711
58 HB3 ARG 11 2HB ARG 11 -8.147 0.343 1.355
59 HG3 ARG 11 2HG ARG 11 -8.021 0.289 3.819
60 HD3 ARG 11 2HD ARG 11 -6.496 -2.072 3.482
61 HE ARG 11 HE ARG 11 -9.155 -1.434 4.138
62 HH11 ARG 11 1HH1 ARG 11 -7.265 -4.006 2.748
63 HH12 ARG 11 2HH1 ARG 11 -8.346 -5.257 3.264
64 HH21 ARG 11 1HH2 ARG 11 -10.586 -3.073 4.825
65 HH22 ARG 11 2HH2 ARG 11 -10.237 -4.725 4.445
66 H ASP 12 H ASP 12 -4.375 0.323 -0.933
67 HA ASP 12 HA ASP 12 -5.940 2.255 -2.515
68 HB3 ASP 12 2HB ASP 12 -4.143 3.583 -1.998
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -4.489 -0.776 -2.868
2 HA2 GLY 1 2HA GLY 1 -3.317 -1.996 -4.455
3 HA3 GLY 1 3HA GLY 1 -4.180 -0.912 -5.536
4 H SER 2 H SER 2 -2.298 1.075 -3.784
5 HA SER 2 HA SER 2 -0.309 1.220 -5.905
6 HB3 SER 2 2HB SER 2 0.358 3.326 -4.502
7 HG SER 2 HG SER 2 -1.018 4.460 -5.735
8 H CYS 3 H CYS 3 0.058 -1.036 -4.421
9 HA CYS 3 HA CYS 3 1.671 -0.909 -2.175
10 HB3 CYS 3 2HB CYS 3 1.439 -2.897 -4.411
11 H PHE 4 H PHE 4 3.760 -0.458 -1.777
12 HA PHE 4 HA PHE 4 5.687 -0.344 -3.946
13 HB3 PHE 4 2HB PHE 4 6.391 1.995 -3.103
14 HD1 PHE 4 2HD PHE 4 6.127 0.865 -5.666
15 HD2 PHE 4 1HD PHE 4 3.399 3.420 -3.628
16 HE1 PHE 4 2HE PHE 4 5.222 1.617 -7.827
17 HE2 PHE 4 1HE PHE 4 2.489 4.175 -5.786
18 HZ PHE 4 HZ PHE 4 3.401 3.274 -7.888
19 H GLY 5 H GLY 5 6.496 -2.139 -2.680
20 HA2 GLY 5 2HA GLY 5 7.886 -3.092 -1.120
21 HA3 GLY 5 3HA GLY 5 8.685 -1.526 -1.102
22 H ALA 6 H ALA 6 8.585 -0.331 0.701
23 HA ALA 6 HA ALA 6 7.577 -1.420 3.091
24 HB1 ALA 6 1HB ALA 6 8.014 0.932 3.983
25 HB2 ALA 6 2HB ALA 6 9.386 0.051 3.310
26 HB3 ALA 6 3HB ALA 6 8.593 1.308 2.360
27 H PHE 7 H PHE 7 6.028 0.296 0.600
28 HA PHE 7 HA PHE 7 3.783 0.997 2.366
29 HB3 PHE 7 2HB PHE 7 3.082 2.580 0.647
30 HD1 PHE 7 2HD PHE 7 3.541 3.979 2.573
31 HD2 PHE 7 1HD PHE 7 6.665 2.711 -0.024
32 HE1 PHE 7 2HE PHE 7 5.031 5.680 3.542
33 HE2 PHE 7 1HE PHE 7 8.160 4.409 0.940
34 HZ PHE 7 HZ PHE 7 7.345 5.897 2.726
35 H CYS 8 H CYS 8 4.228 -1.675 1.476
36 HA CYS 8 HA CYS 8 2.267 -2.114 -0.639
37 HB3 CYS 8 2HB CYS 8 3.647 -4.330 0.836
38 H PHE 9 H PHE 9 1.766 -1.250 2.282
39 HA PHE 9 HA PHE 9 -0.365 -3.218 2.777
40 HB3 PHE 9 2HB PHE 9 -0.032 -2.857 5.217
41 HD1 PHE 9 1HD PHE 9 -0.031 -5.285 4.517
42 HD2 PHE 9 2HD PHE 9 3.474 -2.870 4.505
43 HE1 PHE 9 1HE PHE 9 1.360 -7.313 4.514
44 HE2 PHE 9 2HE PHE 9 4.872 -4.894 4.502
45 HZ PHE 9 HZ PHE 9 3.816 -7.120 4.505
46 H ARG 10 H ARG 10 -1.401 -1.459 1.389
47 HA ARG 10 HA ARG 10 -2.753 0.394 3.194
48 HB3 ARG 10 2HB ARG 10 -2.547 2.191 1.393
49 HG3 ARG 10 2HG ARG 10 -0.239 2.872 2.041
50 HD3 ARG 10 2HD ARG 10 -2.516 2.439 3.751
51 HE ARG 10 HE ARG 10 -1.407 1.618 5.566
52 HH11 ARG 10 1HH1 ARG 10 0.674 3.861 3.907
53 HH12 ARG 10 2HH1 ARG 10 1.912 3.809 5.117
54 HH21 ARG 10 1HH2 ARG 10 0.216 1.540 7.167
55 HH22 ARG 10 2HH2 ARG 10 1.653 2.488 6.971
56 H ARG 11 H ARG 11 -4.794 1.126 2.415
57 HA ARG 11 HA ARG 11 -6.081 -0.808 0.698
58 HB3 ARG 11 2HB ARG 11 -8.137 0.598 1.255
59 HG3 ARG 11 2HG ARG 11 -6.710 -0.336 3.722
60 HD3 ARG 11 2HD ARG 11 -9.587 -0.301 2.830
61 HE ARG 11 HE ARG 11 -8.485 -2.113 4.619
62 HH11 ARG 11 1HH1 ARG 11 -10.982 0.311 4.593
63 HH12 ARG 11 2HH1 ARG 11 -11.953 -0.490 5.783
64 HH21 ARG 11 1HH2 ARG 11 -9.753 -3.177 6.186
65 HH22 ARG 11 2HH2 ARG 11 -11.252 -2.473 6.691
66 H ASP 12 H ASP 12 -4.397 0.295 -0.954
67 HA ASP 12 HA ASP 12 -5.989 2.219 -2.518
68 HB3 ASP 12 2HB ASP 12 -4.215 3.577 -1.995
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -4.479 -0.733 -2.810
2 HA2 GLY 1 2HA GLY 1 -3.331 -2.001 -4.377
3 HA3 GLY 1 3HA GLY 1 -4.199 -0.940 -5.477
4 H SER 2 H SER 2 -2.284 1.076 -3.795
5 HA SER 2 HA SER 2 -0.318 1.156 -5.942
6 HB3 SER 2 2HB SER 2 0.382 3.288 -4.595
7 HG SER 2 HG SER 2 -1.872 4.153 -5.456
8 H CYS 3 H CYS 3 0.050 -1.068 -4.410
9 HA CYS 3 HA CYS 3 1.672 -0.927 -2.182
10 HB3 CYS 3 2HB CYS 3 1.463 -2.918 -4.419
11 H PHE 4 H PHE 4 3.758 -0.461 -1.782
12 HA PHE 4 HA PHE 4 5.687 -0.330 -3.948
13 HB3 PHE 4 2HB PHE 4 6.329 2.035 -2.908
14 HD1 PHE 4 2HD PHE 4 6.758 1.112 -5.440
15 HD2 PHE 4 1HD PHE 4 3.303 3.169 -4.047
16 HE1 PHE 4 2HE PHE 4 6.272 1.844 -7.737
17 HE2 PHE 4 1HE PHE 4 2.812 3.906 -6.342
18 HZ PHE 4 HZ PHE 4 4.298 3.244 -8.191
19 H GLY 5 H GLY 5 6.510 -2.118 -2.682
20 HA2 GLY 5 2HA GLY 5 7.907 -3.062 -1.121
21 HA3 GLY 5 3HA GLY 5 8.691 -1.489 -1.098
22 H ALA 6 H ALA 6 8.579 -0.299 0.707
23 HA ALA 6 HA ALA 6 7.574 -1.399 3.091
24 HB1 ALA 6 1HB ALA 6 9.401 0.112 3.220
25 HB2 ALA 6 2HB ALA 6 8.487 1.387 2.415
26 HB3 ALA 6 3HB ALA 6 8.043 0.877 4.043
27 H PHE 7 H PHE 7 6.018 0.311 0.600
28 HA PHE 7 HA PHE 7 3.763 0.993 2.364
29 HB3 PHE 7 2HB PHE 7 3.040 2.412 0.356
30 HD1 PHE 7 1HD PHE 7 6.613 2.644 1.399
31 HD2 PHE 7 2HD PHE 7 2.695 4.291 1.631
32 HE1 PHE 7 1HE PHE 7 7.485 4.524 2.723
33 HE2 PHE 7 2HE PHE 7 3.562 6.175 2.956
34 HZ PHE 7 HZ PHE 7 5.960 6.293 3.501
35 H CYS 8 H CYS 8 4.230 -1.675 1.475
36 HA CYS 8 HA CYS 8 2.276 -2.130 -0.644
37 HB3 CYS 8 2HB CYS 8 3.668 -4.334 0.833
38 H PHE 9 H PHE 9 1.764 -1.269 2.275
39 HA PHE 9 HA PHE 9 -0.358 -3.247 2.763
40 HB3 PHE 9 2HB PHE 9 -0.017 -3.055 5.161
41 HD1 PHE 9 2HD PHE 9 0.355 -5.413 4.492
42 HD2 PHE 9 1HD PHE 9 3.471 -2.515 4.408
43 HE1 PHE 9 2HE PHE 9 2.026 -7.218 4.415
44 HE2 PHE 9 1HE PHE 9 5.147 -4.315 4.330
45 HZ PHE 9 HZ PHE 9 4.426 -6.670 4.335
46 H ARG 10 H ARG 10 -1.431 -1.509 1.401
47 HA ARG 10 HA ARG 10 -2.744 0.363 3.215
48 HB3 ARG 10 2HB ARG 10 -2.597 2.006 1.127
49 HG3 ARG 10 2HG ARG 10 -0.172 1.777 2.880
50 HD3 ARG 10 2HD ARG 10 -0.435 3.530 1.021
51 HE ARG 10 HE ARG 10 -2.756 4.191 2.477
52 HH11 ARG 10 1HH1 ARG 10 -0.013 5.677 0.931
53 HH12 ARG 10 2HH1 ARG 10 -0.844 7.158 0.590
54 HH21 ARG 10 1HH2 ARG 10 -3.860 6.136 2.031
55 HH22 ARG 10 2HH2 ARG 10 -3.031 7.418 1.216
56 H ARG 11 H ARG 11 -4.739 1.275 2.275
57 HA ARG 11 HA ARG 11 -6.111 -0.767 0.718
58 HB3 ARG 11 2HB ARG 11 -7.344 1.729 1.868
59 HG3 ARG 11 2HG ARG 11 -8.560 -0.041 0.336
60 HD3 ARG 11 2HD ARG 11 -9.521 -1.237 2.807
61 HE ARG 11 HE ARG 11 -9.253 -2.019 0.103
62 HH11 ARG 11 1HH1 ARG 11 -9.309 -3.311 3.334
63 HH12 ARG 11 2HH1 ARG 11 -9.905 -4.861 2.843
64 HH21 ARG 11 1HH2 ARG 11 -10.037 -4.057 -0.555
65 HH22 ARG 11 2HH2 ARG 11 -10.318 -5.286 0.630
66 H ASP 12 H ASP 12 -4.309 0.468 -0.872
67 HA ASP 12 HA ASP 12 -5.939 2.289 -2.519
68 HB3 ASP 12 2HB ASP 12 -4.142 3.634 -2.040
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -4.503 -0.775 -2.877
2 HA2 GLY 1 2HA GLY 1 -3.310 -2.002 -4.448
3 HA3 GLY 1 3HA GLY 1 -4.175 -0.926 -5.537
4 H SER 2 H SER 2 -2.297 1.069 -3.782
5 HA SER 2 HA SER 2 -0.308 1.218 -5.904
6 HB3 SER 2 2HB SER 2 0.358 3.324 -4.504
7 HG SER 2 HG SER 2 -0.645 3.734 -6.385
8 H CYS 3 H CYS 3 0.062 -1.040 -4.420
9 HA CYS 3 HA CYS 3 1.675 -0.912 -2.175
10 HB3 CYS 3 2HB CYS 3 1.444 -2.898 -4.413
11 H PHE 4 H PHE 4 3.763 -0.458 -1.780
12 HA PHE 4 HA PHE 4 5.690 -0.342 -3.949
13 HB3 PHE 4 2HB PHE 4 6.370 2.012 -2.980
14 HD1 PHE 4 1HD PHE 4 6.531 0.984 -5.545
15 HD2 PHE 4 2HD PHE 4 3.359 3.288 -3.889
16 HE1 PHE 4 1HE PHE 4 5.894 1.724 -7.804
17 HE2 PHE 4 2HE PHE 4 2.717 4.031 -6.145
18 HZ PHE 4 HZ PHE 4 3.983 3.248 -8.106
19 H GLY 5 H GLY 5 6.501 -2.138 -2.684
20 HA2 GLY 5 2HA GLY 5 7.893 -3.090 -1.124
21 HA3 GLY 5 3HA GLY 5 8.691 -1.522 -1.106
22 H ALA 6 H ALA 6 8.591 -0.328 0.697
23 HA ALA 6 HA ALA 6 7.585 -1.417 3.085
24 HB1 ALA 6 1HB ALA 6 9.416 0.072 3.235
25 HB2 ALA 6 2HB ALA 6 8.541 1.347 2.387
26 HB3 ALA 6 3HB ALA 6 8.057 0.880 4.017
27 H PHE 7 H PHE 7 6.034 0.297 0.596
28 HA PHE 7 HA PHE 7 3.788 0.996 2.365
29 HB3 PHE 7 2HB PHE 7 3.068 2.433 0.380
30 HD1 PHE 7 1HD PHE 7 2.990 3.465 2.733
31 HD2 PHE 7 2HD PHE 7 6.460 3.457 0.269
32 HE1 PHE 7 1HE PHE 7 3.917 5.332 4.039
33 HE2 PHE 7 2HE PHE 7 7.394 5.323 1.572
34 HZ PHE 7 HZ PHE 7 6.122 6.262 3.459
35 H CYS 8 H CYS 8 4.235 -1.674 1.472
36 HA CYS 8 HA CYS 8 2.274 -2.115 -0.641
37 HB3 CYS 8 2HB CYS 8 3.655 -4.327 0.835
38 H PHE 9 H PHE 9 1.773 -1.250 2.280
39 HA PHE 9 HA PHE 9 -0.362 -3.214 2.770
40 HB3 PHE 9 2HB PHE 9 -0.021 -2.964 5.185
41 HD1 PHE 9 1HD PHE 9 0.408 -5.149 3.396
42 HD2 PHE 9 2HD PHE 9 3.275 -2.854 5.546
43 HE1 PHE 9 1HE PHE 9 1.970 -7.050 3.335
44 HE2 PHE 9 2HE PHE 9 4.842 -4.748 5.490
45 HZ PHE 9 HZ PHE 9 4.190 -6.851 4.382
46 H ARG 10 H ARG 10 -1.471 -1.511 1.434
47 HA ARG 10 HA ARG 10 -2.792 0.352 3.235
48 HB3 ARG 10 2HB ARG 10 -2.566 2.210 1.565
49 HG3 ARG 10 2HG ARG 10 0.022 1.198 2.719
50 HD3 ARG 10 2HD ARG 10 0.093 3.004 0.878
51 HE ARG 10 HE ARG 10 -1.501 4.399 2.805
52 HH11 ARG 10 1HH1 ARG 10 0.931 4.757 0.340
53 HH12 ARG 10 2HH1 ARG 10 0.529 6.408 0.000
54 HH21 ARG 10 1HH2 ARG 10 -2.039 6.572 2.366
55 HH22 ARG 10 2HH2 ARG 10 -1.159 7.439 1.153
56 H ARG 11 H ARG 11 -4.810 1.158 2.400
57 HA ARG 11 HA ARG 11 -6.106 -0.783 0.683
58 HB3 ARG 11 2HB ARG 11 -8.149 0.681 1.221
59 HG3 ARG 11 2HG ARG 11 -6.829 -0.353 3.703
60 HD3 ARG 11 2HD ARG 11 -9.659 -0.639 2.724
61 HE ARG 11 HE ARG 11 -8.372 -1.669 4.984
62 HH11 ARG 11 1HH1 ARG 11 -11.259 0.082 4.138
63 HH12 ARG 11 2HH1 ARG 11 -12.182 -0.539 5.466
64 HH21 ARG 11 1HH2 ARG 11 -9.577 -2.496 6.736
65 HH22 ARG 11 2HH2 ARG 11 -11.224 -2.004 6.944
66 H ASP 12 H ASP 12 -4.415 0.287 -0.966
67 HA ASP 12 HA ASP 12 -5.972 2.234 -2.534
68 HB3 ASP 12 2HB ASP 12 -4.190 3.575 -1.997
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -4.480 -0.790 -2.899
2 HA2 GLY 1 2HA GLY 1 -3.305 -1.973 -4.506
3 HA3 GLY 1 3HA GLY 1 -4.162 -0.875 -5.576
4 H SER 2 H SER 2 -2.309 1.088 -3.768
5 HA SER 2 HA SER 2 -0.298 1.282 -5.863
6 HB3 SER 2 2HB SER 2 0.345 3.364 -4.414
7 HG SER 2 HG SER 2 -2.129 3.176 -5.794
8 H CYS 3 H CYS 3 0.066 -1.001 -4.422
9 HA CYS 3 HA CYS 3 1.674 -0.884 -2.159
10 HB3 CYS 3 2HB CYS 3 1.408 -2.876 -4.389
11 H PHE 4 H PHE 4 3.768 -0.457 -1.773
12 HA PHE 4 HA PHE 4 5.687 -0.373 -3.950
13 HB3 PHE 4 2HB PHE 4 6.401 1.975 -2.989
14 HD1 PHE 4 2HD PHE 4 6.676 1.115 -5.529
15 HD2 PHE 4 1HD PHE 4 3.278 3.109 -3.920
16 HE1 PHE 4 2HE PHE 4 6.047 1.856 -7.788
17 HE2 PHE 4 1HE PHE 4 2.641 3.851 -6.179
18 HZ PHE 4 HZ PHE 4 4.027 3.226 -8.116
19 H GLY 5 H GLY 5 6.480 -2.175 -2.681
20 HA2 GLY 5 2HA GLY 5 7.867 -3.139 -1.124
21 HA3 GLY 5 3HA GLY 5 8.684 -1.583 -1.114
22 H ALA 6 H ALA 6 8.606 -0.379 0.684
23 HA ALA 6 HA ALA 6 7.595 -1.447 3.082
24 HB1 ALA 6 1HB ALA 6 8.629 1.274 2.342
25 HB2 ALA 6 2HB ALA 6 8.071 0.893 3.972
26 HB3 ALA 6 3HB ALA 6 9.428 0.007 3.274
27 H PHE 7 H PHE 7 6.057 0.278 0.591
28 HA PHE 7 HA PHE 7 3.827 1.013 2.365
29 HB3 PHE 7 2HB PHE 7 3.115 2.524 0.511
30 HD1 PHE 7 2HD PHE 7 3.639 3.305 3.029
31 HD2 PHE 7 1HD PHE 7 6.341 3.511 -0.253
32 HE1 PHE 7 2HE PHE 7 4.888 5.088 4.174
33 HE2 PHE 7 1HE PHE 7 7.594 5.294 0.887
34 HZ PHE 7 HZ PHE 7 6.869 6.086 3.103
35 H CYS 8 H CYS 8 4.237 -1.666 1.483
36 HA CYS 8 HA CYS 8 2.263 -2.091 -0.622
37 HB3 CYS 8 2HB CYS 8 3.621 -4.317 0.854
38 H PHE 9 H PHE 9 1.785 -1.210 2.297
39 HA PHE 9 HA PHE 9 -0.355 -3.165 2.818
40 HB3 PHE 9 2HB PHE 9 0.001 -2.987 5.189
41 HD1 PHE 9 2HD PHE 9 0.619 -5.213 3.820
42 HD2 PHE 9 1HD PHE 9 3.387 -2.287 5.196
43 HE1 PHE 9 2HE PHE 9 2.418 -6.892 3.763
44 HE2 PHE 9 1HE PHE 9 5.189 -3.961 5.140
45 HZ PHE 9 HZ PHE 9 4.705 -6.267 4.424
46 H ARG 10 H ARG 10 -1.416 -1.454 1.407
47 HA ARG 10 HA ARG 10 -2.782 0.421 3.169
48 HB3 ARG 10 2HB ARG 10 -2.535 2.262 1.504
49 HG3 ARG 10 2HG ARG 10 0.253 1.512 2.206
50 HD3 ARG 10 2HD ARG 10 -0.291 3.717 1.249
51 HE ARG 10 HE ARG 10 -2.495 3.779 2.813
52 HH11 ARG 10 1HH1 ARG 10 0.334 5.795 2.587
53 HH12 ARG 10 2HH1 ARG 10 -0.493 7.235 3.080
54 HH21 ARG 10 1HH2 ARG 10 -3.596 5.669 3.463
55 HH22 ARG 10 2HH2 ARG 10 -2.729 7.163 3.579
56 H ARG 11 H ARG 11 -4.845 1.026 2.449
57 HA ARG 11 HA ARG 11 -6.068 -0.879 0.666
58 HB3 ARG 11 2HB ARG 11 -8.167 0.414 1.244
59 HG3 ARG 11 2HG ARG 11 -6.544 -1.176 3.035
60 HD3 ARG 11 2HD ARG 11 -7.156 1.082 4.290
61 HE ARG 11 HE ARG 11 -9.693 0.305 3.843
62 HH11 ARG 11 1HH1 ARG 11 -7.748 0.462 6.725
63 HH12 ARG 11 2HH1 ARG 11 -9.094 0.763 7.774
64 HH21 ARG 11 1HH2 ARG 11 -11.473 0.701 5.212
65 HH22 ARG 11 2HH2 ARG 11 -11.212 0.898 6.912
66 H ASP 12 H ASP 12 -4.442 0.232 -0.993
67 HA ASP 12 HA ASP 12 -6.057 2.162 -2.523
68 HB3 ASP 12 2HB ASP 12 -4.318 3.555 -1.972
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -4.459 -0.760 -2.863
2 HA2 GLY 1 2HA GLY 1 -3.310 -1.960 -4.470
3 HA3 GLY 1 3HA GLY 1 -4.164 -0.872 -5.553
4 H SER 2 H SER 2 -2.302 1.100 -3.755
5 HA SER 2 HA SER 2 -0.297 1.278 -5.859
6 HB3 SER 2 2HB SER 2 0.358 3.365 -4.420
7 HG SER 2 HG SER 2 -1.148 4.540 -5.548
8 H CYS 3 H CYS 3 0.062 -1.000 -4.406
9 HA CYS 3 HA CYS 3 1.678 -0.881 -2.151
10 HB3 CYS 3 2HB CYS 3 1.401 -2.879 -4.373
11 H PHE 4 H PHE 4 3.774 -0.457 -1.770
12 HA PHE 4 HA PHE 4 5.688 -0.385 -3.954
13 HB3 PHE 4 2HB PHE 4 6.401 1.969 -2.962
14 HD1 PHE 4 1HD PHE 4 6.699 0.994 -5.502
15 HD2 PHE 4 2HD PHE 4 3.385 3.200 -3.998
16 HE1 PHE 4 1HE PHE 4 6.154 1.724 -7.787
17 HE2 PHE 4 2HE PHE 4 2.833 3.933 -6.282
18 HZ PHE 4 HZ PHE 4 4.216 3.195 -8.179
19 H GLY 5 H GLY 5 6.484 -2.183 -2.685
20 HA2 GLY 5 2HA GLY 5 7.873 -3.145 -1.127
21 HA3 GLY 5 3HA GLY 5 8.691 -1.592 -1.122
22 H ALA 6 H ALA 6 8.622 -0.390 0.678
23 HA ALA 6 HA ALA 6 7.610 -1.455 3.078
24 HB1 ALA 6 1HB ALA 6 8.130 0.829 4.004
25 HB2 ALA 6 2HB ALA 6 9.470 0.011 3.197
26 HB3 ALA 6 3HB ALA 6 8.594 1.299 2.369
27 H PHE 7 H PHE 7 6.073 0.276 0.587
28 HA PHE 7 HA PHE 7 3.850 1.020 2.366
29 HB3 PHE 7 2HB PHE 7 3.140 2.535 0.520
30 HD1 PHE 7 2HD PHE 7 3.788 3.218 3.087
31 HD2 PHE 7 1HD PHE 7 6.275 3.592 -0.346
32 HE1 PHE 7 2HE PHE 7 5.068 4.991 4.212
33 HE2 PHE 7 1HE PHE 7 7.559 5.368 0.773
34 HZ PHE 7 HZ PHE 7 6.955 6.071 3.055
35 H CYS 8 H CYS 8 4.249 -1.663 1.488
36 HA CYS 8 HA CYS 8 2.268 -2.086 -0.611
37 HB3 CYS 8 2HB CYS 8 3.623 -4.312 0.869
38 H PHE 9 H PHE 9 1.799 -1.197 2.309
39 HA PHE 9 HA PHE 9 -0.331 -3.155 2.851
40 HB3 PHE 9 2HB PHE 9 -0.004 -2.785 5.257
41 HD1 PHE 9 1HD PHE 9 3.443 -2.538 4.011
42 HD2 PHE 9 2HD PHE 9 0.289 -5.149 5.171
43 HE1 PHE 9 1HE PHE 9 5.022 -4.425 4.041
44 HE2 PHE 9 2HE PHE 9 1.862 -7.040 5.204
45 HZ PHE 9 HZ PHE 9 4.232 -6.681 4.640
46 H ARG 10 H ARG 10 -1.410 -1.483 1.409
47 HA ARG 10 HA ARG 10 -2.766 0.437 3.139
48 HB3 ARG 10 2HB ARG 10 -2.617 2.090 1.137
49 HG3 ARG 10 2HG ARG 10 0.044 1.825 2.425
50 HD3 ARG 10 2HD ARG 10 -1.682 3.900 1.350
51 HE ARG 10 HE ARG 10 -0.311 5.041 3.578
52 HH11 ARG 10 1HH1 ARG 10 -3.282 3.523 2.582
53 HH12 ARG 10 2HH1 ARG 10 -4.232 4.273 3.823
54 HH21 ARG 10 1HH2 ARG 10 -1.552 6.035 5.214
55 HH22 ARG 10 2HH2 ARG 10 -3.248 5.704 5.318
56 H ARG 11 H ARG 11 -4.811 1.156 2.300
57 HA ARG 11 HA ARG 11 -6.084 -0.891 0.682
58 HB3 ARG 11 2HB ARG 11 -8.181 0.383 1.277
59 HG3 ARG 11 2HG ARG 11 -6.939 -0.035 3.900
60 HD3 ARG 11 2HD ARG 11 -8.850 -1.733 3.950
61 HE ARG 11 HE ARG 11 -8.992 1.039 4.253
62 HH11 ARG 11 1HH1 ARG 11 -11.103 -1.663 3.649
63 HH12 ARG 11 2HH1 ARG 11 -12.478 -0.926 4.403
64 HH21 ARG 11 1HH2 ARG 11 -10.794 2.019 5.248
65 HH22 ARG 11 2HH2 ARG 11 -12.302 1.169 5.313
66 H ASP 12 H ASP 12 -4.394 0.366 -0.944
67 HA ASP 12 HA ASP 12 -6.109 2.159 -2.537
68 HB3 ASP 12 2HB ASP 12 -4.400 3.604 -2.036
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -4.438 -0.790 -2.901
2 HA2 GLY 1 2HA GLY 1 -3.297 -1.940 -4.544
3 HA3 GLY 1 3HA GLY 1 -4.146 -0.830 -5.610
4 H SER 2 H SER 2 -2.320 1.108 -3.742
5 HA SER 2 HA SER 2 -0.290 1.350 -5.813
6 HB3 SER 2 2HB SER 2 0.333 3.406 -4.321
7 HG SER 2 HG SER 2 -0.779 3.527 -6.342
8 H CYS 3 H CYS 3 0.068 -0.959 -4.413
9 HA CYS 3 HA CYS 3 1.673 -0.856 -2.136
10 HB3 CYS 3 2HB CYS 3 1.371 -2.853 -4.358
11 H PHE 4 H PHE 4 3.775 -0.454 -1.763
12 HA PHE 4 HA PHE 4 5.685 -0.404 -3.951
13 HB3 PHE 4 2HB PHE 4 6.432 1.939 -2.997
14 HD1 PHE 4 1HD PHE 4 6.688 1.055 -5.535
15 HD2 PHE 4 2HD PHE 4 3.330 3.120 -3.929
16 HE1 PHE 4 1HE PHE 4 6.064 1.795 -7.798
17 HE2 PHE 4 2HE PHE 4 2.701 3.863 -6.187
18 HZ PHE 4 HZ PHE 4 4.067 3.199 -8.126
19 H GLY 5 H GLY 5 6.462 -2.210 -2.681
20 HA2 GLY 5 2HA GLY 5 7.842 -3.188 -1.126
21 HA3 GLY 5 3HA GLY 5 8.680 -1.643 -1.126
22 H ALA 6 H ALA 6 8.628 -0.435 0.671
23 HA ALA 6 HA ALA 6 7.615 -1.482 3.076
24 HB1 ALA 6 1HB ALA 6 8.911 1.045 2.241
25 HB2 ALA 6 2HB ALA 6 8.020 1.062 3.763
26 HB3 ALA 6 3HB ALA 6 9.342 -0.083 3.528
27 H PHE 7 H PHE 7 6.087 0.258 0.587
28 HA PHE 7 HA PHE 7 3.875 1.027 2.372
29 HB3 PHE 7 2HB PHE 7 3.175 2.539 0.513
30 HD1 PHE 7 2HD PHE 7 3.432 3.729 2.710
31 HD2 PHE 7 1HD PHE 7 6.691 3.080 0.051
32 HE1 PHE 7 2HE PHE 7 4.707 5.501 3.845
33 HE2 PHE 7 1HE PHE 7 7.971 4.851 1.181
34 HZ PHE 7 HZ PHE 7 6.978 6.066 3.080
35 H CYS 8 H CYS 8 4.244 -1.660 1.496
36 HA CYS 8 HA CYS 8 2.254 -2.066 -0.596
37 HB3 CYS 8 2HB CYS 8 3.591 -4.305 0.880
38 H PHE 9 H PHE 9 1.804 -1.169 2.322
39 HA PHE 9 HA PHE 9 -0.331 -3.119 2.885
40 HB3 PHE 9 2HB PHE 9 0.008 -2.814 5.260
41 HD1 PHE 9 1HD PHE 9 0.503 -5.178 4.471
42 HD2 PHE 9 2HD PHE 9 3.473 -2.141 4.746
43 HE1 PHE 9 1HE PHE 9 2.258 -6.901 4.491
44 HE2 PHE 9 2HE PHE 9 5.232 -3.860 4.764
45 HZ PHE 9 HZ PHE 9 4.628 -6.242 4.637
46 H ARG 10 H ARG 10 -1.330 -1.404 1.373
47 HA ARG 10 HA ARG 10 -2.738 0.506 3.083
48 HB3 ARG 10 2HB ARG 10 -2.499 2.302 1.434
49 HG3 ARG 10 2HG ARG 10 0.330 1.512 1.760
50 HD3 ARG 10 2HD ARG 10 0.505 3.784 2.624
51 HE ARG 10 HE ARG 10 -0.537 3.311 0.004
52 HH11 ARG 10 1HH1 ARG 10 0.421 5.785 2.258
53 HH12 ARG 10 2HH1 ARG 10 0.779 6.950 1.026
54 HH21 ARG 10 1HH2 ARG 10 -0.071 4.835 -1.626
55 HH22 ARG 10 2HH2 ARG 10 0.498 6.411 -1.183
56 H ARG 11 H ARG 11 -4.824 1.021 2.391
57 HA ARG 11 HA ARG 11 -6.028 -0.958 0.669
58 HB3 ARG 11 2HB ARG 11 -7.505 1.371 1.846
59 HG3 ARG 11 2HG ARG 11 -8.272 -1.531 1.624
60 HD3 ARG 11 2HD ARG 11 -10.577 -0.460 1.875
61 HE ARG 11 HE ARG 11 -8.969 -1.430 3.824
62 HH11 ARG 11 1HH1 ARG 11 -11.269 1.180 3.684
63 HH12 ARG 11 2HH1 ARG 11 -11.706 1.056 5.356
64 HH21 ARG 11 1HH2 ARG 11 -9.537 -1.602 6.027
65 HH22 ARG 11 2HH2 ARG 11 -10.720 -0.526 6.687
66 H ASP 12 H ASP 12 -4.458 0.236 -1.014
67 HA ASP 12 HA ASP 12 -6.197 2.063 -2.536
68 HB3 ASP 12 2HB ASP 12 -4.536 3.557 -2.013
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -4.479 -0.821 -2.906
2 HA2 GLY 1 2HA GLY 1 -3.275 -2.024 -4.470
3 HA3 GLY 1 3HA GLY 1 -4.141 -0.981 -5.591
4 H SER 2 H SER 2 -2.323 1.031 -3.755
5 HA SER 2 HA SER 2 -0.318 1.266 -5.855
6 HB3 SER 2 2HB SER 2 0.301 3.344 -4.392
7 HG SER 2 HG SER 2 -2.182 3.888 -5.301
8 H CYS 3 H CYS 3 0.075 -1.024 -4.429
9 HA CYS 3 HA CYS 3 1.678 -0.915 -2.168
10 HB3 CYS 3 2HB CYS 3 1.459 -2.875 -4.431
11 H PHE 4 H PHE 4 3.761 -0.450 -1.767
12 HA PHE 4 HA PHE 4 5.689 -0.298 -3.932
13 HB3 PHE 4 2HB PHE 4 6.367 2.044 -3.000
14 HD1 PHE 4 2HD PHE 4 6.355 1.021 -5.582
15 HD2 PHE 4 1HD PHE 4 3.324 3.350 -3.709
16 HE1 PHE 4 2HE PHE 4 5.580 1.783 -7.790
17 HE2 PHE 4 1HE PHE 4 2.544 4.115 -5.913
18 HZ PHE 4 HZ PHE 4 3.673 3.333 -7.957
19 H GLY 5 H GLY 5 6.514 -2.099 -2.687
20 HA2 GLY 5 2HA GLY 5 7.913 -3.059 -1.137
21 HA3 GLY 5 3HA GLY 5 8.697 -1.485 -1.098
22 H ALA 6 H ALA 6 8.586 -0.316 0.720
23 HA ALA 6 HA ALA 6 7.581 -1.442 3.094
24 HB1 ALA 6 1HB ALA 6 9.071 0.893 2.332
25 HB2 ALA 6 2HB ALA 6 7.854 1.309 3.540
26 HB3 ALA 6 3HB ALA 6 9.034 0.042 3.878
27 H PHE 7 H PHE 7 6.025 0.295 0.623
28 HA PHE 7 HA PHE 7 3.771 0.958 2.394
29 HB3 PHE 7 2HB PHE 7 3.046 2.417 0.433
30 HD1 PHE 7 1HD PHE 7 3.161 3.181 3.002
31 HD2 PHE 7 2HD PHE 7 6.246 3.689 0.116
32 HE1 PHE 7 1HE PHE 7 4.089 5.036 4.328
33 HE2 PHE 7 2HE PHE 7 7.182 5.545 1.435
34 HZ PHE 7 HZ PHE 7 6.104 6.218 3.544
35 H CYS 8 H CYS 8 4.237 -1.699 1.471
36 HA CYS 8 HA CYS 8 2.283 -2.127 -0.652
37 HB3 CYS 8 2HB CYS 8 3.679 -4.347 0.798
38 H PHE 9 H PHE 9 1.771 -1.302 2.278
39 HA PHE 9 HA PHE 9 -0.360 -3.275 2.734
40 HB3 PHE 9 2HB PHE 9 -0.013 -3.124 5.139
41 HD1 PHE 9 1HD PHE 9 0.348 -5.396 3.794
42 HD2 PHE 9 2HD PHE 9 3.436 -2.734 5.013
43 HE1 PHE 9 1HE PHE 9 1.976 -7.237 3.676
44 HE2 PHE 9 2HE PHE 9 5.070 -4.568 4.896
45 HZ PHE 9 HZ PHE 9 4.341 -6.823 4.227
46 H ARG 10 H ARG 10 -1.330 -1.425 1.375
47 HA ARG 10 HA ARG 10 -2.652 0.399 3.245
48 HB3 ARG 10 2HB ARG 10 -2.495 2.119 1.267
49 HG3 ARG 10 2HG ARG 10 -0.732 1.614 3.514
50 HD3 ARG 10 2HD ARG 10 0.843 1.762 1.475
51 HE ARG 10 HE ARG 10 0.380 3.637 0.237
52 HH11 ARG 10 1HH1 ARG 10 0.466 4.469 3.615
53 HH12 ARG 10 2HH1 ARG 10 0.395 6.177 3.331
54 HH21 ARG 10 1HH2 ARG 10 0.287 5.884 -0.151
55 HH22 ARG 10 2HH2 ARG 10 0.293 6.980 1.188
56 H ARG 11 H ARG 11 -4.641 1.346 2.343
57 HA ARG 11 HA ARG 11 -6.038 -0.640 0.736
58 HB3 ARG 11 2HB ARG 11 -8.070 0.653 1.372
59 HG3 ARG 11 2HG ARG 11 -7.014 0.467 4.031
60 HD3 ARG 11 2HD ARG 11 -9.314 -0.170 2.726
61 HE ARG 11 HE ARG 11 -9.110 -2.326 2.014
62 HH11 ARG 11 1HH1 ARG 11 -7.392 -1.981 5.022
63 HH12 ARG 11 2HH1 ARG 11 -7.025 -3.669 5.157
64 HH21 ARG 11 1HH2 ARG 11 -8.634 -4.550 2.179
65 HH22 ARG 11 2HH2 ARG 11 -7.731 -5.130 3.539
66 H ASP 12 H ASP 12 -4.690 0.082 -1.156
67 HA ASP 12 HA ASP 12 -6.211 2.061 -2.669
68 HB3 ASP 12 2HB ASP 12 -4.550 3.555 -2.156
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -4.411 -0.815 -3.001
2 HA2 GLY 1 2HA GLY 1 -3.251 -1.851 -4.694
3 HA3 GLY 1 3HA GLY 1 -4.079 -0.698 -5.731
4 H SER 2 H SER 2 -2.360 1.145 -3.659
5 HA SER 2 HA SER 2 -0.263 1.567 -5.636
6 HB3 SER 2 2HB SER 2 0.270 3.518 -3.977
7 HG SER 2 HG SER 2 -0.628 4.238 -5.775
8 H CYS 3 H CYS 3 0.087 -0.832 -4.389
9 HA CYS 3 HA CYS 3 1.681 -0.776 -2.069
10 HB3 CYS 3 2HB CYS 3 1.255 -2.779 -4.263
11 H PHE 4 H PHE 4 3.803 -0.451 -1.740
12 HA PHE 4 HA PHE 4 5.672 -0.501 -3.963
13 HB3 PHE 4 2HB PHE 4 6.553 1.794 -3.246
14 HD1 PHE 4 2HD PHE 4 6.120 0.785 -5.767
15 HD2 PHE 4 1HD PHE 4 3.501 3.286 -3.531
16 HE1 PHE 4 2HE PHE 4 5.086 1.568 -7.858
17 HE2 PHE 4 1HE PHE 4 2.462 4.072 -5.618
18 HZ PHE 4 HZ PHE 4 3.256 3.214 -7.785
19 H GLY 5 H GLY 5 6.401 -2.323 -2.683
20 HA2 GLY 5 2HA GLY 5 7.774 -3.335 -1.144
21 HA3 GLY 5 3HA GLY 5 8.668 -1.823 -1.177
22 H ALA 6 H ALA 6 8.698 -0.594 0.603
23 HA ALA 6 HA ALA 6 7.688 -1.572 3.041
24 HB1 ALA 6 1HB ALA 6 8.431 0.563 3.991
25 HB2 ALA 6 2HB ALA 6 9.654 -0.146 2.936
26 HB3 ALA 6 3HB ALA 6 8.668 1.199 2.361
27 H PHE 7 H PHE 7 6.186 0.197 0.559
28 HA PHE 7 HA PHE 7 4.040 1.074 2.372
29 HB3 PHE 7 2HB PHE 7 3.370 2.466 0.284
30 HD1 PHE 7 2HD PHE 7 6.819 2.482 1.720
31 HD2 PHE 7 1HD PHE 7 3.100 4.504 1.278
32 HE1 PHE 7 2HE PHE 7 7.686 4.359 3.052
33 HE2 PHE 7 1HE PHE 7 3.959 6.384 2.611
34 HZ PHE 7 HZ PHE 7 6.255 6.313 3.500
35 H CYS 8 H CYS 8 4.285 -1.635 1.519
36 HA CYS 8 HA CYS 8 2.244 -1.983 -0.534
37 HB3 CYS 8 2HB CYS 8 3.519 -4.255 0.947
38 H PHE 9 H PHE 9 1.880 -1.037 2.381
39 HA PHE 9 HA PHE 9 -0.261 -2.948 3.057
40 HB3 PHE 9 2HB PHE 9 0.055 -2.123 5.434
41 HD1 PHE 9 1HD PHE 9 3.333 -2.775 3.830
42 HD2 PHE 9 2HD PHE 9 0.071 -4.368 6.054
43 HE1 PHE 9 1HE PHE 9 4.593 -4.862 4.176
44 HE2 PHE 9 2HE PHE 9 1.324 -6.456 6.404
45 HZ PHE 9 HZ PHE 9 3.588 -6.705 5.466
46 H ARG 10 H ARG 10 -1.334 -1.411 1.430
47 HA ARG 10 HA ARG 10 -2.785 0.595 2.977
48 HB3 ARG 10 2HB ARG 10 -2.602 2.242 1.134
49 HG3 ARG 10 2HG ARG 10 0.235 1.656 1.736
50 HD3 ARG 10 2HD ARG 10 -0.526 3.776 0.707
51 HE ARG 10 HE ARG 10 -2.421 3.829 2.793
52 HH11 ARG 10 1HH1 ARG 10 -0.264 5.918 1.032
53 HH12 ARG 10 2HH1 ARG 10 -1.236 7.334 1.266
54 HH21 ARG 10 1HH2 ARG 10 -3.708 5.686 3.108
55 HH22 ARG 10 2HH2 ARG 10 -3.194 7.201 2.448
56 H ARG 11 H ARG 11 -4.888 0.954 2.283
57 HA ARG 11 HA ARG 11 -5.979 -1.138 0.599
58 HB3 ARG 11 2HB ARG 11 -8.168 -0.243 1.313
59 HG3 ARG 11 2HG ARG 11 -6.140 -1.182 3.176
60 HD3 ARG 11 2HD ARG 11 -7.027 0.906 4.312
61 HE ARG 11 HE ARG 11 -9.546 -0.315 3.814
62 HH11 ARG 11 1HH1 ARG 11 -7.774 1.535 6.173
63 HH12 ARG 11 2HH1 ARG 11 -9.190 2.254 6.865
64 HH21 ARG 11 1HH2 ARG 11 -11.418 0.625 4.718
65 HH22 ARG 11 2HH2 ARG 11 -11.262 1.736 6.037
66 H ASP 12 H ASP 12 -4.567 0.138 -1.130
67 HA ASP 12 HA ASP 12 -6.473 1.822 -2.608
68 HB3 ASP 12 2HB ASP 12 -4.991 3.488 -2.070
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -4.431 -0.775 -2.862
2 HA2 GLY 1 2HA GLY 1 -3.283 -1.979 -4.458
3 HA3 GLY 1 3HA GLY 1 -4.141 -0.929 -5.574
4 H SER 2 H SER 2 -2.314 1.068 -3.727
5 HA SER 2 HA SER 2 -0.306 1.301 -5.823
6 HB3 SER 2 2HB SER 2 0.325 3.369 -4.348
7 HG SER 2 HG SER 2 -1.067 3.176 -6.385
8 H CYS 3 H CYS 3 0.073 -0.997 -4.407
9 HA CYS 3 HA CYS 3 1.683 -0.895 -2.145
10 HB3 CYS 3 2HB CYS 3 1.424 -2.867 -4.395
11 H PHE 4 H PHE 4 3.775 -0.455 -1.759
12 HA PHE 4 HA PHE 4 5.691 -0.344 -3.938
13 HB3 PHE 4 2HB PHE 4 6.376 2.007 -2.909
14 HD1 PHE 4 2HD PHE 4 6.709 1.042 -5.457
15 HD2 PHE 4 1HD PHE 4 3.379 3.237 -3.975
16 HE1 PHE 4 2HE PHE 4 6.191 1.789 -7.743
17 HE2 PHE 4 1HE PHE 4 2.853 3.988 -6.259
18 HZ PHE 4 HZ PHE 4 4.261 3.266 -8.145
19 H GLY 5 H GLY 5 6.496 -2.149 -2.684
20 HA2 GLY 5 2HA GLY 5 7.891 -3.116 -1.135
21 HA3 GLY 5 3HA GLY 5 8.698 -1.555 -1.114
22 H ALA 6 H ALA 6 8.616 -0.366 0.694
23 HA ALA 6 HA ALA 6 7.612 -1.458 3.084
24 HB1 ALA 6 1HB ALA 6 8.886 1.083 2.278
25 HB2 ALA 6 2HB ALA 6 7.961 1.103 3.782
26 HB3 ALA 6 3HB ALA 6 9.296 -0.032 3.582
27 H PHE 7 H PHE 7 6.061 0.277 0.608
28 HA PHE 7 HA PHE 7 3.829 0.984 2.390
29 HB3 PHE 7 2HB PHE 7 3.130 2.373 0.298
30 HD1 PHE 7 1HD PHE 7 2.620 3.588 2.396
31 HD2 PHE 7 2HD PHE 7 6.564 3.367 0.810
32 HE1 PHE 7 1HE PHE 7 3.290 5.488 3.807
33 HE2 PHE 7 2HE PHE 7 7.241 5.267 2.220
34 HZ PHE 7 HZ PHE 7 5.603 6.330 3.721
35 H CYS 8 H CYS 8 4.253 -1.685 1.482
36 HA CYS 8 HA CYS 8 2.282 -2.102 -0.627
37 HB3 CYS 8 2HB CYS 8 3.653 -4.330 0.835
38 H PHE 9 H PHE 9 1.797 -1.246 2.299
39 HA PHE 9 HA PHE 9 -0.329 -3.219 2.807
40 HB3 PHE 9 2HB PHE 9 -0.005 -2.760 5.251
41 HD1 PHE 9 1HD PHE 9 3.373 -3.014 3.789
42 HD2 PHE 9 2HD PHE 9 0.025 -5.116 5.370
43 HE1 PHE 9 1HE PHE 9 4.704 -5.083 3.848
44 HE2 PHE 9 2HE PHE 9 1.352 -7.188 5.431
45 HZ PHE 9 HZ PHE 9 3.694 -7.174 4.671
46 H ARG 10 H ARG 10 -1.295 -1.424 1.348
47 HA ARG 10 HA ARG 10 -2.621 0.493 3.133
48 HB3 ARG 10 2HB ARG 10 -2.532 2.195 1.322
49 HG3 ARG 10 2HG ARG 10 0.325 1.598 1.640
50 HD3 ARG 10 2HD ARG 10 -1.139 3.820 1.160
51 HE ARG 10 HE ARG 10 -1.446 3.574 3.895
52 HH11 ARG 10 1HH1 ARG 10 -0.107 5.891 1.670
53 HH12 ARG 10 2HH1 ARG 10 -0.443 7.255 2.685
54 HH21 ARG 10 1HH2 ARG 10 -1.893 5.359 5.240
55 HH22 ARG 10 2HH2 ARG 10 -1.458 6.951 4.716
56 H ARG 11 H ARG 11 -4.632 1.399 2.136
57 HA ARG 11 HA ARG 11 -6.051 -0.756 0.755
58 HB3 ARG 11 2HB ARG 11 -8.098 0.518 1.434
59 HG3 ARG 11 2HG ARG 11 -7.073 0.393 4.061
60 HD3 ARG 11 2HD ARG 11 -8.263 -1.973 3.764
61 HE ARG 11 HE ARG 11 -10.232 0.086 3.608
62 HH11 ARG 11 1HH1 ARG 11 -7.693 -1.225 5.599
63 HH12 ARG 11 2HH1 ARG 11 -8.373 -0.636 7.078
64 HH21 ARG 11 1HH2 ARG 11 -11.136 0.866 5.551
65 HH22 ARG 11 2HH2 ARG 11 -10.331 0.553 7.051
66 H ASP 12 H ASP 12 -4.521 0.282 -1.063
67 HA ASP 12 HA ASP 12 -6.298 2.022 -2.637
68 HB3 ASP 12 2HB ASP 12 -4.696 3.604 -2.196
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -4.406 -0.773 -2.920
2 HA2 GLY 1 2HA GLY 1 -3.272 -1.878 -4.588
3 HA3 GLY 1 3HA GLY 1 -4.107 -0.759 -5.656
4 H SER 2 H SER 2 -2.338 1.134 -3.664
5 HA SER 2 HA SER 2 -0.274 1.482 -5.689
6 HB3 SER 2 2HB SER 2 0.305 3.475 -4.094
7 HG SER 2 HG SER 2 -0.823 4.586 -5.479
8 H CYS 3 H CYS 3 0.077 -0.884 -4.381
9 HA CYS 3 HA CYS 3 1.684 -0.814 -2.084
10 HB3 CYS 3 2HB CYS 3 1.298 -2.811 -4.291
11 H PHE 4 H PHE 4 3.798 -0.459 -1.742
12 HA PHE 4 HA PHE 4 5.679 -0.470 -3.955
13 HB3 PHE 4 2HB PHE 4 6.473 1.873 -2.947
14 HD1 PHE 4 2HD PHE 4 6.729 0.740 -5.485
15 HD2 PHE 4 1HD PHE 4 3.632 3.299 -4.079
16 HE1 PHE 4 2HE PHE 4 6.282 1.464 -7.794
17 HE2 PHE 4 1HE PHE 4 3.180 4.024 -6.386
18 HZ PHE 4 HZ PHE 4 4.506 3.108 -8.247
19 H GLY 5 H GLY 5 6.425 -2.286 -2.677
20 HA2 GLY 5 2HA GLY 5 7.802 -3.284 -1.135
21 HA3 GLY 5 3HA GLY 5 8.680 -1.761 -1.159
22 H ALA 6 H ALA 6 8.678 -0.530 0.623
23 HA ALA 6 HA ALA 6 7.675 -1.530 3.053
24 HB1 ALA 6 1HB ALA 6 8.808 0.164 4.037
25 HB2 ALA 6 2HB ALA 6 9.560 0.266 2.444
26 HB3 ALA 6 3HB ALA 6 8.248 1.365 2.874
27 H PHE 7 H PHE 7 6.154 0.219 0.568
28 HA PHE 7 HA PHE 7 3.986 1.056 2.375
29 HB3 PHE 7 2HB PHE 7 3.313 2.620 0.598
30 HD1 PHE 7 1HD PHE 7 3.950 3.638 2.874
31 HD2 PHE 7 2HD PHE 7 6.706 3.070 -0.317
32 HE1 PHE 7 1HE PHE 7 5.442 5.321 3.871
33 HE2 PHE 7 2HE PHE 7 8.205 4.751 0.674
34 HZ PHE 7 HZ PHE 7 7.575 5.879 2.770
35 H CYS 8 H CYS 8 4.281 -1.646 1.512
36 HA CYS 8 HA CYS 8 2.257 -2.015 -0.556
37 HB3 CYS 8 2HB CYS 8 3.556 -4.273 0.925
38 H PHE 9 H PHE 9 1.860 -1.086 2.362
39 HA PHE 9 HA PHE 9 -0.267 -3.022 3.004
40 HB3 PHE 9 2HB PHE 9 0.039 -2.214 5.398
41 HD1 PHE 9 2HD PHE 9 3.356 -2.873 3.909
42 HD2 PHE 9 1HD PHE 9 -0.040 -4.508 5.888
43 HE1 PHE 9 2HE PHE 9 4.571 -4.987 4.242
44 HE2 PHE 9 1HE PHE 9 1.172 -6.623 6.224
45 HZ PHE 9 HZ PHE 9 3.479 -6.865 5.400
46 H ARG 10 H ARG 10 -1.283 -1.410 1.371
47 HA ARG 10 HA ARG 10 -2.713 0.597 2.957
48 HB3 ARG 10 2HB ARG 10 -2.636 2.092 0.885
49 HG3 ARG 10 2HG ARG 10 0.082 1.691 2.090
50 HD3 ARG 10 2HD ARG 10 -1.473 4.037 1.029
51 HE ARG 10 HE ARG 10 0.168 4.288 3.182
52 HH11 ARG 10 1HH1 ARG 10 0.335 5.324 -0.137
53 HH12 ARG 10 2HH1 ARG 10 1.272 6.739 0.214
54 HH21 ARG 10 1HH2 ARG 10 1.401 6.146 3.659
55 HH22 ARG 10 2HH2 ARG 10 1.878 7.206 2.375
56 H ARG 11 H ARG 11 -4.804 1.133 2.152
57 HA ARG 11 HA ARG 11 -6.014 -1.063 0.666
58 HB3 ARG 11 2HB ARG 11 -8.140 -0.180 1.437
59 HG3 ARG 11 2HG ARG 11 -6.198 -1.151 3.156
60 HD3 ARG 11 2HD ARG 11 -7.396 1.400 4.169
61 HE ARG 11 HE ARG 11 -7.148 -0.981 5.729
62 HH11 ARG 11 1HH1 ARG 11 -6.791 2.482 5.800
63 HH12 ARG 11 2HH1 ARG 11 -7.048 2.604 7.509
64 HH21 ARG 11 1HH2 ARG 11 -7.488 -0.833 7.979
65 HH22 ARG 11 2HH2 ARG 11 -7.444 0.718 8.748
66 H ASP 12 H ASP 12 -4.488 0.329 -1.037
67 HA ASP 12 HA ASP 12 -6.435 1.899 -2.596
68 HB3 ASP 12 2HB ASP 12 -4.928 3.563 -2.131
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -4.417 -0.773 -2.905
2 HA2 GLY 1 2HA GLY 1 -3.270 -1.915 -4.541
3 HA3 GLY 1 3HA GLY 1 -4.113 -0.827 -5.632
4 H SER 2 H SER 2 -2.328 1.107 -3.682
5 HA SER 2 HA SER 2 -0.283 1.423 -5.732
6 HB3 SER 2 2HB SER 2 0.310 3.440 -4.172
7 HG SER 2 HG SER 2 -0.806 3.566 -6.216
8 H CYS 3 H CYS 3 0.079 -0.922 -4.390
9 HA CYS 3 HA CYS 3 1.688 -0.842 -2.104
10 HB3 CYS 3 2HB CYS 3 1.344 -2.829 -4.327
11 H PHE 4 H PHE 4 3.796 -0.456 -1.750
12 HA PHE 4 HA PHE 4 5.688 -0.426 -3.952
13 HB3 PHE 4 2HB PHE 4 6.484 1.899 -3.107
14 HD1 PHE 4 2HD PHE 4 6.234 0.750 -5.664
15 HD2 PHE 4 1HD PHE 4 3.548 3.408 -3.705
16 HE1 PHE 4 2HE PHE 4 5.394 1.506 -7.848
17 HE2 PHE 4 1HE PHE 4 2.703 4.169 -5.888
18 HZ PHE 4 HZ PHE 4 3.627 3.219 -7.964
19 H GLY 5 H GLY 5 6.459 -2.238 -2.684
20 HA2 GLY 5 2HA GLY 5 7.843 -3.224 -1.142
21 HA3 GLY 5 3HA GLY 5 8.694 -1.686 -1.150
22 H ALA 6 H ALA 6 8.667 -0.477 0.645
23 HA ALA 6 HA ALA 6 7.661 -1.511 3.060
24 HB1 ALA 6 1HB ALA 6 9.075 -0.020 3.892
25 HB2 ALA 6 2HB ALA 6 9.334 0.620 2.269
26 HB3 ALA 6 3HB ALA 6 8.072 1.301 3.295
27 H PHE 7 H PHE 7 6.132 0.239 0.582
28 HA PHE 7 HA PHE 7 3.942 1.031 2.381
29 HB3 PHE 7 2HB PHE 7 3.296 2.670 0.739
30 HD1 PHE 7 1HD PHE 7 4.594 3.170 3.125
31 HD2 PHE 7 2HD PHE 7 6.242 3.387 -0.793
32 HE1 PHE 7 1HE PHE 7 6.296 4.751 3.933
33 HE2 PHE 7 2HE PHE 7 7.947 4.969 0.008
34 HZ PHE 7 HZ PHE 7 7.977 5.652 2.374
35 H CYS 8 H CYS 8 4.278 -1.659 1.500
36 HA CYS 8 HA CYS 8 2.272 -2.043 -0.580
37 HB3 CYS 8 2HB CYS 8 3.596 -4.293 0.893
38 H PHE 9 H PHE 9 1.845 -1.141 2.339
39 HA PHE 9 HA PHE 9 -0.286 -3.087 2.933
40 HB3 PHE 9 2HB PHE 9 0.027 -2.487 5.343
41 HD1 PHE 9 2HD PHE 9 0.072 -4.983 4.360
42 HD2 PHE 9 1HD PHE 9 3.480 -2.557 5.141
43 HE1 PHE 9 2HE PHE 9 1.463 -7.004 4.540
44 HE2 PHE 9 1HE PHE 9 4.878 -4.574 5.321
45 HZ PHE 9 HZ PHE 9 3.869 -6.800 5.023
46 H ARG 10 H ARG 10 -1.342 -1.455 1.395
47 HA ARG 10 HA ARG 10 -2.707 0.542 3.047
48 HB3 ARG 10 2HB ARG 10 -2.646 1.957 0.806
49 HG3 ARG 10 2HG ARG 10 -0.442 2.992 1.574
50 HD3 ARG 10 2HD ARG 10 -2.093 2.955 3.977
51 HE ARG 10 HE ARG 10 -2.098 5.313 2.370
52 HH11 ARG 10 1HH1 ARG 10 -0.130 3.349 4.468
53 HH12 ARG 10 2HH1 ARG 10 0.899 4.659 4.943
54 HH21 ARG 10 1HH2 ARG 10 -0.750 7.044 2.990
55 HH22 ARG 10 2HH2 ARG 10 0.545 6.761 4.103
56 H ARG 11 H ARG 11 -4.761 1.256 2.122
57 HA ARG 11 HA ARG 11 -6.052 -0.938 0.690
58 HB3 ARG 11 2HB ARG 11 -8.165 0.319 1.352
59 HG3 ARG 11 2HG ARG 11 -6.638 -1.432 2.843
60 HD3 ARG 11 2HD ARG 11 -6.005 0.683 4.162
61 HE ARG 11 HE ARG 11 -7.843 1.836 4.874
62 HH11 ARG 11 1HH1 ARG 11 -8.421 -1.571 5.288
63 HH12 ARG 11 2HH1 ARG 11 -9.916 -1.350 6.135
64 HH21 ARG 11 1HH2 ARG 11 -9.810 2.144 5.988
65 HH22 ARG 11 2HH2 ARG 11 -10.705 0.766 6.531
66 H ASP 12 H ASP 12 -4.518 0.301 -1.061
67 HA ASP 12 HA ASP 12 -6.395 1.942 -2.629
68 HB3 ASP 12 2HB ASP 12 -4.855 3.580 -2.166
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -4.404 -0.722 -2.863
2 HA2 GLY 1 2HA GLY 1 -3.292 -1.874 -4.515
3 HA3 GLY 1 3HA GLY 1 -4.129 -0.774 -5.601
4 H SER 2 H SER 2 -2.323 1.145 -3.663
5 HA SER 2 HA SER 2 -0.278 1.436 -5.716
6 HB3 SER 2 2HB SER 2 0.335 3.455 -4.168
7 HG SER 2 HG SER 2 -1.947 3.171 -5.790
8 H CYS 3 H CYS 3 0.068 -0.907 -4.369
9 HA CYS 3 HA CYS 3 1.685 -0.826 -2.086
10 HB3 CYS 3 2HB CYS 3 1.306 -2.829 -4.289
11 H PHE 4 H PHE 4 3.800 -0.462 -1.745
12 HA PHE 4 HA PHE 4 5.679 -0.475 -3.958
13 HB3 PHE 4 2HB PHE 4 6.496 1.857 -3.066
14 HD1 PHE 4 1HD PHE 4 6.579 0.879 -5.608
15 HD2 PHE 4 2HD PHE 4 3.437 3.171 -3.881
16 HE1 PHE 4 1HE PHE 4 5.886 1.612 -7.853
17 HE2 PHE 4 2HE PHE 4 2.738 3.908 -6.122
18 HZ PHE 4 HZ PHE 4 3.963 3.128 -8.111
19 H GLY 5 H GLY 5 6.430 -2.286 -2.675
20 HA2 GLY 5 2HA GLY 5 7.810 -3.275 -1.128
21 HA3 GLY 5 3HA GLY 5 8.683 -1.751 -1.158
22 H ALA 6 H ALA 6 8.679 -0.513 0.619
23 HA ALA 6 HA ALA 6 7.680 -1.509 3.054
24 HB1 ALA 6 1HB ALA 6 9.155 -0.047 3.823
25 HB2 ALA 6 2HB ALA 6 9.336 0.637 2.207
26 HB3 ALA 6 3HB ALA 6 8.114 1.282 3.304
27 H PHE 7 H PHE 7 6.151 0.227 0.563
28 HA PHE 7 HA PHE 7 3.980 1.062 2.367
29 HB3 PHE 7 2HB PHE 7 3.286 2.554 0.470
30 HD1 PHE 7 2HD PHE 7 6.985 2.501 0.799
31 HD2 PHE 7 1HD PHE 7 3.324 4.346 1.943
32 HE1 PHE 7 2HE PHE 7 8.244 4.279 1.944
33 HE2 PHE 7 1HE PHE 7 4.576 6.128 3.089
34 HZ PHE 7 HZ PHE 7 7.039 6.094 3.091
35 H CYS 8 H CYS 8 4.283 -1.640 1.511
36 HA CYS 8 HA CYS 8 2.260 -2.021 -0.555
37 HB3 CYS 8 2HB CYS 8 3.570 -4.270 0.931
38 H PHE 9 H PHE 9 1.861 -1.086 2.360
39 HA PHE 9 HA PHE 9 -0.257 -3.031 3.011
40 HB3 PHE 9 2HB PHE 9 0.052 -2.495 5.369
41 HD1 PHE 9 1HD PHE 9 0.639 -4.868 4.028
42 HD2 PHE 9 2HD PHE 9 3.387 -1.997 5.551
43 HE1 PHE 9 1HE PHE 9 2.365 -6.613 4.197
44 HE2 PHE 9 2HE PHE 9 5.118 -3.736 5.723
45 HZ PHE 9 HZ PHE 9 4.607 -6.048 5.044
46 H ARG 10 H ARG 10 -1.295 -1.448 1.376
47 HA ARG 10 HA ARG 10 -2.713 0.583 2.946
48 HB3 ARG 10 2HB ARG 10 -2.685 2.029 0.843
49 HG3 ARG 10 2HG ARG 10 -0.257 2.765 1.200
50 HD3 ARG 10 2HD ARG 10 -0.863 3.426 3.660
51 HE ARG 10 HE ARG 10 -2.849 4.601 1.990
52 HH11 ARG 10 1HH1 ARG 10 0.587 4.340 2.485
53 HH12 ARG 10 2HH1 ARG 10 0.942 5.863 1.740
54 HH21 ARG 10 1HH2 ARG 10 -2.394 6.609 1.006
55 HH22 ARG 10 2HH2 ARG 10 -0.755 7.152 0.900
56 H ARG 11 H ARG 11 -4.790 1.201 2.020
57 HA ARG 11 HA ARG 11 -6.038 -1.076 0.675
58 HB3 ARG 11 2HB ARG 11 -8.174 0.056 1.351
59 HG3 ARG 11 2HG ARG 11 -7.807 -0.177 3.867
60 HD3 ARG 11 2HD ARG 11 -8.292 -2.013 1.924
61 HE ARG 11 HE ARG 11 -5.683 -2.629 2.684
62 HH11 ARG 11 1HH1 ARG 11 -8.793 -4.180 2.470
63 HH12 ARG 11 2HH1 ARG 11 -8.134 -5.757 2.187
64 HH21 ARG 11 1HH2 ARG 11 -4.802 -4.700 2.313
65 HH22 ARG 11 2HH2 ARG 11 -5.862 -6.052 2.101
66 H ASP 12 H ASP 12 -4.419 0.545 -0.938
67 HA ASP 12 HA ASP 12 -6.401 1.979 -2.581
68 HB3 ASP 12 2HB ASP 12 -4.868 3.634 -2.158
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -4.407 -0.808 -2.959
2 HA2 GLY 1 2HA GLY 1 -3.214 -1.931 -4.574
3 HA3 GLY 1 3HA GLY 1 -4.068 -0.874 -5.688
4 H SER 2 H SER 2 -2.328 1.069 -3.672
5 HA SER 2 HA SER 2 -0.294 1.480 -5.715
6 HB3 SER 2 2HB SER 2 -0.230 3.199 -3.323
7 HG SER 2 HG SER 2 -0.759 4.090 -5.917
8 H CYS 3 H CYS 3 0.022 -0.904 -4.318
9 HA CYS 3 HA CYS 3 1.673 -0.841 -2.080
10 HB3 CYS 3 2HB CYS 3 1.324 -2.805 -4.321
11 H PHE 4 H PHE 4 3.781 -0.449 -1.734
12 HA PHE 4 HA PHE 4 5.660 -0.388 -3.947
13 HB3 PHE 4 2HB PHE 4 6.424 1.947 -2.951
14 HD1 PHE 4 2HD PHE 4 6.787 1.170 -5.475
15 HD2 PHE 4 1HD PHE 4 3.285 3.050 -3.954
16 HE1 PHE 4 2HE PHE 4 6.213 1.926 -7.744
17 HE2 PHE 4 1HE PHE 4 2.704 3.809 -6.222
18 HZ PHE 4 HZ PHE 4 4.170 3.248 -8.119
19 H GLY 5 H GLY 5 6.439 -2.211 -2.699
20 HA2 GLY 5 2HA GLY 5 7.837 -3.207 -1.172
21 HA3 GLY 5 3HA GLY 5 8.685 -1.666 -1.174
22 H ALA 6 H ALA 6 8.663 -0.464 0.627
23 HA ALA 6 HA ALA 6 7.681 -1.520 3.042
24 HB1 ALA 6 1HB ALA 6 9.465 0.437 2.359
25 HB2 ALA 6 2HB ALA 6 8.137 1.366 3.057
26 HB3 ALA 6 3HB ALA 6 8.909 0.087 3.996
27 H PHE 7 H PHE 7 6.125 0.237 0.586
28 HA PHE 7 HA PHE 7 3.942 1.004 2.408
29 HB3 PHE 7 2HB PHE 7 3.244 2.598 0.681
30 HD1 PHE 7 1HD PHE 7 3.991 3.492 3.016
31 HD2 PHE 7 2HD PHE 7 6.551 3.173 -0.368
32 HE1 PHE 7 1HE PHE 7 5.499 5.167 4.004
33 HE2 PHE 7 2HE PHE 7 8.065 4.844 0.613
34 HZ PHE 7 HZ PHE 7 7.540 5.845 2.803
35 H CYS 8 H CYS 8 4.286 -1.676 1.496
36 HA CYS 8 HA CYS 8 2.271 -2.050 -0.576
37 HB3 CYS 8 2HB CYS 8 3.615 -4.305 0.868
38 H PHE 9 H PHE 9 1.855 -1.176 2.356
39 HA PHE 9 HA PHE 9 -0.272 -3.130 2.935
40 HB3 PHE 9 2HB PHE 9 0.084 -2.829 5.300
41 HD1 PHE 9 1HD PHE 9 0.653 -5.171 4.441
42 HD2 PHE 9 2HD PHE 9 3.521 -2.051 4.840
43 HE1 PHE 9 1HE PHE 9 2.462 -6.840 4.453
44 HE2 PHE 9 2HE PHE 9 5.333 -3.714 4.851
45 HZ PHE 9 HZ PHE 9 4.806 -6.113 4.656
46 H ARG 10 H ARG 10 -1.329 -1.462 1.433
47 HA ARG 10 HA ARG 10 -2.652 0.527 3.132
48 HB3 ARG 10 2HB ARG 10 -2.597 2.159 1.265
49 HG3 ARG 10 2HG ARG 10 0.236 1.881 1.364
50 HD3 ARG 10 2HD ARG 10 -1.874 3.694 2.340
51 HE ARG 10 HE ARG 10 0.629 4.446 3.476
52 HH11 ARG 10 1HH1 ARG 10 -2.241 2.557 4.027
53 HH12 ARG 10 2HH1 ARG 10 -2.122 2.640 5.755
54 HH21 ARG 10 1HH2 ARG 10 0.798 4.563 5.748
55 HH22 ARG 10 2HH2 ARG 10 -0.394 3.782 6.733
56 H ARG 11 H ARG 11 -4.644 1.422 1.985
57 HA ARG 11 HA ARG 11 -6.027 -0.823 0.692
58 HB3 ARG 11 2HB ARG 11 -8.091 0.614 1.353
59 HG3 ARG 11 2HG ARG 11 -6.869 -0.238 3.872
60 HD3 ARG 11 2HD ARG 11 -8.923 -1.796 3.686
61 HE ARG 11 HE ARG 11 -8.782 0.841 4.534
62 HH11 ARG 11 1HH1 ARG 11 -11.194 -1.371 3.347
63 HH12 ARG 11 2HH1 ARG 11 -12.493 -0.630 4.223
64 HH21 ARG 11 1HH2 ARG 11 -10.482 1.825 5.693
65 HH22 ARG 11 2HH2 ARG 11 -12.086 1.189 5.556
66 H ASP 12 H ASP 12 -4.651 0.147 -1.198
67 HA ASP 12 HA ASP 12 -6.487 1.837 -2.737
68 HB3 ASP 12 2HB ASP 12 -5.014 3.535 -2.286
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -4.408 -0.803 -2.960
2 HA2 GLY 1 2HA GLY 1 -3.212 -1.929 -4.569
3 HA3 GLY 1 3HA GLY 1 -4.065 -0.874 -5.687
4 H SER 2 H SER 2 -2.324 1.070 -3.670
5 HA SER 2 HA SER 2 -0.291 1.481 -5.714
6 HB3 SER 2 2HB SER 2 -0.225 3.198 -3.322
7 HG SER 2 HG SER 2 -0.193 4.783 -4.961
8 H CYS 3 H CYS 3 0.025 -0.903 -4.315
9 HA CYS 3 HA CYS 3 1.677 -0.840 -2.079
10 HB3 CYS 3 2HB CYS 3 1.324 -2.807 -4.319
11 H PHE 4 H PHE 4 3.785 -0.449 -1.735
12 HA PHE 4 HA PHE 4 5.663 -0.393 -3.951
13 HB3 PHE 4 2HB PHE 4 6.461 1.919 -3.158
14 HD1 PHE 4 2HD PHE 4 5.980 0.763 -5.698
15 HD2 PHE 4 1HD PHE 4 3.533 3.485 -3.523
16 HE1 PHE 4 2HE PHE 4 4.982 1.548 -7.807
17 HE2 PHE 4 1HE PHE 4 2.531 4.273 -5.628
18 HZ PHE 4 HZ PHE 4 3.257 3.304 -7.773
19 H GLY 5 H GLY 5 6.441 -2.215 -2.699
20 HA2 GLY 5 2HA GLY 5 7.839 -3.211 -1.173
21 HA3 GLY 5 3HA GLY 5 8.690 -1.673 -1.178
22 H ALA 6 H ALA 6 8.667 -0.466 0.621
23 HA ALA 6 HA ALA 6 7.688 -1.518 3.039
24 HB1 ALA 6 1HB ALA 6 9.616 0.046 2.811
25 HB2 ALA 6 2HB ALA 6 8.461 1.347 2.519
26 HB3 ALA 6 3HB ALA 6 8.463 0.499 4.066
27 H PHE 7 H PHE 7 6.129 0.236 0.581
28 HA PHE 7 HA PHE 7 3.951 1.006 2.403
29 HB3 PHE 7 2HB PHE 7 3.239 2.560 0.603
30 HD1 PHE 7 2HD PHE 7 3.642 3.689 2.824
31 HD2 PHE 7 1HD PHE 7 6.723 3.054 -0.042
32 HE1 PHE 7 2HE PHE 7 5.008 5.420 3.917
33 HE2 PHE 7 1HE PHE 7 8.095 4.784 1.046
34 HZ PHE 7 HZ PHE 7 7.238 5.969 3.026
35 H CYS 8 H CYS 8 4.292 -1.674 1.496
36 HA CYS 8 HA CYS 8 2.275 -2.047 -0.576
37 HB3 CYS 8 2HB CYS 8 3.617 -4.303 0.870
38 H PHE 9 H PHE 9 1.861 -1.171 2.355
39 HA PHE 9 HA PHE 9 -0.268 -3.121 2.936
40 HB3 PHE 9 2HB PHE 9 0.083 -2.794 5.307
41 HD1 PHE 9 1HD PHE 9 0.605 -5.138 4.234
42 HD2 PHE 9 2HD PHE 9 3.514 -2.143 5.062
43 HE1 PHE 9 1HE PHE 9 2.364 -6.858 4.255
44 HE2 PHE 9 2HE PHE 9 5.278 -3.858 5.081
45 HZ PHE 9 HZ PHE 9 4.706 -6.218 4.676
46 H ARG 10 H ARG 10 -1.378 -1.498 1.466
47 HA ARG 10 HA ARG 10 -2.678 0.507 3.158
48 HB3 ARG 10 2HB ARG 10 -2.613 1.740 0.684
49 HG3 ARG 10 2HG ARG 10 -0.611 2.222 2.878
50 HD3 ARG 10 2HD ARG 10 -1.903 4.365 1.278
51 HE ARG 10 HE ARG 10 0.198 4.319 3.053
52 HH11 ARG 10 1HH1 ARG 10 -0.307 5.361 -0.231
53 HH12 ARG 10 2HH1 ARG 10 0.878 6.623 -0.151
54 HH21 ARG 10 1HH2 ARG 10 1.761 5.978 3.171
55 HH22 ARG 10 2HH2 ARG 10 2.054 6.972 1.784
56 H ARG 11 H ARG 11 -4.650 1.434 1.953
57 HA ARG 11 HA ARG 11 -6.044 -0.823 0.685
58 HB3 ARG 11 2HB ARG 11 -8.106 0.614 1.339
59 HG3 ARG 11 2HG ARG 11 -6.483 -0.578 3.576
60 HD3 ARG 11 2HD ARG 11 -9.137 -1.180 3.952
61 HE ARG 11 HE ARG 11 -7.252 0.165 5.404
62 HH11 ARG 11 1HH1 ARG 11 -10.656 0.569 4.793
63 HH12 ARG 11 2HH1 ARG 11 -10.977 1.306 6.328
64 HH21 ARG 11 1HH2 ARG 11 -7.663 1.134 7.428
65 HH22 ARG 11 2HH2 ARG 11 -9.274 1.628 7.827
66 H ASP 12 H ASP 12 -4.648 0.162 -1.198
67 HA ASP 12 HA ASP 12 -6.481 1.847 -2.744
68 HB3 ASP 12 2HB ASP 12 -5.006 3.542 -2.289
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -4.446 -0.834 -2.992
2 HA2 GLY 1 2HA GLY 1 -3.209 -1.952 -4.582
3 HA3 GLY 1 3HA GLY 1 -4.065 -0.897 -5.698
4 H SER 2 H SER 2 -2.329 1.052 -3.684
5 HA SER 2 HA SER 2 -0.297 1.467 -5.728
6 HB3 SER 2 2HB SER 2 -0.236 3.186 -3.339
7 HG SER 2 HG SER 2 0.526 4.427 -4.838
8 H CYS 3 H CYS 3 0.024 -0.917 -4.327
9 HA CYS 3 HA CYS 3 1.674 -0.849 -2.091
10 HB3 CYS 3 2HB CYS 3 1.337 -2.812 -4.337
11 H PHE 4 H PHE 4 3.778 -0.448 -1.740
12 HA PHE 4 HA PHE 4 5.661 -0.374 -3.949
13 HB3 PHE 4 2HB PHE 4 6.425 1.956 -3.002
14 HD1 PHE 4 1HD PHE 4 6.420 0.872 -5.578
15 HD2 PHE 4 2HD PHE 4 3.474 3.379 -3.801
16 HE1 PHE 4 1HE PHE 4 5.725 1.634 -7.812
17 HE2 PHE 4 2HE PHE 4 2.776 4.145 -6.031
18 HZ PHE 4 HZ PHE 4 3.901 3.273 -8.042
19 H GLY 5 H GLY 5 6.448 -2.195 -2.702
20 HA2 GLY 5 2HA GLY 5 7.847 -3.187 -1.173
21 HA3 GLY 5 3HA GLY 5 8.688 -1.642 -1.171
22 H ALA 6 H ALA 6 8.655 -0.444 0.634
23 HA ALA 6 HA ALA 6 7.671 -1.511 3.044
24 HB1 ALA 6 1HB ALA 6 8.066 1.325 3.248
25 HB2 ALA 6 2HB ALA 6 9.035 0.010 3.914
26 HB3 ALA 6 3HB ALA 6 9.353 0.599 2.283
27 H PHE 7 H PHE 7 6.114 0.244 0.586
28 HA PHE 7 HA PHE 7 3.923 0.997 2.404
29 HB3 PHE 7 2HB PHE 7 3.243 2.631 0.752
30 HD1 PHE 7 1HD PHE 7 4.740 2.817 3.238
31 HD2 PHE 7 2HD PHE 7 5.926 3.770 -0.736
32 HE1 PHE 7 1HE PHE 7 6.372 4.435 4.117
33 HE2 PHE 7 2HE PHE 7 7.561 5.389 0.136
34 HZ PHE 7 HZ PHE 7 7.786 5.721 2.566
35 H CYS 8 H CYS 8 4.283 -1.679 1.491
36 HA CYS 8 HA CYS 8 2.274 -2.058 -0.589
37 HB3 CYS 8 2HB CYS 8 3.626 -4.310 0.856
38 H PHE 9 H PHE 9 1.847 -1.193 2.344
39 HA PHE 9 HA PHE 9 -0.290 -3.142 2.900
40 HB3 PHE 9 2HB PHE 9 0.077 -2.907 5.264
41 HD1 PHE 9 2HD PHE 9 0.882 -4.946 3.362
42 HD2 PHE 9 1HD PHE 9 3.273 -2.411 5.808
43 HE1 PHE 9 2HE PHE 9 2.686 -6.620 3.328
44 HE2 PHE 9 1HE PHE 9 5.081 -4.081 5.776
45 HZ PHE 9 HZ PHE 9 4.788 -6.189 4.535
46 H ARG 10 H ARG 10 -1.406 -1.496 1.477
47 HA ARG 10 HA ARG 10 -2.732 0.442 3.210
48 HB3 ARG 10 2HB ARG 10 -2.589 1.975 1.014
49 HG3 ARG 10 2HG ARG 10 -1.099 1.890 3.499
50 HD3 ARG 10 2HD ARG 10 0.147 3.725 1.547
51 HE ARG 10 HE ARG 10 1.850 2.314 3.327
52 HH11 ARG 10 1HH1 ARG 10 -0.579 4.805 3.212
53 HH12 ARG 10 2HH1 ARG 10 0.005 5.623 4.623
54 HH21 ARG 10 1HH2 ARG 10 2.628 3.381 5.187
55 HH22 ARG 10 2HH2 ARG 10 1.832 4.813 5.744
56 H ARG 11 H ARG 11 -4.724 1.318 2.203
57 HA ARG 11 HA ARG 11 -6.033 -0.787 0.651
58 HB3 ARG 11 2HB ARG 11 -8.116 0.604 1.267
59 HG3 ARG 11 2HG ARG 11 -6.463 -0.845 3.308
60 HD3 ARG 11 2HD ARG 11 -9.002 -0.866 4.298
61 HE ARG 11 HE ARG 11 -7.424 1.247 5.409
62 HH11 ARG 11 1HH1 ARG 11 -7.657 -2.205 5.024
63 HH12 ARG 11 2HH1 ARG 11 -6.727 -2.558 6.443
64 HH21 ARG 11 1HH2 ARG 11 -6.200 0.796 7.279
65 HH22 ARG 11 2HH2 ARG 11 -5.900 -0.849 7.726
66 H ASP 12 H ASP 12 -4.772 0.003 -1.258
67 HA ASP 12 HA ASP 12 -6.419 1.886 -2.750
68 HB3 ASP 12 2HB ASP 12 -4.892 3.510 -2.212
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -4.405 -0.804 -2.973
2 HA2 GLY 1 2HA GLY 1 -3.216 -1.903 -4.606
3 HA3 GLY 1 3HA GLY 1 -4.065 -0.823 -5.701
4 H SER 2 H SER 2 -2.329 1.092 -3.663
5 HA SER 2 HA SER 2 -0.283 1.517 -5.692
6 HB3 SER 2 2HB SER 2 -0.230 3.215 -3.284
7 HG SER 2 HG SER 2 -0.772 4.472 -5.582
8 H CYS 3 H CYS 3 0.021 -0.878 -4.309
9 HA CYS 3 HA CYS 3 1.673 -0.819 -2.066
10 HB3 CYS 3 2HB CYS 3 1.289 -2.798 -4.291
11 H PHE 4 H PHE 4 3.787 -0.449 -1.733
12 HA PHE 4 HA PHE 4 5.654 -0.430 -3.955
13 HB3 PHE 4 2HB PHE 4 6.460 1.899 -3.018
14 HD1 PHE 4 1HD PHE 4 6.613 0.955 -5.565
15 HD2 PHE 4 2HD PHE 4 3.403 3.190 -3.886
16 HE1 PHE 4 1HE PHE 4 5.962 1.705 -7.818
17 HE2 PHE 4 2HE PHE 4 2.746 3.942 -6.135
18 HZ PHE 4 HZ PHE 4 4.025 3.200 -8.103
19 H GLY 5 H GLY 5 6.423 -2.251 -2.698
20 HA2 GLY 5 2HA GLY 5 7.818 -3.250 -1.170
21 HA3 GLY 5 3HA GLY 5 8.681 -1.719 -1.185
22 H ALA 6 H ALA 6 8.681 -0.510 0.611
23 HA ALA 6 HA ALA 6 7.693 -1.542 3.034
24 HB1 ALA 6 1HB ALA 6 9.363 -0.161 3.598
25 HB2 ALA 6 2HB ALA 6 9.141 0.846 2.167
26 HB3 ALA 6 3HB ALA 6 8.126 1.096 3.587
27 H PHE 7 H PHE 7 6.153 0.224 0.573
28 HA PHE 7 HA PHE 7 3.986 1.029 2.398
29 HB3 PHE 7 2HB PHE 7 3.293 2.601 0.629
30 HD1 PHE 7 1HD PHE 7 3.917 3.582 2.934
31 HD2 PHE 7 2HD PHE 7 6.671 3.123 -0.277
32 HE1 PHE 7 1HE PHE 7 5.383 5.273 3.956
33 HE2 PHE 7 2HE PHE 7 8.143 4.813 0.739
34 HZ PHE 7 HZ PHE 7 7.500 5.890 2.859
35 H CYS 8 H CYS 8 4.294 -1.662 1.507
36 HA CYS 8 HA CYS 8 2.265 -2.024 -0.557
37 HB3 CYS 8 2HB CYS 8 3.587 -4.285 0.900
38 H PHE 9 H PHE 9 1.873 -1.124 2.370
39 HA PHE 9 HA PHE 9 -0.258 -3.063 2.989
40 HB3 PHE 9 2HB PHE 9 0.066 -2.500 5.380
41 HD1 PHE 9 1HD PHE 9 3.516 -2.451 4.137
42 HD2 PHE 9 2HD PHE 9 0.267 -4.887 5.411
43 HE1 PHE 9 1HE PHE 9 5.030 -4.383 4.293
44 HE2 PHE 9 2HE PHE 9 1.777 -6.822 5.571
45 HZ PHE 9 HZ PHE 9 4.161 -6.572 5.011
46 H ARG 10 H ARG 10 -1.354 -1.474 1.452
47 HA ARG 10 HA ARG 10 -2.717 0.532 3.089
48 HB3 ARG 10 2HB ARG 10 -2.645 2.125 1.143
49 HG3 ARG 10 2HG ARG 10 -0.164 2.699 1.391
50 HD3 ARG 10 2HD ARG 10 -0.676 2.951 4.044
51 HE ARG 10 HE ARG 10 -2.194 4.827 2.534
52 HH11 ARG 10 1HH1 ARG 10 1.045 3.715 3.163
53 HH12 ARG 10 2HH1 ARG 10 1.784 5.230 2.761
54 HH21 ARG 10 1HH2 ARG 10 -1.234 6.827 2.001
55 HH22 ARG 10 2HH2 ARG 10 0.485 7.000 2.102
56 H ARG 11 H ARG 11 -4.746 1.295 2.068
57 HA ARG 11 HA ARG 11 -6.028 -0.929 0.654
58 HB3 ARG 11 2HB ARG 11 -7.389 1.426 1.958
59 HG3 ARG 11 2HG ARG 11 -8.568 -1.291 1.834
60 HD3 ARG 11 2HD ARG 11 -10.339 0.777 1.092
61 HE ARG 11 HE ARG 11 -10.262 -1.213 3.047
62 HH11 ARG 11 1HH1 ARG 11 -11.533 1.997 2.600
63 HH12 ARG 11 2HH1 ARG 11 -12.873 1.757 3.671
64 HH21 ARG 11 1HH2 ARG 11 -12.024 -1.540 4.461
65 HH22 ARG 11 2HH2 ARG 11 -13.151 -0.254 4.730
66 H ASP 12 H ASP 12 -4.616 0.161 -1.176
67 HA ASP 12 HA ASP 12 -6.476 1.841 -2.705
68 HB3 ASP 12 2HB ASP 12 -5.000 3.528 -2.219
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -4.388 -0.754 -2.921
2 HA2 GLY 1 2HA GLY 1 -3.248 -1.866 -4.578
3 HA3 GLY 1 3HA GLY 1 -4.094 -0.765 -5.655
4 H SER 2 H SER 2 -2.315 1.136 -3.663
5 HA SER 2 HA SER 2 -0.274 1.504 -5.707
6 HB3 SER 2 2HB SER 2 -0.186 3.236 -3.327
7 HG SER 2 HG SER 2 -0.574 3.871 -6.063
8 H CYS 3 H CYS 3 0.007 -0.875 -4.293
9 HA CYS 3 HA CYS 3 1.666 -0.806 -2.058
10 HB3 CYS 3 2HB CYS 3 1.259 -2.805 -4.260
11 H PHE 4 H PHE 4 3.786 -0.458 -1.732
12 HA PHE 4 HA PHE 4 5.648 -0.478 -3.961
13 HB3 PHE 4 2HB PHE 4 6.502 1.831 -3.189
14 HD1 PHE 4 1HD PHE 4 6.012 0.618 -5.712
15 HD2 PHE 4 2HD PHE 4 3.634 3.469 -3.629
16 HE1 PHE 4 1HE PHE 4 5.062 1.385 -7.850
17 HE2 PHE 4 2HE PHE 4 2.680 4.238 -5.763
18 HZ PHE 4 HZ PHE 4 3.393 3.196 -7.877
19 H GLY 5 H GLY 5 6.397 -2.295 -2.685
20 HA2 GLY 5 2HA GLY 5 7.783 -3.297 -1.152
21 HA3 GLY 5 3HA GLY 5 8.665 -1.778 -1.187
22 H ALA 6 H ALA 6 8.685 -0.541 0.593
23 HA ALA 6 HA ALA 6 7.697 -1.532 3.034
24 HB1 ALA 6 1HB ALA 6 9.299 0.680 2.149
25 HB2 ALA 6 2HB ALA 6 8.148 1.212 3.375
26 HB3 ALA 6 3HB ALA 6 9.258 -0.113 3.725
27 H PHE 7 H PHE 7 6.162 0.216 0.558
28 HA PHE 7 HA PHE 7 4.011 1.063 2.380
29 HB3 PHE 7 2HB PHE 7 3.383 2.717 0.763
30 HD1 PHE 7 2HD PHE 7 4.625 3.436 3.004
31 HD2 PHE 7 1HD PHE 7 6.460 3.071 -0.821
32 HE1 PHE 7 2HE PHE 7 6.416 4.963 3.719
33 HE2 PHE 7 1HE PHE 7 8.255 4.595 -0.109
34 HZ PHE 7 HZ PHE 7 8.234 5.546 2.163
35 H CYS 8 H CYS 8 4.288 -1.640 1.517
36 HA CYS 8 HA CYS 8 2.249 -2.005 -0.535
37 HB3 CYS 8 2HB CYS 8 3.554 -4.265 0.940
38 H PHE 9 H PHE 9 1.876 -1.070 2.385
39 HA PHE 9 HA PHE 9 -0.242 -3.006 3.057
40 HB3 PHE 9 2HB PHE 9 0.068 -2.192 5.436
41 HD1 PHE 9 1HD PHE 9 -0.072 -4.681 5.284
42 HD2 PHE 9 2HD PHE 9 3.544 -2.547 4.589
43 HE1 PHE 9 1HE PHE 9 1.213 -6.753 5.621
44 HE2 PHE 9 2HE PHE 9 4.834 -4.615 4.923
45 HZ PHE 9 HZ PHE 9 3.669 -6.721 5.440
46 H ARG 10 H ARG 10 -1.312 -1.459 1.425
47 HA ARG 10 HA ARG 10 -2.741 0.569 2.984
48 HB3 ARG 10 2HB ARG 10 -2.691 2.028 0.878
49 HG3 ARG 10 2HG ARG 10 0.084 1.828 1.908
50 HD3 ARG 10 2HD ARG 10 -0.611 3.687 0.467
51 HE ARG 10 HE ARG 10 -2.915 3.804 2.052
52 HH11 ARG 10 1HH1 ARG 10 -0.555 5.932 0.631
53 HH12 ARG 10 2HH1 ARG 10 -1.654 7.265 0.484
54 HH21 ARG 10 1HH2 ARG 10 -4.370 5.550 1.862
55 HH22 ARG 10 2HH2 ARG 10 -3.824 7.046 1.185
56 H ARG 11 H ARG 11 -4.810 1.174 2.049
57 HA ARG 11 HA ARG 11 -6.016 -1.087 0.637
58 HB3 ARG 11 2HB ARG 11 -8.170 0.202 1.279
59 HG3 ARG 11 2HG ARG 11 -7.945 -0.501 3.731
60 HD3 ARG 11 2HD ARG 11 -8.232 -2.002 1.323
61 HE ARG 11 HE ARG 11 -6.675 -3.633 1.754
62 HH11 ARG 11 1HH1 ARG 11 -8.320 -2.791 4.704
63 HH12 ARG 11 2HH1 ARG 11 -7.632 -4.096 5.613
64 HH21 ARG 11 1HH2 ARG 11 -5.761 -5.353 2.939
65 HH22 ARG 11 2HH2 ARG 11 -6.175 -5.552 4.609
66 H ASP 12 H ASP 12 -4.456 0.405 -1.019
67 HA ASP 12 HA ASP 12 -6.419 1.918 -2.613
68 HB3 ASP 12 2HB ASP 12 -4.913 3.585 -2.151