Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
593520 | 2rvd RC | 20009 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 H TYR 1 1.807 0.001 0.855
2 HA TYR 1 HA TYR 1 1.965 0.966 -1.709
3 HB2 TYR 1 2HB TYR 1 3.960 0.634 -0.406
4 HB3 TYR 1 3HB TYR 1 3.694 -1.105 -0.348
5 HD1 TYR 1 HD1 TYR 1 4.408 1.689 -2.697
6 HD2 TYR 1 HD2 TYR 1 4.626 -2.499 -1.979
7 HE1 TYR 1 HE1 TYR 1 5.777 1.420 -4.722
8 HE2 TYR 1 HE2 TYR 1 5.998 -2.780 -4.002
9 HH TYR 1 HH TYR 1 6.829 -1.786 -5.815
10 H TYR 2 H TYR 2 0.674 0.300 -3.317
11 HA TYR 2 HA TYR 2 -0.433 -2.197 -3.704
12 HB2 TYR 2 2HB TYR 2 -1.045 -0.095 -4.925
13 HB3 TYR 2 3HB TYR 2 0.393 -0.310 -5.916
14 HD1 TYR 2 HD1 TYR 2 -2.510 -2.391 -4.791
15 HD2 TYR 2 HD2 TYR 2 0.035 -1.224 -7.995
16 HE1 TYR 2 HE1 TYR 2 -3.788 -3.830 -6.322
17 HE2 TYR 2 HE2 TYR 2 -1.237 -2.659 -9.535
18 HH TYR 2 HH TYR 2 -2.763 -4.889 -9.135
19 H ASP 3 H ASP 3 0.100 -4.006 -4.917
20 HA ASP 3 HA ASP 3 2.957 -4.248 -5.600
21 HB2 ASP 3 2HB ASP 3 2.115 -5.667 -3.694
22 HB3 ASP 3 3HB ASP 3 1.089 -6.503 -4.856
23 HA PRO 4 HA PRO 4 0.538 -4.650 -9.544
24 HB2 PRO 4 2HB PRO 4 2.206 -3.080 -11.000
25 HB3 PRO 4 3HB PRO 4 0.860 -2.433 -10.054
26 HG2 PRO 4 2HG PRO 4 3.770 -2.562 -9.365
27 HG3 PRO 4 3HG PRO 4 2.621 -1.232 -9.126
28 HD2 PRO 4 2HD PRO 4 3.350 -2.905 -7.126
29 HD3 PRO 4 3HD PRO 4 1.735 -2.174 -7.219
30 H GLU 5 H GLU 5 3.783 -5.209 -8.514
31 HA GLU 5 HA GLU 5 4.907 -6.289 -10.840
32 HB2 GLU 5 2HB GLU 5 6.273 -5.753 -8.911
33 HB3 GLU 5 3HB GLU 5 5.432 -6.953 -7.940
34 HG2 GLU 5 2HG GLU 5 6.526 -8.707 -8.900
35 HG3 GLU 5 3HG GLU 5 6.785 -7.857 -10.422
36 H THR 6 H THR 6 3.643 -8.122 -8.052
37 HA THR 6 HA THR 6 3.427 -10.520 -9.632
38 HB THR 6 HB THR 6 2.485 -9.972 -6.810
39 HG1 THR 6 HG1 THR 6 4.778 -11.436 -7.631
40 HG21 THR 6 3HG2 THR 6 2.202 -12.270 -8.582
41 HG22 THR 6 1HG2 THR 6 1.394 -11.915 -7.057
42 HG23 THR 6 2HG2 THR 6 2.987 -12.670 -7.055
43 H GLY 7 H GLY 7 0.985 -8.876 -7.611
44 HA2 GLY 7 2HA GLY 7 -0.962 -8.137 -9.227
45 HA3 GLY 7 3HA GLY 7 -1.095 -9.880 -9.406
46 H THR 8 H THR 8 -0.325 -8.038 -6.484
47 HA THR 8 HA THR 8 -2.867 -8.968 -5.319
48 HB THR 8 HB THR 8 -0.263 -8.760 -3.801
49 HG1 THR 8 HG1 THR 8 -0.338 -11.085 -3.893
50 HG21 THR 8 3HG2 THR 8 -3.053 -9.585 -3.122
51 HG22 THR 8 1HG2 THR 8 -1.922 -8.592 -2.204
52 HG23 THR 8 2HG2 THR 8 -1.699 -10.339 -2.282
53 H TRP 9 H TRP 9 -4.088 -7.414 -4.470
54 HA TRP 9 HA TRP 9 -3.280 -4.694 -4.549
55 HB2 TRP 9 2HB TRP 9 -5.697 -6.038 -4.418
56 HB3 TRP 9 3HB TRP 9 -5.593 -5.239 -2.851
57 HD1 TRP 9 HD1 TRP 9 -6.987 -4.614 -6.089
58 HE1 TRP 9 HE1 TRP 9 -7.250 -2.099 -6.572
59 HE3 TRP 9 HE3 TRP 9 -3.950 -2.762 -2.418
60 HZ2 TRP 9 HZ2 TRP 9 -6.295 0.346 -5.533
61 HZ3 TRP 9 HZ3 TRP 9 -3.678 -0.324 -2.231
62 HH2 TRP 9 HH2 TRP 9 -4.827 1.196 -3.757
63 H TYR 10 H TYR 10 -1.576 -4.234 -3.228
64 HA TYR 10 HA TYR 10 -1.908 -4.794 -0.357
65 HB2 TYR 10 2HB TYR 10 0.467 -4.657 -2.144
66 HB3 TYR 10 3HB TYR 10 0.669 -4.096 -0.488
67 HD1 TYR 10 HD2 TYR 10 0.174 -5.681 1.402
68 HD2 TYR 10 HD1 TYR 10 0.378 -6.964 -2.650
69 HE1 TYR 10 HE2 TYR 10 0.457 -8.005 2.158
70 HE2 TYR 10 HE1 TYR 10 0.661 -9.291 -1.905
71 HH TYR 10 HH TYR 10 0.422 -10.173 1.496
Start of MODEL 2
1 H1 TYR 1 H TYR 1 0.936 1.402 0.023
2 HA TYR 1 HA TYR 1 2.057 1.153 -2.412
3 HB2 TYR 1 2HB TYR 1 3.172 0.693 -0.212
4 HB3 TYR 1 3HB TYR 1 2.449 -0.912 -0.239
5 HD1 TYR 1 HD2 TYR 1 3.147 -2.550 -1.969
6 HD2 TYR 1 HD1 TYR 1 5.092 1.208 -1.531
7 HE1 TYR 1 HE2 TYR 1 5.052 -3.390 -3.279
8 HE2 TYR 1 HE1 TYR 1 7.002 0.380 -2.840
9 HH TYR 1 HH TYR 1 7.823 -1.303 -4.036
10 H TYR 2 H TYR 2 1.324 0.252 -4.212
11 HA TYR 2 HA TYR 2 -0.375 -2.108 -4.092
12 HB2 TYR 2 2HB TYR 2 -0.996 -0.193 -5.541
13 HB3 TYR 2 3HB TYR 2 0.466 -0.458 -6.485
14 HD1 TYR 2 HD1 TYR 2 -2.350 -2.572 -5.209
15 HD2 TYR 2 HD2 TYR 2 0.109 -1.487 -8.508
16 HE1 TYR 2 HE1 TYR 2 -3.565 -4.169 -6.632
17 HE2 TYR 2 HE2 TYR 2 -1.100 -3.080 -9.940
18 HH TYR 2 HH TYR 2 -2.738 -4.567 -10.066
19 H ASP 3 H ASP 3 0.055 -4.032 -5.222
20 HA ASP 3 HA ASP 3 2.911 -4.470 -5.805
21 HB2 ASP 3 2HB ASP 3 0.874 -6.119 -4.397
22 HB3 ASP 3 3HB ASP 3 2.058 -6.971 -5.385
23 HA PRO 4 HA PRO 4 0.560 -5.043 -9.770
24 HB2 PRO 4 2HB PRO 4 2.337 -3.667 -11.294
25 HB3 PRO 4 3HB PRO 4 1.005 -2.888 -10.432
26 HG2 PRO 4 2HG PRO 4 3.889 -3.107 -9.662
27 HG3 PRO 4 3HG PRO 4 2.804 -1.709 -9.549
28 HD2 PRO 4 2HD PRO 4 3.403 -3.263 -7.414
29 HD3 PRO 4 3HD PRO 4 1.830 -2.462 -7.601
30 H GLU 5 H GLU 5 3.739 -5.696 -8.609
31 HA GLU 5 HA GLU 5 4.771 -7.057 -10.868
32 HB2 GLU 5 2HB GLU 5 5.450 -7.132 -7.934
33 HB3 GLU 5 3HB GLU 5 6.290 -8.136 -9.108
34 HG2 GLU 5 2HG GLU 5 7.611 -6.206 -8.762
35 HG3 GLU 5 3HG GLU 5 6.871 -6.049 -10.354
36 H THR 6 H THR 6 2.636 -7.982 -8.286
37 HA THR 6 HA THR 6 2.617 -10.747 -9.310
38 HB THR 6 HB THR 6 1.405 -11.096 -6.971
39 HG1 THR 6 HG1 THR 6 2.582 -9.714 -5.429
40 HG21 THR 6 3HG2 THR 6 3.803 -11.793 -7.998
41 HG22 THR 6 1HG2 THR 6 3.281 -12.209 -6.366
42 HG23 THR 6 2HG2 THR 6 4.322 -10.810 -6.629
43 H GLY 7 H GLY 7 0.405 -8.599 -7.500
44 HA2 GLY 7 2HA GLY 7 -1.577 -7.893 -8.967
45 HA3 GLY 7 3HA GLY 7 -1.789 -9.625 -9.178
46 H THR 8 H THR 8 -1.235 -7.396 -6.447
47 HA THR 8 HA THR 8 -3.736 -8.144 -5.232
48 HB THR 8 HB THR 8 -1.349 -8.721 -3.519
49 HG1 THR 8 HG1 THR 8 -1.839 -11.016 -4.220
50 HG21 THR 8 3HG2 THR 8 -4.062 -8.677 -3.073
51 HG22 THR 8 1HG2 THR 8 -2.872 -9.509 -2.072
52 HG23 THR 8 2HG2 THR 8 -3.738 -10.391 -3.330
53 H TRP 9 H TRP 9 -4.390 -6.716 -3.641
54 HA TRP 9 HA TRP 9 -2.946 -4.211 -3.569
55 HB2 TRP 9 2HB TRP 9 -5.656 -5.140 -2.736
56 HB3 TRP 9 3HB TRP 9 -5.004 -3.692 -1.975
57 HD1 TRP 9 HD1 TRP 9 -6.757 -4.844 -5.050
58 HE1 TRP 9 HE1 TRP 9 -6.968 -2.905 -6.729
59 HE3 TRP 9 HE3 TRP 9 -3.561 -1.514 -2.851
60 HZ2 TRP 9 HZ2 TRP 9 -5.919 -0.307 -7.076
61 HZ3 TRP 9 HZ3 TRP 9 -3.220 0.676 -3.921
62 HH2 TRP 9 HH2 TRP 9 -4.375 1.264 -5.989
63 H TYR 10 H TYR 10 -1.084 -5.111 -2.411
64 HA TYR 10 HA TYR 10 -1.116 -6.233 0.112
65 HB2 TYR 10 2HB TYR 10 0.850 -4.594 -1.411
66 HB3 TYR 10 3HB TYR 10 1.143 -4.832 0.308
67 HD1 TYR 10 HD2 TYR 10 -0.234 -7.136 -2.288
68 HD2 TYR 10 HD1 TYR 10 2.878 -6.355 0.506
69 HE1 TYR 10 HE2 TYR 10 0.741 -9.343 -2.765
70 HE2 TYR 10 HE1 TYR 10 3.862 -8.559 0.035
71 HH TYR 10 HH TYR 10 3.583 -10.517 -1.005
Start of MODEL 3
1 H1 TYR 1 H TYR 1 0.839 0.449 -0.004
2 HA TYR 1 HA TYR 1 2.072 1.542 -2.447
3 HB2 TYR 1 2HB TYR 1 3.791 1.213 -0.762
4 HB3 TYR 1 3HB TYR 1 3.247 -0.438 -0.486
5 HD1 TYR 1 HD1 TYR 1 4.943 1.803 -2.871
6 HD2 TYR 1 HD2 TYR 1 3.907 -2.218 -1.942
7 HE1 TYR 1 HE1 TYR 1 6.507 1.008 -4.595
8 HE2 TYR 1 HE2 TYR 1 5.468 -3.024 -3.663
9 HH TYR 1 HH TYR 1 7.629 -0.838 -5.353
10 H TYR 2 H TYR 2 1.145 0.659 -4.164
11 HA TYR 2 HA TYR 2 -0.315 -1.785 -4.067
12 HB2 TYR 2 2HB TYR 2 -0.850 0.116 -5.596
13 HB3 TYR 2 3HB TYR 2 0.607 -0.258 -6.509
14 HD1 TYR 2 HD2 TYR 2 -2.392 -2.079 -5.202
15 HD2 TYR 2 HD1 TYR 2 0.307 -1.478 -8.436
16 HE1 TYR 2 HE2 TYR 2 -3.661 -3.695 -6.554
17 HE2 TYR 2 HE1 TYR 2 -0.955 -3.091 -9.798
18 HH TYR 2 HH TYR 2 -4.012 -4.393 -8.739
19 H ASP 3 H ASP 3 0.140 -3.757 -5.077
20 HA ASP 3 HA ASP 3 3.003 -4.223 -5.596
21 HB2 ASP 3 2HB ASP 3 0.936 -5.810 -4.158
22 HB3 ASP 3 3HB ASP 3 2.144 -6.701 -5.081
23 HA PRO 4 HA PRO 4 0.723 -4.964 -9.573
24 HB2 PRO 4 2HB PRO 4 2.532 -3.663 -11.124
25 HB3 PRO 4 3HB PRO 4 1.188 -2.842 -10.322
26 HG2 PRO 4 2HG PRO 4 4.057 -3.036 -9.490
27 HG3 PRO 4 3HG PRO 4 2.976 -1.631 -9.459
28 HD2 PRO 4 2HD PRO 4 3.531 -3.091 -7.248
29 HD3 PRO 4 3HD PRO 4 1.964 -2.295 -7.498
30 H GLU 5 H GLU 5 3.940 -5.500 -8.394
31 HA GLU 5 HA GLU 5 5.076 -6.917 -10.506
32 HB2 GLU 5 2HB GLU 5 5.449 -7.096 -7.524
33 HB3 GLU 5 3HB GLU 5 6.367 -8.106 -8.632
34 HG2 GLU 5 2HG GLU 5 6.370 -5.102 -8.489
35 HG3 GLU 5 3HG GLU 5 7.680 -6.195 -8.043
36 H THR 6 H THR 6 2.915 -7.996 -7.934
37 HA THR 6 HA THR 6 2.769 -10.638 -9.229
38 HB THR 6 HB THR 6 1.874 -9.997 -6.419
39 HG1 THR 6 HG1 THR 6 4.293 -9.840 -7.109
40 HG21 THR 6 3HG2 THR 6 0.864 -11.997 -7.071
41 HG22 THR 6 1HG2 THR 6 2.330 -12.534 -6.252
42 HG23 THR 6 2HG2 THR 6 2.264 -12.508 -8.014
43 H GLY 7 H GLY 7 0.929 -7.891 -8.077
44 HA2 GLY 7 2HA GLY 7 -1.120 -7.218 -9.054
45 HA3 GLY 7 3HA GLY 7 -1.377 -8.871 -9.593
46 H THR 8 H THR 8 -0.964 -7.111 -6.518
47 HA THR 8 HA THR 8 -3.490 -8.138 -5.555
48 HB THR 8 HB THR 8 -1.114 -8.747 -3.826
49 HG1 THR 8 HG1 THR 8 -0.790 -10.632 -4.835
50 HG21 THR 8 3HG2 THR 8 -3.974 -9.651 -3.998
51 HG22 THR 8 1HG2 THR 8 -3.130 -8.912 -2.638
52 HG23 THR 8 2HG2 THR 8 -2.768 -10.574 -3.103
53 H TRP 9 H TRP 9 -4.313 -6.980 -3.816
54 HA TRP 9 HA TRP 9 -3.027 -4.413 -3.359
55 HB2 TRP 9 2HB TRP 9 -5.761 -5.530 -2.833
56 HB3 TRP 9 3HB TRP 9 -5.234 -4.067 -2.005
57 HD1 TRP 9 HD1 TRP 9 -6.632 -5.269 -5.259
58 HE1 TRP 9 HE1 TRP 9 -6.846 -3.299 -6.901
59 HE3 TRP 9 HE3 TRP 9 -3.944 -1.768 -2.679
60 HZ2 TRP 9 HZ2 TRP 9 -5.988 -0.615 -7.079
61 HZ3 TRP 9 HZ3 TRP 9 -3.687 0.476 -3.655
62 HH2 TRP 9 HH2 TRP 9 -4.689 1.038 -5.810
63 H TYR 10 H TYR 10 -1.283 -5.024 -2.035
64 HA TYR 10 HA TYR 10 -1.654 -6.483 0.390
65 HB2 TYR 10 2HB TYR 10 0.594 -5.044 -0.924
66 HB3 TYR 10 3HB TYR 10 0.712 -5.313 0.811
67 HD1 TYR 10 HD2 TYR 10 0.379 -7.005 -2.460
68 HD2 TYR 10 HD1 TYR 10 1.220 -7.460 1.686
69 HE1 TYR 10 HE2 TYR 10 1.166 -9.298 -2.877
70 HE2 TYR 10 HE1 TYR 10 2.009 -9.754 1.280
71 HH TYR 10 HH TYR 10 1.600 -11.556 -0.485
Start of MODEL 4
1 H1 TYR 1 H TYR 1 0.111 0.680 0.248
2 HA TYR 1 HA TYR 1 1.722 1.086 -2.115
3 HB2 TYR 1 2HB TYR 1 2.535 0.151 0.130
4 HB3 TYR 1 3HB TYR 1 1.758 -1.354 -0.347
5 HD1 TYR 1 HD1 TYR 1 2.653 -2.695 -2.172
6 HD2 TYR 1 HD2 TYR 1 4.545 0.927 -0.985
7 HE1 TYR 1 HE1 TYR 1 4.660 -3.335 -3.441
8 HE2 TYR 1 HE2 TYR 1 6.557 0.297 -2.251
9 HH TYR 1 HH TYR 1 6.641 -2.630 -4.233
10 H TYR 2 H TYR 2 1.899 -0.381 -3.857
11 HA TYR 2 HA TYR 2 -0.381 -2.211 -4.191
12 HB2 TYR 2 2HB TYR 2 -0.766 -0.121 -5.461
13 HB3 TYR 2 3HB TYR 2 0.744 -0.385 -6.326
14 HD1 TYR 2 HD2 TYR 2 -2.222 -2.506 -5.473
15 HD2 TYR 2 HD1 TYR 2 0.408 -1.072 -8.494
16 HE1 TYR 2 HE2 TYR 2 -3.423 -3.849 -7.147
17 HE2 TYR 2 HE1 TYR 2 -0.787 -2.410 -10.177
18 HH TYR 2 HH TYR 2 -2.222 -4.303 -10.345
19 H ASP 3 H ASP 3 -0.022 -4.010 -5.565
20 HA ASP 3 HA ASP 3 2.831 -4.639 -5.953
21 HB2 ASP 3 2HB ASP 3 0.533 -6.255 -4.972
22 HB3 ASP 3 3HB ASP 3 1.738 -7.080 -5.956
23 HA PRO 4 HA PRO 4 0.837 -4.469 -10.147
24 HB2 PRO 4 2HB PRO 4 2.853 -3.069 -11.308
25 HB3 PRO 4 3HB PRO 4 1.507 -2.295 -10.464
26 HG2 PRO 4 2HG PRO 4 4.278 -2.868 -9.486
27 HG3 PRO 4 3HG PRO 4 3.297 -1.406 -9.275
28 HD2 PRO 4 2HD PRO 4 3.566 -3.273 -7.333
29 HD3 PRO 4 3HD PRO 4 2.084 -2.318 -7.541
30 H GLU 5 H GLU 5 3.827 -5.551 -8.819
31 HA GLU 5 HA GLU 5 4.901 -6.729 -11.183
32 HB2 GLU 5 2HB GLU 5 6.054 -6.117 -8.907
33 HB3 GLU 5 3HB GLU 5 5.554 -7.737 -8.440
34 HG2 GLU 5 2HG GLU 5 7.741 -7.973 -9.223
35 HG3 GLU 5 3HG GLU 5 6.720 -8.545 -10.541
36 H THR 6 H THR 6 3.018 -7.964 -8.447
37 HA THR 6 HA THR 6 2.661 -10.499 -9.899
38 HB THR 6 HB THR 6 1.984 -10.041 -6.998
39 HG1 THR 6 HG1 THR 6 4.424 -11.091 -8.033
40 HG21 THR 6 3HG2 THR 6 2.845 -12.628 -8.219
41 HG22 THR 6 1HG2 THR 6 1.193 -12.063 -8.466
42 HG23 THR 6 2HG2 THR 6 1.797 -12.336 -6.831
43 H GLY 7 H GLY 7 0.788 -8.426 -7.667
44 HA2 GLY 7 2HA GLY 7 -1.287 -7.475 -8.793
45 HA3 GLY 7 3HA GLY 7 -1.625 -9.150 -9.204
46 H THR 8 H THR 8 -0.872 -7.147 -6.355
47 HA THR 8 HA THR 8 -3.116 -8.391 -4.955
48 HB THR 8 HB THR 8 -0.461 -8.148 -3.555
49 HG1 THR 8 HG1 THR 8 -1.460 -10.605 -4.533
50 HG21 THR 8 3HG2 THR 8 -1.874 -8.516 -1.841
51 HG22 THR 8 1HG2 THR 8 -1.858 -10.186 -2.405
52 HG23 THR 8 2HG2 THR 8 -3.159 -9.102 -2.897
53 H TRP 9 H TRP 9 -3.797 -7.207 -3.060
54 HA TRP 9 HA TRP 9 -2.968 -4.381 -3.151
55 HB2 TRP 9 2HB TRP 9 -5.642 -5.675 -2.870
56 HB3 TRP 9 3HB TRP 9 -5.366 -4.147 -2.037
57 HD1 TRP 9 HD1 TRP 9 -6.418 -5.486 -5.305
58 HE1 TRP 9 HE1 TRP 9 -6.472 -3.621 -7.078
59 HE3 TRP 9 HE3 TRP 9 -3.861 -1.868 -2.754
60 HZ2 TRP 9 HZ2 TRP 9 -5.551 -0.967 -7.358
61 HZ3 TRP 9 HZ3 TRP 9 -3.490 0.305 -3.845
62 HH2 TRP 9 HH2 TRP 9 -4.318 0.745 -6.099
63 H TYR 10 H TYR 10 -1.359 -4.614 -1.574
64 HA TYR 10 HA TYR 10 -1.807 -5.830 0.949
65 HB2 TYR 10 2HB TYR 10 0.294 -3.976 -0.137
66 HB3 TYR 10 3HB TYR 10 0.268 -4.400 1.572
67 HD1 TYR 10 HD1 TYR 10 -0.050 -6.194 -1.700
68 HD2 TYR 10 HD2 TYR 10 1.698 -6.094 2.178
69 HE1 TYR 10 HE1 TYR 10 1.170 -8.269 -2.204
70 HE2 TYR 10 HE2 TYR 10 2.924 -8.168 1.685
71 HH TYR 10 HH TYR 10 3.238 -9.425 -1.421
Start of MODEL 5
1 H1 TYR 1 H TYR 1 0.406 0.396 0.266
2 HA TYR 1 HA TYR 1 1.947 1.116 -2.121
3 HB2 TYR 1 2HB TYR 1 3.113 0.318 -0.028
4 HB3 TYR 1 3HB TYR 1 2.375 -1.257 -0.300
5 HD1 TYR 1 HD1 TYR 1 4.855 1.155 -1.531
6 HD2 TYR 1 HD2 TYR 1 3.154 -2.708 -2.064
7 HE1 TYR 1 HE1 TYR 1 6.718 0.547 -3.016
8 HE2 TYR 1 HE2 TYR 1 5.014 -3.328 -3.550
9 HH TYR 1 HH TYR 1 7.096 -2.728 -4.242
10 H TYR 2 H TYR 2 1.715 0.088 -4.021
11 HA TYR 2 HA TYR 2 -0.297 -2.053 -4.152
12 HB2 TYR 2 2HB TYR 2 -0.822 0.001 -5.422
13 HB3 TYR 2 3HB TYR 2 0.661 -0.205 -6.348
14 HD1 TYR 2 HD2 TYR 2 -2.223 -2.386 -5.372
15 HD2 TYR 2 HD1 TYR 2 0.315 -0.979 -8.484
16 HE1 TYR 2 HE2 TYR 2 -3.434 -3.791 -6.988
17 HE2 TYR 2 HE1 TYR 2 -0.890 -2.379 -10.108
18 HH TYR 2 HH TYR 2 -2.921 -3.519 -10.407
19 H ASP 3 H ASP 3 0.065 -3.862 -5.500
20 HA ASP 3 HA ASP 3 2.915 -4.388 -6.035
21 HB2 ASP 3 2HB ASP 3 0.741 -6.071 -4.899
22 HB3 ASP 3 3HB ASP 3 1.921 -6.869 -5.935
23 HA PRO 4 HA PRO 4 0.691 -4.378 -10.115
24 HB2 PRO 4 2HB PRO 4 2.584 -2.926 -11.410
25 HB3 PRO 4 3HB PRO 4 1.257 -2.186 -10.506
26 HG2 PRO 4 2HG PRO 4 4.097 -2.634 -9.674
27 HG3 PRO 4 3HG PRO 4 3.073 -1.206 -9.434
28 HD2 PRO 4 2HD PRO 4 3.520 -3.023 -7.477
29 HD3 PRO 4 3HD PRO 4 1.992 -2.130 -7.620
30 H GLU 5 H GLU 5 3.786 -5.321 -8.934
31 HA GLU 5 HA GLU 5 4.665 -6.581 -11.370
32 HB2 GLU 5 2HB GLU 5 6.115 -5.636 -9.435
33 HB3 GLU 5 3HB GLU 5 5.786 -7.174 -8.648
34 HG2 GLU 5 2HG GLU 5 6.847 -7.135 -11.435
35 HG3 GLU 5 3HG GLU 5 7.934 -6.865 -10.074
36 H THR 6 H THR 6 3.075 -7.557 -8.395
37 HA THR 6 HA THR 6 2.982 -10.334 -9.349
38 HB THR 6 HB THR 6 2.314 -9.254 -6.604
39 HG1 THR 6 HG1 THR 6 4.571 -10.796 -7.400
40 HG21 THR 6 3HG2 THR 6 2.612 -11.770 -6.073
41 HG22 THR 6 1HG2 THR 6 2.325 -12.006 -7.796
42 HG23 THR 6 2HG2 THR 6 1.096 -11.232 -6.795
43 H GLY 7 H GLY 7 0.779 -8.303 -7.410
44 HA2 GLY 7 2HA GLY 7 -1.335 -7.657 -8.666
45 HA3 GLY 7 3HA GLY 7 -1.442 -9.372 -9.034
46 H THR 8 H THR 8 -0.914 -7.348 -6.143
47 HA THR 8 HA THR 8 -3.223 -8.573 -4.869
48 HB THR 8 HB THR 8 -0.669 -8.598 -3.299
49 HG1 THR 8 HG1 THR 8 -1.607 -10.674 -5.017
50 HG21 THR 8 3HG2 THR 8 -2.662 -10.719 -2.970
51 HG22 THR 8 1HG2 THR 8 -3.279 -9.099 -2.646
52 HG23 THR 8 2HG2 THR 8 -1.879 -9.703 -1.760
53 H TRP 9 H TRP 9 -4.251 -7.192 -3.539
54 HA TRP 9 HA TRP 9 -3.107 -4.531 -3.223
55 HB2 TRP 9 2HB TRP 9 -5.858 -5.691 -2.969
56 HB3 TRP 9 3HB TRP 9 -5.491 -4.151 -2.197
57 HD1 TRP 9 HD1 TRP 9 -6.428 -5.633 -5.490
58 HE1 TRP 9 HE1 TRP 9 -6.442 -3.809 -7.305
59 HE3 TRP 9 HE3 TRP 9 -4.116 -1.886 -2.892
60 HZ2 TRP 9 HZ2 TRP 9 -5.585 -1.135 -7.598
61 HZ3 TRP 9 HZ3 TRP 9 -3.750 0.274 -4.012
62 HH2 TRP 9 HH2 TRP 9 -4.469 0.639 -6.317
63 H TYR 10 H TYR 10 -1.514 -5.100 -1.644
64 HA TYR 10 HA TYR 10 -1.944 -6.375 0.771
65 HB2 TYR 10 2HB TYR 10 -0.012 -4.277 -0.134
66 HB3 TYR 10 3HB TYR 10 -0.065 -4.714 1.570
67 HD1 TYR 10 HD1 TYR 10 0.267 -6.233 -1.820
68 HD2 TYR 10 HD2 TYR 10 1.168 -6.534 2.328
69 HE1 TYR 10 HE1 TYR 10 1.710 -8.171 -2.280
70 HE2 TYR 10 HE2 TYR 10 2.615 -8.472 1.878
71 HH TYR 10 HH TYR 10 3.520 -9.390 -1.313
Start of MODEL 6
1 H1 TYR 1 H TYR 1 1.290 1.526 -0.105
2 HA TYR 1 HA TYR 1 2.374 1.534 -2.724
3 HB2 TYR 1 2HB TYR 1 3.663 1.163 -0.592
4 HB3 TYR 1 3HB TYR 1 2.968 -0.453 -0.525
5 HD1 TYR 1 HD1 TYR 1 3.390 -1.992 -2.548
6 HD2 TYR 1 HD2 TYR 1 5.630 1.544 -1.786
7 HE1 TYR 1 HE1 TYR 1 5.198 -2.835 -3.987
8 HE2 TYR 1 HE2 TYR 1 7.444 0.712 -3.224
9 HH TYR 1 HH TYR 1 8.241 -1.691 -3.974
10 H TYR 2 H TYR 2 1.657 0.465 -4.432
11 HA TYR 2 HA TYR 2 -0.059 -1.873 -4.049
12 HB2 TYR 2 2HB TYR 2 -0.831 0.000 -5.504
13 HB3 TYR 2 3HB TYR 2 0.513 -0.335 -6.589
14 HD1 TYR 2 HD1 TYR 2 -2.122 -2.374 -4.879
15 HD2 TYR 2 HD2 TYR 2 -0.109 -1.436 -8.508
16 HE1 TYR 2 HE1 TYR 2 -3.500 -4.030 -6.065
17 HE2 TYR 2 HE2 TYR 2 -1.482 -3.089 -9.704
18 HH TYR 2 HH TYR 2 -3.012 -4.692 -9.518
19 H ASP 3 H ASP 3 0.273 -3.808 -5.248
20 HA ASP 3 HA ASP 3 3.088 -4.240 -6.003
21 HB2 ASP 3 2HB ASP 3 1.141 -5.895 -4.480
22 HB3 ASP 3 3HB ASP 3 2.267 -6.742 -5.537
23 HA PRO 4 HA PRO 4 0.497 -4.812 -9.817
24 HB2 PRO 4 2HB PRO 4 2.163 -3.416 -11.444
25 HB3 PRO 4 3HB PRO 4 0.881 -2.651 -10.498
26 HG2 PRO 4 2HG PRO 4 3.810 -2.848 -9.909
27 HG3 PRO 4 3HG PRO 4 2.722 -1.459 -9.724
28 HD2 PRO 4 2HD PRO 4 3.466 -3.016 -7.637
29 HD3 PRO 4 3HD PRO 4 1.877 -2.228 -7.722
30 H GLU 5 H GLU 5 3.742 -5.448 -8.855
31 HA GLU 5 HA GLU 5 4.609 -6.817 -11.192
32 HB2 GLU 5 2HB GLU 5 6.435 -7.646 -9.795
33 HB3 GLU 5 3HB GLU 5 6.190 -5.922 -9.547
34 HG2 GLU 5 2HG GLU 5 5.088 -6.312 -7.462
35 HG3 GLU 5 3HG GLU 5 5.093 -8.053 -7.732
36 H THR 6 H THR 6 2.702 -7.703 -8.436
37 HA THR 6 HA THR 6 2.720 -10.514 -9.319
38 HB THR 6 HB THR 6 1.789 -11.008 -7.023
39 HG1 THR 6 HG1 THR 6 2.527 -9.161 -5.531
40 HG21 THR 6 3HG2 THR 6 4.356 -10.849 -7.868
41 HG22 THR 6 1HG2 THR 6 3.880 -11.420 -6.269
42 HG23 THR 6 2HG2 THR 6 4.399 -9.749 -6.490
43 H GLY 7 H GLY 7 0.592 -7.986 -7.983
44 HA2 GLY 7 2HA GLY 7 -1.487 -7.475 -9.122
45 HA3 GLY 7 3HA GLY 7 -1.610 -9.177 -9.544
46 H THR 8 H THR 8 -1.142 -7.324 -6.531
47 HA THR 8 HA THR 8 -3.636 -8.285 -5.459
48 HB THR 8 HB THR 8 -1.219 -9.059 -3.859
49 HG1 THR 8 HG1 THR 8 -1.626 -11.224 -4.805
50 HG21 THR 8 3HG2 THR 8 -4.051 -10.103 -3.981
51 HG22 THR 8 1HG2 THR 8 -3.397 -9.023 -2.750
52 HG23 THR 8 2HG2 THR 8 -2.790 -10.673 -2.887
53 H TRP 9 H TRP 9 -4.416 -6.932 -3.934
54 HA TRP 9 HA TRP 9 -2.943 -4.522 -3.388
55 HB2 TRP 9 2HB TRP 9 -5.708 -5.502 -2.757
56 HB3 TRP 9 3HB TRP 9 -5.073 -4.070 -1.952
57 HD1 TRP 9 HD1 TRP 9 -6.547 -5.239 -5.215
58 HE1 TRP 9 HE1 TRP 9 -6.774 -3.240 -6.820
59 HE3 TRP 9 HE3 TRP 9 -3.859 -1.777 -2.584
60 HZ2 TRP 9 HZ2 TRP 9 -5.926 -0.551 -6.953
61 HZ3 TRP 9 HZ3 TRP 9 -3.614 0.486 -3.520
62 HH2 TRP 9 HH2 TRP 9 -4.626 1.084 -5.660
63 H TYR 10 H TYR 10 -1.286 -4.779 -1.992
64 HA TYR 10 HA TYR 10 -1.601 -6.392 0.399
65 HB2 TYR 10 2HB TYR 10 0.670 -5.049 -0.985
66 HB3 TYR 10 3HB TYR 10 0.825 -5.348 0.743
67 HD1 TYR 10 HD1 TYR 10 0.303 -6.982 -2.536
68 HD2 TYR 10 HD2 TYR 10 1.270 -7.523 1.572
69 HE1 TYR 10 HE1 TYR 10 0.969 -9.303 -3.005
70 HE2 TYR 10 HE2 TYR 10 1.940 -9.845 1.115
71 HH TYR 10 HH TYR 10 2.518 -11.025 -1.938
Start of MODEL 7
1 H1 TYR 1 H TYR 1 0.895 1.932 -0.136
2 HA TYR 1 HA TYR 1 1.880 1.690 -2.641
3 HB2 TYR 1 2HB TYR 1 3.145 1.308 -0.511
4 HB3 TYR 1 3HB TYR 1 2.464 -0.314 -0.452
5 HD1 TYR 1 HD2 TYR 1 2.999 -1.912 -2.346
6 HD2 TYR 1 HD1 TYR 1 5.060 1.770 -1.797
7 HE1 TYR 1 HE2 TYR 1 4.838 -2.738 -3.755
8 HE2 TYR 1 HE1 TYR 1 6.904 0.954 -3.205
9 HH TYR 1 HH TYR 1 7.504 -2.074 -3.877
10 H TYR 2 H TYR 2 1.522 0.489 -4.388
11 HA TYR 2 HA TYR 2 -0.271 -1.823 -4.136
12 HB2 TYR 2 2HB TYR 2 -0.968 0.019 -5.649
13 HB3 TYR 2 3HB TYR 2 0.477 -0.258 -6.615
14 HD1 TYR 2 HD2 TYR 2 -2.183 -2.449 -5.151
15 HD2 TYR 2 HD1 TYR 2 0.014 -1.304 -8.610
16 HE1 TYR 2 HE2 TYR 2 -3.395 -4.133 -6.471
17 HE2 TYR 2 HE1 TYR 2 -1.192 -2.985 -9.940
18 HH TYR 2 HH TYR 2 -3.588 -5.136 -8.444
19 H ASP 3 H ASP 3 0.161 -3.740 -5.361
20 HA ASP 3 HA ASP 3 3.032 -4.145 -5.894
21 HB2 ASP 3 2HB ASP 3 2.176 -5.380 -3.910
22 HB3 ASP 3 3HB ASP 3 1.033 -6.214 -4.958
23 HA PRO 4 HA PRO 4 0.700 -4.797 -9.858
24 HB2 PRO 4 2HB PRO 4 2.452 -3.402 -11.391
25 HB3 PRO 4 3HB PRO 4 1.104 -2.640 -10.539
26 HG2 PRO 4 2HG PRO 4 3.991 -2.796 -9.761
27 HG3 PRO 4 3HG PRO 4 2.879 -1.418 -9.664
28 HD2 PRO 4 2HD PRO 4 3.503 -2.941 -7.514
29 HD3 PRO 4 3HD PRO 4 1.915 -2.173 -7.711
30 H GLU 5 H GLU 5 3.956 -5.285 -8.762
31 HA GLU 5 HA GLU 5 5.031 -6.644 -10.964
32 HB2 GLU 5 2HB GLU 5 6.396 -5.860 -9.086
33 HB3 GLU 5 3HB GLU 5 5.621 -7.025 -8.023
34 HG2 GLU 5 2HG GLU 5 6.625 -8.852 -9.138
35 HG3 GLU 5 3HG GLU 5 7.168 -7.830 -10.467
36 H THR 6 H THR 6 2.783 -7.643 -8.521
37 HA THR 6 HA THR 6 2.764 -10.351 -9.687
38 HB THR 6 HB THR 6 2.082 -9.666 -6.822
39 HG1 THR 6 HG1 THR 6 4.155 -9.827 -6.480
40 HG21 THR 6 3HG2 THR 6 1.091 -11.666 -6.844
41 HG22 THR 6 1HG2 THR 6 2.686 -12.377 -7.087
42 HG23 THR 6 2HG2 THR 6 1.668 -12.000 -8.477
43 H GLY 7 H GLY 7 0.700 -8.307 -7.603
44 HA2 GLY 7 2HA GLY 7 -1.375 -7.472 -8.785
45 HA3 GLY 7 3HA GLY 7 -1.595 -9.150 -9.259
46 H THR 8 H THR 8 -0.983 -7.301 -6.270
47 HA THR 8 HA THR 8 -3.346 -8.475 -5.059
48 HB THR 8 HB THR 8 -0.841 -8.726 -3.448
49 HG1 THR 8 HG1 THR 8 -1.736 -10.856 -5.086
50 HG21 THR 8 3HG2 THR 8 -2.653 -9.243 -2.132
51 HG22 THR 8 1HG2 THR 8 -2.273 -10.837 -2.782
52 HG23 THR 8 2HG2 THR 8 -3.587 -9.889 -3.480
53 H TRP 9 H TRP 9 -4.199 -7.244 -3.421
54 HA TRP 9 HA TRP 9 -2.985 -4.608 -3.073
55 HB2 TRP 9 2HB TRP 9 -5.743 -5.716 -2.757
56 HB3 TRP 9 3HB TRP 9 -5.301 -4.273 -1.848
57 HD1 TRP 9 HD1 TRP 9 -6.619 -5.307 -5.131
58 HE1 TRP 9 HE1 TRP 9 -6.605 -3.331 -6.780
59 HE3 TRP 9 HE3 TRP 9 -3.651 -2.079 -2.503
60 HZ2 TRP 9 HZ2 TRP 9 -5.483 -0.746 -6.945
61 HZ3 TRP 9 HZ3 TRP 9 -3.155 0.126 -3.477
62 HH2 TRP 9 HH2 TRP 9 -4.053 0.776 -5.653
63 H TYR 10 H TYR 10 -1.447 -4.755 -1.518
64 HA TYR 10 HA TYR 10 -1.895 -6.260 0.905
65 HB2 TYR 10 2HB TYR 10 0.376 -4.495 -0.016
66 HB3 TYR 10 3HB TYR 10 0.355 -5.306 1.546
67 HD1 TYR 10 HD2 TYR 10 -0.237 -7.932 1.329
68 HD2 TYR 10 HD1 TYR 10 1.544 -5.536 -1.702
69 HE1 TYR 10 HE2 TYR 10 0.711 -9.953 0.296
70 HE2 TYR 10 HE1 TYR 10 2.496 -7.550 -2.744
71 HH TYR 10 HH TYR 10 1.626 -10.755 -1.678
Start of MODEL 8
1 H1 TYR 1 H TYR 1 0.757 -1.048 0.655
2 HA TYR 1 HA TYR 1 1.815 0.468 -1.636
3 HB2 TYR 1 2HB TYR 1 3.540 -0.199 -0.059
4 HB3 TYR 1 3HB TYR 1 3.000 -1.872 -0.128
5 HD1 TYR 1 HD1 TYR 1 4.647 0.825 -2.037
6 HD2 TYR 1 HD2 TYR 1 3.691 -3.318 -1.892
7 HE1 TYR 1 HE1 TYR 1 6.204 0.407 -3.895
8 HE2 TYR 1 HE2 TYR 1 5.246 -3.748 -3.748
9 HH TYR 1 HH TYR 1 7.574 -1.659 -4.719
10 H TYR 2 H TYR 2 1.177 -0.123 -3.591
11 HA TYR 2 HA TYR 2 -0.435 -2.461 -3.985
12 HB2 TYR 2 2HB TYR 2 -0.829 -0.319 -5.186
13 HB3 TYR 2 3HB TYR 2 0.686 -0.555 -6.050
14 HD1 TYR 2 HD2 TYR 2 -2.335 -2.631 -5.280
15 HD2 TYR 2 HD1 TYR 2 0.425 -1.271 -8.219
16 HE1 TYR 2 HE2 TYR 2 -3.522 -3.938 -6.992
17 HE2 TYR 2 HE1 TYR 2 -0.755 -2.574 -9.939
18 HH TYR 2 HH TYR 2 -2.395 -4.009 -10.360
19 H ASP 3 H ASP 3 0.001 -4.184 -5.445
20 HA ASP 3 HA ASP 3 2.878 -4.713 -5.809
21 HB2 ASP 3 2HB ASP 3 1.425 -6.149 -4.165
22 HB3 ASP 3 3HB ASP 3 0.855 -6.917 -5.644
23 HA PRO 4 HA PRO 4 0.887 -4.537 -10.001
24 HB2 PRO 4 2HB PRO 4 2.862 -3.057 -11.134
25 HB3 PRO 4 3HB PRO 4 1.493 -2.338 -10.278
26 HG2 PRO 4 2HG PRO 4 4.278 -2.846 -9.307
27 HG3 PRO 4 3HG PRO 4 3.254 -1.417 -9.071
28 HD2 PRO 4 2HD PRO 4 3.577 -3.310 -7.162
29 HD3 PRO 4 3HD PRO 4 2.067 -2.396 -7.355
30 H GLU 5 H GLU 5 3.914 -5.543 -8.692
31 HA GLU 5 HA GLU 5 5.092 -6.606 -11.035
32 HB2 GLU 5 2HB GLU 5 5.505 -6.967 -8.100
33 HB3 GLU 5 3HB GLU 5 6.243 -8.123 -9.198
34 HG2 GLU 5 2HG GLU 5 6.623 -5.225 -9.729
35 HG3 GLU 5 3HG GLU 5 7.520 -5.970 -8.406
36 H THR 6 H THR 6 2.797 -7.873 -8.708
37 HA THR 6 HA THR 6 2.533 -10.289 -10.375
38 HB THR 6 HB THR 6 2.135 -10.156 -7.380
39 HG1 THR 6 HG1 THR 6 4.100 -11.110 -7.216
40 HG21 THR 6 3HG2 THR 6 1.806 -12.521 -7.468
41 HG22 THR 6 1HG2 THR 6 2.217 -12.574 -9.181
42 HG23 THR 6 2HG2 THR 6 0.723 -11.797 -8.656
43 H GLY 7 H GLY 7 0.772 -8.559 -7.788
44 HA2 GLY 7 2HA GLY 7 -1.332 -7.441 -8.756
45 HA3 GLY 7 3HA GLY 7 -1.718 -9.075 -9.277
46 H THR 8 H THR 8 -1.041 -7.111 -6.407
47 HA THR 8 HA THR 8 -3.133 -8.516 -4.969
48 HB THR 8 HB THR 8 -0.450 -8.341 -3.623
49 HG1 THR 8 HG1 THR 8 -1.473 -10.579 -5.067
50 HG21 THR 8 3HG2 THR 8 -2.137 -10.555 -2.900
51 HG22 THR 8 1HG2 THR 8 -3.039 -9.044 -2.795
52 HG23 THR 8 2HG2 THR 8 -1.535 -9.238 -1.895
53 H TRP 9 H TRP 9 -4.110 -7.263 -3.451
54 HA TRP 9 HA TRP 9 -3.096 -4.521 -3.189
55 HB2 TRP 9 2HB TRP 9 -5.821 -5.746 -3.092
56 HB3 TRP 9 3HB TRP 9 -5.534 -4.251 -2.206
57 HD1 TRP 9 HD1 TRP 9 -6.399 -5.499 -5.585
58 HE1 TRP 9 HE1 TRP 9 -6.341 -3.575 -7.294
59 HE3 TRP 9 HE3 TRP 9 -4.034 -1.963 -2.749
60 HZ2 TRP 9 HZ2 TRP 9 -5.415 -0.912 -7.424
61 HZ3 TRP 9 HZ3 TRP 9 -3.599 0.246 -3.740
62 HH2 TRP 9 HH2 TRP 9 -4.276 0.759 -6.029
63 H TYR 10 H TYR 10 -2.167 -6.885 -1.637
64 HA TYR 10 HA TYR 10 -1.658 -7.478 0.504
65 HB2 TYR 10 2HB TYR 10 -1.892 -4.489 0.644
66 HB3 TYR 10 3HB TYR 10 -1.544 -5.419 2.097
67 HD1 TYR 10 HD2 TYR 10 -0.360 -5.513 -1.454
68 HD2 TYR 10 HD1 TYR 10 0.682 -5.365 2.669
69 HE1 TYR 10 HE2 TYR 10 2.023 -5.559 -2.061
70 HE2 TYR 10 HE1 TYR 10 3.068 -5.409 2.073
71 HH TYR 10 HH TYR 10 4.135 -5.164 -1.255
Start of MODEL 9
1 H1 TYR 1 H TYR 1 0.589 1.099 0.257
2 HA TYR 1 HA TYR 1 1.926 1.237 -2.213
3 HB2 TYR 1 2HB TYR 1 2.669 0.267 0.114
4 HB3 TYR 1 3HB TYR 1 2.031 -1.240 -0.533
5 HD1 TYR 1 HD1 TYR 1 3.119 -2.354 -2.401
6 HD2 TYR 1 HD2 TYR 1 4.666 1.282 -0.823
7 HE1 TYR 1 HE1 TYR 1 5.231 -2.738 -3.602
8 HE2 TYR 1 HE2 TYR 1 6.781 0.909 -2.021
9 HH TYR 1 HH TYR 1 8.048 -0.828 -3.022
10 H TYR 2 H TYR 2 2.080 -0.340 -3.890
11 HA TYR 2 HA TYR 2 -0.260 -2.105 -4.141
12 HB2 TYR 2 2HB TYR 2 -0.559 -0.009 -5.470
13 HB3 TYR 2 3HB TYR 2 0.881 -0.434 -6.388
14 HD1 TYR 2 HD1 TYR 2 -2.201 -2.252 -5.282
15 HD2 TYR 2 HD2 TYR 2 0.401 -1.231 -8.490
16 HE1 TYR 2 HE1 TYR 2 -3.583 -3.585 -6.818
17 HE2 TYR 2 HE2 TYR 2 -0.975 -2.561 -10.036
18 HH TYR 2 HH TYR 2 -3.223 -3.431 -10.216
19 H ASP 3 H ASP 3 0.027 -3.899 -5.601
20 HA ASP 3 HA ASP 3 2.858 -4.616 -5.999
21 HB2 ASP 3 2HB ASP 3 1.664 -5.892 -4.175
22 HB3 ASP 3 3HB ASP 3 0.621 -6.564 -5.426
23 HA PRO 4 HA PRO 4 0.658 -4.629 -10.096
24 HB2 PRO 4 2HB PRO 4 2.609 -3.279 -11.416
25 HB3 PRO 4 3HB PRO 4 1.302 -2.470 -10.544
26 HG2 PRO 4 2HG PRO 4 4.120 -2.991 -9.678
27 HG3 PRO 4 3HG PRO 4 3.144 -1.523 -9.486
28 HD2 PRO 4 2HD PRO 4 3.515 -3.299 -7.476
29 HD3 PRO 4 3HD PRO 4 2.020 -2.358 -7.655
30 H GLU 5 H GLU 5 3.703 -5.654 -8.859
31 HA GLU 5 HA GLU 5 4.736 -6.894 -11.190
32 HB2 GLU 5 2HB GLU 5 5.284 -7.160 -8.252
33 HB3 GLU 5 3HB GLU 5 6.015 -8.281 -9.392
34 HG2 GLU 5 2HG GLU 5 6.712 -6.057 -10.614
35 HG3 GLU 5 3HG GLU 5 6.510 -5.381 -8.998
36 H THR 6 H THR 6 3.013 -8.221 -8.369
37 HA THR 6 HA THR 6 2.499 -10.672 -9.905
38 HB THR 6 HB THR 6 1.926 -10.338 -6.971
39 HG1 THR 6 HG1 THR 6 4.395 -10.912 -8.251
40 HG21 THR 6 3HG2 THR 6 2.913 -12.874 -8.089
41 HG22 THR 6 1HG2 THR 6 1.336 -12.358 -8.684
42 HG23 THR 6 2HG2 THR 6 1.599 -12.571 -6.953
43 H GLY 7 H GLY 7 0.764 -8.677 -7.498
44 HA2 GLY 7 2HA GLY 7 -1.349 -7.648 -8.483
45 HA3 GLY 7 3HA GLY 7 -1.729 -9.300 -8.948
46 H THR 8 H THR 8 -1.061 -7.242 -6.143
47 HA THR 8 HA THR 8 -3.218 -8.455 -4.679
48 HB THR 8 HB THR 8 -0.531 -8.675 -3.352
49 HG1 THR 8 HG1 THR 8 -0.183 -10.582 -4.274
50 HG21 THR 8 3HG2 THR 8 -3.182 -9.050 -2.523
51 HG22 THR 8 1HG2 THR 8 -1.717 -9.482 -1.644
52 HG23 THR 8 2HG2 THR 8 -2.501 -10.668 -2.688
53 H TRP 9 H TRP 9 -4.175 -6.798 -3.718
54 HA TRP 9 HA TRP 9 -2.882 -4.287 -3.348
55 HB2 TRP 9 2HB TRP 9 -5.590 -5.384 -2.658
56 HB3 TRP 9 3HB TRP 9 -5.085 -3.813 -2.041
57 HD1 TRP 9 HD1 TRP 9 -6.332 -5.527 -5.163
58 HE1 TRP 9 HE1 TRP 9 -6.666 -3.779 -7.022
59 HE3 TRP 9 HE3 TRP 9 -4.068 -1.524 -2.929
60 HZ2 TRP 9 HZ2 TRP 9 -6.050 -1.062 -7.481
61 HZ3 TRP 9 HZ3 TRP 9 -3.982 0.612 -4.146
62 HH2 TRP 9 HH2 TRP 9 -4.952 0.836 -6.375
63 H TYR 10 H TYR 10 -1.236 -4.298 -1.902
64 HA TYR 10 HA TYR 10 -1.550 -5.584 0.680
65 HB2 TYR 10 2HB TYR 10 0.708 -4.280 -0.784
66 HB3 TYR 10 3HB TYR 10 0.815 -4.455 0.964
67 HD1 TYR 10 HD1 TYR 10 0.724 -6.236 -2.240
68 HD2 TYR 10 HD2 TYR 10 1.054 -6.640 1.983
69 HE1 TYR 10 HE1 TYR 10 1.493 -8.555 -2.528
70 HE2 TYR 10 HE2 TYR 10 1.825 -8.959 1.706
71 HH TYR 10 HH TYR 10 2.718 -10.248 -1.347
Start of MODEL 10
1 H1 TYR 1 H TYR 1 0.546 0.033 -0.084
2 HA TYR 1 HA TYR 1 2.054 1.303 -2.166
3 HB2 TYR 1 2HB TYR 1 3.844 0.800 -0.533
4 HB3 TYR 1 3HB TYR 1 3.392 -0.901 -0.582
5 HD1 TYR 1 HD2 TYR 1 4.957 1.850 -2.444
6 HD2 TYR 1 HD1 TYR 1 3.990 -2.293 -2.459
7 HE1 TYR 1 HE2 TYR 1 6.480 1.508 -4.345
8 HE2 TYR 1 HE1 TYR 1 5.511 -2.648 -4.360
9 HH TYR 1 HH TYR 1 6.588 -1.474 -6.099
10 H TYR 2 H TYR 2 1.457 0.429 -4.035
11 HA TYR 2 HA TYR 2 -0.122 -1.998 -4.026
12 HB2 TYR 2 2HB TYR 2 -0.783 0.007 -5.353
13 HB3 TYR 2 3HB TYR 2 0.641 -0.232 -6.360
14 HD1 TYR 2 HD2 TYR 2 -2.180 -2.334 -5.077
15 HD2 TYR 2 HD1 TYR 2 0.231 -1.212 -8.398
16 HE1 TYR 2 HE2 TYR 2 -3.461 -3.863 -6.516
17 HE2 TYR 2 HE1 TYR 2 -1.044 -2.736 -9.847
18 HH TYR 2 HH TYR 2 -3.917 -4.386 -8.700
19 H ASP 3 H ASP 3 0.334 -3.869 -5.204
20 HA ASP 3 HA ASP 3 3.173 -4.202 -5.920
21 HB2 ASP 3 2HB ASP 3 1.247 -5.947 -4.478
22 HB3 ASP 3 3HB ASP 3 2.394 -6.741 -5.554
23 HA PRO 4 HA PRO 4 0.681 -4.709 -9.805
24 HB2 PRO 4 2HB PRO 4 2.358 -3.236 -11.351
25 HB3 PRO 4 3HB PRO 4 1.042 -2.522 -10.411
26 HG2 PRO 4 2HG PRO 4 3.960 -2.688 -9.763
27 HG3 PRO 4 3HG PRO 4 2.845 -1.324 -9.560
28 HD2 PRO 4 2HD PRO 4 3.570 -2.931 -7.505
29 HD3 PRO 4 3HD PRO 4 1.970 -2.168 -7.602
30 H GLU 5 H GLU 5 3.910 -5.327 -8.785
31 HA GLU 5 HA GLU 5 4.908 -6.566 -11.123
32 HB2 GLU 5 2HB GLU 5 6.629 -7.507 -9.670
33 HB3 GLU 5 3HB GLU 5 6.366 -5.808 -9.302
34 HG2 GLU 5 2HG GLU 5 5.281 -6.286 -7.294
35 HG3 GLU 5 3HG GLU 5 4.994 -7.966 -7.745
36 H THR 6 H THR 6 2.788 -7.629 -8.602
37 HA THR 6 HA THR 6 2.779 -10.334 -9.776
38 HB THR 6 HB THR 6 2.206 -9.569 -6.906
39 HG1 THR 6 HG1 THR 6 4.282 -11.210 -7.959
40 HG21 THR 6 3HG2 THR 6 0.786 -11.376 -7.313
41 HG22 THR 6 1HG2 THR 6 2.242 -12.142 -6.680
42 HG23 THR 6 2HG2 THR 6 1.925 -12.147 -8.415
43 H GLY 7 H GLY 7 0.788 -7.913 -8.089
44 HA2 GLY 7 2HA GLY 7 -1.312 -7.245 -9.137
45 HA3 GLY 7 3HA GLY 7 -1.526 -8.920 -9.623
46 H THR 8 H THR 8 -1.082 -6.982 -6.666
47 HA THR 8 HA THR 8 -3.365 -8.351 -5.474
48 HB THR 8 HB THR 8 -1.368 -9.675 -4.805
49 HG1 THR 8 HG1 THR 8 -2.612 -9.969 -3.126
50 HG21 THR 8 3HG2 THR 8 -0.530 -7.321 -3.139
51 HG22 THR 8 1HG2 THR 8 0.118 -7.574 -4.759
52 HG23 THR 8 2HG2 THR 8 0.370 -8.791 -3.508
53 H TRP 9 H TRP 9 -3.801 -7.374 -3.219
54 HA TRP 9 HA TRP 9 -3.154 -4.503 -3.236
55 HB2 TRP 9 2HB TRP 9 -5.820 -5.843 -3.095
56 HB3 TRP 9 3HB TRP 9 -5.580 -4.356 -2.181
57 HD1 TRP 9 HD1 TRP 9 -6.584 -5.526 -5.517
58 HE1 TRP 9 HE1 TRP 9 -6.602 -3.582 -7.203
59 HE3 TRP 9 HE3 TRP 9 -4.027 -2.051 -2.775
60 HZ2 TRP 9 HZ2 TRP 9 -5.656 -0.926 -7.352
61 HZ3 TRP 9 HZ3 TRP 9 -3.625 0.167 -3.763
62 HH2 TRP 9 HH2 TRP 9 -4.423 0.715 -6.004
63 H TYR 10 H TYR 10 -1.521 -5.709 -1.732
64 HA TYR 10 HA TYR 10 -2.196 -6.727 0.742
65 HB2 TYR 10 2HB TYR 10 0.188 -5.268 -0.310
66 HB3 TYR 10 3HB TYR 10 0.075 -5.551 1.423
67 HD1 TYR 10 HD1 TYR 10 -0.270 -7.970 2.204
68 HD2 TYR 10 HD2 TYR 10 0.976 -6.947 -1.733
69 HE1 TYR 10 HE1 TYR 10 0.600 -10.250 1.894
70 HE2 TYR 10 HE2 TYR 10 1.848 -9.224 -2.055
71 HH TYR 10 HH TYR 10 2.633 -11.217 0.128
Start of MODEL 11
1 H1 TYR 1 H TYR 1 1.425 1.184 0.516
2 HA TYR 1 HA TYR 1 1.932 1.597 -2.217
3 HB2 TYR 1 2HB TYR 1 3.683 1.229 -0.486
4 HB3 TYR 1 3HB TYR 1 3.204 -0.462 -0.402
5 HD1 TYR 1 HD2 TYR 1 4.646 2.120 -2.631
6 HD2 TYR 1 HD1 TYR 1 4.008 -2.035 -1.974
7 HE1 TYR 1 HE2 TYR 1 6.193 1.597 -4.470
8 HE2 TYR 1 HE1 TYR 1 5.554 -2.569 -3.811
9 HH TYR 1 HH TYR 1 6.830 -1.760 -5.438
10 H TYR 2 H TYR 2 1.472 0.454 -3.995
11 HA TYR 2 HA TYR 2 -0.170 -1.939 -3.689
12 HB2 TYR 2 2HB TYR 2 -0.957 -0.111 -5.159
13 HB3 TYR 2 3HB TYR 2 0.463 -0.334 -6.175
14 HD1 TYR 2 HD2 TYR 2 -2.164 -2.550 -4.686
15 HD2 TYR 2 HD1 TYR 2 0.035 -1.425 -8.151
16 HE1 TYR 2 HE2 TYR 2 -3.374 -4.243 -5.997
17 HE2 TYR 2 HE1 TYR 2 -1.170 -3.115 -9.471
18 HH TYR 2 HH TYR 2 -2.805 -4.624 -9.479
19 H ASP 3 H ASP 3 0.253 -3.875 -4.829
20 HA ASP 3 HA ASP 3 3.092 -4.239 -5.531
21 HB2 ASP 3 2HB ASP 3 1.964 -5.468 -3.488
22 HB3 ASP 3 3HB ASP 3 1.351 -6.541 -4.743
23 HA PRO 4 HA PRO 4 0.584 -4.957 -9.373
24 HB2 PRO 4 2HB PRO 4 2.248 -3.562 -11.001
25 HB3 PRO 4 3HB PRO 4 0.935 -2.804 -10.094
26 HG2 PRO 4 2HG PRO 4 3.856 -2.926 -9.452
27 HG3 PRO 4 3HG PRO 4 2.737 -1.557 -9.316
28 HD2 PRO 4 2HD PRO 4 3.477 -3.052 -7.183
29 HD3 PRO 4 3HD PRO 4 1.873 -2.300 -7.312
30 H GLU 5 H GLU 5 3.824 -5.503 -8.342
31 HA GLU 5 HA GLU 5 4.833 -6.848 -10.608
32 HB2 GLU 5 2HB GLU 5 6.005 -5.993 -8.405
33 HB3 GLU 5 3HB GLU 5 5.679 -7.629 -7.850
34 HG2 GLU 5 2HG GLU 5 6.883 -8.497 -9.825
35 HG3 GLU 5 3HG GLU 5 7.284 -6.839 -10.269
36 H THR 6 H THR 6 2.672 -7.807 -8.081
37 HA THR 6 HA THR 6 2.744 -10.584 -9.069
38 HB THR 6 HB THR 6 3.341 -10.304 -6.661
39 HG1 THR 6 HG1 THR 6 2.119 -12.175 -7.644
40 HG21 THR 6 3HG2 THR 6 1.788 -8.386 -6.254
41 HG22 THR 6 1HG2 THR 6 1.675 -9.671 -5.053
42 HG23 THR 6 2HG2 THR 6 0.446 -9.527 -6.310
43 H GLY 7 H GLY 7 0.736 -7.815 -8.342
44 HA2 GLY 7 2HA GLY 7 -1.279 -7.346 -9.487
45 HA3 GLY 7 3HA GLY 7 -1.435 -9.055 -9.864
46 H THR 8 H THR 8 -0.726 -7.866 -6.650
47 HA THR 8 HA THR 8 -3.467 -8.564 -5.825
48 HB THR 8 HB THR 8 -0.931 -9.211 -4.309
49 HG1 THR 8 HG1 THR 8 -2.708 -10.731 -5.895
50 HG21 THR 8 3HG2 THR 8 -3.841 -9.654 -3.647
51 HG22 THR 8 1HG2 THR 8 -2.671 -8.693 -2.744
52 HG23 THR 8 2HG2 THR 8 -2.509 -10.448 -2.806
53 H TRP 9 H TRP 9 -4.382 -7.331 -4.204
54 HA TRP 9 HA TRP 9 -3.145 -4.737 -3.785
55 HB2 TRP 9 2HB TRP 9 -5.872 -5.867 -3.551
56 HB3 TRP 9 3HB TRP 9 -5.474 -4.576 -2.420
57 HD1 TRP 9 HD1 TRP 9 -6.597 -5.145 -5.915
58 HE1 TRP 9 HE1 TRP 9 -6.636 -2.922 -7.211
59 HE3 TRP 9 HE3 TRP 9 -4.015 -2.228 -2.603
60 HZ2 TRP 9 HZ2 TRP 9 -5.696 -0.281 -6.875
61 HZ3 TRP 9 HZ3 TRP 9 -3.628 0.135 -3.166
62 HH2 TRP 9 HH2 TRP 9 -4.451 1.086 -5.259
63 H TYR 10 H TYR 10 -1.422 -5.407 -2.403
64 HA TYR 10 HA TYR 10 -1.682 -6.825 -0.025
65 HB2 TYR 10 2HB TYR 10 0.284 -4.871 -1.105
66 HB3 TYR 10 3HB TYR 10 0.349 -5.208 0.621
67 HD1 TYR 10 HD2 TYR 10 0.391 -6.875 -2.704
68 HD2 TYR 10 HD1 TYR 10 1.446 -7.114 1.411
69 HE1 TYR 10 HE2 TYR 10 1.673 -8.925 -3.158
70 HE2 TYR 10 HE1 TYR 10 2.732 -9.164 0.968
71 HH TYR 10 HH TYR 10 3.793 -10.318 -0.834
Start of MODEL 12
1 H1 TYR 1 H TYR 1 0.374 0.700 -0.035
2 HA TYR 1 HA TYR 1 1.968 1.420 -2.405
3 HB2 TYR 1 2HB TYR 1 3.222 0.913 -0.291
4 HB3 TYR 1 3HB TYR 1 2.585 -0.725 -0.366
5 HD1 TYR 1 HD2 TYR 1 3.347 -2.279 -2.097
6 HD2 TYR 1 HD1 TYR 1 4.964 1.646 -1.795
7 HE1 TYR 1 HE2 TYR 1 5.220 -2.945 -3.545
8 HE2 TYR 1 HE1 TYR 1 6.840 0.991 -3.244
9 HH TYR 1 HH TYR 1 7.962 -0.855 -4.083
10 H TYR 2 H TYR 2 1.346 0.497 -4.230
11 HA TYR 2 HA TYR 2 -0.335 -1.880 -4.162
12 HB2 TYR 2 2HB TYR 2 -0.922 0.090 -5.588
13 HB3 TYR 2 3HB TYR 2 0.517 -0.230 -6.550
14 HD1 TYR 2 HD1 TYR 2 -2.327 -2.266 -5.208
15 HD2 TYR 2 HD2 TYR 2 0.074 -1.238 -8.567
16 HE1 TYR 2 HE1 TYR 2 -3.614 -3.833 -6.600
17 HE2 TYR 2 HE2 TYR 2 -1.208 -2.801 -9.969
18 HH TYR 2 HH TYR 2 -2.760 -4.404 -9.992
19 H ASP 3 H ASP 3 0.116 -3.766 -5.376
20 HA ASP 3 HA ASP 3 2.987 -4.179 -5.893
21 HB2 ASP 3 2HB ASP 3 0.918 -5.876 -4.598
22 HB3 ASP 3 3HB ASP 3 2.121 -6.695 -5.590
23 HA PRO 4 HA PRO 4 0.744 -4.611 -9.938
24 HB2 PRO 4 2HB PRO 4 2.548 -3.168 -11.363
25 HB3 PRO 4 3HB PRO 4 1.189 -2.430 -10.507
26 HG2 PRO 4 2HG PRO 4 4.054 -2.659 -9.670
27 HG3 PRO 4 3HG PRO 4 2.955 -1.273 -9.534
28 HD2 PRO 4 2HD PRO 4 3.511 -2.903 -7.444
29 HD3 PRO 4 3HD PRO 4 1.936 -2.107 -7.642
30 H GLU 5 H GLU 5 3.911 -5.266 -8.735
31 HA GLU 5 HA GLU 5 4.965 -6.571 -11.028
32 HB2 GLU 5 2HB GLU 5 6.299 -5.683 -9.081
33 HB3 GLU 5 3HB GLU 5 5.732 -7.062 -8.150
34 HG2 GLU 5 2HG GLU 5 7.148 -7.430 -10.761
35 HG3 GLU 5 3HG GLU 5 8.037 -7.197 -9.256
36 H THR 6 H THR 6 2.868 -7.550 -8.438
37 HA THR 6 HA THR 6 2.890 -10.306 -9.486
38 HB THR 6 HB THR 6 2.192 -9.397 -6.687
39 HG1 THR 6 HG1 THR 6 4.470 -10.639 -7.829
40 HG21 THR 6 3HG2 THR 6 0.858 -11.282 -7.084
41 HG22 THR 6 1HG2 THR 6 2.296 -11.936 -6.300
42 HG23 THR 6 2HG2 THR 6 2.105 -12.073 -8.048
43 H GLY 7 H GLY 7 0.702 -8.231 -7.566
44 HA2 GLY 7 2HA GLY 7 -1.355 -7.498 -8.835
45 HA3 GLY 7 3HA GLY 7 -1.507 -9.193 -9.276
46 H THR 8 H THR 8 -1.089 -7.230 -6.327
47 HA THR 8 HA THR 8 -3.473 -8.370 -5.172
48 HB THR 8 HB THR 8 -0.880 -8.844 -3.703
49 HG1 THR 8 HG1 THR 8 -0.867 -10.875 -4.503
50 HG21 THR 8 3HG2 THR 8 -3.165 -8.642 -2.519
51 HG22 THR 8 1HG2 THR 8 -2.148 -10.033 -2.145
52 HG23 THR 8 2HG2 THR 8 -3.512 -10.210 -3.248
53 H TRP 9 H TRP 9 -4.357 -7.059 -3.648
54 HA TRP 9 HA TRP 9 -3.069 -4.491 -3.232
55 HB2 TRP 9 2HB TRP 9 -5.825 -5.575 -2.728
56 HB3 TRP 9 3HB TRP 9 -5.312 -4.061 -1.987
57 HD1 TRP 9 HD1 TRP 9 -6.582 -5.496 -5.212
58 HE1 TRP 9 HE1 TRP 9 -6.764 -3.633 -6.979
59 HE3 TRP 9 HE3 TRP 9 -4.064 -1.791 -2.748
60 HZ2 TRP 9 HZ2 TRP 9 -5.948 -0.948 -7.287
61 HZ3 TRP 9 HZ3 TRP 9 -3.809 0.395 -3.849
62 HH2 TRP 9 HH2 TRP 9 -4.732 0.805 -6.072
63 H TYR 10 H TYR 10 -1.355 -5.212 -1.854
64 HA TYR 10 HA TYR 10 -1.704 -6.586 0.557
65 HB2 TYR 10 2HB TYR 10 0.408 -4.815 -0.577
66 HB3 TYR 10 3HB TYR 10 0.467 -5.162 1.147
67 HD1 TYR 10 HD2 TYR 10 0.250 -6.855 -2.165
68 HD2 TYR 10 HD1 TYR 10 1.477 -7.120 1.900
69 HE1 TYR 10 HE2 TYR 10 1.344 -9.005 -2.642
70 HE2 TYR 10 HE1 TYR 10 2.575 -9.270 1.435
71 HH TYR 10 HH TYR 10 3.517 -10.474 -0.505
Start of MODEL 13
1 H1 TYR 1 H TYR 1 1.433 1.240 -0.031
2 HA TYR 1 HA TYR 1 2.263 1.660 -2.749
3 HB2 TYR 1 2HB TYR 1 3.868 1.324 -0.876
4 HB3 TYR 1 3HB TYR 1 3.306 -0.337 -0.731
5 HD1 TYR 1 HD2 TYR 1 5.199 2.026 -2.810
6 HD2 TYR 1 HD1 TYR 1 3.966 -2.018 -2.329
7 HE1 TYR 1 HE2 TYR 1 6.847 1.329 -4.498
8 HE2 TYR 1 HE1 TYR 1 5.612 -2.726 -4.014
9 HH TYR 1 HH TYR 1 7.261 -0.499 -6.021
10 H TYR 2 H TYR 2 1.439 0.641 -4.438
11 HA TYR 2 HA TYR 2 -0.165 -1.734 -4.112
12 HB2 TYR 2 2HB TYR 2 -0.816 0.053 -5.689
13 HB3 TYR 2 3HB TYR 2 0.634 -0.266 -6.635
14 HD1 TYR 2 HD2 TYR 2 -2.145 -2.310 -5.175
15 HD2 TYR 2 HD1 TYR 2 0.249 -1.427 -8.580
16 HE1 TYR 2 HE2 TYR 2 -3.369 -4.006 -6.469
17 HE2 TYR 2 HE1 TYR 2 -0.970 -3.120 -9.883
18 HH TYR 2 HH TYR 2 -2.483 -4.755 -9.820
19 H ASP 3 H ASP 3 0.193 -3.726 -5.207
20 HA ASP 3 HA ASP 3 3.042 -4.270 -5.726
21 HB2 ASP 3 2HB ASP 3 1.713 -5.388 -3.741
22 HB3 ASP 3 3HB ASP 3 1.121 -6.449 -5.016
23 HA PRO 4 HA PRO 4 0.745 -4.914 -9.710
24 HB2 PRO 4 2HB PRO 4 2.592 -3.655 -11.250
25 HB3 PRO 4 3HB PRO 4 1.272 -2.801 -10.442
26 HG2 PRO 4 2HG PRO 4 4.133 -3.085 -9.610
27 HG3 PRO 4 3HG PRO 4 3.093 -1.649 -9.569
28 HD2 PRO 4 2HD PRO 4 3.603 -3.142 -7.368
29 HD3 PRO 4 3HD PRO 4 2.060 -2.298 -7.613
30 H GLU 5 H GLU 5 3.859 -5.649 -8.449
31 HA GLU 5 HA GLU 5 4.847 -7.152 -10.659
32 HB2 GLU 5 2HB GLU 5 5.593 -7.113 -7.735
33 HB3 GLU 5 3HB GLU 5 6.431 -8.095 -8.929
34 HG2 GLU 5 2HG GLU 5 6.620 -5.762 -10.166
35 HG3 GLU 5 3HG GLU 5 6.466 -5.162 -8.516
36 H THR 6 H THR 6 2.785 -7.853 -7.942
37 HA THR 6 HA THR 6 2.713 -10.690 -8.732
38 HB THR 6 HB THR 6 3.394 -10.328 -6.395
39 HG1 THR 6 HG1 THR 6 2.377 -12.187 -6.292
40 HG21 THR 6 3HG2 THR 6 1.634 -8.257 -6.378
41 HG22 THR 6 1HG2 THR 6 2.304 -9.006 -4.929
42 HG23 THR 6 2HG2 THR 6 0.714 -9.492 -5.520
43 H GLY 7 H GLY 7 0.791 -7.824 -8.105
44 HA2 GLY 7 2HA GLY 7 -1.242 -7.367 -9.227
45 HA3 GLY 7 3HA GLY 7 -1.448 -9.090 -9.505
46 H THR 8 H THR 8 -0.630 -7.716 -6.387
47 HA THR 8 HA THR 8 -3.359 -8.307 -5.449
48 HB THR 8 HB THR 8 -0.997 -8.763 -3.660
49 HG1 THR 8 HG1 THR 8 -1.014 -10.957 -4.371
50 HG21 THR 8 3HG2 THR 8 -3.873 -9.251 -3.626
51 HG22 THR 8 1HG2 THR 8 -2.727 -9.159 -2.289
52 HG23 THR 8 2HG2 THR 8 -2.925 -10.669 -3.180
53 H TRP 9 H TRP 9 -4.114 -7.060 -3.697
54 HA TRP 9 HA TRP 9 -2.911 -4.420 -3.566
55 HB2 TRP 9 2HB TRP 9 -5.555 -5.597 -2.895
56 HB3 TRP 9 3HB TRP 9 -5.053 -4.185 -1.969
57 HD1 TRP 9 HD1 TRP 9 -6.666 -5.127 -5.163
58 HE1 TRP 9 HE1 TRP 9 -6.931 -3.066 -6.681
59 HE3 TRP 9 HE3 TRP 9 -3.635 -1.871 -2.644
60 HZ2 TRP 9 HZ2 TRP 9 -5.980 -0.410 -6.795
61 HZ3 TRP 9 HZ3 TRP 9 -3.366 0.411 -3.524
62 HH2 TRP 9 HH2 TRP 9 -4.515 1.124 -5.557
63 H TYR 10 H TYR 10 -3.202 -7.266 -1.619
64 HA TYR 10 HA TYR 10 -2.403 -7.832 0.433
65 HB2 TYR 10 2HB TYR 10 -0.596 -5.583 -0.369
66 HB3 TYR 10 3HB TYR 10 -0.470 -6.256 1.252
67 HD1 TYR 10 HD1 TYR 10 -0.119 -7.000 -2.342
68 HD2 TYR 10 HD2 TYR 10 0.503 -8.409 1.625
69 HE1 TYR 10 HE1 TYR 10 1.292 -8.816 -3.214
70 HE2 TYR 10 HE2 TYR 10 1.916 -10.228 0.764
71 HH TYR 10 HH TYR 10 3.270 -10.725 -1.223
Start of MODEL 14
1 H1 TYR 1 H TYR 1 -0.312 1.133 -0.220
2 HA TYR 1 HA TYR 1 1.897 1.441 -2.104
3 HB2 TYR 1 2HB TYR 1 2.584 0.542 0.290
4 HB3 TYR 1 3HB TYR 1 1.956 -0.974 -0.347
5 HD1 TYR 1 HD2 TYR 1 4.583 1.565 -0.668
6 HD2 TYR 1 HD1 TYR 1 3.101 -2.147 -2.126
7 HE1 TYR 1 HE2 TYR 1 6.723 1.167 -1.814
8 HE2 TYR 1 HE1 TYR 1 5.237 -2.555 -3.276
9 HH TYR 1 HH TYR 1 7.473 -1.888 -3.297
10 H TYR 2 H TYR 2 2.097 -0.421 -3.571
11 HA TYR 2 HA TYR 2 -0.228 -2.171 -3.724
12 HB2 TYR 2 2HB TYR 2 -0.878 -0.161 -4.993
13 HB3 TYR 2 3HB TYR 2 0.558 -0.334 -5.997
14 HD1 TYR 2 HD2 TYR 2 -2.195 -2.596 -4.845
15 HD2 TYR 2 HD1 TYR 2 0.111 -1.129 -8.106
16 HE1 TYR 2 HE2 TYR 2 -3.450 -4.052 -6.380
17 HE2 TYR 2 HE1 TYR 2 -1.138 -2.580 -9.650
18 HH TYR 2 HH TYR 2 -3.689 -4.754 -8.469
19 H ASP 3 H ASP 3 0.075 -3.996 -5.069
20 HA ASP 3 HA ASP 3 2.895 -4.492 -5.766
21 HB2 ASP 3 2HB ASP 3 1.657 -5.858 -3.898
22 HB3 ASP 3 3HB ASP 3 0.946 -6.712 -5.265
23 HA PRO 4 HA PRO 4 0.443 -4.563 -9.710
24 HB2 PRO 4 2HB PRO 4 2.249 -3.118 -11.132
25 HB3 PRO 4 3HB PRO 4 0.971 -2.373 -10.165
26 HG2 PRO 4 2HG PRO 4 3.857 -2.791 -9.490
27 HG3 PRO 4 3HG PRO 4 2.838 -1.366 -9.213
28 HD2 PRO 4 2HD PRO 4 3.410 -3.151 -7.259
29 HD3 PRO 4 3HD PRO 4 1.870 -2.270 -7.327
30 H GLU 5 H GLU 5 3.587 -5.494 -8.678
31 HA GLU 5 HA GLU 5 4.459 -6.695 -11.117
32 HB2 GLU 5 2HB GLU 5 6.083 -6.028 -9.446
33 HB3 GLU 5 3HB GLU 5 5.355 -7.102 -8.260
34 HG2 GLU 5 2HG GLU 5 7.316 -8.160 -9.042
35 HG3 GLU 5 3HG GLU 5 5.951 -9.015 -9.757
36 H THR 6 H THR 6 3.494 -8.190 -8.023
37 HA THR 6 HA THR 6 3.144 -10.765 -9.194
38 HB THR 6 HB THR 6 2.004 -9.854 -6.552
39 HG1 THR 6 HG1 THR 6 4.061 -10.618 -5.718
40 HG21 THR 6 3HG2 THR 6 2.814 -12.526 -7.687
41 HG22 THR 6 1HG2 THR 6 1.213 -12.018 -7.151
42 HG23 THR 6 2HG2 THR 6 2.503 -12.260 -5.972
43 H GLY 7 H GLY 7 0.781 -8.507 -7.744
44 HA2 GLY 7 2HA GLY 7 -1.120 -8.179 -9.514
45 HA3 GLY 7 3HA GLY 7 -1.353 -9.892 -9.200
46 H THR 8 H THR 8 -0.672 -9.673 -6.373
47 HA THR 8 HA THR 8 -3.234 -9.243 -5.321
48 HB THR 8 HB THR 8 -0.661 -9.151 -3.740
49 HG1 THR 8 HG1 THR 8 -2.077 -11.301 -4.899
50 HG21 THR 8 3HG2 THR 8 -2.535 -10.504 -2.274
51 HG22 THR 8 1HG2 THR 8 -3.512 -9.277 -3.079
52 HG23 THR 8 2HG2 THR 8 -2.138 -8.797 -2.083
53 H TRP 9 H TRP 9 -4.097 -7.597 -4.047
54 HA TRP 9 HA TRP 9 -3.052 -4.956 -4.641
55 HB2 TRP 9 2HB TRP 9 -5.597 -5.946 -4.449
56 HB3 TRP 9 3HB TRP 9 -5.408 -5.147 -2.891
57 HD1 TRP 9 HD1 TRP 9 -6.594 -4.417 -6.227
58 HE1 TRP 9 HE1 TRP 9 -6.598 -1.888 -6.707
59 HE3 TRP 9 HE3 TRP 9 -3.637 -2.852 -2.361
60 HZ2 TRP 9 HZ2 TRP 9 -5.494 0.459 -5.594
61 HZ3 TRP 9 HZ3 TRP 9 -3.159 -0.448 -2.140
62 HH2 TRP 9 HH2 TRP 9 -4.068 1.171 -3.725
63 H TYR 10 H TYR 10 -1.275 -4.607 -3.375
64 HA TYR 10 HA TYR 10 -1.347 -5.166 -0.536
65 HB2 TYR 10 2HB TYR 10 0.705 -4.330 -2.504
66 HB3 TYR 10 3HB TYR 10 0.946 -3.783 -0.848
67 HD1 TYR 10 HD2 TYR 10 -0.397 -6.988 -2.216
68 HD2 TYR 10 HD1 TYR 10 2.630 -5.072 0.079
69 HE1 TYR 10 HE2 TYR 10 0.543 -9.185 -1.633
70 HE2 TYR 10 HE1 TYR 10 3.579 -7.263 0.668
71 HH TYR 10 HH TYR 10 3.352 -9.802 -0.733
Start of MODEL 15
1 H1 TYR 1 H TYR 1 2.387 0.492 0.457
2 HA TYR 1 HA TYR 1 2.532 1.206 -2.229
3 HB2 TYR 1 2HB TYR 1 4.511 0.808 -0.830
4 HB3 TYR 1 3HB TYR 1 4.131 -0.910 -0.772
5 HD1 TYR 1 HD1 TYR 1 5.407 1.821 -2.856
6 HD2 TYR 1 HD2 TYR 1 4.534 -2.340 -2.689
7 HE1 TYR 1 HE1 TYR 1 6.728 1.468 -4.900
8 HE2 TYR 1 HE2 TYR 1 5.854 -2.704 -4.732
9 HH TYR 1 HH TYR 1 6.788 -1.623 -6.538
10 H TYR 2 H TYR 2 1.355 0.433 -3.843
11 HA TYR 2 HA TYR 2 -0.012 -2.033 -3.792
12 HB2 TYR 2 2HB TYR 2 -0.739 -0.107 -5.150
13 HB3 TYR 2 3HB TYR 2 0.677 -0.302 -6.176
14 HD1 TYR 2 HD2 TYR 2 -2.011 -2.543 -4.842
15 HD2 TYR 2 HD1 TYR 2 0.218 -1.239 -8.224
16 HE1 TYR 2 HE2 TYR 2 -3.265 -4.109 -6.265
17 HE2 TYR 2 HE1 TYR 2 -1.031 -2.801 -9.656
18 HH TYR 2 HH TYR 2 -3.853 -4.183 -8.845
19 H ASP 3 H ASP 3 0.317 -3.923 -5.028
20 HA ASP 3 HA ASP 3 3.131 -4.378 -5.774
21 HB2 ASP 3 2HB ASP 3 1.957 -5.668 -3.799
22 HB3 ASP 3 3HB ASP 3 1.282 -6.634 -5.108
23 HA PRO 4 HA PRO 4 0.581 -4.752 -9.638
24 HB2 PRO 4 2HB PRO 4 2.307 -3.346 -11.192
25 HB3 PRO 4 3HB PRO 4 1.034 -2.580 -10.235
26 HG2 PRO 4 2HG PRO 4 3.947 -2.878 -9.617
27 HG3 PRO 4 3HG PRO 4 2.896 -1.468 -9.396
28 HD2 PRO 4 2HD PRO 4 3.568 -3.117 -7.357
29 HD3 PRO 4 3HD PRO 4 2.003 -2.283 -7.434
30 H GLU 5 H GLU 5 3.787 -5.522 -8.650
31 HA GLU 5 HA GLU 5 4.653 -6.826 -11.024
32 HB2 GLU 5 2HB GLU 5 5.564 -7.133 -8.159
33 HB3 GLU 5 3HB GLU 5 6.380 -7.842 -9.545
34 HG2 GLU 5 2HG GLU 5 6.439 -5.383 -10.408
35 HG3 GLU 5 3HG GLU 5 6.204 -4.990 -8.706
36 H THR 6 H THR 6 2.662 -7.751 -8.347
37 HA THR 6 HA THR 6 2.566 -10.510 -9.384
38 HB THR 6 HB THR 6 1.514 -10.857 -6.956
39 HG1 THR 6 HG1 THR 6 1.833 -8.609 -6.419
40 HG21 THR 6 3HG2 THR 6 4.143 -11.167 -8.129
41 HG22 THR 6 1HG2 THR 6 3.261 -12.246 -7.050
42 HG23 THR 6 2HG2 THR 6 4.236 -10.937 -6.384
43 H GLY 7 H GLY 7 0.629 -7.959 -7.831
44 HA2 GLY 7 2HA GLY 7 -1.470 -7.331 -8.922
45 HA3 GLY 7 3HA GLY 7 -1.719 -9.037 -9.264
46 H THR 8 H THR 8 -0.752 -7.376 -6.273
47 HA THR 8 HA THR 8 -3.158 -8.500 -4.992
48 HB THR 8 HB THR 8 -1.550 -8.273 -2.870
49 HG1 THR 8 HG1 THR 8 0.275 -9.095 -4.880
50 HG21 THR 8 3HG2 THR 8 -1.648 -10.562 -4.832
51 HG22 THR 8 1HG2 THR 8 -2.669 -10.317 -3.416
52 HG23 THR 8 2HG2 THR 8 -0.957 -10.688 -3.215
53 H TRP 9 H TRP 9 -3.964 -7.304 -3.141
54 HA TRP 9 HA TRP 9 -3.275 -4.440 -3.252
55 HB2 TRP 9 2HB TRP 9 -5.911 -5.814 -3.330
56 HB3 TRP 9 3HB TRP 9 -5.813 -4.320 -2.403
57 HD1 TRP 9 HD1 TRP 9 -6.382 -5.533 -5.833
58 HE1 TRP 9 HE1 TRP 9 -6.280 -3.589 -7.516
59 HE3 TRP 9 HE3 TRP 9 -4.311 -1.959 -2.820
60 HZ2 TRP 9 HZ2 TRP 9 -5.433 -0.897 -7.561
61 HZ3 TRP 9 HZ3 TRP 9 -3.887 0.275 -3.761
62 HH2 TRP 9 HH2 TRP 9 -4.436 0.793 -6.083
63 H TYR 10 H TYR 10 -1.759 -5.238 -1.514
64 HA TYR 10 HA TYR 10 -2.836 -6.019 1.009
65 HB2 TYR 10 2HB TYR 10 -0.120 -5.059 0.124
66 HB3 TYR 10 3HB TYR 10 -0.479 -5.411 1.811
67 HD1 TYR 10 HD1 TYR 10 -1.466 -7.780 2.292
68 HD2 TYR 10 HD2 TYR 10 0.653 -6.758 -1.253
69 HE1 TYR 10 HE1 TYR 10 -0.980 -10.160 1.903
70 HE2 TYR 10 HE2 TYR 10 1.144 -9.134 -1.652
71 HH TYR 10 HH TYR 10 -0.430 -11.626 -0.080
Start of MODEL 16
1 H1 TYR 1 H TYR 1 0.341 -0.087 0.514
2 HA TYR 1 HA TYR 1 1.929 0.597 -1.842
3 HB2 TYR 1 2HB TYR 1 2.948 -0.328 0.308
4 HB3 TYR 1 3HB TYR 1 2.219 -1.869 -0.130
5 HD1 TYR 1 HD2 TYR 1 2.794 -2.740 -2.536
6 HD2 TYR 1 HD1 TYR 1 5.091 0.154 -0.426
7 HE1 TYR 1 HE2 TYR 1 4.739 -3.264 -3.947
8 HE2 TYR 1 HE1 TYR 1 7.042 -0.361 -1.833
9 HH TYR 1 HH TYR 1 7.284 -3.075 -3.718
10 H TYR 2 H TYR 2 1.733 -0.387 -3.771
11 HA TYR 2 HA TYR 2 -0.319 -2.487 -4.004
12 HB2 TYR 2 2HB TYR 2 -0.890 -0.389 -5.159
13 HB3 TYR 2 3HB TYR 2 0.601 -0.495 -6.089
14 HD1 TYR 2 HD2 TYR 2 -2.205 -2.836 -5.267
15 HD2 TYR 2 HD1 TYR 2 0.260 -1.112 -8.277
16 HE1 TYR 2 HE2 TYR 2 -3.373 -4.164 -6.977
17 HE2 TYR 2 HE1 TYR 2 -0.902 -2.434 -9.994
18 HH TYR 2 HH TYR 2 -2.487 -3.926 -10.411
19 H ASP 3 H ASP 3 0.032 -4.196 -5.500
20 HA ASP 3 HA ASP 3 2.883 -4.689 -6.059
21 HB2 ASP 3 2HB ASP 3 0.712 -6.434 -5.024
22 HB3 ASP 3 3HB ASP 3 1.866 -7.170 -6.133
23 HA PRO 4 HA PRO 4 0.668 -4.401 -10.132
24 HB2 PRO 4 2HB PRO 4 2.567 -2.869 -11.323
25 HB3 PRO 4 3HB PRO 4 1.239 -2.189 -10.375
26 HG2 PRO 4 2HG PRO 4 4.077 -2.698 -9.568
27 HG3 PRO 4 3HG PRO 4 3.055 -1.287 -9.235
28 HD2 PRO 4 2HD PRO 4 3.495 -3.233 -7.404
29 HD3 PRO 4 3HD PRO 4 1.969 -2.329 -7.489
30 H GLU 5 H GLU 5 3.777 -5.405 -9.023
31 HA GLU 5 HA GLU 5 4.749 -6.442 -11.496
32 HB2 GLU 5 2HB GLU 5 6.196 -5.846 -9.550
33 HB3 GLU 5 3HB GLU 5 5.547 -7.237 -8.693
34 HG2 GLU 5 2HG GLU 5 6.529 -8.752 -10.232
35 HG3 GLU 5 3HG GLU 5 6.963 -7.446 -11.334
36 H THR 6 H THR 6 2.779 -7.693 -8.893
37 HA THR 6 HA THR 6 2.491 -10.214 -10.393
38 HB THR 6 HB THR 6 2.219 -9.964 -7.396
39 HG1 THR 6 HG1 THR 6 4.430 -9.664 -8.462
40 HG21 THR 6 3HG2 THR 6 1.083 -11.885 -7.930
41 HG22 THR 6 1HG2 THR 6 2.717 -12.530 -7.778
42 HG23 THR 6 2HG2 THR 6 2.049 -12.186 -9.374
43 H GLY 7 H GLY 7 0.830 -8.567 -7.693
44 HA2 GLY 7 2HA GLY 7 -1.394 -7.551 -8.598
45 HA3 GLY 7 3HA GLY 7 -1.729 -9.236 -8.967
46 H THR 8 H THR 8 -1.239 -6.898 -6.404
47 HA THR 8 HA THR 8 -2.989 -8.390 -4.668
48 HB THR 8 HB THR 8 -0.298 -7.784 -3.489
49 HG1 THR 8 HG1 THR 8 0.326 -9.919 -3.991
50 HG21 THR 8 3HG2 THR 8 -0.981 -9.101 -1.736
51 HG22 THR 8 1HG2 THR 8 -2.044 -10.083 -2.744
52 HG23 THR 8 2HG2 THR 8 -2.536 -8.459 -2.264
53 H TRP 9 H TRP 9 -3.921 -7.125 -3.093
54 HA TRP 9 HA TRP 9 -3.155 -4.280 -3.134
55 HB2 TRP 9 2HB TRP 9 -5.821 -5.642 -2.913
56 HB3 TRP 9 3HB TRP 9 -5.601 -4.016 -2.274
57 HD1 TRP 9 HD1 TRP 9 -6.427 -5.804 -5.404
58 HE1 TRP 9 HE1 TRP 9 -6.435 -4.175 -7.397
59 HE3 TRP 9 HE3 TRP 9 -4.162 -1.793 -3.184
60 HZ2 TRP 9 HZ2 TRP 9 -5.593 -1.539 -7.954
61 HZ3 TRP 9 HZ3 TRP 9 -3.800 0.243 -4.517
62 HH2 TRP 9 HH2 TRP 9 -4.501 0.365 -6.852
63 H TYR 10 H TYR 10 -2.105 -6.446 -1.401
64 HA TYR 10 HA TYR 10 -3.133 -6.458 1.159
65 HB2 TYR 10 2HB TYR 10 -1.033 -7.250 1.891
66 HB3 TYR 10 3HB TYR 10 -1.161 -7.787 0.220
67 HD1 TYR 10 HD1 TYR 10 -0.271 -5.788 -1.471
68 HD2 TYR 10 HD2 TYR 10 1.076 -6.562 2.490
69 HE1 TYR 10 HE1 TYR 10 1.869 -4.693 -1.991
70 HE2 TYR 10 HE2 TYR 10 3.219 -5.468 1.982
71 HH TYR 10 HH TYR 10 4.114 -4.585 -1.234
Start of MODEL 17
1 H1 TYR 1 H TYR 1 0.712 0.275 0.403
2 HA TYR 1 HA TYR 1 1.981 0.732 -2.094
3 HB2 TYR 1 2HB TYR 1 3.130 -0.020 0.010
4 HB3 TYR 1 3HB TYR 1 2.409 -1.608 -0.229
5 HD1 TYR 1 HD2 TYR 1 2.929 -2.799 -2.461
6 HD2 TYR 1 HD1 TYR 1 5.180 0.491 -0.974
7 HE1 TYR 1 HE2 TYR 1 4.812 -3.442 -3.906
8 HE2 TYR 1 HE1 TYR 1 7.070 -0.142 -2.416
9 HH TYR 1 HH TYR 1 7.653 -2.838 -3.605
10 H TYR 2 H TYR 2 1.367 -0.002 -4.006
11 HA TYR 2 HA TYR 2 -0.411 -2.311 -4.167
12 HB2 TYR 2 2HB TYR 2 -1.037 -0.267 -5.384
13 HB3 TYR 2 3HB TYR 2 0.458 -0.358 -6.309
14 HD1 TYR 2 HD1 TYR 2 -2.284 -2.751 -5.425
15 HD2 TYR 2 HD2 TYR 2 0.143 -1.049 -8.478
16 HE1 TYR 2 HE1 TYR 2 -3.411 -4.159 -7.098
17 HE2 TYR 2 HE2 TYR 2 -0.978 -2.452 -10.159
18 HH TYR 2 HH TYR 2 -2.233 -4.676 -10.158
19 H ASP 3 H ASP 3 -0.016 -4.060 -5.599
20 HA ASP 3 HA ASP 3 2.846 -4.496 -6.152
21 HB2 ASP 3 2HB ASP 3 1.490 -5.966 -4.434
22 HB3 ASP 3 3HB ASP 3 0.919 -6.770 -5.893
23 HA PRO 4 HA PRO 4 0.624 -4.393 -10.229
24 HB2 PRO 4 2HB PRO 4 2.490 -2.862 -11.472
25 HB3 PRO 4 3HB PRO 4 1.150 -2.179 -10.545
26 HG2 PRO 4 2HG PRO 4 3.998 -2.602 -9.726
27 HG3 PRO 4 3HG PRO 4 2.947 -1.203 -9.438
28 HD2 PRO 4 2HD PRO 4 3.428 -3.078 -7.545
29 HD3 PRO 4 3HD PRO 4 1.884 -2.209 -7.658
30 H GLU 5 H GLU 5 3.748 -5.304 -9.087
31 HA GLU 5 HA GLU 5 4.699 -6.428 -11.545
32 HB2 GLU 5 2HB GLU 5 6.476 -7.410 -10.153
33 HB3 GLU 5 3HB GLU 5 6.275 -5.691 -9.845
34 HG2 GLU 5 2HG GLU 5 5.051 -6.164 -7.814
35 HG3 GLU 5 3HG GLU 5 5.146 -7.894 -8.135
36 H THR 6 H THR 6 2.873 -7.577 -8.796
37 HA THR 6 HA THR 6 2.725 -10.240 -10.054
38 HB THR 6 HB THR 6 2.169 -9.726 -7.139
39 HG1 THR 6 HG1 THR 6 4.646 -10.640 -8.200
40 HG21 THR 6 3HG2 THR 6 1.446 -11.845 -7.414
41 HG22 THR 6 1HG2 THR 6 3.162 -12.245 -7.371
42 HG23 THR 6 2HG2 THR 6 2.338 -12.062 -8.919
43 H GLY 7 H GLY 7 0.821 -8.403 -7.654
44 HA2 GLY 7 2HA GLY 7 -1.378 -7.562 -8.684
45 HA3 GLY 7 3HA GLY 7 -1.608 -9.257 -9.088
46 H THR 8 H THR 8 -1.124 -7.043 -6.366
47 HA THR 8 HA THR 8 -3.136 -8.420 -4.837
48 HB THR 8 HB THR 8 -0.388 -8.308 -3.602
49 HG1 THR 8 HG1 THR 8 -1.606 -10.660 -4.624
50 HG21 THR 8 3HG2 THR 8 -2.634 -10.127 -2.822
51 HG22 THR 8 1HG2 THR 8 -2.625 -8.451 -2.276
52 HG23 THR 8 2HG2 THR 8 -1.294 -9.525 -1.847
53 H TRP 9 H TRP 9 -4.064 -7.110 -3.337
54 HA TRP 9 HA TRP 9 -2.988 -4.386 -3.154
55 HB2 TRP 9 2HB TRP 9 -5.737 -5.554 -2.928
56 HB3 TRP 9 3HB TRP 9 -5.385 -4.018 -2.140
57 HD1 TRP 9 HD1 TRP 9 -6.415 -5.428 -5.402
58 HE1 TRP 9 HE1 TRP 9 -6.365 -3.611 -7.224
59 HE3 TRP 9 HE3 TRP 9 -3.825 -1.816 -2.876
60 HZ2 TRP 9 HZ2 TRP 9 -5.359 -0.993 -7.549
61 HZ3 TRP 9 HZ3 TRP 9 -3.359 0.316 -4.014
62 HH2 TRP 9 HH2 TRP 9 -4.111 0.716 -6.302
63 H TYR 10 H TYR 10 -2.054 -6.720 -1.570
64 HA TYR 10 HA TYR 10 -2.970 -6.767 1.032
65 HB2 TYR 10 2HB TYR 10 -0.919 -7.771 1.630
66 HB3 TYR 10 3HB TYR 10 -1.165 -8.214 -0.056
67 HD1 TYR 10 HD1 TYR 10 -0.174 -6.220 -1.696
68 HD2 TYR 10 HD2 TYR 10 1.265 -7.297 2.161
69 HE1 TYR 10 HE1 TYR 10 2.031 -5.291 -2.265
70 HE2 TYR 10 HE2 TYR 10 3.473 -6.369 1.603
71 HH TYR 10 HH TYR 10 4.092 -4.298 -0.612
Start of MODEL 18
1 H1 TYR 1 H TYR 1 0.379 0.526 -0.517
2 HA TYR 1 HA TYR 1 2.420 1.149 -2.438
3 HB2 TYR 1 2HB TYR 1 3.732 0.591 -0.373
4 HB3 TYR 1 3HB TYR 1 3.024 -1.020 -0.420
5 HD1 TYR 1 HD2 TYR 1 3.436 -2.433 -2.516
6 HD2 TYR 1 HD1 TYR 1 5.664 1.075 -1.602
7 HE1 TYR 1 HE2 TYR 1 5.221 -3.179 -4.034
8 HE2 TYR 1 HE1 TYR 1 7.455 0.339 -3.119
9 HH TYR 1 HH TYR 1 7.070 -2.426 -5.211
10 H TYR 2 H TYR 2 1.620 0.290 -4.226
11 HA TYR 2 HA TYR 2 -0.109 -2.045 -4.087
12 HB2 TYR 2 2HB TYR 2 -0.812 -0.127 -5.450
13 HB3 TYR 2 3HB TYR 2 0.638 -0.289 -6.436
14 HD1 TYR 2 HD1 TYR 2 -2.050 -2.596 -5.220
15 HD2 TYR 2 HD2 TYR 2 0.240 -1.182 -8.515
16 HE1 TYR 2 HE1 TYR 2 -3.243 -4.150 -6.708
17 HE2 TYR 2 HE2 TYR 2 -0.948 -2.730 -10.013
18 HH TYR 2 HH TYR 2 -2.968 -5.238 -8.835
19 H ASP 3 H ASP 3 0.211 -3.920 -5.370
20 HA ASP 3 HA ASP 3 3.039 -4.416 -6.031
21 HB2 ASP 3 2HB ASP 3 0.980 -6.057 -4.662
22 HB3 ASP 3 3HB ASP 3 2.066 -6.909 -5.757
23 HA PRO 4 HA PRO 4 0.616 -4.662 -9.985
24 HB2 PRO 4 2HB PRO 4 2.420 -3.260 -11.451
25 HB3 PRO 4 3HB PRO 4 1.130 -2.488 -10.522
26 HG2 PRO 4 2HG PRO 4 4.014 -2.856 -9.812
27 HG3 PRO 4 3HG PRO 4 2.983 -1.430 -9.598
28 HD2 PRO 4 2HD PRO 4 3.554 -3.133 -7.571
29 HD3 PRO 4 3HD PRO 4 2.009 -2.266 -7.684
30 H GLU 5 H GLU 5 3.785 -5.497 -8.918
31 HA GLU 5 HA GLU 5 4.691 -6.782 -11.288
32 HB2 GLU 5 2HB GLU 5 5.549 -6.715 -8.434
33 HB3 GLU 5 3HB GLU 5 6.159 -8.014 -9.449
34 HG2 GLU 5 2HG GLU 5 6.774 -6.083 -11.079
35 HG3 GLU 5 3HG GLU 5 6.642 -5.079 -9.637
36 H THR 6 H THR 6 2.655 -7.729 -8.642
37 HA THR 6 HA THR 6 2.499 -10.451 -9.764
38 HB THR 6 HB THR 6 1.521 -10.933 -7.361
39 HG1 THR 6 HG1 THR 6 2.963 -9.586 -5.900
40 HG21 THR 6 3HG2 THR 6 4.142 -11.046 -6.675
41 HG22 THR 6 1HG2 THR 6 4.266 -10.913 -8.429
42 HG23 THR 6 2HG2 THR 6 3.339 -12.228 -7.707
43 H GLY 7 H GLY 7 0.519 -8.402 -7.609
44 HA2 GLY 7 2HA GLY 7 -1.571 -7.516 -8.752
45 HA3 GLY 7 3HA GLY 7 -1.830 -9.192 -9.213
46 H THR 8 H THR 8 -1.282 -7.191 -6.321
47 HA THR 8 HA THR 8 -3.542 -8.444 -5.015
48 HB THR 8 HB THR 8 -0.934 -8.541 -3.524
49 HG1 THR 8 HG1 THR 8 -0.694 -9.841 -5.405
50 HG21 THR 8 3HG2 THR 8 -3.017 -10.555 -3.074
51 HG22 THR 8 1HG2 THR 8 -3.522 -8.902 -2.727
52 HG23 THR 8 2HG2 THR 8 -2.112 -9.583 -1.915
53 H TRP 9 H TRP 9 -4.454 -7.162 -3.465
54 HA TRP 9 HA TRP 9 -3.207 -4.528 -3.088
55 HB2 TRP 9 2HB TRP 9 -6.043 -5.471 -3.197
56 HB3 TRP 9 3HB TRP 9 -5.662 -4.029 -2.259
57 HD1 TRP 9 HD1 TRP 9 -6.404 -5.136 -5.723
58 HE1 TRP 9 HE1 TRP 9 -6.053 -3.194 -7.376
59 HE3 TRP 9 HE3 TRP 9 -3.947 -1.880 -2.641
60 HZ2 TRP 9 HZ2 TRP 9 -4.888 -0.623 -7.374
61 HZ3 TRP 9 HZ3 TRP 9 -3.248 0.299 -3.544
62 HH2 TRP 9 HH2 TRP 9 -3.710 0.913 -5.862
63 H TYR 10 H TYR 10 -2.613 -7.003 -1.555
64 HA TYR 10 HA TYR 10 -3.766 -7.092 0.950
65 HB2 TYR 10 2HB TYR 10 -1.864 -8.289 1.673
66 HB3 TYR 10 3HB TYR 10 -1.987 -8.633 -0.049
67 HD1 TYR 10 HD1 TYR 10 -0.695 -6.657 -1.488
68 HD2 TYR 10 HD2 TYR 10 0.292 -8.021 2.419
69 HE1 TYR 10 HE1 TYR 10 1.618 -5.889 -1.811
70 HE2 TYR 10 HE2 TYR 10 2.609 -7.255 2.107
71 HH TYR 10 HH TYR 10 4.132 -6.857 -0.106
Start of MODEL 19
1 H1 TYR 1 H TYR 1 1.133 0.520 0.556
2 HA TYR 1 HA TYR 1 1.950 1.486 -2.075
3 HB2 TYR 1 2HB TYR 1 3.603 0.800 -0.255
4 HB3 TYR 1 3HB TYR 1 3.113 -0.860 -0.577
5 HD1 TYR 1 HD1 TYR 1 4.461 2.167 -2.284
6 HD2 TYR 1 HD2 TYR 1 4.189 -2.078 -2.242
7 HE1 TYR 1 HE1 TYR 1 6.091 2.051 -4.122
8 HE2 TYR 1 HE2 TYR 1 5.820 -2.207 -4.079
9 HH TYR 1 HH TYR 1 6.606 -0.692 -5.950
10 H TYR 2 H TYR 2 1.979 0.143 -3.921
11 HA TYR 2 HA TYR 2 0.027 -2.062 -3.809
12 HB2 TYR 2 2HB TYR 2 -0.727 -0.142 -5.149
13 HB3 TYR 2 3HB TYR 2 0.720 -0.263 -6.143
14 HD1 TYR 2 HD2 TYR 2 -1.925 -2.624 -4.936
15 HD2 TYR 2 HD1 TYR 2 0.346 -1.164 -8.224
16 HE1 TYR 2 HE2 TYR 2 -3.089 -4.193 -6.429
17 HE2 TYR 2 HE1 TYR 2 -0.813 -2.729 -9.727
18 HH TYR 2 HH TYR 2 -3.609 -4.221 -9.024
19 H ASP 3 H ASP 3 0.409 -3.921 -5.081
20 HA ASP 3 HA ASP 3 3.246 -4.316 -5.776
21 HB2 ASP 3 2HB ASP 3 2.478 -6.830 -5.474
22 HB3 ASP 3 3HB ASP 3 2.947 -5.850 -4.088
23 HA PRO 4 HA PRO 4 0.793 -4.642 -9.704
24 HB2 PRO 4 2HB PRO 4 2.536 -3.183 -11.188
25 HB3 PRO 4 3HB PRO 4 1.232 -2.453 -10.246
26 HG2 PRO 4 2HG PRO 4 4.134 -2.729 -9.566
27 HG3 PRO 4 3HG PRO 4 3.059 -1.336 -9.341
28 HD2 PRO 4 2HD PRO 4 3.705 -3.020 -7.320
29 HD3 PRO 4 3HD PRO 4 2.132 -2.204 -7.417
30 H GLU 5 H GLU 5 3.989 -5.387 -8.662
31 HA GLU 5 HA GLU 5 4.879 -6.666 -11.056
32 HB2 GLU 5 2HB GLU 5 6.370 -5.764 -9.233
33 HB3 GLU 5 3HB GLU 5 5.884 -7.136 -8.248
34 HG2 GLU 5 2HG GLU 5 7.926 -7.766 -9.173
35 HG3 GLU 5 3HG GLU 5 6.720 -8.597 -10.154
36 H THR 6 H THR 6 2.964 -7.616 -8.332
37 HA THR 6 HA THR 6 3.050 -10.424 -9.210
38 HB THR 6 HB THR 6 2.069 -9.300 -6.578
39 HG1 THR 6 HG1 THR 6 4.037 -10.678 -5.958
40 HG21 THR 6 3HG2 THR 6 0.897 -11.253 -6.670
41 HG22 THR 6 1HG2 THR 6 2.431 -11.898 -6.088
42 HG23 THR 6 2HG2 THR 6 2.024 -12.004 -7.800
43 H GLY 7 H GLY 7 0.637 -8.311 -7.635
44 HA2 GLY 7 2HA GLY 7 -1.315 -7.748 -9.160
45 HA3 GLY 7 3HA GLY 7 -1.387 -9.482 -9.437
46 H THR 8 H THR 8 -1.013 -7.465 -6.521
47 HA THR 8 HA THR 8 -3.529 -8.535 -5.489
48 HB THR 8 HB THR 8 -1.289 -8.515 -3.542
49 HG1 THR 8 HG1 THR 8 -1.663 -10.664 -5.377
50 HG21 THR 8 3HG2 THR 8 -2.574 -10.705 -2.958
51 HG22 THR 8 1HG2 THR 8 -3.824 -10.036 -4.007
52 HG23 THR 8 2HG2 THR 8 -3.301 -9.144 -2.579
53 H TRP 9 H TRP 9 -4.032 -7.474 -3.300
54 HA TRP 9 HA TRP 9 -3.081 -4.687 -3.302
55 HB2 TRP 9 2HB TRP 9 -5.852 -5.754 -3.385
56 HB3 TRP 9 3HB TRP 9 -5.568 -4.359 -2.347
57 HD1 TRP 9 HD1 TRP 9 -6.378 -5.209 -5.830
58 HE1 TRP 9 HE1 TRP 9 -6.096 -3.160 -7.362
59 HE3 TRP 9 HE3 TRP 9 -3.792 -2.162 -2.642
60 HZ2 TRP 9 HZ2 TRP 9 -4.931 -0.592 -7.236
61 HZ3 TRP 9 HZ3 TRP 9 -3.131 0.075 -3.425
62 HH2 TRP 9 HH2 TRP 9 -3.689 0.842 -5.675
63 H TYR 10 H TYR 10 -1.621 -5.226 -1.623
64 HA TYR 10 HA TYR 10 -2.851 -5.169 1.006
65 HB2 TYR 10 2HB TYR 10 -1.805 -7.101 1.873
66 HB3 TYR 10 3HB TYR 10 -2.489 -7.609 0.333
67 HD1 TYR 10 HD2 TYR 10 -0.702 -7.068 -1.705
68 HD2 TYR 10 HD1 TYR 10 0.252 -8.015 2.332
69 HE1 TYR 10 HE2 TYR 10 1.507 -7.877 -2.422
70 HE2 TYR 10 HE1 TYR 10 2.464 -8.825 1.626
71 HH TYR 10 HH TYR 10 3.812 -8.157 -1.320
Start of MODEL 20
1 H1 TYR 1 H TYR 1 0.109 0.492 0.044
2 HA TYR 1 HA TYR 1 1.757 1.254 -2.235
3 HB2 TYR 1 2HB TYR 1 2.500 0.037 -0.007
4 HB3 TYR 1 3HB TYR 1 2.003 -1.402 -0.891
5 HD1 TYR 1 HD2 TYR 1 4.221 1.575 -1.118
6 HD2 TYR 1 HD1 TYR 1 3.447 -2.394 -2.441
7 HE1 TYR 1 HE2 TYR 1 6.393 1.542 -2.271
8 HE2 TYR 1 HE1 TYR 1 5.618 -2.438 -3.597
9 HH TYR 1 HH TYR 1 7.645 -1.381 -3.748
10 H TYR 2 H TYR 2 2.226 -0.561 -3.844
11 HA TYR 2 HA TYR 2 -0.009 -2.330 -4.377
12 HB2 TYR 2 2HB TYR 2 -0.289 0.109 -5.433
13 HB3 TYR 2 3HB TYR 2 0.736 -0.595 -6.678
14 HD1 TYR 2 HD2 TYR 2 -0.132 -3.241 -7.095
15 HD2 TYR 2 HD1 TYR 2 -2.499 0.143 -6.071
16 HE1 TYR 2 HE2 TYR 2 -2.097 -4.315 -8.112
17 HE2 TYR 2 HE1 TYR 2 -4.471 -0.922 -7.084
18 HH TYR 2 HH TYR 2 -4.376 -4.233 -8.247
19 H ASP 3 H ASP 3 0.794 -4.200 -5.038
20 HA ASP 3 HA ASP 3 3.418 -4.209 -6.377
21 HB2 ASP 3 2HB ASP 3 2.242 -5.911 -4.263
22 HB3 ASP 3 3HB ASP 3 3.159 -6.759 -5.504
23 HA PRO 4 HA PRO 4 0.300 -5.726 -9.459
24 HB2 PRO 4 2HB PRO 4 1.334 -4.323 -11.541
25 HB3 PRO 4 3HB PRO 4 0.143 -3.646 -10.424
26 HG2 PRO 4 2HG PRO 4 3.116 -3.296 -10.464
27 HG3 PRO 4 3HG PRO 4 1.850 -2.085 -10.191
28 HD2 PRO 4 2HD PRO 4 3.258 -3.201 -8.166
29 HD3 PRO 4 3HD PRO 4 1.566 -2.693 -7.986
30 H GLU 5 H GLU 5 3.736 -5.691 -9.173
31 HA GLU 5 HA GLU 5 4.582 -7.014 -11.446
32 HB2 GLU 5 2HB GLU 5 6.417 -7.933 -9.995
33 HB3 GLU 5 3HB GLU 5 6.205 -6.190 -9.903
34 HG2 GLU 5 2HG GLU 5 4.893 -6.514 -7.823
35 HG3 GLU 5 3HG GLU 5 5.280 -8.232 -7.897
36 H THR 6 H THR 6 3.015 -8.301 -8.579
37 HA THR 6 HA THR 6 3.067 -10.987 -9.785
38 HB THR 6 HB THR 6 2.203 -10.609 -6.960
39 HG1 THR 6 HG1 THR 6 4.521 -10.760 -6.408
40 HG21 THR 6 3HG2 THR 6 2.140 -12.837 -7.568
41 HG22 THR 6 1HG2 THR 6 3.751 -12.717 -6.864
42 HG23 THR 6 2HG2 THR 6 3.551 -12.700 -8.616
43 H GLY 7 H GLY 7 1.031 -8.394 -8.705
44 HA2 GLY 7 2HA GLY 7 -1.172 -8.196 -9.685
45 HA3 GLY 7 3HA GLY 7 -1.313 -9.945 -9.596
46 H THR 8 H THR 8 -0.319 -7.553 -7.162
47 HA THR 8 HA THR 8 -2.637 -8.356 -5.537
48 HB THR 8 HB THR 8 -0.535 -7.693 -3.760
49 HG1 THR 8 HG1 THR 8 0.227 -9.776 -5.546
50 HG21 THR 8 3HG2 THR 8 -2.058 -10.187 -4.447
51 HG22 THR 8 1HG2 THR 8 -2.202 -9.156 -3.024
52 HG23 THR 8 2HG2 THR 8 -0.795 -10.202 -3.216
53 H TRP 9 H TRP 9 -3.087 -6.804 -3.750
54 HA TRP 9 HA TRP 9 -2.726 -4.071 -4.739
55 HB2 TRP 9 2HB TRP 9 -4.965 -5.401 -3.827
56 HB3 TRP 9 3HB TRP 9 -4.497 -4.428 -2.436
57 HD1 TRP 9 HD1 TRP 9 -6.474 -4.211 -5.512
58 HE1 TRP 9 HE1 TRP 9 -7.043 -1.764 -6.074
59 HE3 TRP 9 HE3 TRP 9 -3.212 -1.873 -2.345
60 HZ2 TRP 9 HZ2 TRP 9 -6.217 0.816 -5.279
61 HZ3 TRP 9 HZ3 TRP 9 -3.164 0.587 -2.307
62 HH2 TRP 9 HH2 TRP 9 -4.636 1.902 -3.745
63 H TYR 10 H TYR 10 -2.581 -5.887 -1.679
64 HA TYR 10 HA TYR 10 -1.645 -3.889 -0.021
65 HB2 TYR 10 2HB TYR 10 -1.058 -5.566 1.491
66 HB3 TYR 10 3HB TYR 10 -2.287 -6.348 0.504
67 HD1 TYR 10 HD2 TYR 10 -0.935 -7.236 -1.851
68 HD2 TYR 10 HD1 TYR 10 0.515 -7.120 2.147
69 HE1 TYR 10 HE2 TYR 10 0.637 -9.054 -2.375
70 HE2 TYR 10 HE1 TYR 10 2.091 -8.937 1.635
71 HH TYR 10 HH TYR 10 3.021 -9.795 -1.285