Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
498229 | 2l7t RC | 17377 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 1HT GLU 1 -11.763 4.694 -1.514
2 H2 GLU 1 2HT GLU 1 -11.521 2.999 -1.382
3 H3 GLU 1 3HT GLU 1 -12.395 3.642 -2.711
4 HA GLU 1 HA GLU 1 -10.347 3.156 -3.567
5 HB2 GLU 1 2HB GLU 1 -10.711 6.034 -2.786
6 HB3 GLU 1 1HB GLU 1 -9.307 5.545 -3.723
7 HG2 GLU 1 2HG GLU 1 -10.525 5.115 -5.589
8 HG3 GLU 1 1HG GLU 1 -11.966 4.660 -4.681
9 H GLU 2 H GLU 2 -9.812 1.966 -1.298
10 HA GLU 2 HA GLU 2 -7.630 3.268 0.103
11 HB2 GLU 2 2HB GLU 2 -9.511 1.558 0.970
12 HB3 GLU 2 1HB GLU 2 -8.241 0.405 0.585
13 HG2 GLU 2 2HG GLU 2 -6.946 2.414 1.990
14 HG3 GLU 2 1HG GLU 2 -8.486 2.213 2.824
15 H LEU 3 H LEU 3 -5.591 2.008 0.477
16 HA LEU 3 HA LEU 3 -4.781 0.607 -1.984
17 HB2 LEU 3 2HB LEU 3 -3.842 2.916 -1.729
18 HB3 LEU 3 1HB LEU 3 -3.024 2.367 -0.278
19 HG LEU 3 HG LEU 3 -1.979 0.568 -1.841
20 HD11 LEU 3 1HD1 LEU 3 -2.601 2.688 -3.883
21 HD12 LEU 3 2HD1 LEU 3 -3.501 1.177 -3.738
22 HD13 LEU 3 3HD1 LEU 3 -1.783 1.147 -4.135
23 HD21 LEU 3 3HD2 LEU 3 -0.451 2.016 -0.942
24 HD22 LEU 3 1HD2 LEU 3 -1.283 3.447 -1.550
25 HD23 LEU 3 2HD2 LEU 3 -0.328 2.450 -2.647
26 HA PRO 4 HA PRO 4 -3.790 -2.913 0.501
27 HB2 PRO 4 2HB PRO 4 -1.495 -3.663 -0.924
28 HB3 PRO 4 1HB PRO 4 -3.145 -4.191 -1.252
29 HG2 PRO 4 2HG PRO 4 -1.550 -2.040 -2.555
30 HG3 PRO 4 1HG PRO 4 -2.743 -3.144 -3.263
31 HD2 PRO 4 2HD PRO 4 -3.336 -0.582 -2.770
32 HD3 PRO 4 1HD PRO 4 -4.539 -1.868 -2.535
33 H TRP 5 H TRP 5 -1.392 -0.467 -0.247
34 HA TRP 5 HA TRP 5 -0.136 -0.987 2.357
35 HB2 TRP 5 2HB TRP 5 2.082 -0.462 1.347
36 HB3 TRP 5 1HB TRP 5 1.365 -1.943 0.719
37 HD1 TRP 5 HD TRP 5 2.007 1.704 -0.318
38 HE1 TRP 5 1HE TRP 5 2.035 1.826 -2.889
39 HE3 TRP 5 3HE TRP 5 0.639 -3.079 -1.337
40 HZ2 TRP 5 2HZ TRP 5 1.534 0.094 -5.070
41 HZ3 TRP 5 3HZ TRP 5 0.428 -3.789 -3.687
42 HH2 TRP 5 HH TRP 5 0.868 -2.229 -5.515
43 H ASP 6 H ASP 6 1.604 0.983 2.609
44 HA ASP 6 HA ASP 6 0.058 3.445 2.116
45 HB2 ASP 6 2HB ASP 6 1.518 2.498 4.560
46 HB3 ASP 6 1HB ASP 6 1.334 4.224 4.263
47 H GLU 7 H GLU 7 3.340 2.240 2.810
48 HA GLU 7 HA GLU 7 4.372 4.208 0.888
49 HB2 GLU 7 2HB GLU 7 4.713 5.013 3.229
50 HB3 GLU 7 1HB GLU 7 5.682 3.579 3.538
51 HG2 GLU 7 2HG GLU 7 6.822 4.642 1.266
52 HG3 GLU 7 1HG GLU 7 6.395 6.062 2.221
53 H LEU 8 H LEU 8 3.823 1.465 0.445
54 HA LEU 8 HA LEU 8 6.438 0.159 0.477
55 HB2 LEU 8 2HB LEU 8 4.314 -1.027 1.175
56 HB3 LEU 8 1HB LEU 8 3.824 -0.971 -0.508
57 HG LEU 8 HG LEU 8 6.481 -2.155 0.054
58 HD11 LEU 8 1HD1 LEU 8 4.194 -3.996 0.374
59 HD12 LEU 8 2HD1 LEU 8 4.566 -2.949 1.744
60 HD13 LEU 8 3HD1 LEU 8 5.798 -4.036 1.106
61 HD21 LEU 8 3HD2 LEU 8 6.148 -3.196 -1.921
62 HD22 LEU 8 1HD2 LEU 8 4.976 -1.901 -2.159
63 HD23 LEU 8 2HD2 LEU 8 4.438 -3.485 -1.603
64 H ASP 9 H ASP 9 4.117 1.578 -1.709
65 HA ASP 9 HA ASP 9 6.093 1.620 -3.816
66 HB2 ASP 9 2HB ASP 9 3.775 -0.218 -3.861
67 HB3 ASP 9 1HB ASP 9 4.041 0.708 -5.338
68 H LEU 10 H LEU 10 5.940 3.861 -3.584
69 HA LEU 10 HA LEU 10 3.405 5.035 -4.530
70 HB2 LEU 10 2HB LEU 10 4.707 5.521 -2.133
71 HB3 LEU 10 1HB LEU 10 5.195 6.871 -3.141
72 HG LEU 10 HG LEU 10 3.227 7.437 -1.823
73 HD11 LEU 10 1HD1 LEU 10 3.597 8.015 -4.404
74 HD12 LEU 10 2HD1 LEU 10 2.212 8.594 -3.480
75 HD13 LEU 10 3HD1 LEU 10 2.048 7.180 -4.520
76 HD21 LEU 10 3HD2 LEU 10 1.451 5.618 -3.318
77 HD22 LEU 10 1HD2 LEU 10 1.364 6.174 -1.645
78 HD23 LEU 10 2HD2 LEU 10 2.469 4.871 -2.087
79 H GLY 11 H GLY 11 5.428 4.084 -6.271
80 HA2 GLY 11 2HA GLY 11 5.942 5.125 -8.378
81 HA3 GLY 11 1HA GLY 11 6.206 6.635 -7.518
Start of MODEL 2
1 H1 GLU 1 1HT GLU 1 -7.244 4.581 5.588
2 H2 GLU 1 2HT GLU 1 -7.530 2.890 5.519
3 H3 GLU 1 3HT GLU 1 -8.750 3.990 5.020
4 HA GLU 1 HA GLU 1 -7.525 4.663 3.175
5 HB2 GLU 1 2HB GLU 1 -5.348 3.091 4.533
6 HB3 GLU 1 1HB GLU 1 -5.271 3.450 2.813
7 HG2 GLU 1 2HG GLU 1 -5.390 5.844 3.317
8 HG3 GLU 1 1HG GLU 1 -5.438 5.471 5.039
9 H GLU 2 H GLU 2 -7.278 3.409 1.189
10 HA GLU 2 HA GLU 2 -8.561 0.772 1.428
11 HB2 GLU 2 2HB GLU 2 -8.618 2.788 -0.819
12 HB3 GLU 2 1HB GLU 2 -9.286 1.167 -0.940
13 HG2 GLU 2 2HG GLU 2 -11.139 1.728 0.158
14 HG3 GLU 2 1HG GLU 2 -10.247 2.622 1.388
15 H LEU 3 H LEU 3 -5.856 2.522 0.104
16 HA LEU 3 HA LEU 3 -4.941 0.703 -1.791
17 HB2 LEU 3 2HB LEU 3 -4.064 3.014 -1.380
18 HB3 LEU 3 1HB LEU 3 -3.209 2.383 0.016
19 HG LEU 3 HG LEU 3 -2.151 0.726 -1.694
20 HD11 LEU 3 1HD1 LEU 3 -2.274 1.168 -3.906
21 HD12 LEU 3 2HD1 LEU 3 -2.440 2.908 -3.664
22 HD13 LEU 3 3HD1 LEU 3 -3.834 1.849 -3.443
23 HD21 LEU 3 3HD2 LEU 3 -0.562 2.061 -0.809
24 HD22 LEU 3 1HD2 LEU 3 -1.508 3.531 -1.048
25 HD23 LEU 3 2HD2 LEU 3 -0.624 2.821 -2.399
26 HA PRO 4 HA PRO 4 -3.818 -2.946 0.433
27 HB2 PRO 4 2HB PRO 4 -1.556 -3.561 -1.100
28 HB3 PRO 4 1HB PRO 4 -3.208 -4.088 -1.427
29 HG2 PRO 4 2HG PRO 4 -1.670 -1.828 -2.610
30 HG3 PRO 4 1HG PRO 4 -2.862 -2.898 -3.367
31 HD2 PRO 4 2HD PRO 4 -3.476 -0.382 -2.680
32 HD3 PRO 4 1HD PRO 4 -4.657 -1.700 -2.520
33 H TRP 5 H TRP 5 -1.497 -0.399 -0.208
34 HA TRP 5 HA TRP 5 -0.170 -1.054 2.327
35 HB2 TRP 5 2HB TRP 5 2.025 -0.481 1.315
36 HB3 TRP 5 1HB TRP 5 1.295 -1.913 0.597
37 HD1 TRP 5 HD TRP 5 1.946 1.793 -0.197
38 HE1 TRP 5 1HE TRP 5 1.945 2.088 -2.755
39 HE3 TRP 5 3HE TRP 5 0.538 -2.904 -1.522
40 HZ2 TRP 5 2HZ TRP 5 1.411 0.511 -5.042
41 HZ3 TRP 5 3HZ TRP 5 0.297 -3.452 -3.912
42 HH2 TRP 5 HH TRP 5 0.726 -1.775 -5.637
43 H ASP 6 H ASP 6 1.567 0.920 2.633
44 HA ASP 6 HA ASP 6 -0.054 3.368 2.385
45 HB2 ASP 6 2HB ASP 6 0.371 2.386 4.719
46 HB3 ASP 6 1HB ASP 6 2.040 2.906 4.503
47 H GLU 7 H GLU 7 3.282 2.147 2.511
48 HA GLU 7 HA GLU 7 4.058 4.149 0.550
49 HB2 GLU 7 2HB GLU 7 5.017 4.091 3.370
50 HB3 GLU 7 1HB GLU 7 6.185 4.475 2.112
51 HG2 GLU 7 2HG GLU 7 3.700 5.955 1.832
52 HG3 GLU 7 1HG GLU 7 4.508 6.247 3.372
53 H LEU 8 H LEU 8 3.755 1.293 0.471
54 HA LEU 8 HA LEU 8 6.367 0.102 0.597
55 HB2 LEU 8 2HB LEU 8 4.389 -1.244 1.015
56 HB3 LEU 8 1HB LEU 8 3.773 -0.883 -0.587
57 HG LEU 8 HG LEU 8 6.078 -2.002 -1.318
58 HD11 LEU 8 1HD1 LEU 8 5.654 -2.813 1.495
59 HD12 LEU 8 2HD1 LEU 8 7.146 -2.665 0.564
60 HD13 LEU 8 3HD1 LEU 8 6.113 -4.079 0.356
61 HD21 LEU 8 3HD2 LEU 8 4.721 -4.245 -1.172
62 HD22 LEU 8 1HD2 LEU 8 4.195 -2.938 -2.233
63 HD23 LEU 8 2HD2 LEU 8 3.415 -3.172 -0.670
64 H ASP 9 H ASP 9 4.341 1.537 -1.872
65 HA ASP 9 HA ASP 9 6.611 1.640 -3.672
66 HB2 ASP 9 2HB ASP 9 5.064 -0.518 -3.999
67 HB3 ASP 9 1HB ASP 9 4.114 0.629 -4.937
68 H LEU 10 H LEU 10 5.213 3.634 -2.236
69 HA LEU 10 HA LEU 10 3.698 5.029 -4.331
70 HB2 LEU 10 2HB LEU 10 3.050 4.627 -1.717
71 HB3 LEU 10 1HB LEU 10 3.807 6.206 -1.633
72 HG LEU 10 HG LEU 10 1.792 5.872 -3.767
73 HD11 LEU 10 1HD1 LEU 10 0.846 6.215 -0.942
74 HD12 LEU 10 2HD1 LEU 10 0.902 4.635 -1.722
75 HD13 LEU 10 3HD1 LEU 10 -0.104 5.917 -2.396
76 HD21 LEU 10 3HD2 LEU 10 1.677 8.054 -1.791
77 HD22 LEU 10 1HD2 LEU 10 1.588 8.106 -3.552
78 HD23 LEU 10 2HD2 LEU 10 3.152 7.961 -2.753
79 H GLY 11 H GLY 11 6.370 4.968 -4.797
80 HA2 GLY 11 2HA GLY 11 7.778 7.172 -3.657
81 HA3 GLY 11 1HA GLY 11 8.255 6.261 -5.081
Start of MODEL 3
1 H1 GLU 1 1HT GLU 1 -8.115 6.420 -1.438
2 H2 GLU 1 2HT GLU 1 -6.640 6.435 -0.560
3 H3 GLU 1 3HT GLU 1 -7.405 7.912 -0.982
4 HA GLU 1 HA GLU 1 -7.907 7.645 1.213
5 HB2 GLU 1 2HB GLU 1 -10.117 6.563 -0.538
6 HB3 GLU 1 1HB GLU 1 -10.361 7.014 1.144
7 HG2 GLU 1 2HG GLU 1 -9.285 9.278 0.334
8 HG3 GLU 1 1HG GLU 1 -9.876 8.725 -1.232
9 H GLU 2 H GLU 2 -8.017 4.623 -0.537
10 HA GLU 2 HA GLU 2 -7.463 3.187 1.930
11 HB2 GLU 2 2HB GLU 2 -10.023 3.253 1.334
12 HB3 GLU 2 1HB GLU 2 -9.574 2.026 0.157
13 HG2 GLU 2 2HG GLU 2 -9.461 0.449 1.710
14 HG3 GLU 2 1HG GLU 2 -8.458 1.453 2.758
15 H LEU 3 H LEU 3 -5.530 2.396 1.352
16 HA LEU 3 HA LEU 3 -5.390 0.846 -1.150
17 HB2 LEU 3 2HB LEU 3 -4.090 3.004 -1.158
18 HB3 LEU 3 1HB LEU 3 -3.093 2.330 0.118
19 HG LEU 3 HG LEU 3 -2.604 0.412 -1.516
20 HD11 LEU 3 1HD1 LEU 3 -3.109 2.294 -3.728
21 HD12 LEU 3 2HD1 LEU 3 -4.530 1.516 -3.030
22 HD13 LEU 3 3HD1 LEU 3 -3.218 0.533 -3.681
23 HD21 LEU 3 3HD2 LEU 3 -1.310 2.742 -0.953
24 HD22 LEU 3 1HD2 LEU 3 -1.429 2.815 -2.711
25 HD23 LEU 3 2HD2 LEU 3 -0.654 1.434 -1.935
26 HA PRO 4 HA PRO 4 -4.524 -2.720 1.325
27 HB2 PRO 4 2HB PRO 4 -2.670 -3.858 -0.454
28 HB3 PRO 4 1HB PRO 4 -4.410 -4.146 -0.428
29 HG2 PRO 4 2HG PRO 4 -2.818 -2.311 -2.147
30 HG3 PRO 4 1HG PRO 4 -4.278 -3.237 -2.537
31 HD2 PRO 4 2HD PRO 4 -4.376 -0.597 -2.105
32 HD3 PRO 4 1HD PRO 4 -5.682 -1.670 -1.555
33 H TRP 5 H TRP 5 -1.962 -0.709 0.026
34 HA TRP 5 HA TRP 5 -0.357 -1.330 2.403
35 HB2 TRP 5 2HB TRP 5 1.703 -1.292 1.036
36 HB3 TRP 5 1HB TRP 5 0.628 -2.612 0.584
37 HD1 TRP 5 HD TRP 5 1.823 0.808 -0.692
38 HE1 TRP 5 1HE TRP 5 1.467 0.901 -3.238
39 HE3 TRP 5 3HE TRP 5 -0.650 -3.586 -1.290
40 HZ2 TRP 5 2HZ TRP 5 0.282 -0.706 -5.244
41 HZ3 TRP 5 3HZ TRP 5 -1.371 -4.257 -3.549
42 HH2 TRP 5 HH TRP 5 -0.911 -2.841 -5.486
43 H ASP 6 H ASP 6 0.987 0.353 3.137
44 HA ASP 6 HA ASP 6 0.006 2.987 2.450
45 HB2 ASP 6 2HB ASP 6 1.457 3.729 4.343
46 HB3 ASP 6 1HB ASP 6 0.284 2.496 4.794
47 H GLU 7 H GLU 7 1.072 2.416 0.212
48 HA GLU 7 HA GLU 7 2.654 2.887 -1.355
49 HB2 GLU 7 2HB GLU 7 2.950 5.060 0.670
50 HB3 GLU 7 1HB GLU 7 4.139 4.953 -0.621
51 HG2 GLU 7 2HG GLU 7 1.165 5.139 -1.046
52 HG3 GLU 7 1HG GLU 7 2.279 6.505 -1.104
53 H LEU 8 H LEU 8 3.777 0.909 -1.110
54 HA LEU 8 HA LEU 8 5.975 0.691 0.729
55 HB2 LEU 8 2HB LEU 8 6.397 -1.460 -0.357
56 HB3 LEU 8 1HB LEU 8 4.716 -1.287 0.111
57 HG LEU 8 HG LEU 8 4.425 -0.485 -2.381
58 HD11 LEU 8 1HD1 LEU 8 6.411 -0.495 -3.435
59 HD12 LEU 8 2HD1 LEU 8 6.083 -2.219 -3.611
60 HD13 LEU 8 3HD1 LEU 8 7.126 -1.647 -2.308
61 HD21 LEU 8 3HD2 LEU 8 3.174 -2.318 -1.877
62 HD22 LEU 8 1HD2 LEU 8 4.538 -3.201 -1.192
63 HD23 LEU 8 2HD2 LEU 8 4.359 -3.074 -2.942
64 H ASP 9 H ASP 9 5.539 1.619 -2.602
65 HA ASP 9 HA ASP 9 8.357 1.492 -3.226
66 HB2 ASP 9 2HB ASP 9 6.546 1.090 -4.920
67 HB3 ASP 9 1HB ASP 9 6.145 2.801 -4.818
68 H LEU 10 H LEU 10 6.017 3.904 -2.246
69 HA LEU 10 HA LEU 10 7.811 6.117 -2.712
70 HB2 LEU 10 2HB LEU 10 5.119 5.935 -2.596
71 HB3 LEU 10 1HB LEU 10 5.456 6.479 -0.964
72 HG LEU 10 HG LEU 10 6.609 7.936 -3.318
73 HD11 LEU 10 1HD1 LEU 10 3.796 7.895 -2.390
74 HD12 LEU 10 2HD1 LEU 10 4.460 8.202 -3.995
75 HD13 LEU 10 3HD1 LEU 10 4.504 9.465 -2.765
76 HD21 LEU 10 3HD2 LEU 10 6.687 9.784 -1.794
77 HD22 LEU 10 1HD2 LEU 10 7.412 8.383 -1.006
78 HD23 LEU 10 2HD2 LEU 10 5.774 8.885 -0.581
79 H GLY 11 H GLY 11 6.771 4.141 -0.004
80 HA2 GLY 11 2HA GLY 11 9.006 5.164 1.561
81 HA3 GLY 11 1HA GLY 11 7.407 5.423 2.239
Start of MODEL 4
1 H1 GLU 1 1HT GLU 1 -3.557 6.789 2.618
2 H2 GLU 1 2HT GLU 1 -4.087 6.752 0.987
3 H3 GLU 1 3HT GLU 1 -3.141 5.463 1.616
4 HA GLU 1 HA GLU 1 -4.837 4.719 2.969
5 HB2 GLU 1 2HB GLU 1 -5.874 7.461 2.453
6 HB3 GLU 1 1HB GLU 1 -7.060 6.192 2.719
7 HG2 GLU 1 2HG GLU 1 -4.787 6.713 4.610
8 HG3 GLU 1 1HG GLU 1 -6.352 7.513 4.744
9 H GLU 2 H GLU 2 -7.071 3.889 2.276
10 HA GLU 2 HA GLU 2 -8.302 2.710 0.772
11 HB2 GLU 2 2HB GLU 2 -8.433 5.239 -0.065
12 HB3 GLU 2 1HB GLU 2 -7.595 4.558 -1.452
13 HG2 GLU 2 2HG GLU 2 -9.532 2.761 -1.264
14 HG3 GLU 2 1HG GLU 2 -10.362 4.113 -0.495
15 H LEU 3 H LEU 3 -5.390 2.213 1.020
16 HA LEU 3 HA LEU 3 -5.084 0.688 -1.463
17 HB2 LEU 3 2HB LEU 3 -3.712 2.847 -1.420
18 HB3 LEU 3 1HB LEU 3 -2.758 2.082 -0.164
19 HG LEU 3 HG LEU 3 -2.352 0.189 -1.824
20 HD11 LEU 3 1HD1 LEU 3 -4.244 0.990 -3.323
21 HD12 LEU 3 2HD1 LEU 3 -2.729 0.550 -4.114
22 HD13 LEU 3 3HD1 LEU 3 -3.133 2.249 -3.865
23 HD21 LEU 3 3HD2 LEU 3 -0.603 1.727 -1.261
24 HD22 LEU 3 1HD2 LEU 3 -1.278 2.959 -2.327
25 HD23 LEU 3 2HD2 LEU 3 -0.589 1.487 -3.008
26 HA PRO 4 HA PRO 4 -4.433 -2.808 1.164
27 HB2 PRO 4 2HB PRO 4 -2.345 -3.924 -0.379
28 HB3 PRO 4 1HB PRO 4 -4.066 -4.297 -0.499
29 HG2 PRO 4 2HG PRO 4 -2.406 -2.460 -2.144
30 HG3 PRO 4 1HG PRO 4 -3.806 -3.438 -2.615
31 HD2 PRO 4 2HD PRO 4 -4.009 -0.791 -2.291
32 HD3 PRO 4 1HD PRO 4 -5.325 -1.881 -1.799
33 H TRP 5 H TRP 5 -1.795 -0.752 0.132
34 HA TRP 5 HA TRP 5 -0.425 -1.327 2.668
35 HB2 TRP 5 2HB TRP 5 1.756 -1.117 1.489
36 HB3 TRP 5 1HB TRP 5 0.819 -2.511 0.958
37 HD1 TRP 5 HD TRP 5 1.857 0.990 -0.235
38 HE1 TRP 5 1HE TRP 5 1.699 1.057 -2.802
39 HE3 TRP 5 3HE TRP 5 -0.225 -3.577 -1.007
40 HZ2 TRP 5 2HZ TRP 5 0.800 -0.629 -4.887
41 HZ3 TRP 5 3HZ TRP 5 -0.713 -4.295 -3.313
42 HH2 TRP 5 HH TRP 5 -0.208 -2.846 -5.213
43 H ASP 6 H ASP 6 1.013 0.411 3.381
44 HA ASP 6 HA ASP 6 -0.217 2.968 3.038
45 HB2 ASP 6 2HB ASP 6 1.230 1.821 5.042
46 HB3 ASP 6 1HB ASP 6 2.437 2.885 4.325
47 H GLU 7 H GLU 7 3.196 2.023 2.601
48 HA GLU 7 HA GLU 7 3.450 4.127 0.574
49 HB2 GLU 7 2HB GLU 7 5.867 3.893 0.887
50 HB3 GLU 7 1HB GLU 7 5.059 4.196 2.420
51 HG2 GLU 7 2HG GLU 7 6.267 2.488 3.178
52 HG3 GLU 7 1HG GLU 7 5.097 1.471 2.338
53 H LEU 8 H LEU 8 3.916 3.692 -1.521
54 HA LEU 8 HA LEU 8 3.730 0.922 -2.366
55 HB2 LEU 8 2HB LEU 8 2.580 3.019 -3.420
56 HB3 LEU 8 1HB LEU 8 4.117 3.225 -4.239
57 HG LEU 8 HG LEU 8 2.987 0.514 -4.434
58 HD11 LEU 8 1HD1 LEU 8 1.240 1.017 -5.947
59 HD12 LEU 8 2HD1 LEU 8 1.661 2.730 -5.976
60 HD13 LEU 8 3HD1 LEU 8 0.968 2.016 -4.519
61 HD21 LEU 8 3HD2 LEU 8 4.534 0.546 -6.028
62 HD22 LEU 8 1HD2 LEU 8 4.725 2.293 -5.888
63 HD23 LEU 8 2HD2 LEU 8 3.487 1.624 -6.949
64 H ASP 9 H ASP 9 6.012 1.069 -1.038
65 HA ASP 9 HA ASP 9 8.259 0.730 -1.131
66 HB2 ASP 9 2HB ASP 9 7.543 -1.045 -2.689
67 HB3 ASP 9 1HB ASP 9 7.670 0.090 -4.029
68 H LEU 10 H LEU 10 7.764 3.332 -1.129
69 HA LEU 10 HA LEU 10 8.659 5.371 -1.593
70 HB2 LEU 10 2HB LEU 10 10.757 3.773 -1.534
71 HB3 LEU 10 1HB LEU 10 10.807 4.127 -3.250
72 HG LEU 10 HG LEU 10 10.624 6.635 -2.302
73 HD11 LEU 10 1HD1 LEU 10 11.471 6.976 -0.232
74 HD12 LEU 10 2HD1 LEU 10 12.504 5.548 -0.298
75 HD13 LEU 10 3HD1 LEU 10 10.783 5.376 0.045
76 HD21 LEU 10 3HD2 LEU 10 13.287 6.373 -2.226
77 HD22 LEU 10 1HD2 LEU 10 12.362 6.374 -3.730
78 HD23 LEU 10 2HD2 LEU 10 12.869 4.847 -3.007
79 H GLY 11 H GLY 11 6.609 4.523 -3.254
80 HA2 GLY 11 2HA GLY 11 7.001 6.249 -5.502
81 HA3 GLY 11 1HA GLY 11 6.980 4.560 -5.980
Start of MODEL 5
1 H1 GLU 1 1HT GLU 1 -9.388 6.936 -0.450
2 H2 GLU 1 2HT GLU 1 -10.136 5.467 -0.926
3 H3 GLU 1 3HT GLU 1 -10.025 6.774 -2.034
4 HA GLU 1 HA GLU 1 -8.393 5.350 -2.701
5 HB2 GLU 1 2HB GLU 1 -7.789 7.799 -2.191
6 HB3 GLU 1 1HB GLU 1 -6.930 7.167 -0.793
7 HG2 GLU 1 2HG GLU 1 -5.340 6.098 -2.085
8 HG3 GLU 1 1HG GLU 1 -6.375 6.068 -3.512
9 H GLU 2 H GLU 2 -9.234 3.471 -1.271
10 HA GLU 2 HA GLU 2 -7.525 2.855 0.992
11 HB2 GLU 2 2HB GLU 2 -10.046 1.823 -0.120
12 HB3 GLU 2 1HB GLU 2 -8.992 0.589 0.554
13 HG2 GLU 2 2HG GLU 2 -9.295 2.951 2.248
14 HG3 GLU 2 1HG GLU 2 -10.795 2.069 1.959
15 H LEU 3 H LEU 3 -5.510 2.268 0.457
16 HA LEU 3 HA LEU 3 -5.166 0.294 -1.701
17 HB2 LEU 3 2HB LEU 3 -4.050 2.559 -1.915
18 HB3 LEU 3 1HB LEU 3 -3.036 2.094 -0.562
19 HG LEU 3 HG LEU 3 -2.393 0.051 -1.997
20 HD11 LEU 3 1HD1 LEU 3 -2.979 1.741 -4.356
21 HD12 LEU 3 2HD1 LEU 3 -4.324 0.844 -3.649
22 HD13 LEU 3 3HD1 LEU 3 -2.887 -0.014 -4.209
23 HD21 LEU 3 3HD2 LEU 3 -0.775 1.716 -1.528
24 HD22 LEU 3 1HD2 LEU 3 -1.546 2.871 -2.613
25 HD23 LEU 3 2HD2 LEU 3 -0.728 1.454 -3.270
26 HA PRO 4 HA PRO 4 -4.082 -2.868 1.193
27 HB2 PRO 4 2HB PRO 4 -1.938 -3.916 -0.302
28 HB3 PRO 4 1HB PRO 4 -3.621 -4.441 -0.366
29 HG2 PRO 4 2HG PRO 4 -2.144 -2.588 -2.169
30 HG3 PRO 4 1HG PRO 4 -3.436 -3.740 -2.551
31 HD2 PRO 4 2HD PRO 4 -3.915 -1.113 -2.431
32 HD3 PRO 4 1HD PRO 4 -5.107 -2.289 -1.837
33 H TRP 5 H TRP 5 -1.702 -0.648 -0.093
34 HA TRP 5 HA TRP 5 -0.220 -0.865 2.433
35 HB2 TRP 5 2HB TRP 5 1.901 -0.526 1.161
36 HB3 TRP 5 1HB TRP 5 1.114 -2.065 0.822
37 HD1 TRP 5 HD TRP 5 1.713 1.375 -0.786
38 HE1 TRP 5 1HE TRP 5 1.497 1.129 -3.338
39 HE3 TRP 5 3HE TRP 5 0.162 -3.459 -0.975
40 HZ2 TRP 5 2HZ TRP 5 0.759 -0.877 -5.192
41 HZ3 TRP 5 3HZ TRP 5 -0.284 -4.487 -3.168
42 HH2 TRP 5 HH TRP 5 0.008 -3.217 -5.235
43 H ASP 6 H ASP 6 1.243 1.058 2.767
44 HA ASP 6 HA ASP 6 -0.105 3.485 1.780
45 HB2 ASP 6 2HB ASP 6 0.051 2.711 4.359
46 HB3 ASP 6 1HB ASP 6 1.542 3.641 4.240
47 H GLU 7 H GLU 7 3.011 2.030 2.570
48 HA GLU 7 HA GLU 7 4.288 3.946 0.757
49 HB2 GLU 7 2HB GLU 7 6.195 4.187 2.309
50 HB3 GLU 7 1HB GLU 7 4.700 4.821 2.982
51 HG2 GLU 7 2HG GLU 7 4.472 3.019 4.463
52 HG3 GLU 7 1HG GLU 7 5.660 2.048 3.594
53 H LEU 8 H LEU 8 3.683 1.570 -0.188
54 HA LEU 8 HA LEU 8 5.875 -0.290 0.260
55 HB2 LEU 8 2HB LEU 8 3.443 -0.978 -0.016
56 HB3 LEU 8 1HB LEU 8 3.620 -0.579 -1.713
57 HG LEU 8 HG LEU 8 5.686 -2.401 -0.701
58 HD11 LEU 8 1HD1 LEU 8 3.445 -2.987 0.497
59 HD12 LEU 8 2HD1 LEU 8 4.409 -4.260 -0.251
60 HD13 LEU 8 3HD1 LEU 8 2.991 -3.622 -1.084
61 HD21 LEU 8 3HD2 LEU 8 5.662 -3.147 -2.828
62 HD22 LEU 8 1HD2 LEU 8 4.815 -1.631 -3.131
63 HD23 LEU 8 2HD2 LEU 8 3.903 -3.126 -2.930
64 H ASP 9 H ASP 9 4.758 2.006 -2.120
65 HA ASP 9 HA ASP 9 7.306 1.865 -3.476
66 HB2 ASP 9 2HB ASP 9 5.325 0.250 -4.476
67 HB3 ASP 9 1HB ASP 9 5.117 1.714 -5.431
68 H LEU 10 H LEU 10 7.472 4.007 -2.708
69 HA LEU 10 HA LEU 10 5.578 5.949 -3.818
70 HB2 LEU 10 2HB LEU 10 7.822 6.625 -1.947
71 HB3 LEU 10 1HB LEU 10 6.310 7.474 -2.200
72 HG LEU 10 HG LEU 10 5.453 5.040 -1.257
73 HD11 LEU 10 1HD1 LEU 10 6.857 4.125 0.245
74 HD12 LEU 10 2HD1 LEU 10 7.529 5.683 0.727
75 HD13 LEU 10 3HD1 LEU 10 8.096 4.895 -0.745
76 HD21 LEU 10 3HD2 LEU 10 5.824 7.757 -0.156
77 HD22 LEU 10 1HD2 LEU 10 5.497 6.469 1.004
78 HD23 LEU 10 2HD2 LEU 10 4.364 6.780 -0.310
79 H GLY 11 H GLY 11 7.358 4.680 -5.609
80 HA2 GLY 11 2HA GLY 11 8.483 6.970 -6.878
81 HA3 GLY 11 1HA GLY 11 9.737 5.968 -6.166
Start of MODEL 6
1 H1 GLU 1 1HT GLU 1 -7.972 7.442 -1.002
2 H2 GLU 1 2HT GLU 1 -9.109 6.249 -0.521
3 H3 GLU 1 3HT GLU 1 -7.586 5.780 -1.160
4 HA GLU 1 HA GLU 1 -6.457 6.632 0.693
5 HB2 GLU 1 2HB GLU 1 -8.537 8.376 0.845
6 HB3 GLU 1 1HB GLU 1 -8.929 7.292 2.173
7 HG2 GLU 1 2HG GLU 1 -6.396 8.872 1.807
8 HG3 GLU 1 1HG GLU 1 -7.653 9.132 3.015
9 H GLU 2 H GLU 2 -7.174 4.141 -0.100
10 HA GLU 2 HA GLU 2 -7.404 2.763 2.400
11 HB2 GLU 2 2HB GLU 2 -9.801 3.274 1.744
12 HB3 GLU 2 1HB GLU 2 -9.564 2.203 0.369
13 HG2 GLU 2 2HG GLU 2 -8.817 0.494 2.186
14 HG3 GLU 2 1HG GLU 2 -9.712 1.554 3.274
15 H LEU 3 H LEU 3 -5.374 2.856 0.537
16 HA LEU 3 HA LEU 3 -5.496 0.606 -1.237
17 HB2 LEU 3 2HB LEU 3 -4.099 2.712 -1.535
18 HB3 LEU 3 1HB LEU 3 -3.013 2.046 -0.329
19 HG LEU 3 HG LEU 3 -2.827 0.004 -1.863
20 HD11 LEU 3 1HD1 LEU 3 -3.669 0.021 -3.958
21 HD12 LEU 3 2HD1 LEU 3 -3.489 1.766 -4.136
22 HD13 LEU 3 3HD1 LEU 3 -4.852 1.108 -3.230
23 HD21 LEU 3 3HD2 LEU 3 -1.187 1.198 -3.344
24 HD22 LEU 3 1HD2 LEU 3 -0.974 1.468 -1.616
25 HD23 LEU 3 2HD2 LEU 3 -1.736 2.707 -2.614
26 HA PRO 4 HA PRO 4 -4.580 -2.732 1.513
27 HB2 PRO 4 2HB PRO 4 -2.764 -4.031 -0.211
28 HB3 PRO 4 1HB PRO 4 -4.498 -4.332 -0.082
29 HG2 PRO 4 2HG PRO 4 -3.005 -2.675 -2.047
30 HG3 PRO 4 1HG PRO 4 -4.485 -3.625 -2.267
31 HD2 PRO 4 2HD PRO 4 -4.553 -0.953 -2.098
32 HD3 PRO 4 1HD PRO 4 -5.832 -1.955 -1.378
33 H TRP 5 H TRP 5 -2.051 -0.847 -0.004
34 HA TRP 5 HA TRP 5 -0.356 -1.343 2.347
35 HB2 TRP 5 2HB TRP 5 1.641 -1.208 0.847
36 HB3 TRP 5 1HB TRP 5 0.638 -2.627 0.568
37 HD1 TRP 5 HD TRP 5 1.493 0.760 -1.028
38 HE1 TRP 5 1HE TRP 5 0.955 0.638 -3.542
39 HE3 TRP 5 3HE TRP 5 -0.707 -3.816 -1.129
40 HZ2 TRP 5 2HZ TRP 5 -0.256 -1.185 -5.334
41 HZ3 TRP 5 3HZ TRP 5 -1.537 -4.698 -3.275
42 HH2 TRP 5 HH TRP 5 -1.315 -3.403 -5.335
43 H ASP 6 H ASP 6 0.957 0.392 3.005
44 HA ASP 6 HA ASP 6 0.081 2.994 1.952
45 HB2 ASP 6 2HB ASP 6 -0.045 2.107 4.514
46 HB3 ASP 6 1HB ASP 6 1.523 2.908 4.529
47 H GLU 7 H GLU 7 1.537 3.378 0.334
48 HA GLU 7 HA GLU 7 3.486 4.008 -0.653
49 HB2 GLU 7 2HB GLU 7 4.033 4.638 2.229
50 HB3 GLU 7 1HB GLU 7 5.295 4.846 1.022
51 HG2 GLU 7 2HG GLU 7 4.078 6.495 -0.122
52 HG3 GLU 7 1HG GLU 7 2.586 6.099 0.729
53 H LEU 8 H LEU 8 3.658 1.705 -1.229
54 HA LEU 8 HA LEU 8 5.501 0.076 0.288
55 HB2 LEU 8 2HB LEU 8 3.425 -0.598 -1.224
56 HB3 LEU 8 1HB LEU 8 4.656 -0.652 -2.471
57 HG LEU 8 HG LEU 8 5.889 -2.137 -0.611
58 HD11 LEU 8 1HD1 LEU 8 4.082 -1.934 1.012
59 HD12 LEU 8 2HD1 LEU 8 4.271 -3.605 0.479
60 HD13 LEU 8 3HD1 LEU 8 2.949 -2.622 -0.151
61 HD21 LEU 8 3HD2 LEU 8 5.150 -2.630 -3.030
62 HD22 LEU 8 1HD2 LEU 8 3.757 -3.411 -2.284
63 HD23 LEU 8 2HD2 LEU 8 5.385 -3.986 -1.927
64 H ASP 9 H ASP 9 5.553 2.082 -2.571
65 HA ASP 9 HA ASP 9 8.451 1.621 -2.771
66 HB2 ASP 9 2HB ASP 9 6.797 0.642 -4.637
67 HB3 ASP 9 1HB ASP 9 6.968 2.278 -5.263
68 H LEU 10 H LEU 10 6.953 3.697 -1.397
69 HA LEU 10 HA LEU 10 7.025 5.946 -1.071
70 HB2 LEU 10 2HB LEU 10 9.493 5.245 -2.096
71 HB3 LEU 10 1HB LEU 10 8.996 6.569 -3.134
72 HG LEU 10 HG LEU 10 9.230 6.665 -0.125
73 HD11 LEU 10 1HD1 LEU 10 10.818 8.369 -1.967
74 HD12 LEU 10 2HD1 LEU 10 11.294 6.682 -1.772
75 HD13 LEU 10 3HD1 LEU 10 11.222 7.746 -0.368
76 HD21 LEU 10 3HD2 LEU 10 8.784 9.048 -1.866
77 HD22 LEU 10 1HD2 LEU 10 8.441 8.829 -0.151
78 HD23 LEU 10 2HD2 LEU 10 7.410 8.066 -1.361
79 H GLY 11 H GLY 11 5.239 4.831 -3.070
80 HA2 GLY 11 2HA GLY 11 3.551 6.152 -4.161
81 HA3 GLY 11 1HA GLY 11 4.804 7.290 -4.628
Start of MODEL 7
1 H1 GLU 1 1HT GLU 1 -12.047 6.479 -0.842
2 H2 GLU 1 2HT GLU 1 -10.874 7.137 0.224
3 H3 GLU 1 3HT GLU 1 -11.637 5.646 0.599
4 HA GLU 1 HA GLU 1 -10.681 4.801 -1.532
5 HB2 GLU 1 2HB GLU 1 -9.550 7.521 -1.312
6 HB3 GLU 1 1HB GLU 1 -8.397 6.264 -1.739
7 HG2 GLU 1 2HG GLU 1 -10.986 6.711 -3.200
8 HG3 GLU 1 1HG GLU 1 -9.455 7.450 -3.667
9 H GLU 2 H GLU 2 -9.096 3.284 -1.176
10 HA GLU 2 HA GLU 2 -7.315 3.555 1.104
11 HB2 GLU 2 2HB GLU 2 -8.039 1.236 1.910
12 HB3 GLU 2 1HB GLU 2 -9.102 2.587 2.283
13 HG2 GLU 2 2HG GLU 2 -9.823 1.426 -0.240
14 HG3 GLU 2 1HG GLU 2 -9.760 0.187 1.011
15 H LEU 3 H LEU 3 -5.528 2.169 1.033
16 HA LEU 3 HA LEU 3 -5.290 0.519 -1.393
17 HB2 LEU 3 2HB LEU 3 -4.100 2.767 -1.496
18 HB3 LEU 3 1HB LEU 3 -3.033 2.151 -0.249
19 HG LEU 3 HG LEU 3 -2.543 0.218 -1.861
20 HD11 LEU 3 1HD1 LEU 3 -2.950 0.559 -4.176
21 HD12 LEU 3 2HD1 LEU 3 -3.581 2.181 -3.891
22 HD13 LEU 3 3HD1 LEU 3 -4.491 0.771 -3.343
23 HD21 LEU 3 3HD2 LEU 3 -1.584 2.990 -1.884
24 HD22 LEU 3 1HD2 LEU 3 -1.186 2.058 -3.327
25 HD23 LEU 3 2HD2 LEU 3 -0.690 1.477 -1.737
26 HA PRO 4 HA PRO 4 -4.199 -2.845 1.260
27 HB2 PRO 4 2HB PRO 4 -2.172 -3.884 -0.396
28 HB3 PRO 4 1HB PRO 4 -3.878 -4.339 -0.409
29 HG2 PRO 4 2HG PRO 4 -2.407 -2.439 -2.168
30 HG3 PRO 4 1HG PRO 4 -3.760 -3.517 -2.557
31 HD2 PRO 4 2HD PRO 4 -4.126 -0.885 -2.262
32 HD3 PRO 4 1HD PRO 4 -5.338 -2.050 -1.683
33 H TRP 5 H TRP 5 -1.797 -0.643 -0.010
34 HA TRP 5 HA TRP 5 -0.237 -1.012 2.446
35 HB2 TRP 5 2HB TRP 5 1.868 -0.870 1.167
36 HB3 TRP 5 1HB TRP 5 0.927 -2.290 0.725
37 HD1 TRP 5 HD TRP 5 1.893 1.168 -0.643
38 HE1 TRP 5 1HE TRP 5 1.660 1.126 -3.206
39 HE3 TRP 5 3HE TRP 5 -0.166 -3.446 -1.160
40 HZ2 TRP 5 2HZ TRP 5 0.716 -0.655 -5.191
41 HZ3 TRP 5 3HZ TRP 5 -0.714 -4.265 -3.419
42 HH2 TRP 5 HH TRP 5 -0.280 -2.894 -5.393
43 H ASP 6 H ASP 6 0.582 0.834 3.313
44 HA ASP 6 HA ASP 6 -0.515 3.309 2.472
45 HB2 ASP 6 2HB ASP 6 1.567 2.584 4.529
46 HB3 ASP 6 1HB ASP 6 1.066 4.248 4.242
47 H GLU 7 H GLU 7 2.840 2.106 2.518
48 HA GLU 7 HA GLU 7 3.417 3.659 0.131
49 HB2 GLU 7 2HB GLU 7 4.521 4.267 2.824
50 HB3 GLU 7 1HB GLU 7 5.629 4.355 1.461
51 HG2 GLU 7 2HG GLU 7 4.491 6.108 0.478
52 HG3 GLU 7 1HG GLU 7 2.995 5.756 1.343
53 H LEU 8 H LEU 8 3.784 1.741 -0.950
54 HA LEU 8 HA LEU 8 5.929 0.015 0.070
55 HB2 LEU 8 2HB LEU 8 3.604 -0.869 -0.614
56 HB3 LEU 8 1HB LEU 8 4.150 -0.624 -2.262
57 HG LEU 8 HG LEU 8 6.220 -2.070 -1.314
58 HD11 LEU 8 1HD1 LEU 8 3.807 -3.149 0.132
59 HD12 LEU 8 2HD1 LEU 8 5.140 -2.288 0.902
60 HD13 LEU 8 3HD1 LEU 8 5.431 -3.838 0.112
61 HD21 LEU 8 3HD2 LEU 8 3.613 -2.977 -2.506
62 HD22 LEU 8 1HD2 LEU 8 4.979 -4.066 -2.269
63 HD23 LEU 8 2HD2 LEU 8 5.143 -2.664 -3.325
64 H ASP 9 H ASP 9 4.962 2.003 -2.649
65 HA ASP 9 HA ASP 9 7.067 1.247 -4.394
66 HB2 ASP 9 2HB ASP 9 6.471 3.312 -5.636
67 HB3 ASP 9 1HB ASP 9 5.068 2.315 -5.266
68 H LEU 10 H LEU 10 6.768 3.611 -1.834
69 HA LEU 10 HA LEU 10 9.538 4.474 -2.347
70 HB2 LEU 10 2HB LEU 10 7.669 6.198 -2.434
71 HB3 LEU 10 1HB LEU 10 7.500 5.962 -0.704
72 HG LEU 10 HG LEU 10 9.786 6.737 -0.346
73 HD11 LEU 10 1HD1 LEU 10 10.717 7.914 -2.557
74 HD12 LEU 10 2HD1 LEU 10 9.877 6.550 -3.292
75 HD13 LEU 10 3HD1 LEU 10 11.140 6.266 -2.094
76 HD21 LEU 10 3HD2 LEU 10 7.862 8.336 -0.469
77 HD22 LEU 10 1HD2 LEU 10 8.332 8.674 -2.135
78 HD23 LEU 10 2HD2 LEU 10 9.439 9.047 -0.814
79 H GLY 11 H GLY 11 9.941 2.333 -1.194
80 HA2 GLY 11 2HA GLY 11 10.236 2.917 1.674
81 HA3 GLY 11 1HA GLY 11 9.546 1.381 1.171
Start of MODEL 8
1 H1 GLU 1 1HT GLU 1 -12.102 2.903 -3.425
2 H2 GLU 1 2HT GLU 1 -11.233 1.645 -2.646
3 H3 GLU 1 3HT GLU 1 -10.420 3.072 -3.145
4 HA GLU 1 HA GLU 1 -11.984 4.288 -1.635
5 HB2 GLU 1 2HB GLU 1 -13.339 2.058 -1.485
6 HB3 GLU 1 1HB GLU 1 -12.160 1.630 -0.253
7 HG2 GLU 1 2HG GLU 1 -12.896 4.117 0.552
8 HG3 GLU 1 1HG GLU 1 -14.396 3.516 -0.154
9 H GLU 2 H GLU 2 -9.880 1.483 -1.032
10 HA GLU 2 HA GLU 2 -8.060 3.262 0.431
11 HB2 GLU 2 2HB GLU 2 -9.653 1.416 1.712
12 HB3 GLU 2 1HB GLU 2 -8.148 0.534 1.495
13 HG2 GLU 2 2HG GLU 2 -7.245 2.930 2.405
14 HG3 GLU 2 1HG GLU 2 -8.783 2.782 3.254
15 H LEU 3 H LEU 3 -5.931 1.954 0.895
16 HA LEU 3 HA LEU 3 -5.233 0.500 -1.572
17 HB2 LEU 3 2HB LEU 3 -4.276 2.822 -1.340
18 HB3 LEU 3 1HB LEU 3 -3.370 2.235 0.043
19 HG LEU 3 HG LEU 3 -2.495 0.439 -1.659
20 HD11 LEU 3 1HD1 LEU 3 -2.231 1.945 -3.871
21 HD12 LEU 3 2HD1 LEU 3 -3.850 2.426 -3.362
22 HD13 LEU 3 3HD1 LEU 3 -3.488 0.727 -3.662
23 HD21 LEU 3 3HD2 LEU 3 -0.833 2.358 -2.449
24 HD22 LEU 3 1HD2 LEU 3 -0.824 1.719 -0.805
25 HD23 LEU 3 2HD2 LEU 3 -1.653 3.236 -1.158
26 HA PRO 4 HA PRO 4 -4.199 -3.004 0.928
27 HB2 PRO 4 2HB PRO 4 -1.968 -3.792 -0.585
28 HB3 PRO 4 1HB PRO 4 -3.635 -4.323 -0.824
29 HG2 PRO 4 2HG PRO 4 -2.099 -2.202 -2.245
30 HG3 PRO 4 1HG PRO 4 -3.330 -3.314 -2.871
31 HD2 PRO 4 2HD PRO 4 -3.893 -0.741 -2.402
32 HD3 PRO 4 1HD PRO 4 -5.084 -2.016 -2.070
33 H TRP 5 H TRP 5 -1.869 -0.539 0.091
34 HA TRP 5 HA TRP 5 -0.521 -1.011 2.648
35 HB2 TRP 5 2HB TRP 5 1.686 -0.653 1.604
36 HB3 TRP 5 1HB TRP 5 0.888 -2.094 0.980
37 HD1 TRP 5 HD TRP 5 1.731 1.510 -0.064
38 HE1 TRP 5 1HE TRP 5 1.761 1.626 -2.635
39 HE3 TRP 5 3HE TRP 5 0.094 -3.191 -1.075
40 HZ2 TRP 5 2HZ TRP 5 1.163 -0.078 -4.813
41 HZ3 TRP 5 3HZ TRP 5 -0.157 -3.892 -3.423
42 HH2 TRP 5 HH TRP 5 0.367 -2.363 -5.255
43 H ASP 6 H ASP 6 1.270 0.918 2.773
44 HA ASP 6 HA ASP 6 -0.264 3.383 2.274
45 HB2 ASP 6 2HB ASP 6 1.530 2.574 4.552
46 HB3 ASP 6 1HB ASP 6 1.181 4.269 4.224
47 H GLU 7 H GLU 7 3.042 2.099 2.550
48 HA GLU 7 HA GLU 7 3.862 3.874 0.384
49 HB2 GLU 7 2HB GLU 7 5.866 4.612 1.616
50 HB3 GLU 7 1HB GLU 7 4.381 5.157 2.383
51 HG2 GLU 7 2HG GLU 7 4.796 2.826 3.687
52 HG3 GLU 7 1HG GLU 7 6.453 3.326 3.359
53 H LEU 8 H LEU 8 3.820 1.767 -0.682
54 HA LEU 8 HA LEU 8 6.040 -0.003 0.053
55 HB2 LEU 8 2HB LEU 8 3.546 -0.723 -0.454
56 HB3 LEU 8 1HB LEU 8 4.101 -0.661 -2.117
57 HG LEU 8 HG LEU 8 5.690 -2.225 -0.127
58 HD11 LEU 8 1HD1 LEU 8 3.515 -3.048 0.344
59 HD12 LEU 8 2HD1 LEU 8 4.282 -4.213 -0.736
60 HD13 LEU 8 3HD1 LEU 8 3.086 -3.081 -1.366
61 HD21 LEU 8 3HD2 LEU 8 5.098 -3.175 -2.858
62 HD22 LEU 8 1HD2 LEU 8 6.609 -3.193 -1.949
63 HD23 LEU 8 2HD2 LEU 8 6.069 -1.709 -2.733
64 H ASP 9 H ASP 9 4.852 2.086 -2.480
65 HA ASP 9 HA ASP 9 6.646 1.277 -4.513
66 HB2 ASP 9 2HB ASP 9 4.627 3.311 -4.145
67 HB3 ASP 9 1HB ASP 9 6.042 3.989 -4.941
68 H LEU 10 H LEU 10 7.108 3.081 -1.653
69 HA LEU 10 HA LEU 10 8.947 4.063 -0.744
70 HB2 LEU 10 2HB LEU 10 10.472 3.206 -3.198
71 HB3 LEU 10 1HB LEU 10 11.118 3.576 -1.611
72 HG LEU 10 HG LEU 10 9.180 1.398 -1.536
73 HD11 LEU 10 1HD1 LEU 10 10.654 -0.257 -2.609
74 HD12 LEU 10 2HD1 LEU 10 11.669 1.058 -3.200
75 HD13 LEU 10 3HD1 LEU 10 10.002 0.915 -3.754
76 HD21 LEU 10 3HD2 LEU 10 12.073 1.241 -0.796
77 HD22 LEU 10 1HD2 LEU 10 10.679 0.479 -0.032
78 HD23 LEU 10 2HD2 LEU 10 10.959 2.208 0.168
79 H GLY 11 H GLY 11 7.160 5.607 -2.255
80 HA2 GLY 11 2HA GLY 11 8.898 7.847 -2.889
81 HA3 GLY 11 1HA GLY 11 7.926 7.249 -4.225
Start of MODEL 9
1 H1 GLU 1 1HT GLU 1 -11.272 5.426 -1.561
2 H2 GLU 1 2HT GLU 1 -12.053 4.487 -0.357
3 H3 GLU 1 3HT GLU 1 -10.889 3.764 -1.390
4 HA GLU 1 HA GLU 1 -9.249 5.346 -0.478
5 HB2 GLU 1 2HB GLU 1 -11.653 6.288 0.753
6 HB3 GLU 1 1HB GLU 1 -10.559 5.748 2.019
7 HG2 GLU 1 2HG GLU 1 -10.123 8.036 1.694
8 HG3 GLU 1 1HG GLU 1 -8.787 7.170 0.938
9 H GLU 2 H GLU 2 -8.487 3.144 -0.591
10 HA GLU 2 HA GLU 2 -7.855 2.042 1.902
11 HB2 GLU 2 2HB GLU 2 -10.410 1.394 1.357
12 HB3 GLU 2 1HB GLU 2 -9.596 0.073 0.529
13 HG2 GLU 2 2HG GLU 2 -8.514 -0.608 2.557
14 HG3 GLU 2 1HG GLU 2 -9.137 0.802 3.411
15 H LEU 3 H LEU 3 -5.840 2.169 0.802
16 HA LEU 3 HA LEU 3 -5.434 0.338 -1.434
17 HB2 LEU 3 2HB LEU 3 -4.528 2.708 -1.401
18 HB3 LEU 3 1HB LEU 3 -3.400 2.167 -0.172
19 HG LEU 3 HG LEU 3 -2.665 0.397 -1.886
20 HD11 LEU 3 1HD1 LEU 3 -4.653 0.834 -3.367
21 HD12 LEU 3 2HD1 LEU 3 -3.086 0.820 -4.176
22 HD13 LEU 3 3HD1 LEU 3 -3.882 2.354 -3.819
23 HD21 LEU 3 3HD2 LEU 3 -1.940 3.046 -2.953
24 HD22 LEU 3 1HD2 LEU 3 -0.915 1.728 -2.385
25 HD23 LEU 3 2HD2 LEU 3 -1.680 2.811 -1.224
26 HA PRO 4 HA PRO 4 -3.922 -3.030 1.001
27 HB2 PRO 4 2HB PRO 4 -1.833 -3.747 -0.735
28 HB3 PRO 4 1HB PRO 4 -3.483 -4.374 -0.765
29 HG2 PRO 4 2HG PRO 4 -2.240 -2.228 -2.412
30 HG3 PRO 4 1HG PRO 4 -3.474 -3.418 -2.859
31 HD2 PRO 4 2HD PRO 4 -4.113 -0.860 -2.397
32 HD3 PRO 4 1HD PRO 4 -5.189 -2.181 -1.895
33 H TRP 5 H TRP 5 -1.830 -0.481 -0.151
34 HA TRP 5 HA TRP 5 -0.194 -0.790 2.257
35 HB2 TRP 5 2HB TRP 5 1.875 -0.430 0.984
36 HB3 TRP 5 1HB TRP 5 1.057 -1.900 0.466
37 HD1 TRP 5 HD TRP 5 1.694 1.703 -0.714
38 HE1 TRP 5 1HE TRP 5 1.465 1.773 -3.276
39 HE3 TRP 5 3HE TRP 5 0.093 -3.055 -1.481
40 HZ2 TRP 5 2HZ TRP 5 0.697 0.017 -5.356
41 HZ3 TRP 5 3HZ TRP 5 -0.374 -3.804 -3.782
42 HH2 TRP 5 HH TRP 5 -0.078 -2.294 -5.681
43 H ASP 6 H ASP 6 1.255 1.173 2.556
44 HA ASP 6 HA ASP 6 0.061 3.604 1.430
45 HB2 ASP 6 2HB ASP 6 0.078 4.654 3.681
46 HB3 ASP 6 1HB ASP 6 -1.045 3.303 3.563
47 H GLU 7 H GLU 7 2.716 1.952 1.430
48 HA GLU 7 HA GLU 7 4.448 4.046 0.862
49 HB2 GLU 7 2HB GLU 7 4.097 3.862 3.603
50 HB3 GLU 7 1HB GLU 7 5.591 2.979 3.329
51 HG2 GLU 7 2HG GLU 7 6.166 5.101 1.871
52 HG3 GLU 7 1HG GLU 7 4.985 5.856 2.940
53 H LEU 8 H LEU 8 3.779 1.534 -0.194
54 HA LEU 8 HA LEU 8 6.151 -0.123 0.255
55 HB2 LEU 8 2HB LEU 8 3.726 -1.013 0.217
56 HB3 LEU 8 1HB LEU 8 3.843 -0.842 -1.524
57 HG LEU 8 HG LEU 8 6.061 -2.328 -0.280
58 HD11 LEU 8 1HD1 LEU 8 4.338 -4.372 -0.430
59 HD12 LEU 8 2HD1 LEU 8 3.240 -3.106 0.122
60 HD13 LEU 8 3HD1 LEU 8 4.677 -3.502 1.066
61 HD21 LEU 8 3HD2 LEU 8 6.162 -2.451 -2.553
62 HD22 LEU 8 1HD2 LEU 8 4.410 -2.385 -2.747
63 HD23 LEU 8 2HD2 LEU 8 5.184 -3.884 -2.233
64 H ASP 9 H ASP 9 4.684 1.979 -2.077
65 HA ASP 9 HA ASP 9 6.549 1.132 -4.166
66 HB2 ASP 9 2HB ASP 9 4.004 2.667 -4.112
67 HB3 ASP 9 1HB ASP 9 5.168 3.086 -5.366
68 H LEU 10 H LEU 10 7.513 2.493 -1.790
69 HA LEU 10 HA LEU 10 8.424 5.038 -2.956
70 HB2 LEU 10 2HB LEU 10 7.165 5.109 -0.777
71 HB3 LEU 10 1HB LEU 10 8.502 4.238 -0.050
72 HG LEU 10 HG LEU 10 9.897 6.260 -1.066
73 HD11 LEU 10 1HD1 LEU 10 7.568 7.113 -1.949
74 HD12 LEU 10 2HD1 LEU 10 8.791 8.236 -1.355
75 HD13 LEU 10 3HD1 LEU 10 7.447 7.767 -0.314
76 HD21 LEU 10 3HD2 LEU 10 10.164 6.909 1.081
77 HD22 LEU 10 1HD2 LEU 10 9.228 5.450 1.406
78 HD23 LEU 10 2HD2 LEU 10 8.429 7.023 1.377
79 H GLY 11 H GLY 11 9.424 2.026 -1.474
80 HA2 GLY 11 2HA GLY 11 12.239 2.784 -1.588
81 HA3 GLY 11 1HA GLY 11 11.588 1.292 -0.926
Start of MODEL 10
1 H1 GLU 1 1HT GLU 1 -9.473 7.922 0.424
2 H2 GLU 1 2HT GLU 1 -8.104 7.430 1.334
3 H3 GLU 1 3HT GLU 1 -9.619 6.660 1.574
4 HA GLU 1 HA GLU 1 -9.513 5.993 -0.798
5 HB2 GLU 1 2HB GLU 1 -7.030 7.491 -0.456
6 HB3 GLU 1 1HB GLU 1 -6.761 5.892 -1.137
7 HG2 GLU 1 2HG GLU 1 -7.065 7.133 -3.030
8 HG3 GLU 1 1HG GLU 1 -8.706 6.558 -2.739
9 H GLU 2 H GLU 2 -8.833 3.830 -1.210
10 HA GLU 2 HA GLU 2 -7.802 2.451 1.183
11 HB2 GLU 2 2HB GLU 2 -10.229 2.047 0.524
12 HB3 GLU 2 1HB GLU 2 -9.605 1.222 -0.897
13 HG2 GLU 2 2HG GLU 2 -10.161 -0.373 0.825
14 HG3 GLU 2 1HG GLU 2 -8.420 -0.358 0.547
15 H LEU 3 H LEU 3 -5.790 1.775 0.873
16 HA LEU 3 HA LEU 3 -5.108 0.540 -1.705
17 HB2 LEU 3 2HB LEU 3 -4.187 2.875 -1.464
18 HB3 LEU 3 1HB LEU 3 -3.227 2.284 -0.121
19 HG LEU 3 HG LEU 3 -2.289 0.568 -1.801
20 HD11 LEU 3 1HD1 LEU 3 -4.173 1.489 -3.463
21 HD12 LEU 3 2HD1 LEU 3 -2.643 0.809 -4.021
22 HD13 LEU 3 3HD1 LEU 3 -2.844 2.558 -3.914
23 HD21 LEU 3 3HD2 LEU 3 -1.380 2.934 -0.894
24 HD22 LEU 3 1HD2 LEU 3 -1.396 3.252 -2.628
25 HD23 LEU 3 2HD2 LEU 3 -0.474 1.891 -1.990
26 HA PRO 4 HA PRO 4 -3.903 -2.991 0.674
27 HB2 PRO 4 2HB PRO 4 -1.693 -3.685 -0.914
28 HB3 PRO 4 1HB PRO 4 -3.352 -4.249 -1.128
29 HG2 PRO 4 2HG PRO 4 -1.900 -2.054 -2.523
30 HG3 PRO 4 1HG PRO 4 -3.116 -3.180 -3.153
31 HD2 PRO 4 2HD PRO 4 -3.733 -0.636 -2.604
32 HD3 PRO 4 1HD PRO 4 -4.883 -1.951 -2.282
33 H TRP 5 H TRP 5 -1.636 -0.463 -0.177
34 HA TRP 5 HA TRP 5 -0.219 -0.962 2.340
35 HB2 TRP 5 2HB TRP 5 1.951 -0.529 1.248
36 HB3 TRP 5 1HB TRP 5 1.168 -1.969 0.605
37 HD1 TRP 5 HD TRP 5 1.908 1.679 -0.360
38 HE1 TRP 5 1HE TRP 5 1.868 1.866 -2.926
39 HE3 TRP 5 3HE TRP 5 0.338 -3.023 -1.457
40 HZ2 TRP 5 2HZ TRP 5 1.241 0.211 -5.134
41 HZ3 TRP 5 3HZ TRP 5 0.034 -3.663 -3.814
42 HH2 TRP 5 HH TRP 5 0.478 -2.075 -5.617
43 H ASP 6 H ASP 6 1.546 1.007 2.441
44 HA ASP 6 HA ASP 6 0.009 3.468 1.925
45 HB2 ASP 6 2HB ASP 6 0.383 2.490 4.398
46 HB3 ASP 6 1HB ASP 6 1.878 3.408 4.233
47 H GLU 7 H GLU 7 3.272 2.230 2.640
48 HA GLU 7 HA GLU 7 4.330 4.170 0.700
49 HB2 GLU 7 2HB GLU 7 5.131 3.758 3.539
50 HB3 GLU 7 1HB GLU 7 6.403 4.090 2.372
51 HG2 GLU 7 2HG GLU 7 5.965 6.227 2.838
52 HG3 GLU 7 1HG GLU 7 4.608 6.013 1.733
53 H LEU 8 H LEU 8 3.697 1.334 0.449
54 HA LEU 8 HA LEU 8 6.146 -0.144 0.536
55 HB2 LEU 8 2HB LEU 8 3.786 -1.083 0.675
56 HB3 LEU 8 1HB LEU 8 3.687 -0.837 -1.059
57 HG LEU 8 HG LEU 8 5.986 -2.414 -0.013
58 HD11 LEU 8 1HD1 LEU 8 4.313 -4.423 -0.376
59 HD12 LEU 8 2HD1 LEU 8 3.132 -3.224 0.146
60 HD13 LEU 8 3HD1 LEU 8 4.488 -3.638 1.194
61 HD21 LEU 8 3HD2 LEU 8 4.366 -3.276 -2.318
62 HD22 LEU 8 1HD2 LEU 8 6.117 -3.176 -2.130
63 HD23 LEU 8 2HD2 LEU 8 5.185 -1.723 -2.494
64 H ASP 9 H ASP 9 4.443 1.744 -1.866
65 HA ASP 9 HA ASP 9 6.790 1.654 -3.578
66 HB2 ASP 9 2HB ASP 9 4.479 0.081 -4.137
67 HB3 ASP 9 1HB ASP 9 4.543 1.383 -5.322
68 H LEU 10 H LEU 10 5.483 3.658 -1.924
69 HA LEU 10 HA LEU 10 4.280 5.497 -3.836
70 HB2 LEU 10 2HB LEU 10 3.836 5.032 -1.168
71 HB3 LEU 10 1HB LEU 10 4.816 6.486 -1.127
72 HG LEU 10 HG LEU 10 2.465 7.067 -1.110
73 HD11 LEU 10 1HD1 LEU 10 3.918 7.695 -3.666
74 HD12 LEU 10 2HD1 LEU 10 3.820 8.669 -2.199
75 HD13 LEU 10 3HD1 LEU 10 2.392 8.455 -3.213
76 HD21 LEU 10 3HD2 LEU 10 0.894 6.349 -2.645
77 HD22 LEU 10 1HD2 LEU 10 1.879 4.905 -2.420
78 HD23 LEU 10 2HD2 LEU 10 2.112 5.916 -3.846
79 H GLY 11 H GLY 11 7.248 5.033 -2.044
80 HA2 GLY 11 2HA GLY 11 8.529 7.064 -3.692
81 HA3 GLY 11 1HA GLY 11 8.541 7.361 -1.960