Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
624087 | 6bf5 RC | 30366 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 H1 GLN 1 42.130 21.070 22.870
2 HA GLN 1 HA GLN 1 41.360 19.620 20.360
3 HB2 GLN 1 HB2 GLN 1 44.090 19.530 21.700
4 HB3 GLN 1 HB1 GLN 1 43.570 18.830 20.270
5 HG2 GLN 1 HG2 GLN 1 43.690 21.820 20.640
6 HG3 GLN 1 HG1 GLN 1 45.010 20.780 20.020
7 HE21 GLN 1 1HE2 GLN 1 44.540 22.570 18.290
8 HE22 GLN 1 2HE2 GLN 1 43.460 22.030 16.980
9 H ASP 2 H ASP 2 40.340 19.670 23.370
10 HA ASP 2 HA ASP 2 40.950 16.870 24.080
11 HB2 ASP 2 HB2 ASP 2 39.890 18.970 25.830
12 HB3 ASP 2 HB1 ASP 2 40.450 17.230 26.200
13 HA PRO 3 HA PRO 3 37.000 16.180 22.280
14 HB2 PRO 3 HB2 PRO 3 37.340 13.510 23.740
15 HB3 PRO 3 HB1 PRO 3 36.740 13.890 22.000
16 HG2 PRO 3 HG2 PRO 3 39.300 13.000 22.730
17 HG3 PRO 3 HG1 PRO 3 39.020 14.050 21.380
18 HD2 PRO 3 HD2 PRO 3 40.010 14.670 24.130
19 HD3 PRO 3 HD1 PRO 3 40.320 15.540 22.520
20 HA DPR 4 HA DPR 4 33.930 16.120 25.700
21 HB2 DPR 4 HB1 DPR 4 31.800 17.120 24.330
22 HB3 DPR 4 HB2 DPR 4 32.370 15.460 23.880
23 HG2 DPR 4 HG1 DPR 4 33.060 18.130 22.600
24 HG3 DPR 4 HG2 DPR 4 32.560 16.600 21.790
25 HD2 DPR 4 HD1 DPR 4 35.210 17.370 22.080
26 HD3 DPR 4 HD2 DPR 4 34.620 15.700 22.050
27 H LYS 5 H LYS 5 36.010 17.920 25.550
28 HA LYS 5 HA LYS 5 34.620 19.980 27.110
29 HB2 LYS 5 HB2 LYS 5 37.610 19.550 27.010
30 HB3 LYS 5 HB1 LYS 5 36.690 20.750 27.920
31 HG2 LYS 5 HG2 LYS 5 35.470 19.000 29.150
32 HG3 LYS 5 HG1 LYS 5 36.400 17.770 28.340
33 HD2 LYS 5 HD2 LYS 5 37.520 19.850 30.250
34 HD3 LYS 5 HD1 LYS 5 37.250 18.100 30.430
35 HE2 LYS 5 HE2 LYS 5 39.040 17.820 28.530
36 HE3 LYS 5 HE1 LYS 5 39.200 19.500 28.490
37 HZ1 LYS 5 HZ1 LYS 5 39.950 19.470 30.730
38 HZ2 LYS 5 HZ2 LYS 5 40.840 18.320 30.010
39 HZ3 LYS 5 HZ3 LYS 5 39.510 17.920 30.970
40 H DTH 6 H DTH 6 37.060 19.790 24.610
41 HA DTH 6 HA DTH 6 36.600 22.610 23.830
42 HB DTH 6 HB DTH 6 37.120 20.130 22.080
43 HG21 DTH 6 1HG2 DTH 6 34.940 20.030 22.620
44 HG22 DTH 6 2HG2 DTH 6 35.000 20.470 20.990
45 HG23 DTH 6 3HG2 DTH 6 34.670 21.810 22.180
46 HG1 DTH 6 HG1 DTH 6 36.830 21.520 20.330
47 H DAS 7 H DAS 7 38.280 23.180 22.210
48 HA DAS 7 HA DAS 7 41.100 23.030 23.230
49 HB2 DAS 7 HB1 DAS 7 39.970 24.650 21.020
50 HB3 DAS 7 HB2 DAS 7 41.660 24.610 21.520
Start of MODEL 2
1 H1 GLN 1 H1 GLN 1 42.187 21.808 22.679
2 HA GLN 1 HA GLN 1 42.298 19.701 20.796
3 HB2 GLN 1 HB2 GLN 1 44.195 20.152 23.166
4 HB3 GLN 1 HB1 GLN 1 44.448 19.107 21.867
5 HG2 GLN 1 HG2 GLN 1 44.434 22.171 21.726
6 HG3 GLN 1 HG1 GLN 1 45.800 21.048 21.457
7 HE21 GLN 1 1HE2 GLN 1 46.095 20.018 19.344
8 HE22 GLN 1 2HE2 GLN 1 44.915 20.237 18.127
9 H ASP 2 H ASP 2 40.439 19.744 23.346
10 HA ASP 2 HA ASP 2 40.721 16.747 23.591
11 HB2 ASP 2 HB2 ASP 2 39.668 18.371 25.890
12 HB3 ASP 2 HB1 ASP 2 40.311 16.767 25.844
13 HA PRO 3 HA PRO 3 36.896 16.246 22.208
14 HB2 PRO 3 HB2 PRO 3 36.085 13.769 23.199
15 HB3 PRO 3 HB1 PRO 3 37.429 13.952 21.932
16 HG2 PRO 3 HG2 PRO 3 37.656 13.836 24.939
17 HG3 PRO 3 HG1 PRO 3 38.520 12.723 23.703
18 HD2 PRO 3 HD2 PRO 3 39.800 14.915 24.619
19 HD3 PRO 3 HD1 PRO 3 39.552 14.654 22.822
20 HA DPR 4 HA DPR 4 33.629 16.254 25.423
21 HB2 DPR 4 HB1 DPR 4 31.797 17.757 24.321
22 HB3 DPR 4 HB2 DPR 4 32.232 16.173 23.648
23 HG2 DPR 4 HG1 DPR 4 33.496 18.857 22.784
24 HG3 DPR 4 HG2 DPR 4 32.474 17.681 21.787
25 HD2 DPR 4 HD1 DPR 4 35.202 17.490 21.861
26 HD3 DPR 4 HD2 DPR 4 34.268 16.025 22.040
27 H LYS 5 H LYS 5 35.898 17.530 25.877
28 HA LYS 5 HA LYS 5 35.229 19.843 27.427
29 HB2 LYS 5 HB2 LYS 5 36.882 18.179 27.905
30 HB3 LYS 5 HB1 LYS 5 38.037 19.081 26.785
31 HG2 LYS 5 HG2 LYS 5 36.635 20.664 28.970
32 HG3 LYS 5 HG1 LYS 5 37.689 19.501 29.537
33 HD2 LYS 5 HD2 LYS 5 39.565 20.149 28.176
34 HD3 LYS 5 HD1 LYS 5 38.634 21.510 27.462
35 HE2 LYS 5 HE2 LYS 5 38.294 22.358 29.818
36 HE3 LYS 5 HE1 LYS 5 39.435 21.065 30.389
37 HZ1 LYS 5 HZ1 LYS 5 40.120 23.328 28.655
38 HZ2 LYS 5 HZ2 LYS 5 40.985 21.968 28.981
39 HZ3 LYS 5 HZ3 LYS 5 40.702 23.024 30.167
40 H DTH 6 H DTH 6 36.667 19.655 24.101
41 HA DTH 6 HA DTH 6 36.247 22.523 24.065
42 HB DTH 6 HB DTH 6 36.084 22.487 21.725
43 HG21 DTH 6 1HG2 DTH 6 35.854 20.333 20.436
44 HG22 DTH 6 2HG2 DTH 6 36.373 19.466 21.870
45 HG23 DTH 6 3HG2 DTH 6 37.445 20.609 21.073
46 HG1 DTH 6 HG1 DTH 6 34.156 21.945 22.975
47 H DAS 7 H DAS 7 37.799 22.892 21.735
48 HA DAS 7 HA DAS 7 40.510 23.016 22.870
49 HB2 DAS 7 HB1 DAS 7 39.948 23.539 19.976
50 HB3 DAS 7 HB2 DAS 7 41.130 24.265 21.070
Start of MODEL 3
1 H1 GLN 1 H1 GLN 1 42.249 21.522 22.827
2 HA GLN 1 HA GLN 1 42.137 19.657 20.648
3 HB2 GLN 1 HB2 GLN 1 43.719 19.627 23.196
4 HB3 GLN 1 HB1 GLN 1 43.820 18.457 22.028
5 HG2 GLN 1 HG2 GLN 1 44.310 21.330 21.169
6 HG3 GLN 1 HG1 GLN 1 45.613 20.103 21.598
7 HE21 GLN 1 1HE2 GLN 1 44.126 21.531 19.043
8 HE22 GLN 1 2HE2 GLN 1 44.357 20.213 17.845
9 H ASP 2 H ASP 2 40.432 19.717 23.704
10 HA ASP 2 HA ASP 2 40.807 16.801 23.808
11 HB2 ASP 2 HB2 ASP 2 39.777 18.771 25.912
12 HB3 ASP 2 HB1 ASP 2 40.202 17.045 26.165
13 HA PRO 3 HA PRO 3 36.672 15.976 22.129
14 HB2 PRO 3 HB2 PRO 3 37.404 13.633 23.950
15 HB3 PRO 3 HB1 PRO 3 36.414 13.621 22.446
16 HG2 PRO 3 HG2 PRO 3 39.051 13.030 22.794
17 HG3 PRO 3 HG1 PRO 3 38.491 13.791 21.223
18 HD2 PRO 3 HD2 PRO 3 40.200 14.891 23.332
19 HD3 PRO 3 HD1 PRO 3 39.803 15.551 21.713
20 HA DPR 4 HA DPR 4 33.864 15.976 25.407
21 HB2 DPR 4 HB1 DPR 4 31.847 17.642 24.468
22 HB3 DPR 4 HB2 DPR 4 32.259 16.043 23.782
23 HG2 DPR 4 HG1 DPR 4 33.415 18.740 22.788
24 HG3 DPR 4 HG2 DPR 4 32.560 17.470 21.898
25 HD2 DPR 4 HD1 DPR 4 35.155 17.305 21.880
26 HD3 DPR 4 HD2 DPR 4 34.176 15.843 22.115
27 H LYS 5 H LYS 5 36.253 17.738 25.590
28 HA LYS 5 HA LYS 5 35.098 19.911 27.303
29 HB2 LYS 5 HB2 LYS 5 37.919 18.952 26.791
30 HB3 LYS 5 HB1 LYS 5 37.440 20.323 27.792
31 HG2 LYS 5 HG2 LYS 5 36.008 18.896 29.145
32 HG3 LYS 5 HG1 LYS 5 36.450 17.479 28.255
33 HD2 LYS 5 HD2 LYS 5 37.800 17.367 30.274
34 HD3 LYS 5 HD1 LYS 5 38.735 17.498 28.909
35 HE2 LYS 5 HE2 LYS 5 39.775 18.944 30.460
36 HE3 LYS 5 HE1 LYS 5 39.062 20.018 29.221
37 HZ1 LYS 5 HZ1 LYS 5 38.435 20.755 31.452
38 HZ2 LYS 5 HZ2 LYS 5 37.511 19.472 31.626
39 HZ3 LYS 5 HZ3 LYS 5 37.206 20.480 30.409
40 H DTH 6 H DTH 6 36.933 19.665 24.171
41 HA DTH 6 HA DTH 6 36.465 22.631 23.921
42 HB DTH 6 HB DTH 6 36.393 22.165 21.512
43 HG21 DTH 6 1HG2 DTH 6 36.126 19.264 22.232
44 HG22 DTH 6 2HG2 DTH 6 37.676 20.049 21.600
45 HG23 DTH 6 3HG2 DTH 6 36.223 20.101 20.589
46 HG1 DTH 6 HG1 DTH 6 34.467 21.133 21.464
47 H DAS 7 H DAS 7 38.084 23.421 21.881
48 HA DAS 7 HA DAS 7 40.689 23.397 22.994
49 HB2 DAS 7 HB1 DAS 7 39.792 24.047 20.245
50 HB3 DAS 7 HB2 DAS 7 41.412 24.332 20.887
Start of MODEL 4
1 H1 GLN 1 H1 GLN 1 42.223 21.416 22.734
2 HA GLN 1 HA GLN 1 41.750 19.520 20.420
3 HB2 GLN 1 HB2 GLN 1 44.082 19.941 22.288
4 HB3 GLN 1 HB1 GLN 1 44.037 18.783 21.002
5 HG2 GLN 1 HG2 GLN 1 43.831 21.858 20.801
6 HG3 GLN 1 HG1 GLN 1 45.292 20.980 20.631
7 HE21 GLN 1 1HE2 GLN 1 43.197 22.740 18.767
8 HE22 GLN 1 2HE2 GLN 1 42.950 21.669 17.429
9 H ASP 2 H ASP 2 40.447 19.668 23.488
10 HA ASP 2 HA ASP 2 41.040 16.801 24.096
11 HB2 ASP 2 HB2 ASP 2 39.639 18.761 25.794
12 HB3 ASP 2 HB1 ASP 2 40.266 17.134 26.169
13 HA PRO 3 HA PRO 3 36.953 16.391 22.351
14 HB2 PRO 3 HB2 PRO 3 36.182 13.839 22.851
15 HB3 PRO 3 HB1 PRO 3 37.459 14.255 21.738
16 HG2 PRO 3 HG2 PRO 3 37.629 13.563 24.654
17 HG3 PRO 3 HG1 PRO 3 38.667 12.805 23.328
18 HD2 PRO 3 HD2 PRO 3 39.352 14.845 25.083
19 HD3 PRO 3 HD1 PRO 3 39.942 14.788 23.302
20 HA DPR 4 HA DPR 4 33.494 16.036 25.333
21 HB2 DPR 4 HB1 DPR 4 32.652 18.154 23.185
22 HB3 DPR 4 HB2 DPR 4 31.653 17.073 24.254
23 HG2 DPR 4 HG1 DPR 4 32.404 16.438 21.740
24 HG3 DPR 4 HG2 DPR 4 32.664 15.195 23.030
25 HD2 DPR 4 HD1 DPR 4 34.644 17.374 22.045
26 HD3 DPR 4 HD2 DPR 4 34.833 15.591 21.931
27 H LYS 5 H LYS 5 35.933 17.903 25.452
28 HA LYS 5 HA LYS 5 34.930 19.940 27.339
29 HB2 LYS 5 HB2 LYS 5 36.840 18.159 27.839
30 HB3 LYS 5 HB1 LYS 5 37.794 19.265 26.843
31 HG2 LYS 5 HG2 LYS 5 37.308 21.159 28.428
32 HG3 LYS 5 HG1 LYS 5 36.047 20.337 29.080
33 HD2 LYS 5 HD2 LYS 5 38.021 18.485 29.571
34 HD3 LYS 5 HD1 LYS 5 38.994 20.030 29.341
35 HE2 LYS 5 HE2 LYS 5 37.529 21.040 31.149
36 HE3 LYS 5 HE1 LYS 5 37.010 19.411 31.555
37 HZ1 LYS 5 HZ1 LYS 5 38.859 20.145 32.816
38 HZ2 LYS 5 HZ2 LYS 5 39.822 20.248 31.531
39 HZ3 LYS 5 HZ3 LYS 5 39.199 18.786 32.158
40 H DTH 6 H DTH 6 37.111 19.693 24.459
41 HA DTH 6 HA DTH 6 36.607 22.612 23.936
42 HB DTH 6 HB DTH 6 36.863 20.638 21.705
43 HG21 DTH 6 1HG2 DTH 6 34.325 20.512 21.475
44 HG22 DTH 6 2HG2 DTH 6 34.327 21.159 23.194
45 HG23 DTH 6 3HG2 DTH 6 35.023 19.567 22.817
46 HG1 DTH 6 HG1 DTH 6 35.503 22.366 20.889
47 H DAS 7 H DAS 7 38.178 23.570 22.444
48 HA DAS 7 HA DAS 7 40.846 23.118 23.085
49 HB2 DAS 7 HB1 DAS 7 39.902 25.070 21.831
50 HB3 DAS 7 HB2 DAS 7 39.665 24.045 20.447
Start of MODEL 5
1 H1 GLN 1 H1 GLN 1 41.851 21.088 23.216
2 HA GLN 1 HA GLN 1 41.862 20.159 20.426
3 HB2 GLN 1 HB2 GLN 1 43.826 19.561 22.738
4 HB3 GLN 1 HB1 GLN 1 43.841 18.901 21.173
5 HG2 GLN 1 HG2 GLN 1 44.534 20.909 20.069
6 HG3 GLN 1 HG1 GLN 1 44.251 21.824 21.600
7 HE21 GLN 1 1HE2 GLN 1 45.574 21.445 23.467
8 HE22 GLN 1 2HE2 GLN 1 46.997 20.467 23.424
9 H ASP 2 H ASP 2 40.396 19.476 23.497
10 HA ASP 2 HA ASP 2 40.824 16.610 23.180
11 HB2 ASP 2 HB2 ASP 2 40.006 17.945 25.736
12 HB3 ASP 2 HB1 ASP 2 40.692 16.334 25.367
13 HA PRO 3 HA PRO 3 36.534 16.094 22.510
14 HB2 PRO 3 HB2 PRO 3 36.026 13.637 23.536
15 HB3 PRO 3 HB1 PRO 3 36.958 13.883 21.935
16 HG2 PRO 3 HG2 PRO 3 38.145 13.338 24.752
17 HG3 PRO 3 HG1 PRO 3 38.594 12.581 23.306
18 HD2 PRO 3 HD2 PRO 3 39.985 14.727 24.070
19 HD3 PRO 3 HD1 PRO 3 39.551 14.607 22.349
20 HA DPR 4 HA DPR 4 33.951 15.711 26.127
21 HB2 DPR 4 HB1 DPR 4 32.417 17.675 24.400
22 HB3 DPR 4 HB2 DPR 4 31.757 16.444 25.425
23 HG2 DPR 4 HG1 DPR 4 31.999 15.982 22.713
24 HG3 DPR 4 HG2 DPR 4 32.522 14.748 23.917
25 HD2 DPR 4 HD1 DPR 4 34.251 16.773 22.425
26 HD3 DPR 4 HD2 DPR 4 34.581 15.041 22.545
27 H LYS 5 H LYS 5 35.328 18.451 24.620
28 HA LYS 5 HA LYS 5 34.426 20.343 26.655
29 HB2 LYS 5 HB2 LYS 5 36.284 19.074 27.925
30 HB3 LYS 5 HB1 LYS 5 37.318 19.491 26.649
31 HG2 LYS 5 HG2 LYS 5 36.970 22.021 27.295
32 HG3 LYS 5 HG1 LYS 5 36.187 21.296 28.762
33 HD2 LYS 5 HD2 LYS 5 38.128 20.095 29.311
34 HD3 LYS 5 HD1 LYS 5 38.951 20.816 27.868
35 HE2 LYS 5 HE2 LYS 5 38.234 23.050 28.897
36 HE3 LYS 5 HE1 LYS 5 37.794 22.225 30.358
37 HZ1 LYS 5 HZ1 LYS 5 39.804 22.757 30.869
38 HZ2 LYS 5 HZ2 LYS 5 40.355 22.759 29.343
39 HZ3 LYS 5 HZ3 LYS 5 40.229 21.319 30.308
40 H DTH 6 H DTH 6 37.245 19.843 24.353
41 HA DTH 6 HA DTH 6 36.693 22.631 23.328
42 HB DTH 6 HB DTH 6 37.081 20.280 21.737
43 HG21 DTH 6 1HG2 DTH 6 34.864 20.356 22.344
44 HG22 DTH 6 2HG2 DTH 6 34.852 21.115 20.723
45 HG23 DTH 6 3HG2 DTH 6 34.625 22.062 22.218
46 HG1 DTH 6 HG1 DTH 6 36.685 22.943 20.948
47 H DAS 7 H DAS 7 38.458 23.744 22.598
48 HA DAS 7 HA DAS 7 40.989 23.148 23.686
49 HB2 DAS 7 HB1 DAS 7 40.725 25.304 23.208
50 HB3 DAS 7 HB2 DAS 7 40.238 25.010 21.495
Start of MODEL 6
1 H1 GLN 1 H1 GLN 1 42.072 21.713 22.695
2 HA GLN 1 HA GLN 1 42.302 19.586 20.701
3 HB2 GLN 1 HB2 GLN 1 44.391 20.839 21.478
4 HB3 GLN 1 HB1 GLN 1 44.125 20.254 23.053
5 HG2 GLN 1 HG2 GLN 1 44.651 18.028 22.212
6 HG3 GLN 1 HG1 GLN 1 44.448 18.668 20.527
7 HE21 GLN 1 1HE2 GLN 1 46.505 19.609 23.610
8 HE22 GLN 1 2HE2 GLN 1 47.918 19.781 22.686
9 H ASP 2 H ASP 2 40.567 19.610 23.561
10 HA ASP 2 HA ASP 2 40.925 16.666 23.886
11 HB2 ASP 2 HB2 ASP 2 39.877 18.684 25.923
12 HB3 ASP 2 HB1 ASP 2 40.029 16.989 26.010
13 HA PRO 3 HA PRO 3 36.986 16.474 22.127
14 HB2 PRO 3 HB2 PRO 3 36.959 13.812 23.621
15 HB3 PRO 3 HB1 PRO 3 36.386 14.180 21.925
16 HG2 PRO 3 HG2 PRO 3 38.831 13.116 22.230
17 HG3 PRO 3 HG1 PRO 3 38.605 14.520 21.175
18 HD2 PRO 3 HD2 PRO 3 39.515 14.560 24.085
19 HD3 PRO 3 HD1 PRO 3 40.226 15.331 22.540
20 HA DPR 4 HA DPR 4 33.810 16.031 25.234
21 HB2 DPR 4 HB1 DPR 4 32.271 18.159 23.840
22 HB3 DPR 4 HB2 DPR 4 31.765 16.408 24.165
23 HG2 DPR 4 HG1 DPR 4 32.429 17.080 21.602
24 HG3 DPR 4 HG2 DPR 4 33.063 15.640 22.321
25 HD2 DPR 4 HD1 DPR 4 34.657 18.203 22.240
26 HD3 DPR 4 HD2 DPR 4 35.059 16.595 21.673
27 H LYS 5 H LYS 5 35.996 17.687 25.761
28 HA LYS 5 HA LYS 5 34.958 19.794 27.449
29 HB2 LYS 5 HB2 LYS 5 36.728 18.450 28.253
30 HB3 LYS 5 HB1 LYS 5 37.880 18.982 26.888
31 HG2 LYS 5 HG2 LYS 5 37.783 21.235 28.050
32 HG3 LYS 5 HG1 LYS 5 36.680 20.525 29.148
33 HD2 LYS 5 HD2 LYS 5 38.019 19.276 30.281
34 HD3 LYS 5 HD1 LYS 5 39.217 19.044 29.044
35 HE2 LYS 5 HE2 LYS 5 40.022 21.411 29.377
36 HE3 LYS 5 HE1 LYS 5 38.818 21.765 30.475
37 HZ1 LYS 5 HZ1 LYS 5 40.744 21.186 31.766
38 HZ2 LYS 5 HZ2 LYS 5 40.907 19.746 31.010
39 HZ3 LYS 5 HZ3 LYS 5 39.655 19.972 31.900
40 H DTH 6 H DTH 6 37.182 19.803 24.649
41 HA DTH 6 HA DTH 6 36.581 22.695 24.195
42 HB DTH 6 HB DTH 6 36.449 20.532 21.944
43 HG21 DTH 6 1HG2 DTH 6 34.311 21.899 23.565
44 HG22 DTH 6 2HG2 DTH 6 34.503 20.113 23.261
45 HG23 DTH 6 3HG2 DTH 6 34.042 21.186 21.932
46 HG1 DTH 6 HG1 DTH 6 35.546 22.140 20.845
47 H DAS 7 H DAS 7 37.838 22.691 21.731
48 HA DAS 7 HA DAS 7 40.627 23.111 22.576
49 HB2 DAS 7 HB1 DAS 7 39.377 24.552 20.965
50 HB3 DAS 7 HB2 DAS 7 39.224 23.248 19.888
Start of MODEL 7
1 H1 GLN 1 H1 GLN 1 42.082 21.636 23.027
2 HA GLN 1 HA GLN 1 42.236 19.979 20.625
3 HB2 GLN 1 HB2 GLN 1 44.194 20.683 21.539
4 HB3 GLN 1 HB1 GLN 1 43.945 20.105 23.127
5 HG2 GLN 1 HG2 GLN 1 44.192 17.709 22.251
6 HG3 GLN 1 HG1 GLN 1 44.039 18.391 20.659
7 HE21 GLN 1 1HE2 GLN 1 46.356 18.652 23.615
8 HE22 GLN 1 2HE2 GLN 1 47.655 18.575 22.432
9 H ASP 2 H ASP 2 41.044 19.454 23.956
10 HA ASP 2 HA ASP 2 40.938 16.601 23.642
11 HB2 ASP 2 HB2 ASP 2 39.736 18.089 25.809
12 HB3 ASP 2 HB1 ASP 2 40.169 16.426 25.917
13 HA PRO 3 HA PRO 3 36.722 16.250 22.216
14 HB2 PRO 3 HB2 PRO 3 36.031 13.820 23.038
15 HB3 PRO 3 HB1 PRO 3 37.191 14.140 21.762
16 HG2 PRO 3 HG2 PRO 3 37.808 13.391 24.662
17 HG3 PRO 3 HG1 PRO 3 38.540 12.785 23.181
18 HD2 PRO 3 HD2 PRO 3 39.624 14.907 24.701
19 HD3 PRO 3 HD1 PRO 3 40.068 14.697 23.044
20 HA DPR 4 HA DPR 4 33.759 15.926 25.697
21 HB2 DPR 4 HB1 DPR 4 31.550 17.206 24.671
22 HB3 DPR 4 HB2 DPR 4 32.151 15.690 24.105
23 HG2 DPR 4 HG1 DPR 4 33.011 18.440 22.974
24 HG3 DPR 4 HG2 DPR 4 32.228 17.102 22.100
25 HD2 DPR 4 HD1 DPR 4 34.797 17.141 22.009
26 HD3 DPR 4 HD2 DPR 4 33.906 15.634 22.332
27 H LYS 5 H LYS 5 35.972 17.707 25.954
28 HA LYS 5 HA LYS 5 34.925 20.191 27.217
29 HB2 LYS 5 HB2 LYS 5 36.604 18.863 28.210
30 HB3 LYS 5 HB1 LYS 5 37.704 18.972 26.772
31 HG2 LYS 5 HG2 LYS 5 37.966 21.439 27.333
32 HG3 LYS 5 HG1 LYS 5 36.672 21.318 28.523
33 HD2 LYS 5 HD2 LYS 5 38.131 19.916 29.825
34 HD3 LYS 5 HD1 LYS 5 39.375 19.823 28.537
35 HE2 LYS 5 HE2 LYS 5 39.537 22.275 28.497
36 HE3 LYS 5 HE1 LYS 5 38.467 22.416 29.890
37 HZ1 LYS 5 HZ1 LYS 5 40.686 22.575 30.594
38 HZ2 LYS 5 HZ2 LYS 5 41.152 21.278 29.706
39 HZ3 LYS 5 HZ3 LYS 5 40.405 21.022 31.056
40 H DTH 6 H DTH 6 37.374 19.668 24.478
41 HA DTH 6 HA DTH 6 36.359 22.296 23.413
42 HB DTH 6 HB DTH 6 37.648 20.219 21.739
43 HG21 DTH 6 1HG2 DTH 6 34.802 20.352 22.470
44 HG22 DTH 6 2HG2 DTH 6 35.735 18.930 22.643
45 HG23 DTH 6 3HG2 DTH 6 35.210 19.578 20.976
46 HG1 DTH 6 HG1 DTH 6 36.876 21.259 20.277
47 H DAS 7 H DAS 7 38.100 23.129 21.893
48 HA DAS 7 HA DAS 7 40.783 23.362 23.101
49 HB2 DAS 7 HB1 DAS 7 39.785 25.297 21.881
50 HB3 DAS 7 HB2 DAS 7 39.642 24.249 20.466
Start of MODEL 8
1 H1 GLN 1 H1 GLN 1 41.414 21.257 23.306
2 HA GLN 1 HA GLN 1 42.085 19.749 20.814
3 HB2 GLN 1 HB2 GLN 1 43.882 20.288 22.964
4 HB3 GLN 1 HB1 GLN 1 44.292 19.194 21.587
5 HG2 GLN 1 HG2 GLN 1 44.156 20.827 20.004
6 HG3 GLN 1 HG1 GLN 1 43.606 21.996 21.275
7 HE21 GLN 1 1HE2 GLN 1 45.474 23.375 20.238
8 HE22 GLN 1 2HE2 GLN 1 47.135 23.027 20.752
9 H ASP 2 H ASP 2 40.281 19.489 23.437
10 HA ASP 2 HA ASP 2 40.914 16.609 23.766
11 HB2 ASP 2 HB2 ASP 2 39.955 18.069 26.121
12 HB3 ASP 2 HB1 ASP 2 40.657 16.463 25.964
13 HA PRO 3 HA PRO 3 36.873 16.505 22.090
14 HB2 PRO 3 HB2 PRO 3 36.615 13.680 23.085
15 HB3 PRO 3 HB1 PRO 3 36.266 14.345 21.450
16 HG2 PRO 3 HG2 PRO 3 38.617 13.117 21.969
17 HG3 PRO 3 HG1 PRO 3 38.461 14.610 20.962
18 HD2 PRO 3 HD2 PRO 3 39.209 14.292 23.979
19 HD3 PRO 3 HD1 PRO 3 40.086 15.202 22.702
20 HA DPR 4 HA DPR 4 33.755 16.110 25.717
21 HB2 DPR 4 HB1 DPR 4 31.757 17.362 24.809
22 HB3 DPR 4 HB2 DPR 4 32.246 15.792 24.145
23 HG2 DPR 4 HG1 DPR 4 33.111 18.487 22.942
24 HG3 DPR 4 HG2 DPR 4 32.220 17.102 22.173
25 HD2 DPR 4 HD1 DPR 4 35.006 17.297 22.028
26 HD3 DPR 4 HD2 DPR 4 34.119 15.787 22.160
27 H LYS 5 H LYS 5 35.997 17.658 25.925
28 HA LYS 5 HA LYS 5 35.254 19.949 27.406
29 HB2 LYS 5 HB2 LYS 5 37.043 18.314 27.912
30 HB3 LYS 5 HB1 LYS 5 38.062 18.854 26.674
31 HG2 LYS 5 HG2 LYS 5 37.879 21.134 27.576
32 HG3 LYS 5 HG1 LYS 5 37.015 20.610 28.975
33 HD2 LYS 5 HD2 LYS 5 38.948 19.039 29.617
34 HD3 LYS 5 HD1 LYS 5 39.765 19.843 28.271
35 HE2 LYS 5 HE2 LYS 5 39.596 22.083 29.406
36 HE3 LYS 5 HE1 LYS 5 38.626 21.446 30.648
37 HZ1 LYS 5 HZ1 LYS 5 40.976 21.705 31.036
38 HZ2 LYS 5 HZ2 LYS 5 41.406 20.508 30.062
39 HZ3 LYS 5 HZ3 LYS 5 40.436 20.194 31.407
40 H DTH 6 H DTH 6 36.658 19.528 24.195
41 HA DTH 6 HA DTH 6 36.261 22.315 23.359
42 HB DTH 6 HB DTH 6 36.681 21.520 21.161
43 HG21 DTH 6 1HG2 DTH 6 38.141 19.561 21.410
44 HG22 DTH 6 2HG2 DTH 6 36.880 19.295 20.468
45 HG23 DTH 6 3HG2 DTH 6 36.723 18.657 22.138
46 HG1 DTH 6 HG1 DTH 6 34.828 19.825 21.380
47 H DAS 7 H DAS 7 38.014 23.191 21.788
48 HA DAS 7 HA DAS 7 40.648 23.330 23.041
49 HB2 DAS 7 HB1 DAS 7 39.789 25.132 21.851
50 HB3 DAS 7 HB2 DAS 7 39.488 24.193 20.340
Start of MODEL 9
1 H1 GLN 1 H1 GLN 1 42.302 21.498 23.175
2 HA GLN 1 HA GLN 1 42.669 19.765 20.744
3 HB2 GLN 1 HB2 GLN 1 44.468 20.920 22.502
4 HB3 GLN 1 HB1 GLN 1 44.126 19.306 23.155
5 HG2 GLN 1 HG2 GLN 1 44.954 18.257 21.129
6 HG3 GLN 1 HG1 GLN 1 45.039 19.848 20.275
7 HE21 GLN 1 1HE2 GLN 1 46.417 21.550 21.079
8 HE22 GLN 1 2HE2 GLN 1 47.864 21.090 21.913
9 H ASP 2 H ASP 2 40.582 19.673 23.322
10 HA ASP 2 HA ASP 2 40.801 16.787 23.648
11 HB2 ASP 2 HB2 ASP 2 39.486 18.514 25.571
12 HB3 ASP 2 HB1 ASP 2 39.923 16.808 25.679
13 HA PRO 3 HA PRO 3 36.488 16.497 22.113
14 HB2 PRO 3 HB2 PRO 3 35.925 14.013 23.127
15 HB3 PRO 3 HB1 PRO 3 36.750 14.343 21.562
16 HG2 PRO 3 HG2 PRO 3 37.935 13.759 24.402
17 HG3 PRO 3 HG1 PRO 3 38.349 12.968 22.795
18 HD2 PRO 3 HD2 PRO 3 39.628 15.039 23.948
19 HD3 PRO 3 HD1 PRO 3 39.571 15.033 22.092
20 HA DPR 4 HA DPR 4 34.203 16.113 25.995
21 HB2 DPR 4 HB1 DPR 4 31.814 17.138 25.245
22 HB3 DPR 4 HB2 DPR 4 32.386 15.379 25.088
23 HG2 DPR 4 HG1 DPR 4 32.648 17.682 23.090
24 HG3 DPR 4 HG2 DPR 4 31.714 16.254 22.726
25 HD2 DPR 4 HD1 DPR 4 34.328 16.621 21.977
26 HD3 DPR 4 HD2 DPR 4 33.898 15.017 22.684
27 H LYS 5 H LYS 5 35.753 17.659 26.421
28 HA LYS 5 HA LYS 5 35.064 20.103 27.416
29 HB2 LYS 5 HB2 LYS 5 37.835 19.506 26.567
30 HB3 LYS 5 HB1 LYS 5 37.397 20.611 27.810
31 HG2 LYS 5 HG2 LYS 5 36.498 18.602 29.252
32 HG3 LYS 5 HG1 LYS 5 37.181 17.547 28.017
33 HD2 LYS 5 HD2 LYS 5 39.377 18.587 28.281
34 HD3 LYS 5 HD1 LYS 5 38.731 19.491 29.626
35 HE2 LYS 5 HE2 LYS 5 38.013 17.396 30.784
36 HE3 LYS 5 HE1 LYS 5 38.699 16.483 29.405
37 HZ1 LYS 5 HZ1 LYS 5 40.823 17.290 29.872
38 HZ2 LYS 5 HZ2 LYS 5 40.207 16.495 31.257
39 HZ3 LYS 5 HZ3 LYS 5 40.256 18.092 31.163
40 H DTH 6 H DTH 6 36.411 19.582 24.103
41 HA DTH 6 HA DTH 6 36.173 22.382 23.313
42 HB DTH 6 HB DTH 6 36.943 20.305 21.494
43 HG21 DTH 6 1HG2 DTH 6 34.756 19.351 22.445
44 HG22 DTH 6 2HG2 DTH 6 34.608 20.060 20.833
45 HG23 DTH 6 3HG2 DTH 6 34.057 21.010 22.170
46 HG1 DTH 6 HG1 DTH 6 36.681 21.861 20.230
47 H DAS 7 H DAS 7 38.121 22.830 21.648
48 HA DAS 7 HA DAS 7 40.617 23.043 23.226
49 HB2 DAS 7 HB1 DAS 7 39.720 24.859 21.697
50 HB3 DAS 7 HB2 DAS 7 39.780 23.746 20.346
Start of MODEL 10
1 H1 GLN 1 H1 GLN 1 41.963 21.174 23.147
2 HA GLN 1 HA GLN 1 41.756 19.648 20.660
3 HB2 GLN 1 HB2 GLN 1 44.334 19.985 22.247
4 HB3 GLN 1 HB1 GLN 1 44.081 19.138 20.726
5 HG2 GLN 1 HG2 GLN 1 43.449 21.389 19.725
6 HG3 GLN 1 HG1 GLN 1 44.298 22.070 21.211
7 HE21 GLN 1 1HE2 GLN 1 44.668 20.449 17.986
8 HE22 GLN 1 2HE2 GLN 1 46.441 20.441 18.166
9 H ASP 2 H ASP 2 40.266 19.406 23.173
10 HA ASP 2 HA ASP 2 40.877 16.605 23.669
11 HB2 ASP 2 HB2 ASP 2 39.729 18.317 25.759
12 HB3 ASP 2 HB1 ASP 2 40.389 16.730 25.983
13 HA PRO 3 HA PRO 3 36.550 16.523 22.281
14 HB2 PRO 3 HB2 PRO 3 36.873 13.775 23.288
15 HB3 PRO 3 HB1 PRO 3 36.190 14.257 21.783
16 HG2 PRO 3 HG2 PRO 3 38.766 13.204 21.858
17 HG3 PRO 3 HG1 PRO 3 38.532 14.637 20.890
18 HD2 PRO 3 HD2 PRO 3 39.283 14.502 23.922
19 HD3 PRO 3 HD1 PRO 3 40.104 15.265 22.430
20 HA DPR 4 HA DPR 4 33.997 15.594 25.920
21 HB2 DPR 4 HB1 DPR 4 32.185 17.391 24.358
22 HB3 DPR 4 HB2 DPR 4 31.827 15.988 25.479
23 HG2 DPR 4 HG1 DPR 4 31.833 15.767 22.806
24 HG3 DPR 4 HG2 DPR 4 32.740 14.450 23.633
25 HD2 DPR 4 HD1 DPR 4 33.717 17.044 22.479
26 HD3 DPR 4 HD2 DPR 4 34.413 15.429 22.242
27 H LYS 5 H LYS 5 35.853 18.248 25.020
28 HA LYS 5 HA LYS 5 34.709 20.215 26.985
29 HB2 LYS 5 HB2 LYS 5 37.615 19.393 26.647
30 HB3 LYS 5 HB1 LYS 5 37.020 20.497 27.821
31 HG2 LYS 5 HG2 LYS 5 35.595 18.163 28.478
32 HG3 LYS 5 HG1 LYS 5 36.995 17.491 27.610
33 HD2 LYS 5 HD2 LYS 5 38.614 18.554 29.066
34 HD3 LYS 5 HD1 LYS 5 37.259 19.039 30.064
35 HE2 LYS 5 HE2 LYS 5 36.546 16.653 30.398
36 HE3 LYS 5 HE1 LYS 5 38.092 16.253 29.685
37 HZ1 LYS 5 HZ1 LYS 5 37.845 18.076 31.989
38 HZ2 LYS 5 HZ2 LYS 5 39.191 17.324 31.512
39 HZ3 LYS 5 HZ3 LYS 5 37.972 16.410 32.097
40 H DTH 6 H DTH 6 37.050 19.847 24.283
41 HA DTH 6 HA DTH 6 36.453 22.609 23.543
42 HB DTH 6 HB DTH 6 36.942 21.976 21.145
43 HG21 DTH 6 1HG2 DTH 6 36.200 19.966 20.406
44 HG22 DTH 6 2HG2 DTH 6 35.546 19.412 22.098
45 HG23 DTH 6 3HG2 DTH 6 37.195 19.435 21.656
46 HG1 DTH 6 HG1 DTH 6 34.480 21.155 22.220
47 H DAS 7 H DAS 7 38.359 23.587 22.211
48 HA DAS 7 HA DAS 7 40.874 23.164 23.399
49 HB2 DAS 7 HB1 DAS 7 39.900 25.200 22.315
50 HB3 DAS 7 HB2 DAS 7 39.959 24.371 20.813
Start of MODEL 11
1 H1 GLN 1 H1 GLN 1 42.152 21.405 22.800
2 HA GLN 1 HA GLN 1 41.875 19.721 20.400
3 HB2 GLN 1 HB2 GLN 1 44.034 20.616 21.357
4 HB3 GLN 1 HB1 GLN 1 43.776 19.458 22.725
5 HG2 GLN 1 HG2 GLN 1 43.930 17.645 21.249
6 HG3 GLN 1 HG1 GLN 1 43.882 18.636 19.774
7 HE21 GLN 1 1HE2 GLN 1 45.847 18.077 22.660
8 HE22 GLN 1 2HE2 GLN 1 47.385 18.611 21.905
9 H ASP 2 H ASP 2 40.638 19.663 23.710
10 HA ASP 2 HA ASP 2 40.925 16.742 23.939
11 HB2 ASP 2 HB2 ASP 2 39.670 18.665 25.928
12 HB3 ASP 2 HB1 ASP 2 40.175 17.027 26.184
13 HA PRO 3 HA PRO 3 36.992 15.867 22.263
14 HB2 PRO 3 HB2 PRO 3 36.762 13.532 24.001
15 HB3 PRO 3 HB1 PRO 3 36.817 13.658 22.287
16 HG2 PRO 3 HG2 PRO 3 39.021 12.712 24.020
17 HG3 PRO 3 HG1 PRO 3 39.167 13.510 22.403
18 HD2 PRO 3 HD2 PRO 3 39.258 14.717 25.155
19 HD3 PRO 3 HD1 PRO 3 40.345 14.974 23.815
20 HA DPR 4 HA DPR 4 33.690 16.231 25.427
21 HB2 DPR 4 HB1 DPR 4 31.935 17.791 24.107
22 HB3 DPR 4 HB2 DPR 4 32.233 16.043 23.671
23 HG2 DPR 4 HG1 DPR 4 33.341 18.441 22.237
24 HG3 DPR 4 HG2 DPR 4 32.810 16.759 21.636
25 HD2 DPR 4 HD1 DPR 4 35.394 17.486 21.984
26 HD3 DPR 4 HD2 DPR 4 34.746 15.793 21.970
27 H LYS 5 H LYS 5 36.091 17.678 25.971
28 HA LYS 5 HA LYS 5 35.082 19.985 27.393
29 HB2 LYS 5 HB2 LYS 5 37.946 19.605 26.742
30 HB3 LYS 5 HB1 LYS 5 37.169 20.539 27.933
31 HG2 LYS 5 HG2 LYS 5 36.358 18.679 29.130
32 HG3 LYS 5 HG1 LYS 5 37.078 17.460 27.950
33 HD2 LYS 5 HD2 LYS 5 39.197 18.243 28.562
34 HD3 LYS 5 HD1 LYS 5 38.518 19.448 29.733
35 HE2 LYS 5 HE2 LYS 5 37.778 17.473 31.052
36 HE3 LYS 5 HE1 LYS 5 38.733 16.452 30.000
37 HZ1 LYS 5 HZ1 LYS 5 40.088 17.039 31.898
38 HZ2 LYS 5 HZ2 LYS 5 39.828 18.687 31.577
39 HZ3 LYS 5 HZ3 LYS 5 40.628 17.651 30.548
40 H DTH 6 H DTH 6 36.890 19.694 24.312
41 HA DTH 6 HA DTH 6 36.504 22.600 23.827
42 HB DTH 6 HB DTH 6 36.526 20.226 22.029
43 HG21 DTH 6 1HG2 DTH 6 34.098 20.964 23.024
44 HG22 DTH 6 2HG2 DTH 6 34.348 20.919 21.294
45 HG23 DTH 6 3HG2 DTH 6 34.522 22.468 22.241
46 HG1 DTH 6 HG1 DTH 6 36.617 21.540 20.324
47 H DAS 7 H DAS 7 38.238 23.734 22.572
48 HA DAS 7 HA DAS 7 40.943 23.209 23.097
49 HB2 DAS 7 HB1 DAS 7 39.816 25.119 21.838
50 HB3 DAS 7 HB2 DAS 7 39.589 23.964 20.559
Start of MODEL 12
1 H1 GLN 1 H1 GLN 1 42.507 21.681 22.338
2 HA GLN 1 HA GLN 1 41.764 19.612 20.652
3 HB2 GLN 1 HB2 GLN 1 44.236 19.949 22.362
4 HB3 GLN 1 HB1 GLN 1 44.010 18.528 21.436
5 HG2 GLN 1 HG2 GLN 1 43.578 19.789 19.427
6 HG3 GLN 1 HG1 GLN 1 43.930 21.371 20.297
7 HE21 GLN 1 1HE2 GLN 1 45.260 19.986 17.727
8 HE22 GLN 1 2HE2 GLN 1 46.886 20.056 18.239
9 H ASP 2 H ASP 2 40.378 19.707 23.598
10 HA ASP 2 HA ASP 2 40.877 16.808 24.075
11 HB2 ASP 2 HB2 ASP 2 39.285 18.682 25.823
12 HB3 ASP 2 HB1 ASP 2 39.821 17.135 26.263
13 HA PRO 3 HA PRO 3 36.872 16.572 22.148
14 HB2 PRO 3 HB2 PRO 3 36.742 13.841 23.219
15 HB3 PRO 3 HB1 PRO 3 36.459 14.430 21.562
16 HG2 PRO 3 HG2 PRO 3 38.846 13.136 22.073
17 HG3 PRO 3 HG1 PRO 3 38.793 14.584 21.054
18 HD2 PRO 3 HD2 PRO 3 39.485 14.468 24.015
19 HD3 PRO 3 HD1 PRO 3 40.282 15.238 22.635
20 HA DPR 4 HA DPR 4 33.964 15.994 25.548
21 HB2 DPR 4 HB1 DPR 4 31.729 17.183 24.630
22 HB3 DPR 4 HB2 DPR 4 32.371 15.732 23.693
23 HG2 DPR 4 HG1 DPR 4 32.946 18.586 22.970
24 HG3 DPR 4 HG2 DPR 4 32.338 17.170 22.047
25 HD2 DPR 4 HD1 DPR 4 35.059 17.993 22.260
26 HD3 DPR 4 HD2 DPR 4 34.394 16.374 21.778
27 H LYS 5 H LYS 5 36.040 17.777 25.709
28 HA LYS 5 HA LYS 5 34.813 19.992 27.271
29 HB2 LYS 5 HB2 LYS 5 36.391 18.533 28.410
30 HB3 LYS 5 HB1 LYS 5 37.578 18.841 27.202
31 HG2 LYS 5 HG2 LYS 5 37.279 21.366 28.038
32 HG3 LYS 5 HG1 LYS 5 36.214 20.544 29.211
33 HD2 LYS 5 HD2 LYS 5 38.258 19.465 30.169
34 HD3 LYS 5 HD1 LYS 5 39.234 19.957 28.794
35 HE2 LYS 5 HE2 LYS 5 38.772 22.354 29.600
36 HE3 LYS 5 HE1 LYS 5 37.893 21.667 30.942
37 HZ1 LYS 5 HZ1 LYS 5 40.780 21.258 30.333
38 HZ2 LYS 5 HZ2 LYS 5 40.032 20.532 31.584
39 HZ3 LYS 5 HZ3 LYS 5 40.214 22.156 31.528
40 H DTH 6 H DTH 6 37.298 19.801 24.471
41 HA DTH 6 HA DTH 6 36.668 22.612 24.119
42 HB DTH 6 HB DTH 6 36.464 20.491 21.956
43 HG21 DTH 6 1HG2 DTH 6 34.223 21.971 23.481
44 HG22 DTH 6 2HG2 DTH 6 34.464 20.232 23.387
45 HG23 DTH 6 3HG2 DTH 6 33.922 21.052 22.040
46 HG1 DTH 6 HG1 DTH 6 35.683 23.171 22.041
47 H DAS 7 H DAS 7 38.062 23.308 22.038
48 HA DAS 7 HA DAS 7 40.773 23.291 22.799
49 HB2 DAS 7 HB1 DAS 7 39.468 24.628 21.025
50 HB3 DAS 7 HB2 DAS 7 39.980 23.379 19.881
Start of MODEL 13
1 H1 GLN 1 H1 GLN 1 42.115 21.307 22.828
2 HA GLN 1 HA GLN 1 41.395 19.679 20.459
3 HB2 GLN 1 HB2 GLN 1 44.142 19.774 21.788
4 HB3 GLN 1 HB1 GLN 1 43.824 18.732 20.443
5 HG2 GLN 1 HG2 GLN 1 43.362 20.551 18.875
6 HG3 GLN 1 HG1 GLN 1 43.710 21.692 20.198
7 HE21 GLN 1 1HE2 GLN 1 45.750 22.514 20.048
8 HE22 GLN 1 2HE2 GLN 1 47.016 21.572 19.330
9 H ASP 2 H ASP 2 40.453 19.634 23.238
10 HA ASP 2 HA ASP 2 40.954 16.788 23.911
11 HB2 ASP 2 HB2 ASP 2 39.833 18.808 25.886
12 HB3 ASP 2 HB1 ASP 2 40.319 17.048 26.054
13 HA PRO 3 HA PRO 3 36.893 16.406 22.485
14 HB2 PRO 3 HB2 PRO 3 36.248 13.727 23.058
15 HB3 PRO 3 HB1 PRO 3 37.517 14.174 21.834
16 HG2 PRO 3 HG2 PRO 3 38.000 13.188 24.541
17 HG3 PRO 3 HG1 PRO 3 38.833 12.832 22.961
18 HD2 PRO 3 HD2 PRO 3 39.859 14.671 24.737
19 HD3 PRO 3 HD1 PRO 3 39.965 14.900 22.977
20 HA DPR 4 HA DPR 4 33.538 15.746 25.517
21 HB2 DPR 4 HB1 DPR 4 32.023 17.943 24.612
22 HB3 DPR 4 HB2 DPR 4 31.713 16.217 24.302
23 HG2 DPR 4 HG1 DPR 4 32.768 18.118 22.338
24 HG3 DPR 4 HG2 DPR 4 32.269 16.413 22.180
25 HD2 DPR 4 HD1 DPR 4 34.828 17.606 22.246
26 HD3 DPR 4 HD2 DPR 4 34.516 15.865 21.956
27 H LYS 5 H LYS 5 35.539 18.472 24.674
28 HA LYS 5 HA LYS 5 34.837 19.930 27.056
29 HB2 LYS 5 HB2 LYS 5 36.487 18.271 27.690
30 HB3 LYS 5 HB1 LYS 5 37.681 18.743 26.447
31 HG2 LYS 5 HG2 LYS 5 38.062 20.890 27.465
32 HG3 LYS 5 HG1 LYS 5 36.720 20.492 28.668
33 HD2 LYS 5 HD2 LYS 5 38.371 18.431 29.073
34 HD3 LYS 5 HD1 LYS 5 39.536 19.371 28.241
35 HE2 LYS 5 HE2 LYS 5 39.842 20.122 30.506
36 HE3 LYS 5 HE1 LYS 5 38.737 21.345 29.795
37 HZ1 LYS 5 HZ1 LYS 5 38.027 20.385 31.995
38 HZ2 LYS 5 HZ2 LYS 5 37.749 18.972 31.192
39 HZ3 LYS 5 HZ3 LYS 5 36.913 20.320 30.863
40 H DTH 6 H DTH 6 37.224 19.817 24.387
41 HA DTH 6 HA DTH 6 36.580 22.703 23.787
42 HB DTH 6 HB DTH 6 36.335 22.386 21.643
43 HG21 DTH 6 1HG2 DTH 6 36.897 19.469 21.851
44 HG22 DTH 6 2HG2 DTH 6 38.132 20.593 21.320
45 HG23 DTH 6 3HG2 DTH 6 36.618 20.412 20.292
46 HG1 DTH 6 HG1 DTH 6 34.586 21.462 22.840
47 H DAS 7 H DAS 7 38.392 23.665 22.350
48 HA DAS 7 HA DAS 7 41.084 23.130 23.254
49 HB2 DAS 7 HB1 DAS 7 40.079 25.212 22.385
50 HB3 DAS 7 HB2 DAS 7 40.089 24.505 20.770
Start of MODEL 14
1 H1 GLN 1 H1 GLN 1 42.277 21.429 22.897
2 HA GLN 1 HA GLN 1 41.991 19.665 20.568
3 HB2 GLN 1 HB2 GLN 1 44.228 19.773 22.483
4 HB3 GLN 1 HB1 GLN 1 44.159 18.776 20.965
5 HG2 GLN 1 HG2 GLN 1 44.212 21.055 19.761
6 HG3 GLN 1 HG1 GLN 1 44.435 21.846 21.262
7 HE21 GLN 1 1HE2 GLN 1 46.165 22.356 19.376
8 HE22 GLN 1 2HE2 GLN 1 47.640 21.489 19.556
9 H ASP 2 H ASP 2 40.510 19.672 23.245
10 HA ASP 2 HA ASP 2 40.849 16.945 23.920
11 HB2 ASP 2 HB2 ASP 2 39.890 19.119 25.628
12 HB3 ASP 2 HB1 ASP 2 39.839 17.497 26.193
13 HA PRO 3 HA PRO 3 36.754 16.313 22.058
14 HB2 PRO 3 HB2 PRO 3 37.098 13.782 23.509
15 HB3 PRO 3 HB1 PRO 3 36.433 14.020 21.875
16 HG2 PRO 3 HG2 PRO 3 39.041 13.261 22.117
17 HG3 PRO 3 HG1 PRO 3 38.600 14.463 20.900
18 HD2 PRO 3 HD2 PRO 3 40.011 14.970 23.410
19 HD3 PRO 3 HD1 PRO 3 40.028 15.954 22.011
20 HA DPR 4 HA DPR 4 33.942 15.744 25.729
21 HB2 DPR 4 HB1 DPR 4 31.768 17.373 24.994
22 HB3 DPR 4 HB2 DPR 4 31.998 15.748 24.409
23 HG2 DPR 4 HG1 DPR 4 32.904 18.475 23.255
24 HG3 DPR 4 HG2 DPR 4 32.110 17.157 22.365
25 HD2 DPR 4 HD1 DPR 4 34.771 17.602 22.261
26 HD3 DPR 4 HD2 DPR 4 34.150 15.917 22.175
27 H LYS 5 H LYS 5 35.940 18.072 25.208
28 HA LYS 5 HA LYS 5 34.855 19.989 27.170
29 HB2 LYS 5 HB2 LYS 5 36.718 18.465 28.072
30 HB3 LYS 5 HB1 LYS 5 37.714 18.970 26.739
31 HG2 LYS 5 HG2 LYS 5 37.936 21.028 27.530
32 HG3 LYS 5 HG1 LYS 5 36.559 20.938 28.784
33 HD2 LYS 5 HD2 LYS 5 39.323 19.616 28.809
34 HD3 LYS 5 HD1 LYS 5 38.770 20.925 29.731
35 HE2 LYS 5 HE2 LYS 5 37.029 19.386 30.812
36 HE3 LYS 5 HE1 LYS 5 37.847 18.039 29.987
37 HZ1 LYS 5 HZ1 LYS 5 39.859 18.827 31.035
38 HZ2 LYS 5 HZ2 LYS 5 38.884 18.416 32.255
39 HZ3 LYS 5 HZ3 LYS 5 39.110 19.947 31.881
40 H DTH 6 H DTH 6 37.207 19.887 24.427
41 HA DTH 6 HA DTH 6 36.574 22.717 23.857
42 HB DTH 6 HB DTH 6 36.293 22.372 21.569
43 HG21 DTH 6 1HG2 DTH 6 36.705 19.415 22.087
44 HG22 DTH 6 2HG2 DTH 6 37.704 20.457 21.020
45 HG23 DTH 6 3HG2 DTH 6 36.055 20.166 20.571
46 HG1 DTH 6 HG1 DTH 6 34.305 21.855 22.749
47 H DAS 7 H DAS 7 38.200 23.314 22.169
48 HA DAS 7 HA DAS 7 40.873 23.019 23.174
49 HB2 DAS 7 HB1 DAS 7 40.122 24.893 21.708
50 HB3 DAS 7 HB2 DAS 7 40.348 23.736 20.329
Start of MODEL 15
1 H1 GLN 1 H1 GLN 1 42.176 21.465 22.963
2 HA GLN 1 HA GLN 1 42.160 19.568 20.700
3 HB2 GLN 1 HB2 GLN 1 44.201 19.861 22.973
4 HB3 GLN 1 HB1 GLN 1 44.264 18.754 21.515
5 HG2 GLN 1 HG2 GLN 1 44.546 20.697 20.032
6 HG3 GLN 1 HG1 GLN 1 44.207 21.817 21.305
7 HE21 GLN 1 1HE2 GLN 1 46.195 22.853 21.015
8 HE22 GLN 1 2HE2 GLN 1 47.734 21.950 21.280
9 H ASP 2 H ASP 2 40.702 19.681 23.366
10 HA ASP 2 HA ASP 2 40.537 16.779 23.999
11 HB2 ASP 2 HB2 ASP 2 39.906 19.116 25.685
12 HB3 ASP 2 HB1 ASP 2 39.744 17.433 26.259
13 HA PRO 3 HA PRO 3 36.398 17.045 22.264
14 HB2 PRO 3 HB2 PRO 3 36.882 14.075 22.482
15 HB3 PRO 3 HB1 PRO 3 36.187 15.067 21.089
16 HG2 PRO 3 HG2 PRO 3 38.827 14.146 20.811
17 HG3 PRO 3 HG1 PRO 3 38.187 15.629 20.261
18 HD2 PRO 3 HD2 PRO 3 39.676 15.057 22.845
19 HD3 PRO 3 HD1 PRO 3 39.965 16.307 21.586
20 HA DPR 4 HA DPR 4 34.090 15.515 25.848
21 HB2 DPR 4 HB1 DPR 4 32.335 17.666 24.987
22 HB3 DPR 4 HB2 DPR 4 31.910 15.920 25.339
23 HG2 DPR 4 HG1 DPR 4 31.853 16.832 22.754
24 HG3 DPR 4 HG2 DPR 4 32.492 15.218 23.115
25 HD2 DPR 4 HD1 DPR 4 33.983 17.739 22.714
26 HD3 DPR 4 HD2 DPR 4 34.324 16.168 21.996
27 H LYS 5 H LYS 5 36.030 18.122 25.076
28 HA LYS 5 HA LYS 5 34.786 19.860 27.072
29 HB2 LYS 5 HB2 LYS 5 36.630 18.764 28.239
30 HB3 LYS 5 HB1 LYS 5 37.704 18.993 26.795
31 HG2 LYS 5 HG2 LYS 5 37.868 21.268 27.133
32 HG3 LYS 5 HG1 LYS 5 36.744 21.193 28.535
33 HD2 LYS 5 HD2 LYS 5 38.532 19.445 29.449
34 HD3 LYS 5 HD1 LYS 5 39.490 19.972 28.086
35 HE2 LYS 5 HE2 LYS 5 38.732 21.546 30.507
36 HE3 LYS 5 HE1 LYS 5 40.306 20.952 30.073
37 HZ1 LYS 5 HZ1 LYS 5 40.067 23.246 29.602
38 HZ2 LYS 5 HZ2 LYS 5 38.737 23.000 28.624
39 HZ3 LYS 5 HZ3 LYS 5 40.213 22.518 28.116
40 H DTH 6 H DTH 6 37.253 19.791 24.437
41 HA DTH 6 HA DTH 6 36.517 22.640 23.908
42 HB DTH 6 HB DTH 6 36.398 22.205 21.493
43 HG21 DTH 6 1HG2 DTH 6 36.159 19.997 20.526
44 HG22 DTH 6 2HG2 DTH 6 35.977 19.313 22.184
45 HG23 DTH 6 3HG2 DTH 6 37.538 19.857 21.665
46 HG1 DTH 6 HG1 DTH 6 34.494 22.430 22.103
47 H DAS 7 H DAS 7 38.299 23.389 21.931
48 HA DAS 7 HA DAS 7 40.889 23.107 22.926
49 HB2 DAS 7 HB1 DAS 7 40.259 24.864 21.558
50 HB3 DAS 7 HB2 DAS 7 39.803 23.864 20.224
Start of MODEL 16
1 H1 GLN 1 H1 GLN 1 41.871 21.327 23.313
2 HA GLN 1 HA GLN 1 42.034 19.740 20.748
3 HB2 GLN 1 HB2 GLN 1 44.248 20.154 22.682
4 HB3 GLN 1 HB1 GLN 1 44.220 19.202 21.178
5 HG2 GLN 1 HG2 GLN 1 43.838 22.150 21.406
6 HG3 GLN 1 HG1 GLN 1 45.337 21.459 20.851
7 HE21 GLN 1 1HE2 GLN 1 43.305 23.482 19.636
8 HE22 GLN 1 2HE2 GLN 1 43.089 22.728 18.042
9 H ASP 2 H ASP 2 40.327 19.415 23.516
10 HA ASP 2 HA ASP 2 40.860 16.576 23.431
11 HB2 ASP 2 HB2 ASP 2 40.067 18.010 25.993
12 HB3 ASP 2 HB1 ASP 2 40.397 16.367 25.702
13 HA PRO 3 HA PRO 3 36.726 16.551 22.387
14 HB2 PRO 3 HB2 PRO 3 35.926 13.939 22.624
15 HB3 PRO 3 HB1 PRO 3 37.116 14.616 21.478
16 HG2 PRO 3 HG2 PRO 3 37.643 13.260 24.205
17 HG3 PRO 3 HG1 PRO 3 38.334 12.884 22.586
18 HD2 PRO 3 HD2 PRO 3 39.480 14.613 24.508
19 HD3 PRO 3 HD1 PRO 3 39.921 14.660 22.806
20 HA DPR 4 HA DPR 4 33.747 16.117 25.721
21 HB2 DPR 4 HB1 DPR 4 31.756 17.408 24.585
22 HB3 DPR 4 HB2 DPR 4 32.159 15.651 24.359
23 HG2 DPR 4 HG1 DPR 4 32.778 18.078 22.722
24 HG3 DPR 4 HG2 DPR 4 32.115 16.612 22.013
25 HD2 DPR 4 HD1 DPR 4 34.836 17.073 21.844
26 HD3 DPR 4 HD2 DPR 4 34.294 15.511 22.245
27 H LYS 5 H LYS 5 35.947 17.695 25.790
28 HA LYS 5 HA LYS 5 35.159 20.036 27.361
29 HB2 LYS 5 HB2 LYS 5 37.902 19.038 26.432
30 HB3 LYS 5 HB1 LYS 5 37.702 20.525 27.232
31 HG2 LYS 5 HG2 LYS 5 36.866 19.830 29.200
32 HG3 LYS 5 HG1 LYS 5 36.347 18.206 28.656
33 HD2 LYS 5 HD2 LYS 5 38.770 17.571 28.583
34 HD3 LYS 5 HD1 LYS 5 39.175 19.185 29.271
35 HE2 LYS 5 HE2 LYS 5 37.690 18.758 31.090
36 HE3 LYS 5 HE1 LYS 5 37.523 17.075 30.619
37 HZ1 LYS 5 HZ1 LYS 5 39.814 16.775 30.805
38 HZ2 LYS 5 HZ2 LYS 5 39.194 17.174 32.287
39 HZ3 LYS 5 HZ3 LYS 5 40.021 18.319 31.405
40 H DTH 6 H DTH 6 36.902 19.620 24.242
41 HA DTH 6 HA DTH 6 36.333 22.460 23.576
42 HB DTH 6 HB DTH 6 36.542 21.897 21.331
43 HG21 DTH 6 1HG2 DTH 6 37.739 19.488 21.872
44 HG22 DTH 6 2HG2 DTH 6 36.652 19.583 20.519
45 HG23 DTH 6 3HG2 DTH 6 36.069 18.851 21.977
46 HG1 DTH 6 HG1 DTH 6 34.700 21.917 22.455
47 H DAS 7 H DAS 7 38.101 23.263 21.855
48 HA DAS 7 HA DAS 7 40.607 23.249 23.153
49 HB2 DAS 7 HB1 DAS 7 39.556 25.093 21.773
50 HB3 DAS 7 HB2 DAS 7 39.839 24.016 20.373
Start of MODEL 17
1 H1 GLN 1 H1 GLN 1 41.762 21.266 23.123
2 HA GLN 1 HA GLN 1 42.293 19.600 20.752
3 HB2 GLN 1 HB2 GLN 1 43.961 20.144 23.251
4 HB3 GLN 1 HB1 GLN 1 44.293 19.055 21.929
5 HG2 GLN 1 HG2 GLN 1 43.996 22.081 21.561
6 HG3 GLN 1 HG1 GLN 1 45.509 21.224 21.545
7 HE21 GLN 1 1HE2 GLN 1 43.220 22.548 19.563
8 HE22 GLN 1 2HE2 GLN 1 43.898 21.688 18.132
9 H ASP 2 H ASP 2 40.265 19.508 23.353
10 HA ASP 2 HA ASP 2 40.817 16.705 24.118
11 HB2 ASP 2 HB2 ASP 2 39.618 18.608 26.086
12 HB3 ASP 2 HB1 ASP 2 40.044 16.942 26.234
13 HA PRO 3 HA PRO 3 36.605 16.763 21.997
14 HB2 PRO 3 HB2 PRO 3 37.242 13.951 22.669
15 HB3 PRO 3 HB1 PRO 3 36.318 14.580 21.279
16 HG2 PRO 3 HG2 PRO 3 38.859 13.766 21.029
17 HG3 PRO 3 HG1 PRO 3 38.386 15.347 20.301
18 HD2 PRO 3 HD2 PRO 3 39.604 14.677 23.058
19 HD3 PRO 3 HD1 PRO 3 40.113 16.034 22.005
20 HA DPR 4 HA DPR 4 34.025 15.700 25.412
21 HB2 DPR 4 HB1 DPR 4 32.098 17.803 25.275
22 HB3 DPR 4 HB2 DPR 4 31.990 16.224 24.491
23 HG2 DPR 4 HG1 DPR 4 32.987 18.871 23.407
24 HG3 DPR 4 HG2 DPR 4 32.099 17.654 22.480
25 HD2 DPR 4 HD1 DPR 4 34.735 17.751 22.115
26 HD3 DPR 4 HD2 DPR 4 33.894 16.209 22.139
27 H LYS 5 H LYS 5 35.740 18.257 24.931
28 HA LYS 5 HA LYS 5 34.918 19.973 27.178
29 HB2 LYS 5 HB2 LYS 5 36.546 18.616 28.280
30 HB3 LYS 5 HB1 LYS 5 37.782 18.870 27.121
31 HG2 LYS 5 HG2 LYS 5 37.926 21.227 27.699
32 HG3 LYS 5 HG1 LYS 5 36.447 21.273 28.580
33 HD2 LYS 5 HD2 LYS 5 38.657 19.604 29.687
34 HD3 LYS 5 HD1 LYS 5 38.366 21.302 30.120
35 HE2 LYS 5 HE2 LYS 5 35.969 20.745 30.672
36 HE3 LYS 5 HE1 LYS 5 36.427 19.106 30.372
37 HZ1 LYS 5 HZ1 LYS 5 37.992 19.283 32.246
38 HZ2 LYS 5 HZ2 LYS 5 36.495 19.624 32.717
39 HZ3 LYS 5 HZ3 LYS 5 37.581 20.848 32.517
40 H DTH 6 H DTH 6 37.344 19.755 24.553
41 HA DTH 6 HA DTH 6 36.544 22.516 23.840
42 HB DTH 6 HB DTH 6 36.375 21.738 21.491
43 HG21 DTH 6 1HG2 DTH 6 36.230 18.950 22.523
44 HG22 DTH 6 2HG2 DTH 6 37.523 19.686 21.509
45 HG23 DTH 6 3HG2 DTH 6 35.887 19.585 20.839
46 HG1 DTH 6 HG1 DTH 6 34.277 21.813 22.025
47 H DAS 7 H DAS 7 38.054 23.448 22.064
48 HA DAS 7 HA DAS 7 40.699 23.284 22.823
49 HB2 DAS 7 HB1 DAS 7 39.818 25.008 21.512
50 HB3 DAS 7 HB2 DAS 7 39.599 24.013 20.108
Start of MODEL 18
1 H1 GLN 1 H1 GLN 1 42.065 21.444 22.775
2 HA GLN 1 HA GLN 1 42.046 19.614 20.487
3 HB2 GLN 1 HB2 GLN 1 43.513 19.237 23.053
4 HB3 GLN 1 HB1 GLN 1 43.827 18.549 21.448
5 HG2 GLN 1 HG2 GLN 1 44.401 21.443 21.929
6 HG3 GLN 1 HG1 GLN 1 45.543 20.141 22.244
7 HE21 GLN 1 1HE2 GLN 1 43.519 21.976 19.951
8 HE22 GLN 1 2HE2 GLN 1 44.379 21.434 18.519
9 H ASP 2 H ASP 2 40.763 19.606 23.716
10 HA ASP 2 HA ASP 2 40.918 16.675 23.947
11 HB2 ASP 2 HB2 ASP 2 39.767 18.717 25.944
12 HB3 ASP 2 HB1 ASP 2 40.368 16.943 26.153
13 HA PRO 3 HA PRO 3 36.985 16.268 22.232
14 HB2 PRO 3 HB2 PRO 3 36.281 13.676 22.584
15 HB3 PRO 3 HB1 PRO 3 37.709 14.220 21.573
16 HG2 PRO 3 HG2 PRO 3 37.812 13.265 24.402
17 HG3 PRO 3 HG1 PRO 3 38.745 12.675 22.932
18 HD2 PRO 3 HD2 PRO 3 39.893 14.518 24.585
19 HD3 PRO 3 HD1 PRO 3 39.980 14.697 22.879
20 HA DPR 4 HA DPR 4 33.703 15.763 25.303
21 HB2 DPR 4 HB1 DPR 4 32.771 18.337 23.993
22 HB3 DPR 4 HB2 DPR 4 31.838 16.983 24.613
23 HG2 DPR 4 HG1 DPR 4 32.591 17.473 21.918
24 HG3 DPR 4 HG2 DPR 4 32.400 15.790 22.361
25 HD2 DPR 4 HD1 DPR 4 34.959 17.436 22.073
26 HD3 DPR 4 HD2 DPR 4 34.706 15.717 21.854
27 H LYS 5 H LYS 5 36.182 18.148 25.027
28 HA LYS 5 HA LYS 5 34.997 19.899 27.214
29 HB2 LYS 5 HB2 LYS 5 36.986 18.488 27.796
30 HB3 LYS 5 HB1 LYS 5 37.798 19.161 26.371
31 HG2 LYS 5 HG2 LYS 5 37.773 21.363 27.247
32 HG3 LYS 5 HG1 LYS 5 36.817 21.071 28.621
33 HD2 LYS 5 HD2 LYS 5 38.462 19.526 29.508
34 HD3 LYS 5 HD1 LYS 5 39.572 20.071 28.311
35 HE2 LYS 5 HE2 LYS 5 39.586 22.406 28.939
36 HE3 LYS 5 HE1 LYS 5 38.469 22.014 30.245
37 HZ1 LYS 5 HZ1 LYS 5 41.175 21.033 29.862
38 HZ2 LYS 5 HZ2 LYS 5 40.210 20.537 31.152
39 HZ3 LYS 5 HZ3 LYS 5 40.699 22.116 31.002
40 H DTH 6 H DTH 6 37.254 20.100 24.481
41 HA DTH 6 HA DTH 6 36.535 23.027 24.042
42 HB DTH 6 HB DTH 6 36.958 21.219 21.683
43 HG21 DTH 6 1HG2 DTH 6 34.971 20.260 22.896
44 HG22 DTH 6 2HG2 DTH 6 34.389 21.021 21.349
45 HG23 DTH 6 3HG2 DTH 6 34.262 21.796 22.956
46 HG1 DTH 6 HG1 DTH 6 35.971 22.917 20.793
47 H DAS 7 H DAS 7 38.278 23.629 22.093
48 HA DAS 7 HA DAS 7 40.905 23.183 22.965
49 HB2 DAS 7 HB1 DAS 7 40.070 25.026 21.427
50 HB3 DAS 7 HB2 DAS 7 39.814 23.925 20.139
Start of MODEL 19
1 H1 GLN 1 H1 GLN 1 41.863 21.312 23.455
2 HA GLN 1 HA GLN 1 42.631 20.010 20.875
3 HB2 GLN 1 HB2 GLN 1 44.002 19.965 23.417
4 HB3 GLN 1 HB1 GLN 1 44.356 19.097 21.905
5 HG2 GLN 1 HG2 GLN 1 44.575 21.228 20.773
6 HG3 GLN 1 HG1 GLN 1 44.323 22.195 22.205
7 HE21 GLN 1 1HE2 GLN 1 46.210 23.013 21.305
8 HE22 GLN 1 2HE2 GLN 1 47.823 22.366 21.590
9 H ASP 2 H ASP 2 40.422 19.560 23.466
10 HA ASP 2 HA ASP 2 40.607 16.586 23.233
11 HB2 ASP 2 HB2 ASP 2 39.674 18.274 25.585
12 HB3 ASP 2 HB1 ASP 2 39.812 16.453 25.457
13 HA PRO 3 HA PRO 3 36.404 16.215 22.127
14 HB2 PRO 3 HB2 PRO 3 35.697 13.868 22.906
15 HB3 PRO 3 HB1 PRO 3 36.742 14.182 21.474
16 HG2 PRO 3 HG2 PRO 3 37.803 13.347 24.107
17 HG3 PRO 3 HG1 PRO 3 38.252 12.790 22.496
18 HD2 PRO 3 HD2 PRO 3 39.691 14.824 23.864
19 HD3 PRO 3 HD1 PRO 3 39.576 14.726 22.104
20 HA DPR 4 HA DPR 4 34.277 16.000 26.246
21 HB2 DPR 4 HB1 DPR 4 31.756 16.566 25.508
22 HB3 DPR 4 HB2 DPR 4 32.580 15.152 24.780
23 HG2 DPR 4 HG1 DPR 4 32.433 17.848 23.570
24 HG3 DPR 4 HG2 DPR 4 31.768 16.299 22.931
25 HD2 DPR 4 HD1 DPR 4 34.432 17.111 22.362
26 HD3 DPR 4 HD2 DPR 4 33.898 15.437 22.538
27 H LYS 5 H LYS 5 36.160 17.864 25.958
28 HA LYS 5 HA LYS 5 34.848 20.239 27.023
29 HB2 LYS 5 HB2 LYS 5 36.842 19.235 28.171
30 HB3 LYS 5 HB1 LYS 5 37.814 19.632 26.727
31 HG2 LYS 5 HG2 LYS 5 37.583 22.015 27.121
32 HG3 LYS 5 HG1 LYS 5 36.364 21.654 28.434
33 HD2 LYS 5 HD2 LYS 5 38.084 20.556 29.778
34 HD3 LYS 5 HD1 LYS 5 39.242 20.735 28.398
35 HE2 LYS 5 HE2 LYS 5 39.102 23.049 28.396
36 HE3 LYS 5 HE1 LYS 5 37.856 23.144 29.648
37 HZ1 LYS 5 HZ1 LYS 5 40.486 21.917 29.992
38 HZ2 LYS 5 HZ2 LYS 5 39.352 22.283 31.215
39 HZ3 LYS 5 HZ3 LYS 5 40.230 23.407 30.606
40 H DTH 6 H DTH 6 37.112 19.665 24.234
41 HA DTH 6 HA DTH 6 36.479 22.406 23.327
42 HB DTH 6 HB DTH 6 35.712 20.111 21.966
43 HG21 DTH 6 1HG2 DTH 6 35.956 21.319 19.814
44 HG22 DTH 6 2HG2 DTH 6 37.404 22.153 20.429
45 HG23 DTH 6 3HG2 DTH 6 35.795 22.596 21.017
46 HG1 DTH 6 HG1 DTH 6 37.655 19.159 21.952
47 H DAS 7 H DAS 7 38.192 23.416 22.272
48 HA DAS 7 HA DAS 7 40.818 23.337 23.293
49 HB2 DAS 7 HB1 DAS 7 39.672 25.187 22.052
50 HB3 DAS 7 HB2 DAS 7 39.734 24.258 20.614
Start of MODEL 20
1 H1 GLN 1 H1 GLN 1 42.108 21.330 23.044
2 HA GLN 1 HA GLN 1 41.910 19.828 20.443
3 HB2 GLN 1 HB2 GLN 1 44.104 21.032 21.243
4 HB3 GLN 1 HB1 GLN 1 44.304 19.512 22.172
5 HG2 GLN 1 HG2 GLN 1 45.456 19.587 20.107
6 HG3 GLN 1 HG1 GLN 1 44.248 18.240 20.108
7 HE21 GLN 1 1HE2 GLN 1 42.940 18.061 18.393
8 HE22 GLN 1 2HE2 GLN 1 42.741 19.409 17.175
9 H ASP 2 H ASP 2 40.489 19.558 23.342
10 HA ASP 2 HA ASP 2 40.903 16.624 23.557
11 HB2 ASP 2 HB2 ASP 2 39.898 18.511 25.654
12 HB3 ASP 2 HB1 ASP 2 40.277 16.828 25.989
13 HA PRO 3 HA PRO 3 36.739 16.538 22.333
14 HB2 PRO 3 HB2 PRO 3 35.951 13.937 22.773
15 HB3 PRO 3 HB1 PRO 3 36.970 14.464 21.521
16 HG2 PRO 3 HG2 PRO 3 37.900 13.385 24.200
17 HG3 PRO 3 HG1 PRO 3 38.498 12.860 22.565
18 HD2 PRO 3 HD2 PRO 3 39.914 14.600 23.927
19 HD3 PRO 3 HD1 PRO 3 39.697 14.806 22.213
20 HA DPR 4 HA DPR 4 33.963 16.274 26.066
21 HB2 DPR 4 HB1 DPR 4 31.798 17.041 24.835
22 HB3 DPR 4 HB2 DPR 4 32.330 15.329 24.599
23 HG2 DPR 4 HG1 DPR 4 32.523 17.776 22.733
24 HG3 DPR 4 HG2 DPR 4 32.169 16.111 22.404
25 HD2 DPR 4 HD1 DPR 4 34.660 17.173 22.146
26 HD3 DPR 4 HD2 DPR 4 34.297 15.455 22.258
27 H LYS 5 H LYS 5 35.918 17.845 26.123
28 HA LYS 5 HA LYS 5 34.713 20.138 27.241
29 HB2 LYS 5 HB2 LYS 5 36.547 19.267 28.253
30 HB3 LYS 5 HB1 LYS 5 37.560 19.366 26.799
31 HG2 LYS 5 HG2 LYS 5 37.640 21.918 27.163
32 HG3 LYS 5 HG1 LYS 5 36.541 21.706 28.448
33 HD2 LYS 5 HD2 LYS 5 38.123 20.130 29.609
34 HD3 LYS 5 HD1 LYS 5 39.247 20.392 28.239
35 HE2 LYS 5 HE2 LYS 5 38.341 22.800 29.817
36 HE3 LYS 5 HE1 LYS 5 39.682 21.796 30.375
37 HZ1 LYS 5 HZ1 LYS 5 40.674 23.389 29.019
38 HZ2 LYS 5 HZ2 LYS 5 39.478 23.561 28.014
39 HZ3 LYS 5 HZ3 LYS 5 40.399 22.196 27.934
40 H DTH 6 H DTH 6 36.876 19.639 24.544
41 HA DTH 6 HA DTH 6 36.291 22.227 23.329
42 HB DTH 6 HB DTH 6 35.545 20.117 22.118
43 HG21 DTH 6 1HG2 DTH 6 37.297 21.801 20.387
44 HG22 DTH 6 2HG2 DTH 6 35.708 22.416 21.163
45 HG23 DTH 6 3HG2 DTH 6 35.638 21.076 20.110
46 HG1 DTH 6 HG1 DTH 6 37.537 19.031 22.274
47 H DAS 7 H DAS 7 38.194 23.225 22.124
48 HA DAS 7 HA DAS 7 40.642 23.081 23.572
49 HB2 DAS 7 HB1 DAS 7 39.681 24.954 22.825
50 HB3 DAS 7 HB2 DAS 7 39.933 24.500 21.080