Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
624113 | 6f3x RC | 34208 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 1.820 -0.884 -1.799
3 HB2 LYS 1 2HB LYS 1 0.704 1.447 -1.978
4 HB3 LYS 1 3HB LYS 1 2.319 2.079 -1.685
5 HG2 LYS 1 2HG LYS 1 2.157 0.037 -3.786
6 HG3 LYS 1 3HG LYS 1 1.294 1.538 -4.130
7 HD2 LYS 1 2HD LYS 1 3.251 2.831 -3.935
8 HD3 LYS 1 3HD LYS 1 4.132 1.525 -3.139
9 HE2 LYS 1 2HE LYS 1 4.566 0.441 -5.097
10 HE3 LYS 1 3HE LYS 1 3.084 1.008 -5.866
11 HZ1 LYS 1 1HZ LYS 1 4.836 3.173 -5.310
12 HZ2 LYS 1 2HZ LYS 1 4.175 2.685 -6.788
13 HZ3 LYS 1 3HZ LYS 1 5.622 1.999 -6.242
14 H ARG 2 H ARG 2 3.419 1.453 0.356
15 HA ARG 2 HA ARG 2 6.034 0.911 -0.620
16 HB2 ARG 2 2HB ARG 2 4.843 2.476 1.590
17 HB3 ARG 2 3HB ARG 2 6.499 1.940 1.838
18 HG2 ARG 2 2HG ARG 2 6.659 2.922 -0.677
19 HG3 ARG 2 3HG ARG 2 5.422 3.972 0.018
20 HD2 ARG 2 2HD ARG 2 7.071 4.182 2.005
21 HD3 ARG 2 3HD ARG 2 8.270 3.588 0.857
22 HE ARG 2 HE ARG 2 7.023 5.653 -0.435
23 HH11 ARG 2 1HH1 ARG 2 8.737 5.278 2.572
24 HH12 ARG 2 2HH1 ARG 2 9.327 6.907 2.590
25 HH21 ARG 2 1HH2 ARG 2 7.794 7.800 -0.423
26 HH22 ARG 2 2HH2 ARG 2 8.789 8.341 0.886
27 HA PRO 3 HA PRO 3 7.247 -2.678 1.591
28 HB2 PRO 3 2HB PRO 3 9.807 -2.102 2.285
29 HB3 PRO 3 3HB PRO 3 9.319 -2.459 0.624
30 HG2 PRO 3 2HG PRO 3 9.794 0.192 1.931
31 HG3 PRO 3 3HG PRO 3 10.286 -0.366 0.321
32 HD2 PRO 3 2HD PRO 3 8.132 1.226 0.715
33 HD3 PRO 3 3HD PRO 3 8.205 0.023 -0.589
34 HA PRO 4 HA PRO 4 6.833 -2.272 5.950
35 HB2 PRO 4 2HB PRO 4 8.435 -4.251 6.891
36 HB3 PRO 4 3HB PRO 4 6.895 -4.565 6.083
37 HG2 PRO 4 2HG PRO 4 9.674 -4.684 4.976
38 HG3 PRO 4 3HG PRO 4 8.322 -5.806 4.731
39 HD2 PRO 4 2HD PRO 4 9.011 -3.932 2.901
40 HD3 PRO 4 3HD PRO 4 7.334 -4.465 3.138
41 H GLY 5 H GLY 5 7.670 -1.076 7.575
42 HA2 GLY 5 2HA GLY 5 9.323 -0.181 8.971
43 HA3 GLY 5 3HA GLY 5 10.552 -0.842 7.902
44 H PHE 6 H PHE 6 8.001 0.928 6.431
45 HA PHE 6 HA PHE 6 9.783 2.834 5.330
46 HB2 PHE 6 2HB PHE 6 7.852 3.801 4.281
47 HB3 PHE 6 3HB PHE 6 7.647 2.053 4.268
48 HD1 PHE 6 HD1 PHE 6 6.008 0.982 5.728
49 HD2 PHE 6 HD2 PHE 6 6.406 5.216 5.556
50 HE1 PHE 6 HE1 PHE 6 3.821 1.229 6.829
51 HE2 PHE 6 HE2 PHE 6 4.220 5.470 6.657
52 HZ PHE 6 HZ PHE 6 2.925 3.475 7.296
53 H SER 7 H SER 7 10.304 4.861 5.935
54 HA SER 7 HA SER 7 9.780 5.674 8.614
55 HB2 SER 7 2HB SER 7 11.508 6.504 6.432
56 HB3 SER 7 3HB SER 7 10.816 7.893 7.270
57 HG SER 7 HG SER 7 12.651 6.031 8.145
58 HA PRO 8 HA PRO 8 6.235 8.228 8.224
59 HB2 PRO 8 2HB PRO 8 6.845 10.329 9.830
60 HB3 PRO 8 3HB PRO 8 6.461 8.721 10.456
61 HG2 PRO 8 2HG PRO 8 9.134 10.002 10.037
62 HG3 PRO 8 3HG PRO 8 8.559 9.037 11.409
63 HD2 PRO 8 2HD PRO 8 10.136 8.008 9.463
64 HD3 PRO 8 3HD PRO 8 8.916 7.039 10.315
65 H PHE 9 H PHE 9 5.445 9.736 6.863
66 HA PHE 9 HA PHE 9 5.370 11.341 5.254
67 HB2 PHE 9 2HB PHE 9 6.790 12.454 7.437
68 HB3 PHE 9 3HB PHE 9 7.624 12.965 5.973
69 HD1 PHE 9 HD1 PHE 9 4.982 13.664 8.182
70 HD2 PHE 9 HD2 PHE 9 6.086 13.901 4.078
71 HE1 PHE 9 HE1 PHE 9 3.277 15.402 7.827
72 HE2 PHE 9 HE2 PHE 9 4.384 15.640 3.717
73 HZ PHE 9 HZ PHE 9 2.978 16.394 5.593
Start of MODEL 2
1 H1 LYS 1 H LYS 1 4.100 2.441 -5.064
2 HA LYS 1 HA LYS 1 4.205 2.720 -2.604
3 HB2 LYS 1 2HB LYS 1 3.864 -0.060 -3.713
4 HB3 LYS 1 3HB LYS 1 3.618 0.295 -2.008
5 HG2 LYS 1 2HG LYS 1 1.667 1.372 -2.371
6 HG3 LYS 1 3HG LYS 1 2.188 2.025 -3.926
7 HD2 LYS 1 2HD LYS 1 0.511 0.487 -4.476
8 HD3 LYS 1 3HD LYS 1 2.015 -0.384 -4.782
9 HE2 LYS 1 2HE LYS 1 0.697 -1.924 -3.626
10 HE3 LYS 1 3HE LYS 1 1.763 -1.264 -2.387
11 HZ1 LYS 1 1HZ LYS 1 -1.016 -1.310 -2.394
12 HZ2 LYS 1 2HZ LYS 1 -0.563 0.312 -2.553
13 HZ3 LYS 1 3HZ LYS 1 0.004 -0.601 -1.246
14 H ARG 2 H ARG 2 5.710 2.952 -1.099
15 HA ARG 2 HA ARG 2 8.287 1.759 -1.318
16 HB2 ARG 2 2HB ARG 2 6.922 3.562 0.625
17 HB3 ARG 2 3HB ARG 2 8.374 2.724 1.156
18 HG2 ARG 2 2HG ARG 2 9.697 4.093 0.011
19 HG3 ARG 2 3HG ARG 2 8.713 3.951 -1.447
20 HD2 ARG 2 2HD ARG 2 7.923 5.659 0.900
21 HD3 ARG 2 3HD ARG 2 8.899 6.265 -0.437
22 HE ARG 2 HE ARG 2 6.082 5.812 -0.438
23 HH11 ARG 2 1HH1 ARG 2 8.927 5.818 -2.444
24 HH12 ARG 2 2HH1 ARG 2 8.054 6.138 -3.906
25 HH21 ARG 2 1HH2 ARG 2 4.921 6.235 -2.356
26 HH22 ARG 2 2HH2 ARG 2 5.776 6.376 -3.855
27 HA PRO 3 HA PRO 3 7.887 -1.951 0.988
28 HB2 PRO 3 2HB PRO 3 10.198 -2.008 2.412
29 HB3 PRO 3 3HB PRO 3 10.138 -2.282 0.667
30 HG2 PRO 3 2HG PRO 3 10.852 0.206 2.170
31 HG3 PRO 3 3HG PRO 3 11.635 -0.505 0.747
32 HD2 PRO 3 2HD PRO 3 9.920 1.584 0.575
33 HD3 PRO 3 3HD PRO 3 10.068 0.362 -0.704
34 HA PRO 4 HA PRO 4 6.345 -1.324 5.058
35 HB2 PRO 4 2HB PRO 4 7.069 -3.610 6.331
36 HB3 PRO 4 3HB PRO 4 5.800 -3.555 5.102
37 HG2 PRO 4 2HG PRO 4 8.661 -4.394 4.835
38 HG3 PRO 4 3HG PRO 4 7.206 -5.152 4.163
39 HD2 PRO 4 2HD PRO 4 8.833 -3.564 2.693
40 HD3 PRO 4 3HD PRO 4 7.082 -3.656 2.414
41 H GLY 5 H GLY 5 6.898 -0.607 7.105
42 HA2 GLY 5 2HA GLY 5 8.331 -0.277 8.950
43 HA3 GLY 5 3HA GLY 5 9.675 -0.864 7.982
44 H PHE 6 H PHE 6 7.603 1.450 6.515
45 HA PHE 6 HA PHE 6 9.704 3.298 6.125
46 HB2 PHE 6 2HB PHE 6 8.053 4.706 5.069
47 HB3 PHE 6 3HB PHE 6 7.733 3.036 4.614
48 HD1 PHE 6 HD1 PHE 6 5.847 1.815 5.666
49 HD2 PHE 6 HD2 PHE 6 6.467 5.983 6.266
50 HE1 PHE 6 HE1 PHE 6 3.527 2.043 6.455
51 HE2 PHE 6 HE2 PHE 6 4.149 6.218 7.057
52 HZ PHE 6 HZ PHE 6 2.676 4.246 7.153
53 H SER 7 H SER 7 10.325 5.065 7.229
54 HA SER 7 HA SER 7 9.517 5.395 9.920
55 HB2 SER 7 2HB SER 7 10.815 7.738 9.307
56 HB3 SER 7 3HB SER 7 11.607 6.245 9.811
57 HG SER 7 HG SER 7 12.111 7.450 7.647
58 HA PRO 8 HA PRO 8 6.173 8.227 9.744
59 HB2 PRO 8 2HB PRO 8 6.714 9.903 11.811
60 HB3 PRO 8 3HB PRO 8 6.181 8.234 12.042
61 HG2 PRO 8 2HG PRO 8 8.947 9.373 12.160
62 HG3 PRO 8 3HG PRO 8 8.177 8.191 13.235
63 HD2 PRO 8 2HD PRO 8 9.900 7.471 11.273
64 HD3 PRO 8 3HD PRO 8 8.546 6.441 11.781
65 H PHE 9 H PHE 9 5.589 10.089 8.744
66 HA PHE 9 HA PHE 9 7.455 11.552 7.264
67 HB2 PHE 9 2HB PHE 9 4.751 11.314 7.215
68 HB3 PHE 9 3HB PHE 9 4.920 12.928 7.898
69 HD1 PHE 9 HD1 PHE 9 5.422 10.838 4.952
70 HD2 PHE 9 HD2 PHE 9 5.888 14.734 6.602
71 HE1 PHE 9 HE1 PHE 9 5.789 11.746 2.695
72 HE2 PHE 9 HE2 PHE 9 6.255 15.648 4.348
73 HZ PHE 9 HZ PHE 9 6.205 14.155 2.390
Start of MODEL 3
1 H1 LYS 1 H LYS 1 1.845 1.096 -0.349
2 HA LYS 1 HA LYS 1 2.918 0.232 -2.172
3 HB2 LYS 1 2HB LYS 1 3.255 3.142 -2.603
4 HB3 LYS 1 3HB LYS 1 4.402 2.101 -3.435
5 HG2 LYS 1 2HG LYS 1 2.894 1.505 -4.950
6 HG3 LYS 1 3HG LYS 1 1.691 1.135 -3.713
7 HD2 LYS 1 2HD LYS 1 2.313 3.970 -4.466
8 HD3 LYS 1 3HD LYS 1 1.180 3.005 -5.415
9 HE2 LYS 1 2HE LYS 1 0.917 3.281 -2.437
10 HE3 LYS 1 3HE LYS 1 0.230 4.471 -3.541
11 HZ1 LYS 1 1HZ LYS 1 -1.293 2.629 -2.805
12 HZ2 LYS 1 2HZ LYS 1 -0.365 1.578 -3.752
13 HZ3 LYS 1 3HZ LYS 1 -1.188 2.866 -4.477
14 H ARG 2 H ARG 2 4.643 2.360 -0.003
15 HA ARG 2 HA ARG 2 7.254 1.403 -0.591
16 HB2 ARG 2 2HB ARG 2 6.016 3.056 1.557
17 HB3 ARG 2 3HB ARG 2 7.593 2.346 1.872
18 HG2 ARG 2 2HG ARG 2 8.551 3.479 -0.004
19 HG3 ARG 2 3HG ARG 2 6.966 4.054 -0.523
20 HD2 ARG 2 2HD ARG 2 6.933 5.723 0.992
21 HD3 ARG 2 3HD ARG 2 7.712 4.746 2.236
22 HE ARG 2 HE ARG 2 9.633 5.304 0.311
23 HH11 ARG 2 1HH1 ARG 2 7.654 7.046 2.585
24 HH12 ARG 2 2HH1 ARG 2 8.799 8.329 2.796
25 HH21 ARG 2 1HH2 ARG 2 11.148 6.988 0.581
26 HH22 ARG 2 2HH2 ARG 2 10.785 8.296 1.655
27 HA PRO 3 HA PRO 3 7.519 -2.350 1.664
28 HB2 PRO 3 2HB PRO 3 10.002 -2.207 2.752
29 HB3 PRO 3 3HB PRO 3 9.723 -2.468 1.026
30 HG2 PRO 3 2HG PRO 3 10.412 0.061 2.472
31 HG3 PRO 3 3HG PRO 3 11.050 -0.560 0.938
32 HD2 PRO 3 2HD PRO 3 9.146 1.361 1.052
33 HD3 PRO 3 3HD PRO 3 9.223 0.171 -0.262
34 HA PRO 4 HA PRO 4 6.513 -1.908 5.922
35 HB2 PRO 4 2HB PRO 4 7.611 -4.129 7.031
36 HB3 PRO 4 3HB PRO 4 6.183 -4.181 5.991
37 HG2 PRO 4 2HG PRO 4 9.043 -4.748 5.311
38 HG3 PRO 4 3HG PRO 4 7.582 -5.631 4.830
39 HD2 PRO 4 2HD PRO 4 8.836 -3.885 3.184
40 HD3 PRO 4 3HD PRO 4 7.079 -4.137 3.150
41 H GLY 5 H GLY 5 7.292 -0.695 7.534
42 HA2 GLY 5 2HA GLY 5 8.847 -0.195 9.258
43 HA3 GLY 5 3HA GLY 5 10.105 -0.977 8.313
44 H PHE 6 H PHE 6 8.017 1.176 6.638
45 HA PHE 6 HA PHE 6 10.205 2.910 5.997
46 HB2 PHE 6 2HB PHE 6 8.662 4.043 4.542
47 HB3 PHE 6 3HB PHE 6 8.363 2.314 4.405
48 HD1 PHE 6 HD1 PHE 6 7.016 5.524 5.410
49 HD2 PHE 6 HD2 PHE 6 6.361 1.319 5.431
50 HE1 PHE 6 HE1 PHE 6 4.643 5.900 5.941
51 HE2 PHE 6 HE2 PHE 6 3.988 1.687 5.961
52 HZ PHE 6 HZ PHE 6 3.125 3.980 6.217
53 H SER 7 H SER 7 10.669 4.908 6.749
54 HA SER 7 HA SER 7 9.582 5.699 9.261
55 HB2 SER 7 2HB SER 7 11.852 6.379 7.646
56 HB3 SER 7 3HB SER 7 11.031 7.862 8.133
57 HG SER 7 HG SER 7 11.672 5.793 9.957
58 HA PRO 8 HA PRO 8 6.360 8.459 8.146
59 HB2 PRO 8 2HB PRO 8 6.689 10.491 9.916
60 HB3 PRO 8 3HB PRO 8 6.088 8.896 10.385
61 HG2 PRO 8 2HG PRO 8 8.848 10.029 10.633
62 HG3 PRO 8 3HG PRO 8 7.921 9.072 11.804
63 HD2 PRO 8 2HD PRO 8 9.851 7.991 10.242
64 HD3 PRO 8 3HD PRO 8 8.418 7.079 10.759
65 H PHE 9 H PHE 9 5.883 10.275 6.933
66 HA PHE 9 HA PHE 9 8.158 11.988 6.181
67 HB2 PHE 9 2HB PHE 9 7.381 12.012 3.882
68 HB3 PHE 9 3HB PHE 9 7.628 10.346 4.396
69 HD1 PHE 9 HD1 PHE 9 5.674 8.918 4.922
70 HD2 PHE 9 HD2 PHE 9 5.249 12.799 3.228
71 HE1 PHE 9 HE1 PHE 9 3.372 8.368 4.248
72 HE2 PHE 9 HE2 PHE 9 2.947 12.257 2.552
73 HZ PHE 9 HZ PHE 9 2.005 10.039 3.062
Start of MODEL 4
1 H1 LYS 1 H LYS 1 3.109 0.260 -4.069
2 HA LYS 1 HA LYS 1 3.977 2.779 -3.004
3 HB2 LYS 1 2HB LYS 1 1.855 1.185 -2.487
4 HB3 LYS 1 3HB LYS 1 2.915 0.720 -1.162
5 HG2 LYS 1 2HG LYS 1 2.912 3.558 -1.362
6 HG3 LYS 1 3HG LYS 1 1.242 2.985 -1.363
7 HD2 LYS 1 2HD LYS 1 1.423 2.045 0.735
8 HD3 LYS 1 3HD LYS 1 3.175 1.860 0.616
9 HE2 LYS 1 2HE LYS 1 3.081 3.624 2.059
10 HE3 LYS 1 3HE LYS 1 3.082 4.502 0.530
11 HZ1 LYS 1 1HZ LYS 1 0.439 3.802 1.270
12 HZ2 LYS 1 2HZ LYS 1 1.097 5.335 0.993
13 HZ3 LYS 1 3HZ LYS 1 1.188 4.643 2.533
14 H ARG 2 H ARG 2 4.987 2.825 -0.756
15 HA ARG 2 HA ARG 2 7.542 1.585 -0.904
16 HB2 ARG 2 2HB ARG 2 6.209 3.565 0.782
17 HB3 ARG 2 3HB ARG 2 7.320 2.538 1.678
18 HG2 ARG 2 2HG ARG 2 8.629 4.339 1.026
19 HG3 ARG 2 3HG ARG 2 9.012 3.095 -0.166
20 HD2 ARG 2 2HD ARG 2 7.449 4.113 -1.739
21 HD3 ARG 2 3HD ARG 2 7.034 5.341 -0.544
22 HE ARG 2 HE ARG 2 8.910 6.480 -1.154
23 HH11 ARG 2 1HH1 ARG 2 9.275 3.151 -2.109
24 HH12 ARG 2 2HH1 ARG 2 10.778 3.416 -2.930
25 HH21 ARG 2 1HH2 ARG 2 10.888 6.840 -2.232
26 HH22 ARG 2 2HH2 ARG 2 11.695 5.514 -2.999
27 HA PRO 3 HA PRO 3 7.024 -2.123 1.381
28 HB2 PRO 3 2HB PRO 3 9.296 -2.221 2.864
29 HB3 PRO 3 3HB PRO 3 9.276 -2.490 1.117
30 HG2 PRO 3 2HG PRO 3 9.992 -0.017 2.644
31 HG3 PRO 3 3HG PRO 3 10.800 -0.737 1.240
32 HD2 PRO 3 2HD PRO 3 9.123 1.379 1.029
33 HD3 PRO 3 3HD PRO 3 9.285 0.157 -0.249
34 HA PRO 4 HA PRO 4 5.388 -1.480 5.412
35 HB2 PRO 4 2HB PRO 4 6.042 -3.780 6.698
36 HB3 PRO 4 3HB PRO 4 4.806 -3.702 5.436
37 HG2 PRO 4 2HG PRO 4 7.659 -4.587 5.241
38 HG3 PRO 4 3HG PRO 4 6.210 -5.320 4.530
39 HD2 PRO 4 2HD PRO 4 7.899 -3.755 3.105
40 HD3 PRO 4 3HD PRO 4 6.155 -3.818 2.782
41 H GLY 5 H GLY 5 5.896 -0.805 7.491
42 HA2 GLY 5 2HA GLY 5 7.219 -0.235 9.301
43 HA3 GLY 5 3HA GLY 5 8.502 -1.228 8.627
44 H PHE 6 H PHE 6 7.118 1.138 6.556
45 HA PHE 6 HA PHE 6 9.616 2.491 6.287
46 HB2 PHE 6 2HB PHE 6 8.156 2.253 4.363
47 HB3 PHE 6 3HB PHE 6 6.873 3.134 5.187
48 HD1 PHE 6 HD1 PHE 6 10.481 3.650 4.368
49 HD2 PHE 6 HD2 PHE 6 6.556 5.291 4.500
50 HE1 PHE 6 HE1 PHE 6 11.334 5.758 3.429
51 HE2 PHE 6 HE2 PHE 6 7.403 7.401 3.561
52 HZ PHE 6 HZ PHE 6 9.795 7.637 3.023
53 H SER 7 H SER 7 10.201 4.545 6.920
54 HA SER 7 HA SER 7 9.215 5.476 9.377
55 HB2 SER 7 2HB SER 7 10.535 7.639 8.537
56 HB3 SER 7 3HB SER 7 11.377 6.182 9.064
57 HG SER 7 HG SER 7 10.824 7.017 6.415
58 HA PRO 8 HA PRO 8 5.853 8.126 8.421
59 HB2 PRO 8 2HB PRO 8 6.265 10.224 10.095
60 HB3 PRO 8 3HB PRO 8 5.740 8.633 10.659
61 HG2 PRO 8 2HG PRO 8 8.482 9.833 10.661
62 HG3 PRO 8 3HG PRO 8 7.670 8.897 11.929
63 HD2 PRO 8 2HD PRO 8 9.502 7.805 10.261
64 HD3 PRO 8 3HD PRO 8 8.135 6.880 10.914
65 H PHE 9 H PHE 9 5.289 9.743 7.042
66 HA PHE 9 HA PHE 9 7.480 11.402 5.987
67 HB2 PHE 9 2HB PHE 9 6.175 11.541 3.906
68 HB3 PHE 9 3HB PHE 9 6.521 9.869 4.336
69 HD1 PHE 9 HD1 PHE 9 4.759 8.375 5.048
70 HD2 PHE 9 HD2 PHE 9 3.927 12.416 4.003
71 HE1 PHE 9 HE1 PHE 9 2.361 7.843 4.915
72 HE2 PHE 9 HE2 PHE 9 1.527 11.891 3.869
73 HZ PHE 9 HZ PHE 9 0.741 9.602 4.326
Start of MODEL 5
1 H1 LYS 1 H LYS 1 3.415 2.733 -4.362
2 HA LYS 1 HA LYS 1 3.309 1.454 -2.322
3 HB2 LYS 1 2HB LYS 1 4.244 -0.351 -4.561
4 HB3 LYS 1 3HB LYS 1 3.331 -0.850 -3.143
5 HG2 LYS 1 2HG LYS 1 1.789 1.164 -4.238
6 HG3 LYS 1 3HG LYS 1 2.408 0.288 -5.641
7 HD2 LYS 1 2HD LYS 1 0.479 -0.888 -5.159
8 HD3 LYS 1 3HD LYS 1 1.698 -1.824 -4.291
9 HE2 LYS 1 2HE LYS 1 1.022 -0.042 -2.388
10 HE3 LYS 1 3HE LYS 1 -0.504 -0.149 -3.264
11 HZ1 LYS 1 1HZ LYS 1 1.000 -2.460 -2.160
12 HZ2 LYS 1 2HZ LYS 1 -0.492 -2.533 -2.955
13 HZ3 LYS 1 3HZ LYS 1 -0.370 -1.760 -1.455
14 H ARG 2 H ARG 2 5.241 2.469 -1.265
15 HA ARG 2 HA ARG 2 7.791 1.240 -1.448
16 HB2 ARG 2 2HB ARG 2 6.501 3.281 0.239
17 HB3 ARG 2 3HB ARG 2 7.788 2.381 1.030
18 HG2 ARG 2 2HG ARG 2 9.404 3.311 -0.236
19 HG3 ARG 2 3HG ARG 2 8.386 3.385 -1.675
20 HD2 ARG 2 2HD ARG 2 7.798 5.495 -1.258
21 HD3 ARG 2 3HD ARG 2 7.419 5.130 0.424
22 HE ARG 2 HE ARG 2 10.232 5.286 -0.054
23 HH11 ARG 2 1HH1 ARG 2 7.362 7.166 0.535
24 HH12 ARG 2 2HH1 ARG 2 8.223 8.507 1.216
25 HH21 ARG 2 1HH2 ARG 2 11.376 7.044 0.841
26 HH22 ARG 2 2HH2 ARG 2 10.506 8.437 1.389
27 HA PRO 3 HA PRO 3 7.474 -2.289 1.138
28 HB2 PRO 3 2HB PRO 3 9.830 -2.240 2.486
29 HB3 PRO 3 3HB PRO 3 9.714 -2.643 0.769
30 HG2 PRO 3 2HG PRO 3 10.471 -0.050 2.060
31 HG3 PRO 3 3HG PRO 3 11.209 -0.864 0.668
32 HD2 PRO 3 2HD PRO 3 9.485 1.206 0.398
33 HD3 PRO 3 3HD PRO 3 9.594 -0.108 -0.792
34 HA PRO 4 HA PRO 4 6.064 -1.361 5.198
35 HB2 PRO 4 2HB PRO 4 6.834 -3.547 6.613
36 HB3 PRO 4 3HB PRO 4 5.526 -3.583 5.425
37 HG2 PRO 4 2HG PRO 4 8.379 -4.440 5.128
38 HG3 PRO 4 3HG PRO 4 6.904 -5.246 4.562
39 HD2 PRO 4 2HD PRO 4 8.478 -3.771 2.925
40 HD3 PRO 4 3HD PRO 4 6.720 -3.883 2.712
41 H GLY 5 H GLY 5 6.678 -0.559 7.212
42 HA2 GLY 5 2HA GLY 5 8.136 0.020 8.940
43 HA3 GLY 5 3HA GLY 5 9.440 -0.779 8.076
44 H PHE 6 H PHE 6 7.524 1.443 6.289
45 HA PHE 6 HA PHE 6 9.743 3.083 5.675
46 HB2 PHE 6 2HB PHE 6 8.196 4.430 4.411
47 HB3 PHE 6 3HB PHE 6 7.757 2.739 4.195
48 HD1 PHE 6 HD1 PHE 6 5.783 1.818 5.369
49 HD2 PHE 6 HD2 PHE 6 6.711 5.972 5.419
50 HE1 PHE 6 HE1 PHE 6 3.485 2.319 6.095
51 HE2 PHE 6 HE2 PHE 6 4.415 6.479 6.145
52 HZ PHE 6 HZ PHE 6 2.800 4.652 6.485
53 H SER 7 H SER 7 10.469 4.946 6.530
54 HA SER 7 HA SER 7 9.623 5.699 9.137
55 HB2 SER 7 2HB SER 7 11.793 6.358 7.326
56 HB3 SER 7 3HB SER 7 11.182 7.796 8.143
57 HG SER 7 HG SER 7 12.823 6.043 9.128
58 HA PRO 8 HA PRO 8 6.606 8.798 8.405
59 HB2 PRO 8 2HB PRO 8 7.244 10.685 10.249
60 HB3 PRO 8 3HB PRO 8 6.529 9.127 10.678
61 HG2 PRO 8 2HG PRO 8 9.394 9.990 10.782
62 HG3 PRO 8 3HG PRO 8 8.463 9.054 11.967
63 HD2 PRO 8 2HD PRO 8 10.172 7.897 10.213
64 HD3 PRO 8 3HD PRO 8 8.699 7.088 10.786
65 H PHE 9 H PHE 9 6.252 10.572 7.159
66 HA PHE 9 HA PHE 9 8.303 11.607 5.566
67 HB2 PHE 9 2HB PHE 9 6.655 13.186 4.735
68 HB3 PHE 9 3HB PHE 9 5.903 11.608 4.942
69 HD1 PHE 9 HD1 PHE 9 4.286 11.224 6.721
70 HD2 PHE 9 HD2 PHE 9 6.020 15.060 6.091
71 HE1 PHE 9 HE1 PHE 9 2.536 12.241 8.120
72 HE2 PHE 9 HE2 PHE 9 4.273 16.082 7.490
73 HZ PHE 9 HZ PHE 9 2.529 14.673 8.507
Start of MODEL 6
1 H1 LYS 1 H LYS 1 4.428 0.794 -4.780
2 HA LYS 1 HA LYS 1 4.375 2.157 -2.954
3 HB2 LYS 1 2HB LYS 1 2.836 -0.182 -2.075
4 HB3 LYS 1 3HB LYS 1 3.597 0.702 -0.759
5 HG2 LYS 1 2HG LYS 1 2.536 2.775 -1.591
6 HG3 LYS 1 3HG LYS 1 1.700 1.815 -2.814
7 HD2 LYS 1 2HD LYS 1 0.545 0.562 -1.111
8 HD3 LYS 1 3HD LYS 1 1.476 1.358 0.160
9 HE2 LYS 1 2HE LYS 1 0.062 3.183 -1.651
10 HE3 LYS 1 3HE LYS 1 -0.990 2.140 -0.695
11 HZ1 LYS 1 1HZ LYS 1 1.088 3.233 0.903
12 HZ2 LYS 1 2HZ LYS 1 -0.588 3.344 1.105
13 HZ3 LYS 1 3HZ LYS 1 0.222 4.466 0.132
14 H ARG 2 H ARG 2 5.343 2.331 -0.664
15 HA ARG 2 HA ARG 2 8.043 1.452 -0.809
16 HB2 ARG 2 2HB ARG 2 6.415 3.102 1.039
17 HB3 ARG 2 3HB ARG 2 7.857 2.360 1.719
18 HG2 ARG 2 2HG ARG 2 8.403 4.562 0.963
19 HG3 ARG 2 3HG ARG 2 9.188 3.390 -0.098
20 HD2 ARG 2 2HD ARG 2 7.206 3.659 -1.645
21 HD3 ARG 2 3HD ARG 2 6.725 5.030 -0.646
22 HE ARG 2 HE ARG 2 9.381 5.417 -1.388
23 HH11 ARG 2 1HH1 ARG 2 6.245 5.226 -2.887
24 HH12 ARG 2 2HH1 ARG 2 6.661 6.281 -4.196
25 HH21 ARG 2 1HH2 ARG 2 9.942 6.808 -3.107
26 HH22 ARG 2 2HH2 ARG 2 8.765 7.180 -4.321
27 HA PRO 3 HA PRO 3 8.029 -2.317 1.436
28 HB2 PRO 3 2HB PRO 3 10.288 -2.118 2.929
29 HB3 PRO 3 3HB PRO 3 10.312 -2.369 1.180
30 HG2 PRO 3 2HG PRO 3 10.675 0.163 2.736
31 HG3 PRO 3 3HG PRO 3 11.580 -0.425 1.329
32 HD2 PRO 3 2HD PRO 3 9.630 1.444 1.131
33 HD3 PRO 3 3HD PRO 3 9.962 0.270 -0.159
34 HA PRO 4 HA PRO 4 6.306 -1.947 5.464
35 HB2 PRO 4 2HB PRO 4 7.263 -4.150 6.730
36 HB3 PRO 4 3HB PRO 4 6.034 -4.229 5.463
37 HG2 PRO 4 2HG PRO 4 8.982 -4.712 5.273
38 HG3 PRO 4 3HG PRO 4 7.649 -5.629 4.547
39 HD2 PRO 4 2HD PRO 4 9.113 -3.832 3.148
40 HD3 PRO 4 3HD PRO 4 7.395 -4.130 2.815
41 H GLY 5 H GLY 5 6.717 -0.987 7.395
42 HA2 GLY 5 2HA GLY 5 7.993 -0.477 9.316
43 HA3 GLY 5 3HA GLY 5 9.429 -1.064 8.489
44 H PHE 6 H PHE 6 7.377 1.053 6.725
45 HA PHE 6 HA PHE 6 9.459 3.017 6.543
46 HB2 PHE 6 2HB PHE 6 7.657 2.274 4.769
47 HB3 PHE 6 3HB PHE 6 6.686 3.523 5.541
48 HD1 PHE 6 HD1 PHE 6 10.129 3.056 4.180
49 HD2 PHE 6 HD2 PHE 6 6.780 5.639 4.663
50 HE1 PHE 6 HE1 PHE 6 11.255 4.766 2.817
51 HE2 PHE 6 HE2 PHE 6 7.901 7.352 3.300
52 HZ PHE 6 HZ PHE 6 10.141 6.917 2.374
53 H SER 7 H SER 7 9.332 5.212 7.155
54 HA SER 7 HA SER 7 8.149 5.637 9.711
55 HB2 SER 7 2HB SER 7 8.918 8.138 8.724
56 HB3 SER 7 3HB SER 7 9.878 7.068 9.745
57 HG SER 7 HG SER 7 10.135 7.651 7.076
58 HA PRO 8 HA PRO 8 4.275 7.456 8.754
59 HB2 PRO 8 2HB PRO 8 4.106 9.467 10.570
60 HB3 PRO 8 3HB PRO 8 3.967 7.760 11.011
61 HG2 PRO 8 2HG PRO 8 6.331 9.584 11.220
62 HG3 PRO 8 3HG PRO 8 5.731 8.392 12.387
63 HD2 PRO 8 2HD PRO 8 7.829 7.898 10.748
64 HD3 PRO 8 3HD PRO 8 6.709 6.625 11.276
65 H PHE 9 H PHE 9 3.319 9.061 7.551
66 HA PHE 9 HA PHE 9 4.541 11.626 7.167
67 HB2 PHE 9 2HB PHE 9 5.280 9.479 5.411
68 HB3 PHE 9 3HB PHE 9 4.363 10.678 4.506
69 HD1 PHE 9 HD1 PHE 9 5.106 13.209 5.406
70 HD2 PHE 9 HD2 PHE 9 7.537 9.724 5.155
71 HE1 PHE 9 HE1 PHE 9 7.113 14.624 5.245
72 HE2 PHE 9 HE2 PHE 9 9.547 11.133 4.995
73 HZ PHE 9 HZ PHE 9 9.337 13.587 5.040
Start of MODEL 7
1 H1 LYS 1 H LYS 1 3.600 3.660 -2.898
2 HA LYS 1 HA LYS 1 2.802 1.110 -1.670
3 HB2 LYS 1 2HB LYS 1 2.720 1.705 -4.271
4 HB3 LYS 1 3HB LYS 1 4.397 1.181 -4.182
5 HG2 LYS 1 2HG LYS 1 3.695 -0.907 -4.379
6 HG3 LYS 1 3HG LYS 1 2.922 -0.755 -2.799
7 HD2 LYS 1 2HD LYS 1 1.029 0.407 -4.229
8 HD3 LYS 1 3HD LYS 1 1.743 -0.555 -5.526
9 HE2 LYS 1 2HE LYS 1 1.531 -2.547 -3.976
10 HE3 LYS 1 3HE LYS 1 0.541 -1.519 -2.941
11 HZ1 LYS 1 1HZ LYS 1 -0.918 -2.724 -4.333
12 HZ2 LYS 1 2HZ LYS 1 -0.030 -2.360 -5.725
13 HZ3 LYS 1 3HZ LYS 1 -0.897 -1.142 -4.934
14 H ARG 2 H ARG 2 4.620 2.770 -0.309
15 HA ARG 2 HA ARG 2 7.315 1.994 -0.836
16 HB2 ARG 2 2HB ARG 2 5.892 3.623 1.154
17 HB3 ARG 2 3HB ARG 2 7.318 2.806 1.779
18 HG2 ARG 2 2HG ARG 2 8.715 4.159 0.684
19 HG3 ARG 2 3HG ARG 2 7.754 4.110 -0.795
20 HD2 ARG 2 2HD ARG 2 6.696 5.625 1.538
21 HD3 ARG 2 3HD ARG 2 8.021 6.330 0.611
22 HE ARG 2 HE ARG 2 6.073 5.507 -1.199
23 HH11 ARG 2 1HH1 ARG 2 6.439 7.819 1.377
24 HH12 ARG 2 2HH1 ARG 2 5.313 8.949 0.699
25 HH21 ARG 2 1HH2 ARG 2 4.589 6.985 -2.102
26 HH22 ARG 2 2HH2 ARG 2 4.261 8.473 -1.280
27 HA PRO 3 HA PRO 3 7.670 -1.834 1.278
28 HB2 PRO 3 2HB PRO 3 10.092 -1.614 2.486
29 HB3 PRO 3 3HB PRO 3 9.904 -1.816 0.740
30 HG2 PRO 3 2HG PRO 3 10.398 0.681 2.316
31 HG3 PRO 3 3HG PRO 3 11.134 0.157 0.790
32 HD2 PRO 3 2HD PRO 3 9.131 1.976 0.892
33 HD3 PRO 3 3HD PRO 3 9.327 0.848 -0.465
34 HA PRO 4 HA PRO 4 6.453 -1.622 5.497
35 HB2 PRO 4 2HB PRO 4 7.613 -3.831 6.567
36 HB3 PRO 4 3HB PRO 4 6.237 -3.909 5.460
37 HG2 PRO 4 2HG PRO 4 9.150 -4.305 4.893
38 HG3 PRO 4 3HG PRO 4 7.759 -5.238 4.310
39 HD2 PRO 4 2HD PRO 4 8.995 -3.364 2.795
40 HD3 PRO 4 3HD PRO 4 7.256 -3.701 2.668
41 H GLY 5 H GLY 5 7.088 -0.883 7.503
42 HA2 GLY 5 2HA GLY 5 8.585 -0.355 9.229
43 HA3 GLY 5 3HA GLY 5 9.918 -0.843 8.193
44 H PHE 6 H PHE 6 7.580 1.271 6.826
45 HA PHE 6 HA PHE 6 9.549 3.320 6.462
46 HB2 PHE 6 2HB PHE 6 7.541 2.604 4.922
47 HB3 PHE 6 3HB PHE 6 6.642 3.761 5.899
48 HD1 PHE 6 HD1 PHE 6 9.630 3.411 3.734
49 HD2 PHE 6 HD2 PHE 6 6.764 6.046 5.455
50 HE1 PHE 6 HE1 PHE 6 10.481 5.246 2.332
51 HE2 PHE 6 HE2 PHE 6 7.610 7.885 4.056
52 HZ PHE 6 HZ PHE 6 9.469 7.486 2.491
53 H SER 7 H SER 7 9.739 5.266 7.458
54 HA SER 7 HA SER 7 8.682 5.554 10.070
55 HB2 SER 7 2HB SER 7 9.612 8.067 9.364
56 HB3 SER 7 3HB SER 7 10.568 6.784 10.107
57 HG SER 7 HG SER 7 11.677 7.239 8.307
58 HA PRO 8 HA PRO 8 4.935 7.762 9.502
59 HB2 PRO 8 2HB PRO 8 5.020 9.588 11.509
60 HB3 PRO 8 3HB PRO 8 4.758 7.863 11.791
61 HG2 PRO 8 2HG PRO 8 7.275 9.463 12.047
62 HG3 PRO 8 3HG PRO 8 6.630 8.212 13.125
63 HD2 PRO 8 2HD PRO 8 8.601 7.718 11.335
64 HD3 PRO 8 3HD PRO 8 7.403 6.493 11.798
65 H PHE 9 H PHE 9 4.133 9.449 8.358
66 HA PHE 9 HA PHE 9 5.720 11.888 8.085
67 HB2 PHE 9 2HB PHE 9 5.432 9.861 6.030
68 HB3 PHE 9 3HB PHE 9 4.791 11.410 5.494
69 HD1 PHE 9 HD1 PHE 9 6.219 13.108 4.781
70 HD2 PHE 9 HD2 PHE 9 7.799 9.799 6.943
71 HE1 PHE 9 HE1 PHE 9 8.502 13.885 4.295
72 HE2 PHE 9 HE2 PHE 9 10.085 10.572 6.461
73 HZ PHE 9 HZ PHE 9 10.439 12.617 5.137
Start of MODEL 8
1 H1 LYS 1 H LYS 1 3.415 0.214 -4.422
2 HA LYS 1 HA LYS 1 4.001 2.963 -3.549
3 HB2 LYS 1 2HB LYS 1 3.050 2.311 -1.379
4 HB3 LYS 1 3HB LYS 1 1.894 2.090 -2.685
5 HG2 LYS 1 2HG LYS 1 3.377 -0.326 -2.302
6 HG3 LYS 1 3HG LYS 1 2.707 0.217 -0.762
7 HD2 LYS 1 2HD LYS 1 0.490 0.409 -1.830
8 HD3 LYS 1 3HD LYS 1 1.181 -0.216 -3.330
9 HE2 LYS 1 2HE LYS 1 1.734 -1.872 -0.982
10 HE3 LYS 1 3HE LYS 1 0.018 -1.724 -1.362
11 HZ1 LYS 1 1HZ LYS 1 2.182 -2.761 -3.097
12 HZ2 LYS 1 2HZ LYS 1 0.663 -2.334 -3.704
13 HZ3 LYS 1 3HZ LYS 1 0.798 -3.572 -2.559
14 H ARG 2 H ARG 2 5.254 3.055 -1.438
15 HA ARG 2 HA ARG 2 7.758 1.765 -1.820
16 HB2 ARG 2 2HB ARG 2 6.611 3.668 0.161
17 HB3 ARG 2 3HB ARG 2 8.058 2.783 0.624
18 HG2 ARG 2 2HG ARG 2 9.377 3.904 -0.828
19 HG3 ARG 2 3HG ARG 2 8.097 4.074 -2.031
20 HD2 ARG 2 2HD ARG 2 7.063 5.833 -0.729
21 HD3 ARG 2 3HD ARG 2 8.252 5.617 0.555
22 HE ARG 2 HE ARG 2 9.646 6.169 -1.787
23 HH11 ARG 2 1HH1 ARG 2 7.378 7.745 0.332
24 HH12 ARG 2 2HH1 ARG 2 7.969 9.338 -0.006
25 HH21 ARG 2 1HH2 ARG 2 10.433 8.262 -2.240
26 HH22 ARG 2 2HH2 ARG 2 9.706 9.631 -1.470
27 HA PRO 3 HA PRO 3 7.435 -1.875 0.607
28 HB2 PRO 3 2HB PRO 3 9.852 -1.973 1.840
29 HB3 PRO 3 3HB PRO 3 9.641 -2.286 0.113
30 HG2 PRO 3 2HG PRO 3 10.551 0.212 1.488
31 HG3 PRO 3 3HG PRO 3 11.194 -0.557 0.025
32 HD2 PRO 3 2HD PRO 3 9.535 1.581 -0.062
33 HD3 PRO 3 3HD PRO 3 9.540 0.325 -1.317
34 HA PRO 4 HA PRO 4 6.251 -1.102 4.770
35 HB2 PRO 4 2HB PRO 4 7.006 -3.379 6.040
36 HB3 PRO 4 3HB PRO 4 5.644 -3.313 4.916
37 HG2 PRO 4 2HG PRO 4 8.447 -4.250 4.441
38 HG3 PRO 4 3HG PRO 4 6.919 -4.976 3.909
39 HD2 PRO 4 2HD PRO 4 8.467 -3.477 2.271
40 HD3 PRO 4 3HD PRO 4 6.698 -3.519 2.138
41 H GLY 5 H GLY 5 6.985 -0.502 6.836
42 HA2 GLY 5 2HA GLY 5 8.611 -0.219 8.526
43 HA3 GLY 5 3HA GLY 5 9.850 -0.722 7.386
44 H PHE 6 H PHE 6 7.565 1.591 6.277
45 HA PHE 6 HA PHE 6 9.584 3.526 5.789
46 HB2 PHE 6 2HB PHE 6 7.829 4.891 4.873
47 HB3 PHE 6 3HB PHE 6 7.517 3.223 4.406
48 HD1 PHE 6 HD1 PHE 6 6.300 6.105 6.199
49 HD2 PHE 6 HD2 PHE 6 5.740 1.933 5.567
50 HE1 PHE 6 HE1 PHE 6 4.039 6.267 7.156
51 HE2 PHE 6 HE2 PHE 6 3.478 2.089 6.522
52 HZ PHE 6 HZ PHE 6 2.624 4.257 7.317
53 H SER 7 H SER 7 10.201 5.281 6.916
54 HA SER 7 HA SER 7 9.577 5.478 9.663
55 HB2 SER 7 2HB SER 7 11.322 6.916 9.736
56 HB3 SER 7 3HB SER 7 11.584 6.435 8.060
57 HG SER 7 HG SER 7 11.493 8.678 8.193
58 HA PRO 8 HA PRO 8 6.073 8.109 9.854
59 HB2 PRO 8 2HB PRO 8 6.676 9.740 11.939
60 HB3 PRO 8 3HB PRO 8 6.259 8.034 12.143
61 HG2 PRO 8 2HG PRO 8 8.956 9.333 12.096
62 HG3 PRO 8 3HG PRO 8 8.341 8.070 13.179
63 HD2 PRO 8 2HD PRO 8 9.944 7.524 11.066
64 HD3 PRO 8 3HD PRO 8 8.696 6.397 11.633
65 H PHE 9 H PHE 9 5.315 9.946 8.941
66 HA PHE 9 HA PHE 9 7.183 11.694 7.637
67 HB2 PHE 9 2HB PHE 9 4.440 10.982 7.324
68 HB3 PHE 9 3HB PHE 9 4.531 12.732 7.493
69 HD1 PHE 9 HD1 PHE 9 6.619 10.139 5.801
70 HD2 PHE 9 HD2 PHE 9 4.479 13.804 5.474
71 HE1 PHE 9 HE1 PHE 9 7.305 10.325 3.445
72 HE2 PHE 9 HE2 PHE 9 5.160 13.995 3.117
73 HZ PHE 9 HZ PHE 9 6.574 12.254 2.100
Start of MODEL 9
1 H1 LYS 1 H LYS 1 3.887 0.402 -5.066
2 HA LYS 1 HA LYS 1 4.756 2.023 -3.414
3 HB2 LYS 1 2HB LYS 1 2.621 0.497 -3.051
4 HB3 LYS 1 3HB LYS 1 3.607 -0.184 -1.764
5 HG2 LYS 1 2HG LYS 1 3.433 1.653 -0.473
6 HG3 LYS 1 3HG LYS 1 3.467 2.756 -1.850
7 HD2 LYS 1 2HD LYS 1 1.287 3.041 -1.354
8 HD3 LYS 1 3HD LYS 1 1.087 1.533 -2.250
9 HE2 LYS 1 2HE LYS 1 0.198 0.638 -0.420
10 HE3 LYS 1 3HE LYS 1 1.774 0.780 0.357
11 HZ1 LYS 1 1HZ LYS 1 -0.484 1.974 1.213
12 HZ2 LYS 1 2HZ LYS 1 0.248 3.224 0.342
13 HZ3 LYS 1 3HZ LYS 1 1.082 2.477 1.610
14 H ARG 2 H ARG 2 5.740 2.172 -1.223
15 HA ARG 2 HA ARG 2 8.277 0.885 -1.210
16 HB2 ARG 2 2HB ARG 2 6.867 2.860 0.512
17 HB3 ARG 2 3HB ARG 2 8.224 1.993 1.218
18 HG2 ARG 2 2HG ARG 2 9.542 3.525 0.309
19 HG3 ARG 2 3HG ARG 2 9.153 2.817 -1.261
20 HD2 ARG 2 2HD ARG 2 7.259 4.786 -0.080
21 HD3 ARG 2 3HD ARG 2 8.770 5.383 -0.765
22 HE ARG 2 HE ARG 2 7.688 3.700 -2.662
23 HH11 ARG 2 1HH1 ARG 2 6.744 6.625 -1.026
24 HH12 ARG 2 2HH1 ARG 2 5.787 7.209 -2.347
25 HH21 ARG 2 1HH2 ARG 2 6.431 4.459 -4.408
26 HH22 ARG 2 2HH2 ARG 2 5.609 5.976 -4.270
27 HA PRO 3 HA PRO 3 7.622 -2.665 1.282
28 HB2 PRO 3 2HB PRO 3 9.844 -2.705 2.841
29 HB3 PRO 3 3HB PRO 3 9.875 -3.082 1.115
30 HG2 PRO 3 2HG PRO 3 10.584 -0.530 2.509
31 HG3 PRO 3 3HG PRO 3 11.424 -1.349 1.179
32 HD2 PRO 3 2HD PRO 3 9.792 0.775 0.783
33 HD3 PRO 3 3HD PRO 3 9.972 -0.526 -0.411
34 HA PRO 4 HA PRO 4 5.871 -1.747 5.210
35 HB2 PRO 4 2HB PRO 4 6.444 -3.972 6.656
36 HB3 PRO 4 3HB PRO 4 5.250 -3.954 5.352
37 HG2 PRO 4 2HG PRO 4 8.092 -4.893 5.305
38 HG3 PRO 4 3HG PRO 4 6.653 -5.646 4.594
39 HD2 PRO 4 2HD PRO 4 8.413 -4.199 3.132
40 HD3 PRO 4 3HD PRO 4 6.679 -4.256 2.756
41 H GLY 5 H GLY 5 6.308 -1.120 7.365
42 HA2 GLY 5 2HA GLY 5 7.627 -0.594 9.208
43 HA3 GLY 5 3HA GLY 5 8.990 -1.378 8.422
44 H PHE 6 H PHE 6 7.254 0.936 6.570
45 HA PHE 6 HA PHE 6 9.564 2.603 6.338
46 HB2 PHE 6 2HB PHE 6 7.610 2.102 4.630
47 HB3 PHE 6 3HB PHE 6 6.873 3.504 5.399
48 HD1 PHE 6 HD1 PHE 6 7.209 5.512 4.361
49 HD2 PHE 6 HD2 PHE 6 10.217 2.516 4.059
50 HE1 PHE 6 HE1 PHE 6 8.543 7.000 2.925
51 HE2 PHE 6 HE2 PHE 6 11.555 3.999 2.623
52 HZ PHE 6 HZ PHE 6 10.719 6.245 2.055
53 H SER 7 H SER 7 9.872 4.701 7.053
54 HA SER 7 HA SER 7 8.794 5.340 9.585
55 HB2 SER 7 2HB SER 7 9.891 7.692 8.797
56 HB3 SER 7 3HB SER 7 10.830 6.342 9.434
57 HG SER 7 HG SER 7 10.389 7.023 6.719
58 HA PRO 8 HA PRO 8 5.199 7.701 8.729
59 HB2 PRO 8 2HB PRO 8 5.377 9.719 10.536
60 HB3 PRO 8 3HB PRO 8 5.005 8.052 10.991
61 HG2 PRO 8 2HG PRO 8 7.614 9.514 11.120
62 HG3 PRO 8 3HG PRO 8 6.882 8.424 12.312
63 HD2 PRO 8 2HD PRO 8 8.836 7.626 10.616
64 HD3 PRO 8 3HD PRO 8 7.559 6.532 11.184
65 H PHE 9 H PHE 9 4.451 9.426 7.544
66 HA PHE 9 HA PHE 9 4.511 11.178 6.096
67 HB2 PHE 9 2HB PHE 9 5.319 12.250 8.339
68 HB3 PHE 9 3HB PHE 9 6.885 12.309 7.537
69 HD1 PHE 9 HD1 PHE 9 3.343 13.349 7.158
70 HD2 PHE 9 HD2 PHE 9 7.402 14.048 6.084
71 HE1 PHE 9 HE1 PHE 9 2.683 15.437 6.036
72 HE2 PHE 9 HE2 PHE 9 6.749 16.138 4.962
73 HZ PHE 9 HZ PHE 9 4.387 16.835 4.937
Start of MODEL 10
1 H1 LYS 1 H LYS 1 5.146 0.625 -4.810
2 HA LYS 1 HA LYS 1 3.880 2.238 -2.772
3 HB2 LYS 1 2HB LYS 1 3.079 -0.535 -3.287
4 HB3 LYS 1 3HB LYS 1 3.553 -0.239 -1.619
5 HG2 LYS 1 2HG LYS 1 1.658 1.642 -2.937
6 HG3 LYS 1 3HG LYS 1 1.074 0.071 -2.385
7 HD2 LYS 1 2HD LYS 1 2.718 1.694 -0.512
8 HD3 LYS 1 3HD LYS 1 1.054 2.201 -0.810
9 HE2 LYS 1 2HE LYS 1 0.627 -0.400 -0.403
10 HE3 LYS 1 3HE LYS 1 2.098 -0.218 0.552
11 HZ1 LYS 1 1HZ LYS 1 0.381 1.919 1.137
12 HZ2 LYS 1 2HZ LYS 1 0.904 0.681 2.164
13 HZ3 LYS 1 3HZ LYS 1 -0.510 0.485 1.257
14 H ARG 2 H ARG 2 5.112 2.427 -0.943
15 HA ARG 2 HA ARG 2 7.845 1.719 -1.121
16 HB2 ARG 2 2HB ARG 2 6.117 3.162 0.774
17 HB3 ARG 2 3HB ARG 2 7.508 2.375 1.508
18 HG2 ARG 2 2HG ARG 2 8.933 3.872 0.676
19 HG3 ARG 2 3HG ARG 2 8.173 3.843 -0.917
20 HD2 ARG 2 2HD ARG 2 6.314 5.234 0.113
21 HD3 ARG 2 3HD ARG 2 7.385 5.455 1.496
22 HE ARG 2 HE ARG 2 8.832 6.151 -0.763
23 HH11 ARG 2 1HH1 ARG 2 5.977 7.233 0.909
24 HH12 ARG 2 2HH1 ARG 2 6.157 8.885 0.418
25 HH21 ARG 2 1HH2 ARG 2 9.080 8.322 -1.417
26 HH22 ARG 2 2HH2 ARG 2 7.921 9.503 -0.906
27 HA PRO 3 HA PRO 3 8.099 -2.215 0.804
28 HB2 PRO 3 2HB PRO 3 10.341 -1.983 2.317
29 HB3 PRO 3 3HB PRO 3 10.379 -2.085 0.553
30 HG2 PRO 3 2HG PRO 3 10.568 0.328 2.315
31 HG3 PRO 3 3HG PRO 3 11.509 -0.077 0.867
32 HD2 PRO 3 2HD PRO 3 9.433 1.661 0.817
33 HD3 PRO 3 3HD PRO 3 9.844 0.624 -0.564
34 HA PRO 4 HA PRO 4 6.362 -2.301 4.842
35 HB2 PRO 4 2HB PRO 4 7.474 -4.528 5.925
36 HB3 PRO 4 3HB PRO 4 6.250 -4.588 4.651
37 HG2 PRO 4 2HG PRO 4 9.224 -4.846 4.434
38 HG3 PRO 4 3HG PRO 4 7.957 -5.791 3.629
39 HD2 PRO 4 2HD PRO 4 9.290 -3.786 2.389
40 HD3 PRO 4 3HD PRO 4 7.596 -4.175 2.026
41 H GLY 5 H GLY 5 6.732 -1.248 6.700
42 HA2 GLY 5 2HA GLY 5 7.934 -0.813 8.700
43 HA3 GLY 5 3HA GLY 5 9.404 -1.350 7.901
44 H PHE 6 H PHE 6 7.369 0.782 6.137
45 HA PHE 6 HA PHE 6 9.395 2.746 5.913
46 HB2 PHE 6 2HB PHE 6 7.780 2.404 4.126
47 HB3 PHE 6 3HB PHE 6 6.459 2.865 5.195
48 HD1 PHE 6 HD1 PHE 6 5.580 4.918 4.715
49 HD2 PHE 6 HD2 PHE 6 9.769 4.322 4.259
50 HE1 PHE 6 HE1 PHE 6 5.834 7.264 4.017
51 HE2 PHE 6 HE2 PHE 6 10.031 6.667 3.562
52 HZ PHE 6 HZ PHE 6 8.062 8.141 3.441
53 H SER 7 H SER 7 9.605 4.758 6.826
54 HA SER 7 HA SER 7 8.590 5.087 9.459
55 HB2 SER 7 2HB SER 7 9.602 7.530 8.910
56 HB3 SER 7 3HB SER 7 10.604 6.147 9.349
57 HG SER 7 HG SER 7 10.951 7.503 7.259
58 HA PRO 8 HA PRO 8 4.907 7.401 8.892
59 HB2 PRO 8 2HB PRO 8 5.059 9.242 10.881
60 HB3 PRO 8 3HB PRO 8 4.747 7.529 11.180
61 HG2 PRO 8 2HG PRO 8 7.313 9.055 11.406
62 HG3 PRO 8 3HG PRO 8 6.637 7.833 12.500
63 HD2 PRO 8 2HD PRO 8 8.581 7.264 10.703
64 HD3 PRO 8 3HD PRO 8 7.350 6.080 11.185
65 H PHE 9 H PHE 9 4.102 9.172 7.841
66 HA PHE 9 HA PHE 9 5.783 11.529 7.497
67 HB2 PHE 9 2HB PHE 9 6.176 9.767 5.627
68 HB3 PHE 9 3HB PHE 9 4.591 10.266 5.046
69 HD1 PHE 9 HD1 PHE 9 7.944 11.587 5.940
70 HD2 PHE 9 HD2 PHE 9 4.373 12.139 3.690
71 HE1 PHE 9 HE1 PHE 9 8.979 13.488 4.771
72 HE2 PHE 9 HE2 PHE 9 5.403 14.041 2.517
73 HZ PHE 9 HZ PHE 9 7.709 14.717 3.056