Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11822 | 1s4h RC | 6107 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 1HT GLU 1 -7.887 8.312 -1.998
2 2H GLU 1 2HT GLU 1 -7.317 7.397 -0.662
3 3H GLU 1 3HT GLU 1 -8.811 6.996 -1.405
4 HA GLU 1 HA GLU 1 -7.531 6.609 -3.479
5 1HB GLU 1 2HB GLU 1 -5.278 6.655 -1.459
6 2HB GLU 1 1HB GLU 1 -5.132 6.127 -3.129
7 1HG GLU 1 2HG GLU 1 -5.869 8.903 -2.227
8 2HG GLU 1 1HG GLU 1 -4.282 8.392 -2.800
9 H GLU 2 H GLU 2 -7.519 4.468 -4.008
10 HA GLU 2 HA GLU 2 -8.287 2.621 -1.913
11 1HB GLU 2 2HB GLU 2 -8.035 2.209 -4.899
12 2HB GLU 2 1HB GLU 2 -8.681 1.031 -3.766
13 1HG GLU 2 2HG GLU 2 -10.524 2.067 -4.812
14 2HG GLU 2 1HG GLU 2 -10.445 2.702 -3.171
15 H ALA 3 H ALA 3 -6.860 1.454 -0.831
16 HA ALA 3 HA ALA 3 -4.721 0.075 -2.154
17 1HB ALA 3 1HB ALA 3 -4.184 2.566 -0.660
18 2HB ALA 3 2HB ALA 3 -3.294 1.823 -1.989
19 3HB ALA 3 3HB ALA 3 -3.101 1.211 -0.346
20 H ASP 4 H ASP 4 -7.040 -0.524 -0.492
21 HA ASP 4 HA ASP 4 -5.842 -1.503 1.990
22 1HB ASP 4 2HB ASP 4 -8.006 -0.341 2.143
23 2HB ASP 4 1HB ASP 4 -8.725 -1.532 1.063
24 H ASP 5 H ASP 5 -4.842 -2.744 -0.249
25 HA ASP 5 HA ASP 5 -6.171 -5.373 -0.243
26 1HB ASP 5 2HB ASP 5 -6.058 -4.339 -2.465
27 2HB ASP 5 1HB ASP 5 -4.312 -4.176 -2.311
28 H ASP 6 H ASP 6 -4.776 -5.083 1.948
29 HA ASP 6 HA ASP 6 -3.001 -5.763 3.208
30 1HB ASP 6 2HB ASP 6 -3.905 -7.920 2.521
31 2HB ASP 6 1HB ASP 6 -2.950 -7.872 1.044
32 H MET 7 H MET 7 -1.657 -3.956 2.832
33 HA MET 7 HA MET 7 0.916 -4.554 1.890
34 1HB MET 7 2HB MET 7 1.033 -3.060 -0.068
35 2HB MET 7 1HB MET 7 -0.060 -4.412 -0.330
36 1HG MET 7 2HG MET 7 -1.971 -2.970 0.119
37 2HG MET 7 1HG MET 7 -0.882 -1.609 0.401
38 1HE MET 7 1HE MET 7 -2.628 -0.614 -1.014
39 2HE MET 7 2HE MET 7 -3.306 -1.545 -2.350
40 3HE MET 7 3HE MET 7 -2.200 -0.211 -2.676
41 H GLY 8 H GLY 8 2.416 -2.940 2.380
42 1HA GLY 8 2HA GLY 8 2.206 -0.305 2.825
43 2HA GLY 8 1HA GLY 8 1.436 -0.958 4.263
44 H PHE 9 H PHE 9 4.430 -0.519 2.551
45 HA PHE 9 HA PHE 9 5.918 -0.796 4.981
46 1HB PHE 9 2HB PHE 9 7.409 -2.588 4.128
47 2HB PHE 9 1HB PHE 9 5.757 -3.131 4.401
48 HD1 PHE 9 1HD PHE 9 7.789 -1.687 1.598
49 HD2 PHE 9 2HD PHE 9 4.850 -4.497 2.841
50 HE1 PHE 9 1HE PHE 9 7.661 -2.557 -0.695
51 HE2 PHE 9 2HE PHE 9 4.719 -5.379 0.548
52 HZ PHE 9 HZ PHE 9 6.126 -4.408 -1.224
53 H GLY 10 H GLY 10 8.465 -1.127 3.873
54 1HA GLY 10 2HA GLY 10 9.050 1.483 3.052
55 2HA GLY 10 1HA GLY 10 10.147 0.116 2.927
56 H LEU 11 H LEU 11 7.634 1.936 1.310
57 HA LEU 11 HA LEU 11 8.810 1.701 -1.229
58 1HB LEU 11 2HB LEU 11 7.939 -0.614 -0.999
59 2HB LEU 11 1HB LEU 11 6.320 0.043 -0.828
60 1HD1 LEU 11 1HD2 LEU 11 6.427 -1.245 -4.298
61 2HD1 LEU 11 2HD2 LEU 11 5.835 -1.580 -2.671
62 3HD1 LEU 11 3HD2 LEU 11 7.509 -1.941 -3.091
63 1HD2 LEU 11 1HD1 LEU 11 5.565 0.795 -4.151
64 2HD2 LEU 11 2HD1 LEU 11 6.601 2.087 -3.545
65 3HD2 LEU 11 3HD1 LEU 11 5.379 1.371 -2.494
66 H PHE 12 H PHE 12 5.550 1.760 0.121
67 HA PHE 12 HA PHE 12 5.185 4.451 -1.007
68 1HB PHE 12 2HB PHE 12 2.852 3.896 -1.539
69 2HB PHE 12 1HB PHE 12 3.970 2.841 -2.403
70 HD1 PHE 12 1HD PHE 12 2.050 2.923 0.805
71 HD2 PHE 12 2HD PHE 12 3.498 0.600 -2.454
72 HE1 PHE 12 1HE PHE 12 0.887 0.952 1.699
73 HE2 PHE 12 2HE PHE 12 2.332 -1.375 -1.567
74 HZ PHE 12 HZ PHE 12 1.025 -1.199 0.513
75 H ASP 13 H ASP 13 5.526 2.818 1.747
76 HA ASP 13 HA ASP 13 3.347 3.458 3.362
77 1HB ASP 13 2HB ASP 13 4.898 3.184 5.254
78 2HB ASP 13 1HB ASP 13 5.113 1.905 4.060
Start of MODEL 2
1 1H GLU 1 1HT GLU 1 -4.702 9.184 -2.942
2 2H GLU 1 2HT GLU 1 -3.874 8.792 -1.492
3 3H GLU 1 3HT GLU 1 -5.574 8.583 -1.595
4 HA GLU 1 HA GLU 1 -5.101 7.013 -3.467
5 1HB GLU 1 2HB GLU 1 -2.383 7.174 -2.143
6 2HB GLU 1 1HB GLU 1 -2.852 5.991 -3.357
7 1HG GLU 1 2HG GLU 1 -2.719 8.970 -3.770
8 2HG GLU 1 1HG GLU 1 -1.511 7.801 -4.298
9 H GLU 2 H GLU 2 -5.306 4.800 -2.932
10 HA GLU 2 HA GLU 2 -5.262 4.164 -0.067
11 1HB GLU 2 2HB GLU 2 -7.537 3.527 -1.956
12 2HB GLU 2 1HB GLU 2 -7.404 2.950 -0.302
13 1HG GLU 2 2HG GLU 2 -8.909 4.766 -0.282
14 2HG GLU 2 1HG GLU 2 -7.407 5.341 0.438
15 H ALA 3 H ALA 3 -5.933 1.633 0.044
16 HA ALA 3 HA ALA 3 -5.075 -0.057 -2.032
17 1HB ALA 3 1HB ALA 3 -2.996 -0.159 0.070
18 2HB ALA 3 2HB ALA 3 -2.916 1.188 -1.065
19 3HB ALA 3 3HB ALA 3 -2.878 -0.471 -1.662
20 H ASP 4 H ASP 4 -7.109 -0.864 -1.130
21 HA ASP 4 HA ASP 4 -7.427 -1.849 1.456
22 1HB ASP 4 2HB ASP 4 -9.291 -1.599 -0.117
23 2HB ASP 4 1HB ASP 4 -8.637 -2.895 -1.113
24 H ASP 5 H ASP 5 -5.754 -3.187 -1.287
25 HA ASP 5 HA ASP 5 -5.610 -5.874 -0.524
26 1HB ASP 5 2HB ASP 5 -4.930 -5.043 -2.744
27 2HB ASP 5 1HB ASP 5 -3.551 -4.227 -2.015
28 H ASP 6 H ASP 6 -4.264 -7.019 0.811
29 HA ASP 6 HA ASP 6 -3.202 -5.814 3.068
30 1HB ASP 6 2HB ASP 6 -2.506 -8.486 1.837
31 2HB ASP 6 1HB ASP 6 -2.147 -7.999 3.485
32 H MET 7 H MET 7 -1.846 -4.101 2.478
33 HA MET 7 HA MET 7 0.893 -4.697 2.305
34 1HB MET 7 2HB MET 7 1.384 -3.772 0.062
35 2HB MET 7 1HB MET 7 0.453 -5.263 -0.007
36 1HG MET 7 2HG MET 7 -1.581 -3.995 -0.406
37 2HG MET 7 1HG MET 7 -0.672 -2.485 -0.302
38 1HE MET 7 1HE MET 7 -2.318 -2.449 -2.243
39 2HE MET 7 2HE MET 7 -2.171 -3.378 -3.736
40 3HE MET 7 3HE MET 7 -1.292 -1.860 -3.551
41 H GLY 8 H GLY 8 2.190 -2.884 2.633
42 1HA GLY 8 2HA GLY 8 1.750 -0.249 2.235
43 2HA GLY 8 1HA GLY 8 0.777 -0.579 3.659
44 H PHE 9 H PHE 9 3.997 -0.280 2.382
45 HA PHE 9 HA PHE 9 5.037 0.269 4.989
46 1HB PHE 9 2HB PHE 9 6.763 -1.514 4.930
47 2HB PHE 9 1HB PHE 9 5.125 -2.138 5.088
48 HD1 PHE 9 1HD PHE 9 7.520 -1.293 2.326
49 HD2 PHE 9 2HD PHE 9 4.614 -3.981 3.879
50 HE1 PHE 9 1HE PHE 9 7.858 -2.767 0.392
51 HE2 PHE 9 2HE PHE 9 4.950 -5.466 1.948
52 HZ PHE 9 HZ PHE 9 6.575 -4.859 0.199
53 H GLY 10 H GLY 10 7.757 -0.073 4.436
54 1HA GLY 10 2HA GLY 10 8.327 2.263 3.006
55 2HA GLY 10 1HA GLY 10 9.506 1.037 3.447
56 H LEU 11 H LEU 11 7.228 2.083 1.009
57 HA LEU 11 HA LEU 11 8.850 1.289 -1.143
58 1HB LEU 11 2HB LEU 11 8.070 -0.952 -0.405
59 2HB LEU 11 1HB LEU 11 6.416 -0.437 -0.685
60 1HD1 LEU 11 1HD2 LEU 11 7.656 -2.679 -3.486
61 2HD1 LEU 11 2HD2 LEU 11 6.213 -2.488 -2.491
62 3HD1 LEU 11 3HD2 LEU 11 7.775 -2.797 -1.730
63 1HD2 LEU 11 1HD1 LEU 11 6.220 -0.692 -4.153
64 2HD2 LEU 11 2HD1 LEU 11 7.077 0.808 -3.799
65 3HD2 LEU 11 3HD1 LEU 11 5.727 0.303 -2.782
66 H PHE 12 H PHE 12 5.415 1.427 -0.352
67 HA PHE 12 HA PHE 12 5.113 3.659 -2.238
68 1HB PHE 12 2HB PHE 12 2.938 2.753 -2.955
69 2HB PHE 12 1HB PHE 12 4.255 1.640 -3.324
70 HD1 PHE 12 1HD PHE 12 1.809 2.317 -0.577
71 HD2 PHE 12 2HD PHE 12 3.930 -0.580 -2.863
72 HE1 PHE 12 1HE PHE 12 0.635 0.520 0.617
73 HE2 PHE 12 2HE PHE 12 2.754 -2.381 -1.675
74 HZ PHE 12 HZ PHE 12 1.106 -1.832 0.068
75 H ASP 13 H ASP 13 5.061 2.876 0.872
76 HA ASP 13 HA ASP 13 2.588 3.670 1.889
77 1HB ASP 13 2HB ASP 13 3.792 4.078 3.997
78 2HB ASP 13 1HB ASP 13 4.296 2.561 3.256
Start of MODEL 3
1 1H GLU 1 1HT GLU 1 -3.865 9.132 -2.747
2 2H GLU 1 2HT GLU 1 -2.834 8.155 -1.784
3 3H GLU 1 3HT GLU 1 -4.373 8.627 -1.190
4 HA GLU 1 HA GLU 1 -5.316 7.438 -3.161
5 1HB GLU 1 2HB GLU 1 -2.522 6.278 -3.069
6 2HB GLU 1 1HB GLU 1 -3.850 5.651 -4.035
7 1HG GLU 1 2HG GLU 1 -2.605 8.376 -4.327
8 2HG GLU 1 1HG GLU 1 -2.291 6.983 -5.360
9 H GLU 2 H GLU 2 -5.287 4.795 -2.939
10 HA GLU 2 HA GLU 2 -5.217 4.168 -0.073
11 1HB GLU 2 2HB GLU 2 -7.512 3.539 -1.939
12 2HB GLU 2 1HB GLU 2 -7.370 2.969 -0.284
13 1HG GLU 2 2HG GLU 2 -8.862 4.795 -0.259
14 2HG GLU 2 1HG GLU 2 -7.350 5.362 0.446
15 H ALA 3 H ALA 3 -5.911 1.642 0.050
16 HA ALA 3 HA ALA 3 -5.077 -0.060 -2.028
17 1HB ALA 3 1HB ALA 3 -2.881 -0.490 -1.668
18 2HB ALA 3 2HB ALA 3 -2.988 -0.174 0.064
19 3HB ALA 3 3HB ALA 3 -2.903 1.171 -1.075
20 H ASP 4 H ASP 4 -7.112 -0.850 -1.113
21 HA ASP 4 HA ASP 4 -7.425 -1.825 1.478
22 1HB ASP 4 2HB ASP 4 -9.295 -1.566 -0.087
23 2HB ASP 4 1HB ASP 4 -8.654 -2.870 -1.084
24 H ASP 5 H ASP 5 -5.775 -3.184 -1.271
25 HA ASP 5 HA ASP 5 -5.646 -5.870 -0.501
26 1HB ASP 5 2HB ASP 5 -4.972 -5.049 -2.727
27 2HB ASP 5 1HB ASP 5 -3.583 -4.242 -2.007
28 H ASP 6 H ASP 6 -4.299 -7.022 0.827
29 HA ASP 6 HA ASP 6 -3.219 -5.818 3.078
30 1HB ASP 6 2HB ASP 6 -2.545 -8.497 1.847
31 2HB ASP 6 1HB ASP 6 -2.174 -8.009 3.492
32 H MET 7 H MET 7 -1.857 -4.114 2.476
33 HA MET 7 HA MET 7 0.879 -4.728 2.289
34 1HB MET 7 2HB MET 7 1.363 -3.809 0.043
35 2HB MET 7 1HB MET 7 0.417 -5.289 -0.022
36 1HG MET 7 2HG MET 7 -1.607 -3.997 -0.405
37 2HG MET 7 1HG MET 7 -0.680 -2.498 -0.307
38 1HE MET 7 1HE MET 7 -2.407 -2.564 -2.259
39 2HE MET 7 2HE MET 7 -2.128 -3.316 -3.831
40 3HE MET 7 3HE MET 7 -1.330 -1.794 -3.427
41 H GLY 8 H GLY 8 2.195 -2.916 2.585
42 1HA GLY 8 2HA GLY 8 1.779 -0.283 2.199
43 2HA GLY 8 1HA GLY 8 0.793 -0.601 3.618
44 H PHE 9 H PHE 9 4.013 -0.285 2.370
45 HA PHE 9 HA PHE 9 5.038 0.219 4.993
46 1HB PHE 9 2HB PHE 9 6.778 -1.550 4.903
47 2HB PHE 9 1HB PHE 9 5.144 -2.188 5.043
48 HD1 PHE 9 1HD PHE 9 7.535 -1.266 2.301
49 HD2 PHE 9 2HD PHE 9 4.659 -4.015 3.802
50 HE1 PHE 9 1HE PHE 9 7.891 -2.699 0.340
51 HE2 PHE 9 2HE PHE 9 5.011 -5.459 1.842
52 HZ PHE 9 HZ PHE 9 6.630 -4.801 0.107
53 H GLY 10 H GLY 10 7.764 -0.088 4.446
54 1HA GLY 10 2HA GLY 10 8.320 2.279 3.065
55 2HA GLY 10 1HA GLY 10 9.507 1.054 3.486
56 H LEU 11 H LEU 11 7.238 2.138 1.058
57 HA LEU 11 HA LEU 11 8.871 1.398 -1.101
58 1HB LEU 11 2HB LEU 11 8.112 -0.865 -0.409
59 2HB LEU 11 1HB LEU 11 6.454 -0.361 -0.685
60 1HD1 LEU 11 1HD2 LEU 11 7.464 -2.490 -3.609
61 2HD1 LEU 11 2HD2 LEU 11 6.337 -2.410 -2.254
62 3HD1 LEU 11 3HD2 LEU 11 8.050 -2.707 -1.960
63 1HD2 LEU 11 1HD1 LEU 11 6.348 -0.522 -4.211
64 2HD2 LEU 11 2HD1 LEU 11 7.085 0.996 -3.698
65 3HD2 LEU 11 3HD1 LEU 11 5.724 0.329 -2.797
66 H PHE 12 H PHE 12 5.394 1.318 -0.507
67 HA PHE 12 HA PHE 12 5.088 3.615 -2.322
68 1HB PHE 12 2HB PHE 12 2.920 2.687 -3.023
69 2HB PHE 12 1HB PHE 12 4.240 1.576 -3.381
70 HD1 PHE 12 1HD PHE 12 1.798 2.278 -0.635
71 HD2 PHE 12 2HD PHE 12 3.924 -0.639 -2.892
72 HE1 PHE 12 1HE PHE 12 0.634 0.491 0.583
73 HE2 PHE 12 2HE PHE 12 2.759 -2.430 -1.679
74 HZ PHE 12 HZ PHE 12 1.113 -1.866 0.061
75 H ASP 13 H ASP 13 4.918 2.684 0.809
76 HA ASP 13 HA ASP 13 2.481 3.563 1.793
77 1HB ASP 13 2HB ASP 13 3.653 3.900 3.931
78 2HB ASP 13 1HB ASP 13 4.137 2.387 3.169
Start of MODEL 4
1 1H GLU 1 1HT GLU 1 -7.715 9.013 -3.076
2 2H GLU 1 2HT GLU 1 -6.763 8.431 -1.772
3 3H GLU 1 3HT GLU 1 -8.471 8.268 -1.730
4 HA GLU 1 HA GLU 1 -8.227 6.931 -3.815
5 1HB GLU 1 2HB GLU 1 -5.393 6.877 -2.756
6 2HB GLU 1 1HB GLU 1 -6.011 5.862 -4.050
7 1HG GLU 1 2HG GLU 1 -5.828 8.866 -4.115
8 2HG GLU 1 1HG GLU 1 -4.712 7.748 -4.896
9 H GLU 2 H GLU 2 -7.355 4.476 -3.432
10 HA GLU 2 HA GLU 2 -7.938 3.750 -0.649
11 1HB GLU 2 2HB GLU 2 -9.198 2.469 -3.081
12 2HB GLU 2 1HB GLU 2 -9.368 1.891 -1.431
13 1HG GLU 2 2HG GLU 2 -11.338 3.078 -1.953
14 2HG GLU 2 1HG GLU 2 -10.404 4.096 -0.859
15 H ALA 3 H ALA 3 -7.694 1.152 -0.577
16 HA ALA 3 HA ALA 3 -5.751 -0.045 -2.223
17 1HB ALA 3 1HB ALA 3 -3.985 1.166 -1.465
18 2HB ALA 3 2HB ALA 3 -4.013 -0.066 -0.203
19 3HB ALA 3 3HB ALA 3 -4.745 1.511 0.089
20 H ASP 4 H ASP 4 -7.680 -1.446 -1.815
21 HA ASP 4 HA ASP 4 -8.200 -2.640 0.664
22 1HB ASP 4 2HB ASP 4 -9.750 -2.785 -1.231
23 2HB ASP 4 1HB ASP 4 -8.595 -3.781 -2.112
24 H ASP 5 H ASP 5 -5.794 -3.317 -1.774
25 HA ASP 5 HA ASP 5 -5.051 -5.895 -0.857
26 1HB ASP 5 2HB ASP 5 -4.472 -5.091 -3.102
27 2HB ASP 5 1HB ASP 5 -3.438 -3.849 -2.401
28 H ASP 6 H ASP 6 -3.755 -6.522 0.766
29 HA ASP 6 HA ASP 6 -3.048 -4.794 2.832
30 1HB ASP 6 2HB ASP 6 -1.958 -7.534 2.163
31 2HB ASP 6 1HB ASP 6 -1.776 -6.716 3.705
32 H MET 7 H MET 7 -1.400 -3.438 3.088
33 HA MET 7 HA MET 7 1.250 -3.940 2.310
34 1HB MET 7 2HB MET 7 1.508 -2.294 0.501
35 2HB MET 7 1HB MET 7 0.433 -3.606 0.039
36 1HG MET 7 2HG MET 7 -1.500 -2.182 0.482
37 2HG MET 7 1HG MET 7 -0.420 -0.865 0.946
38 1HE MET 7 1HE MET 7 -2.685 -0.577 -1.828
39 2HE MET 7 2HE MET 7 -1.560 0.732 -2.190
40 3HE MET 7 3HE MET 7 -1.975 0.363 -0.516
41 H GLY 8 H GLY 8 2.656 -1.987 2.591
42 1HA GLY 8 2HA GLY 8 2.268 0.470 3.395
43 2HA GLY 8 1HA GLY 8 1.555 -0.361 4.769
44 H PHE 9 H PHE 9 4.551 -0.289 2.842
45 HA PHE 9 HA PHE 9 6.109 -0.099 5.243
46 1HB PHE 9 2HB PHE 9 7.482 -2.128 4.700
47 2HB PHE 9 1HB PHE 9 5.838 -2.469 5.216
48 HD1 PHE 9 1HD PHE 9 7.796 -2.000 2.057
49 HD2 PHE 9 2HD PHE 9 4.601 -3.979 4.050
50 HE1 PHE 9 1HE PHE 9 7.414 -3.378 0.062
51 HE2 PHE 9 2HE PHE 9 4.217 -5.368 2.057
52 HZ PHE 9 HZ PHE 9 5.625 -5.068 0.060
53 H GLY 10 H GLY 10 8.512 -1.115 3.653
54 1HA GLY 10 2HA GLY 10 9.366 1.368 2.728
55 2HA GLY 10 1HA GLY 10 10.147 -0.160 2.372
56 H LEU 11 H LEU 11 7.054 -0.451 1.198
57 HA LEU 11 HA LEU 11 7.903 -0.277 -1.494
58 1HB LEU 11 2HB LEU 11 6.116 -1.794 -0.680
59 2HB LEU 11 1HB LEU 11 5.089 -0.398 -0.405
60 1HD1 LEU 11 1HD2 LEU 11 4.202 -2.362 -3.547
61 2HD1 LEU 11 2HD2 LEU 11 3.298 -1.522 -2.288
62 3HD1 LEU 11 3HD2 LEU 11 4.467 -2.768 -1.851
63 1HD2 LEU 11 1HD1 LEU 11 3.958 0.272 -3.585
64 2HD2 LEU 11 2HD1 LEU 11 5.607 0.895 -3.573
65 3HD2 LEU 11 3HD1 LEU 11 4.590 1.065 -2.142
66 H PHE 12 H PHE 12 6.060 1.826 0.612
67 HA PHE 12 HA PHE 12 6.571 4.053 -1.191
68 1HB PHE 12 2HB PHE 12 4.200 4.817 -1.055
69 2HB PHE 12 1HB PHE 12 4.410 3.322 -1.964
70 HD1 PHE 12 1HD PHE 12 3.782 4.338 1.592
71 HD2 PHE 12 2HD PHE 12 2.829 1.718 -1.624
72 HE1 PHE 12 1HE PHE 12 2.094 3.237 2.995
73 HE2 PHE 12 2HE PHE 12 1.135 0.614 -0.225
74 HZ PHE 12 HZ PHE 12 0.765 1.373 2.088
75 H ASP 13 H ASP 13 7.268 3.060 1.607
76 HA ASP 13 HA ASP 13 6.138 4.588 3.602
77 1HB ASP 13 2HB ASP 13 8.264 4.340 4.810
78 2HB ASP 13 1HB ASP 13 7.796 2.832 4.029
Start of MODEL 5
1 1H GLU 1 1HT GLU 1 -7.761 8.822 -2.861
2 2H GLU 1 2HT GLU 1 -8.020 8.682 -1.171
3 3H GLU 1 3HT GLU 1 -8.766 7.576 -2.249
4 HA GLU 1 HA GLU 1 -6.496 6.919 -2.951
5 1HB GLU 1 2HB GLU 1 -5.850 8.429 -0.409
6 2HB GLU 1 1HB GLU 1 -4.723 7.418 -1.303
7 1HG GLU 1 2HG GLU 1 -6.035 9.920 -2.342
8 2HG GLU 1 1HG GLU 1 -4.382 9.794 -1.745
9 H GLU 2 H GLU 2 -6.717 4.817 -2.593
10 HA GLU 2 HA GLU 2 -7.217 3.892 0.146
11 1HB GLU 2 2HB GLU 2 -8.623 2.859 -2.325
12 2HB GLU 2 1HB GLU 2 -8.752 2.156 -0.720
13 1HG GLU 2 2HG GLU 2 -10.691 3.456 -1.063
14 2HG GLU 2 1HG GLU 2 -9.674 4.345 0.068
15 H ALA 3 H ALA 3 -7.095 1.278 -0.024
16 HA ALA 3 HA ALA 3 -5.251 0.160 -1.831
17 1HB ALA 3 1HB ALA 3 -3.211 0.327 -0.851
18 2HB ALA 3 2HB ALA 3 -3.877 0.405 0.779
19 3HB ALA 3 3HB ALA 3 -3.903 1.834 -0.253
20 H ASP 4 H ASP 4 -7.222 -1.197 -1.494
21 HA ASP 4 HA ASP 4 -7.728 -2.591 0.882
22 1HB ASP 4 2HB ASP 4 -9.329 -2.504 -0.975
23 2HB ASP 4 1HB ASP 4 -8.238 -3.459 -1.973
24 H ASP 5 H ASP 5 -5.411 -3.134 -1.672
25 HA ASP 5 HA ASP 5 -4.754 -5.806 -1.145
26 1HB ASP 5 2HB ASP 5 -4.008 -4.626 -3.163
27 2HB ASP 5 1HB ASP 5 -2.981 -3.583 -2.185
28 H ASP 6 H ASP 6 -3.584 -6.780 0.400
29 HA ASP 6 HA ASP 6 -2.952 -5.499 2.792
30 1HB ASP 6 2HB ASP 6 -1.910 -8.111 1.680
31 2HB ASP 6 1HB ASP 6 -1.800 -7.603 3.356
32 H MET 7 H MET 7 -1.676 -3.674 2.292
33 HA MET 7 HA MET 7 1.127 -4.130 2.424
34 1HB MET 7 2HB MET 7 1.761 -3.034 0.316
35 2HB MET 7 1HB MET 7 0.874 -4.525 0.033
36 1HG MET 7 2HG MET 7 -1.154 -3.240 -0.404
37 2HG MET 7 1HG MET 7 -0.263 -1.742 -0.119
38 1HE MET 7 1HE MET 7 -1.737 -1.515 -2.159
39 2HE MET 7 2HE MET 7 -1.536 -2.395 -3.675
40 3HE MET 7 3HE MET 7 -0.643 -0.900 -3.397
41 H GLY 8 H GLY 8 2.358 -2.093 2.545
42 1HA GLY 8 2HA GLY 8 1.669 0.463 2.444
43 2HA GLY 8 1HA GLY 8 0.727 -0.046 3.837
44 H PHE 9 H PHE 9 4.053 -0.126 2.570
45 HA PHE 9 HA PHE 9 5.046 0.858 5.075
46 1HB PHE 9 2HB PHE 9 6.632 -1.064 5.381
47 2HB PHE 9 1HB PHE 9 4.940 -1.455 5.652
48 HD1 PHE 9 1HD PHE 9 7.496 -1.581 2.914
49 HD2 PHE 9 2HD PHE 9 4.081 -3.351 4.734
50 HE1 PHE 9 1HE PHE 9 7.638 -3.459 1.341
51 HE2 PHE 9 2HE PHE 9 4.223 -5.238 3.164
52 HZ PHE 9 HZ PHE 9 6.004 -5.295 1.466
53 H GLY 10 H GLY 10 7.794 -0.237 4.310
54 1HA GLY 10 2HA GLY 10 8.666 2.010 2.916
55 2HA GLY 10 1HA GLY 10 9.601 0.546 3.148
56 H LEU 11 H LEU 11 6.856 -0.402 1.537
57 HA LEU 11 HA LEU 11 8.249 -0.825 -0.887
58 1HB LEU 11 2HB LEU 11 6.430 -2.285 -0.040
59 2HB LEU 11 1HB LEU 11 5.281 -0.998 -0.359
60 1HD1 LEU 11 1HD2 LEU 11 4.471 -3.166 -3.031
61 2HD1 LEU 11 2HD2 LEU 11 4.329 -3.035 -1.279
62 3HD1 LEU 11 3HD2 LEU 11 5.562 -4.079 -1.988
63 1HD2 LEU 11 1HD1 LEU 11 4.817 -1.305 -3.755
64 2HD2 LEU 11 2HD1 LEU 11 6.382 -0.508 -3.603
65 3HD2 LEU 11 3HD1 LEU 11 5.073 -0.100 -2.495
66 H PHE 12 H PHE 12 5.865 1.513 0.169
67 HA PHE 12 HA PHE 12 6.607 3.247 -2.046
68 1HB PHE 12 2HB PHE 12 4.220 3.732 -2.577
69 2HB PHE 12 1HB PHE 12 4.715 2.089 -2.982
70 HD1 PHE 12 1HD PHE 12 3.275 3.900 -0.030
71 HD2 PHE 12 2HD PHE 12 3.204 0.448 -2.519
72 HE1 PHE 12 1HE PHE 12 1.397 3.002 1.276
73 HE2 PHE 12 2HE PHE 12 1.324 -0.454 -1.218
74 HZ PHE 12 HZ PHE 12 0.417 0.823 0.683
75 H ASP 13 H ASP 13 6.750 3.094 0.997
76 HA ASP 13 HA ASP 13 5.123 4.936 2.243
77 1HB ASP 13 2HB ASP 13 6.951 5.262 3.852
78 2HB ASP 13 1HB ASP 13 6.760 3.559 3.443
Start of MODEL 6
1 1H GLU 1 1HT GLU 1 -7.163 9.295 -1.854
2 2H GLU 1 2HT GLU 1 -6.498 8.768 -0.363
3 3H GLU 1 3HT GLU 1 -8.111 8.355 -0.780
4 HA GLU 1 HA GLU 1 -7.130 7.218 -2.765
5 1HB GLU 1 2HB GLU 1 -4.693 7.501 -0.993
6 2HB GLU 1 1HB GLU 1 -4.788 6.501 -2.435
7 1HG GLU 1 2HG GLU 1 -5.072 9.497 -2.358
8 2HG GLU 1 1HG GLU 1 -3.629 8.610 -2.849
9 H GLU 2 H GLU 2 -6.640 4.877 -2.531
10 HA GLU 2 HA GLU 2 -7.261 3.842 0.144
11 1HB GLU 2 2HB GLU 2 -8.570 2.932 -2.428
12 2HB GLU 2 1HB GLU 2 -8.775 2.164 -0.861
13 1HG GLU 2 2HG GLU 2 -10.683 3.500 -1.230
14 2HG GLU 2 1HG GLU 2 -9.708 4.327 -0.019
15 H ALA 3 H ALA 3 -7.096 1.274 -0.032
16 HA ALA 3 HA ALA 3 -5.252 0.154 -1.838
17 1HB ALA 3 1HB ALA 3 -3.212 0.322 -0.859
18 2HB ALA 3 2HB ALA 3 -3.877 0.402 0.773
19 3HB ALA 3 3HB ALA 3 -3.904 1.831 -0.261
20 H ASP 4 H ASP 4 -7.223 -1.203 -1.499
21 HA ASP 4 HA ASP 4 -7.729 -2.593 0.879
22 1HB ASP 4 2HB ASP 4 -9.330 -2.509 -0.978
23 2HB ASP 4 1HB ASP 4 -8.238 -3.466 -1.975
24 H ASP 5 H ASP 5 -5.411 -3.140 -1.673
25 HA ASP 5 HA ASP 5 -4.754 -5.810 -1.143
26 1HB ASP 5 2HB ASP 5 -4.007 -4.634 -3.162
27 2HB ASP 5 1HB ASP 5 -2.980 -3.590 -2.186
28 H ASP 6 H ASP 6 -3.584 -6.783 0.404
29 HA ASP 6 HA ASP 6 -2.954 -5.498 2.795
30 1HB ASP 6 2HB ASP 6 -1.910 -8.111 1.687
31 2HB ASP 6 1HB ASP 6 -1.800 -7.601 3.362
32 H MET 7 H MET 7 -1.678 -3.673 2.292
33 HA MET 7 HA MET 7 1.126 -4.129 2.426
34 1HB MET 7 2HB MET 7 1.760 -3.035 0.317
35 2HB MET 7 1HB MET 7 0.873 -4.527 0.035
36 1HG MET 7 2HG MET 7 -1.156 -3.241 -0.403
37 2HG MET 7 1HG MET 7 -0.264 -1.743 -0.120
38 1HE MET 7 1HE MET 7 -1.659 -2.454 -3.519
39 2HE MET 7 2HE MET 7 -0.634 -1.020 -3.567
40 3HE MET 7 3HE MET 7 -1.626 -1.347 -2.147
41 H GLY 8 H GLY 8 2.357 -2.090 2.544
42 1HA GLY 8 2HA GLY 8 1.667 0.464 2.440
43 2HA GLY 8 1HA GLY 8 0.724 -0.042 3.834
44 H PHE 9 H PHE 9 4.051 -0.124 2.569
45 HA PHE 9 HA PHE 9 5.042 0.862 5.073
46 1HB PHE 9 2HB PHE 9 6.628 -1.059 5.382
47 2HB PHE 9 1HB PHE 9 4.936 -1.449 5.651
48 HD1 PHE 9 1HD PHE 9 7.493 -1.578 2.916
49 HD2 PHE 9 2HD PHE 9 4.078 -3.346 4.736
50 HE1 PHE 9 1HE PHE 9 7.636 -3.458 1.345
51 HE2 PHE 9 2HE PHE 9 4.221 -5.236 3.169
52 HZ PHE 9 HZ PHE 9 6.002 -5.294 1.471
53 H GLY 10 H GLY 10 7.790 -0.233 4.311
54 1HA GLY 10 2HA GLY 10 8.663 2.013 2.915
55 2HA GLY 10 1HA GLY 10 9.598 0.550 3.149
56 H LEU 11 H LEU 11 6.855 -0.401 1.538
57 HA LEU 11 HA LEU 11 8.248 -0.826 -0.886
58 1HB LEU 11 2HB LEU 11 6.429 -2.286 -0.038
59 2HB LEU 11 1HB LEU 11 5.280 -0.998 -0.359
60 1HD1 LEU 11 1HD2 LEU 11 4.461 -3.161 -3.023
61 2HD1 LEU 11 2HD2 LEU 11 4.338 -3.046 -1.268
62 3HD1 LEU 11 3HD2 LEU 11 5.563 -4.083 -2.000
63 1HD2 LEU 11 1HD1 LEU 11 4.818 -1.310 -3.754
64 2HD2 LEU 11 2HD1 LEU 11 6.384 -0.512 -3.603
65 3HD2 LEU 11 3HD1 LEU 11 5.074 -0.103 -2.495
66 H PHE 12 H PHE 12 5.865 1.512 0.167
67 HA PHE 12 HA PHE 12 6.607 3.244 -2.049
68 1HB PHE 12 2HB PHE 12 4.219 3.728 -2.582
69 2HB PHE 12 1HB PHE 12 4.715 2.086 -2.985
70 HD1 PHE 12 1HD PHE 12 3.273 3.900 -0.035
71 HD2 PHE 12 2HD PHE 12 3.204 0.446 -2.522
72 HE1 PHE 12 1HE PHE 12 1.397 3.003 1.270
73 HE2 PHE 12 2HE PHE 12 1.324 -0.456 -1.220
74 HZ PHE 12 HZ PHE 12 0.417 0.823 0.678
75 H ASP 13 H ASP 13 6.748 3.095 0.992
76 HA ASP 13 HA ASP 13 5.121 4.937 2.237
77 1HB ASP 13 2HB ASP 13 6.947 5.266 3.846
78 2HB ASP 13 1HB ASP 13 6.757 3.563 3.439
Start of MODEL 7
1 1H GLU 1 1HT GLU 1 -7.650 9.033 -2.510
2 2H GLU 1 2HT GLU 1 -7.404 8.851 -0.822
3 3H GLU 1 3HT GLU 1 -8.648 7.970 -1.609
4 HA GLU 1 HA GLU 1 -6.835 6.973 -2.994
5 1HB GLU 1 2HB GLU 1 -5.249 8.081 -0.667
6 2HB GLU 1 1HB GLU 1 -4.630 6.966 -1.877
7 1HG GLU 1 2HG GLU 1 -5.616 9.760 -2.411
8 2HG GLU 1 1HG GLU 1 -3.928 9.265 -2.297
9 H GLU 2 H GLU 2 -6.723 4.818 -2.597
10 HA GLU 2 HA GLU 2 -7.224 3.889 0.143
11 1HB GLU 2 2HB GLU 2 -8.623 2.859 -2.334
12 2HB GLU 2 1HB GLU 2 -8.756 2.155 -0.729
13 1HG GLU 2 2HG GLU 2 -10.694 3.455 -1.077
14 2HG GLU 2 1HG GLU 2 -9.680 4.342 0.059
15 H ALA 3 H ALA 3 -7.098 1.278 -0.027
16 HA ALA 3 HA ALA 3 -5.252 0.159 -1.832
17 1HB ALA 3 1HB ALA 3 -3.880 0.407 0.780
18 2HB ALA 3 2HB ALA 3 -3.905 1.835 -0.254
19 3HB ALA 3 3HB ALA 3 -3.212 0.327 -0.851
20 H ASP 4 H ASP 4 -7.224 -1.198 -1.495
21 HA ASP 4 HA ASP 4 -7.729 -2.591 0.881
22 1HB ASP 4 2HB ASP 4 -9.329 -2.506 -0.976
23 2HB ASP 4 1HB ASP 4 -8.238 -3.461 -1.974
24 H ASP 5 H ASP 5 -5.412 -3.135 -1.673
25 HA ASP 5 HA ASP 5 -4.754 -5.806 -1.144
26 1HB ASP 5 2HB ASP 5 -4.007 -4.627 -3.162
27 2HB ASP 5 1HB ASP 5 -2.981 -3.583 -2.185
28 H ASP 6 H ASP 6 -3.584 -6.780 0.402
29 HA ASP 6 HA ASP 6 -2.953 -5.497 2.792
30 1HB ASP 6 2HB ASP 6 -1.911 -8.110 1.682
31 2HB ASP 6 1HB ASP 6 -1.801 -7.601 3.358
32 H MET 7 H MET 7 -1.677 -3.673 2.291
33 HA MET 7 HA MET 7 1.126 -4.130 2.422
34 1HB MET 7 2HB MET 7 1.761 -3.032 0.315
35 2HB MET 7 1HB MET 7 0.872 -4.522 0.032
36 1HG MET 7 2HG MET 7 -1.156 -3.235 -0.403
37 2HG MET 7 1HG MET 7 -0.264 -1.739 -0.117
38 1HE MET 7 1HE MET 7 -1.686 -1.425 -2.144
39 2HE MET 7 2HE MET 7 -1.600 -2.418 -3.599
40 3HE MET 7 3HE MET 7 -0.637 -0.946 -3.478
41 H GLY 8 H GLY 8 2.359 -2.093 2.545
42 1HA GLY 8 2HA GLY 8 1.671 0.462 2.447
43 2HA GLY 8 1HA GLY 8 0.729 -0.047 3.841
44 H PHE 9 H PHE 9 4.055 -0.127 2.571
45 HA PHE 9 HA PHE 9 5.049 0.854 5.076
46 1HB PHE 9 2HB PHE 9 6.635 -1.068 5.379
47 2HB PHE 9 1HB PHE 9 4.942 -1.459 5.650
48 HD1 PHE 9 1HD PHE 9 7.496 -1.582 2.911
49 HD2 PHE 9 2HD PHE 9 4.084 -3.354 4.731
50 HE1 PHE 9 1HE PHE 9 7.637 -3.460 1.336
51 HE2 PHE 9 2HE PHE 9 4.223 -5.240 3.160
52 HZ PHE 9 HZ PHE 9 6.002 -5.295 1.460
53 H GLY 10 H GLY 10 7.796 -0.241 4.308
54 1HA GLY 10 2HA GLY 10 8.668 2.007 2.916
55 2HA GLY 10 1HA GLY 10 9.603 0.543 3.147
56 H LEU 11 H LEU 11 6.857 -0.403 1.536
57 HA LEU 11 HA LEU 11 8.248 -0.823 -0.890
58 1HB LEU 11 2HB LEU 11 6.429 -2.284 -0.043
59 2HB LEU 11 1HB LEU 11 5.280 -0.996 -0.360
60 1HD1 LEU 11 1HD2 LEU 11 5.404 -3.942 -1.483
61 2HD1 LEU 11 2HD2 LEU 11 4.882 -3.512 -3.113
62 3HD1 LEU 11 3HD2 LEU 11 4.067 -2.815 -1.712
63 1HD2 LEU 11 1HD1 LEU 11 4.815 -1.299 -3.756
64 2HD2 LEU 11 2HD1 LEU 11 6.380 -0.502 -3.604
65 3HD2 LEU 11 3HD1 LEU 11 5.071 -0.095 -2.494
66 H PHE 12 H PHE 12 5.867 1.513 0.171
67 HA PHE 12 HA PHE 12 6.607 3.250 -2.043
68 1HB PHE 12 2HB PHE 12 4.219 3.737 -2.572
69 2HB PHE 12 1HB PHE 12 4.713 2.095 -2.979
70 HD1 PHE 12 1HD PHE 12 3.276 3.902 -0.024
71 HD2 PHE 12 2HD PHE 12 3.202 0.454 -2.518
72 HE1 PHE 12 1HE PHE 12 1.399 3.003 1.282
73 HE2 PHE 12 2HE PHE 12 1.323 -0.449 -1.215
74 HZ PHE 12 HZ PHE 12 0.418 0.825 0.687
75 H ASP 13 H ASP 13 6.752 3.094 0.999
76 HA ASP 13 HA ASP 13 5.125 4.935 2.249
77 1HB ASP 13 2HB ASP 13 6.955 5.259 3.857
78 2HB ASP 13 1HB ASP 13 6.763 3.557 3.445
Start of MODEL 8
1 1H GLU 1 1HT GLU 1 -7.743 8.721 -2.996
2 2H GLU 1 2HT GLU 1 -8.237 8.563 -1.360
3 3H GLU 1 3HT GLU 1 -8.706 7.385 -2.517
4 HA GLU 1 HA GLU 1 -6.314 6.934 -2.862
5 1HB GLU 1 2HB GLU 1 -6.173 8.542 -0.302
6 2HB GLU 1 1HB GLU 1 -4.843 7.627 -1.001
7 1HG GLU 1 2HG GLU 1 -6.220 9.975 -2.286
8 2HG GLU 1 1HG GLU 1 -4.662 10.017 -1.464
9 H GLU 2 H GLU 2 -6.703 4.829 -2.584
10 HA GLU 2 HA GLU 2 -7.233 3.880 0.142
11 1HB GLU 2 2HB GLU 2 -8.614 2.872 -2.354
12 2HB GLU 2 1HB GLU 2 -8.761 2.155 -0.756
13 1HG GLU 2 2HG GLU 2 -10.694 3.461 -1.109
14 2HG GLU 2 1HG GLU 2 -9.688 4.337 0.041
15 H ALA 3 H ALA 3 -7.099 1.276 -0.029
16 HA ALA 3 HA ALA 3 -5.252 0.159 -1.832
17 1HB ALA 3 1HB ALA 3 -3.881 0.407 0.780
18 2HB ALA 3 2HB ALA 3 -3.907 1.835 -0.254
19 3HB ALA 3 3HB ALA 3 -3.213 0.328 -0.851
20 H ASP 4 H ASP 4 -7.223 -1.199 -1.497
21 HA ASP 4 HA ASP 4 -7.729 -2.591 0.880
22 1HB ASP 4 2HB ASP 4 -9.329 -2.506 -0.977
23 2HB ASP 4 1HB ASP 4 -8.237 -3.463 -1.975
24 H ASP 5 H ASP 5 -5.411 -3.135 -1.673
25 HA ASP 5 HA ASP 5 -4.753 -5.806 -1.145
26 1HB ASP 5 2HB ASP 5 -4.007 -4.628 -3.162
27 2HB ASP 5 1HB ASP 5 -2.980 -3.584 -2.185
28 H ASP 6 H ASP 6 -3.583 -6.779 0.402
29 HA ASP 6 HA ASP 6 -2.953 -5.497 2.793
30 1HB ASP 6 2HB ASP 6 -1.911 -8.109 1.684
31 2HB ASP 6 1HB ASP 6 -1.800 -7.600 3.359
32 H MET 7 H MET 7 -1.678 -3.672 2.290
33 HA MET 7 HA MET 7 1.127 -4.129 2.423
34 1HB MET 7 2HB MET 7 1.760 -3.032 0.316
35 2HB MET 7 1HB MET 7 0.873 -4.523 0.032
36 1HG MET 7 2HG MET 7 -1.156 -3.236 -0.402
37 2HG MET 7 1HG MET 7 -0.263 -1.739 -0.117
38 1HE MET 7 1HE MET 7 -1.885 -1.798 -2.260
39 2HE MET 7 2HE MET 7 -1.318 -2.225 -3.874
40 3HE MET 7 3HE MET 7 -0.720 -0.765 -3.087
41 H GLY 8 H GLY 8 2.359 -2.092 2.545
42 1HA GLY 8 2HA GLY 8 1.670 0.463 2.447
43 2HA GLY 8 1HA GLY 8 0.729 -0.046 3.841
44 H PHE 9 H PHE 9 4.054 -0.127 2.572
45 HA PHE 9 HA PHE 9 5.050 0.855 5.076
46 1HB PHE 9 2HB PHE 9 6.635 -1.067 5.380
47 2HB PHE 9 1HB PHE 9 4.942 -1.458 5.651
48 HD1 PHE 9 1HD PHE 9 7.496 -1.582 2.911
49 HD2 PHE 9 2HD PHE 9 4.083 -3.353 4.733
50 HE1 PHE 9 1HE PHE 9 7.637 -3.459 1.336
51 HE2 PHE 9 2HE PHE 9 4.223 -5.239 3.161
52 HZ PHE 9 HZ PHE 9 6.001 -5.295 1.461
53 H GLY 10 H GLY 10 7.795 -0.240 4.309
54 1HA GLY 10 2HA GLY 10 8.667 2.007 2.916
55 2HA GLY 10 1HA GLY 10 9.603 0.544 3.147
56 H LEU 11 H LEU 11 6.856 -0.404 1.537
57 HA LEU 11 HA LEU 11 8.247 -0.824 -0.890
58 1HB LEU 11 2HB LEU 11 6.428 -2.284 -0.042
59 2HB LEU 11 1HB LEU 11 5.279 -0.996 -0.360
60 1HD1 LEU 11 1HD2 LEU 11 4.636 -3.305 -3.102
61 2HD1 LEU 11 2HD2 LEU 11 4.196 -2.923 -1.437
62 3HD1 LEU 11 3HD2 LEU 11 5.519 -4.042 -1.766
63 1HD2 LEU 11 1HD1 LEU 11 4.813 -1.300 -3.755
64 2HD2 LEU 11 2HD1 LEU 11 6.379 -0.504 -3.604
65 3HD2 LEU 11 3HD1 LEU 11 5.071 -0.096 -2.494
66 H PHE 12 H PHE 12 5.866 1.513 0.171
67 HA PHE 12 HA PHE 12 6.607 3.249 -2.044
68 1HB PHE 12 2HB PHE 12 4.219 3.736 -2.573
69 2HB PHE 12 1HB PHE 12 4.713 2.093 -2.979
70 HD1 PHE 12 1HD PHE 12 3.275 3.903 -0.025
71 HD2 PHE 12 2HD PHE 12 3.201 0.453 -2.517
72 HE1 PHE 12 1HE PHE 12 1.400 3.004 1.281
73 HE2 PHE 12 2HE PHE 12 1.322 -0.449 -1.214
74 HZ PHE 12 HZ PHE 12 0.418 0.826 0.687
75 H ASP 13 H ASP 13 6.751 3.094 0.998
76 HA ASP 13 HA ASP 13 5.126 4.936 2.248
77 1HB ASP 13 2HB ASP 13 6.955 5.260 3.855
78 2HB ASP 13 1HB ASP 13 6.763 3.557 3.445
Start of MODEL 9
1 1H GLU 1 1HT GLU 1 -8.057 9.035 -2.452
2 2H GLU 1 2HT GLU 1 -7.798 8.819 -0.768
3 3H GLU 1 3HT GLU 1 -9.032 7.935 -1.569
4 HA GLU 1 HA GLU 1 -7.215 6.995 -2.984
5 1HB GLU 1 2HB GLU 1 -5.626 8.087 -0.650
6 2HB GLU 1 1HB GLU 1 -5.000 7.006 -1.886
7 1HG GLU 1 2HG GLU 1 -6.039 9.791 -2.358
8 2HG GLU 1 1HG GLU 1 -4.342 9.325 -2.269
9 H GLU 2 H GLU 2 -6.972 4.833 -2.604
10 HA GLU 2 HA GLU 2 -7.494 3.851 0.111
11 1HB GLU 2 2HB GLU 2 -8.810 2.800 -2.401
12 2HB GLU 2 1HB GLU 2 -8.942 2.070 -0.810
13 1HG GLU 2 2HG GLU 2 -10.923 3.299 -1.175
14 2HG GLU 2 1HG GLU 2 -9.964 4.211 -0.012
15 H ALA 3 H ALA 3 -7.268 1.246 -0.092
16 HA ALA 3 HA ALA 3 -5.345 0.226 -1.875
17 1HB ALA 3 1HB ALA 3 -3.333 0.430 -0.832
18 2HB ALA 3 2HB ALA 3 -4.049 0.513 0.779
19 3HB ALA 3 3HB ALA 3 -4.082 1.926 -0.276
20 H ASP 4 H ASP 4 -7.271 -1.209 -1.597
21 HA ASP 4 HA ASP 4 -7.769 -2.656 0.749
22 1HB ASP 4 2HB ASP 4 -9.337 -2.601 -1.136
23 2HB ASP 4 1HB ASP 4 -8.193 -3.500 -2.127
24 H ASP 5 H ASP 5 -5.387 -3.074 -1.769
25 HA ASP 5 HA ASP 5 -4.639 -5.727 -1.267
26 1HB ASP 5 2HB ASP 5 -3.902 -4.493 -3.254
27 2HB ASP 5 1HB ASP 5 -2.933 -3.425 -2.243
28 H ASP 6 H ASP 6 -3.596 -6.664 0.370
29 HA ASP 6 HA ASP 6 -2.974 -5.333 2.737
30 1HB ASP 6 2HB ASP 6 -1.991 -8.007 1.722
31 2HB ASP 6 1HB ASP 6 -1.898 -7.453 3.385
32 H MET 7 H MET 7 -1.580 -3.619 2.463
33 HA MET 7 HA MET 7 1.176 -4.132 2.601
34 1HB MET 7 2HB MET 7 1.926 -3.143 0.479
35 2HB MET 7 1HB MET 7 1.000 -4.614 0.219
36 1HG MET 7 2HG MET 7 -0.966 -3.282 -0.346
37 2HG MET 7 1HG MET 7 -0.036 -1.805 -0.085
38 1HE MET 7 1HE MET 7 -1.166 -1.279 -2.204
39 2HE MET 7 2HE MET 7 -1.447 -2.611 -3.325
40 3HE MET 7 3HE MET 7 -0.270 -1.359 -3.721
41 H GLY 8 H GLY 8 2.427 -2.225 2.949
42 1HA GLY 8 2HA GLY 8 1.759 0.392 2.640
43 2HA GLY 8 1HA GLY 8 0.869 -0.081 4.078
44 H PHE 9 H PHE 9 4.143 -0.170 2.688
45 HA PHE 9 HA PHE 9 5.226 0.849 5.141
46 1HB PHE 9 2HB PHE 9 6.835 -1.059 5.406
47 2HB PHE 9 1HB PHE 9 5.157 -1.457 5.747
48 HD1 PHE 9 1HD PHE 9 7.605 -1.599 2.914
49 HD2 PHE 9 2HD PHE 9 4.277 -3.369 4.885
50 HE1 PHE 9 1HE PHE 9 7.699 -3.495 1.357
51 HE2 PHE 9 2HE PHE 9 4.369 -5.274 3.334
52 HZ PHE 9 HZ PHE 9 6.082 -5.339 1.567
53 H GLY 10 H GLY 10 7.948 -0.238 4.283
54 1HA GLY 10 2HA GLY 10 8.751 1.998 2.830
55 2HA GLY 10 1HA GLY 10 9.704 0.543 3.042
56 H LEU 11 H LEU 11 6.906 -0.441 1.550
57 HA LEU 11 HA LEU 11 8.206 -0.883 -0.922
58 1HB LEU 11 2HB LEU 11 6.430 -2.344 0.013
59 2HB LEU 11 1HB LEU 11 5.261 -1.067 -0.277
60 1HD1 LEU 11 1HD2 LEU 11 4.533 -3.418 -2.966
61 2HD1 LEU 11 2HD2 LEU 11 4.146 -3.012 -1.293
62 3HD1 LEU 11 3HD2 LEU 11 5.465 -4.127 -1.647
63 1HD2 LEU 11 1HD1 LEU 11 4.668 -1.416 -3.648
64 2HD2 LEU 11 2HD1 LEU 11 6.234 -0.608 -3.567
65 3HD2 LEU 11 3HD1 LEU 11 4.966 -0.194 -2.413
66 H PHE 12 H PHE 12 5.851 1.451 0.200
67 HA PHE 12 HA PHE 12 6.496 3.165 -2.062
68 1HB PHE 12 2HB PHE 12 4.086 3.630 -2.507
69 2HB PHE 12 1HB PHE 12 4.575 1.986 -2.911
70 HD1 PHE 12 1HD PHE 12 3.238 3.823 0.073
71 HD2 PHE 12 2HD PHE 12 3.094 0.342 -2.372
72 HE1 PHE 12 1HE PHE 12 1.419 2.929 1.460
73 HE2 PHE 12 2HE PHE 12 1.270 -0.555 -0.989
74 HZ PHE 12 HZ PHE 12 0.431 0.737 0.930
75 H ASP 13 H ASP 13 6.756 3.048 0.974
76 HA ASP 13 HA ASP 13 5.167 4.895 2.262
77 1HB ASP 13 2HB ASP 13 7.053 5.249 3.795
78 2HB ASP 13 1HB ASP 13 6.856 3.542 3.413
Start of MODEL 10
1 1H GLU 1 1HT GLU 1 -7.753 9.224 -2.034
2 2H GLU 1 2HT GLU 1 -7.184 8.779 -0.478
3 3H GLU 1 3HT GLU 1 -8.714 8.228 -1.025
4 HA GLU 1 HA GLU 1 -7.491 7.126 -2.877
5 1HB GLU 1 2HB GLU 1 -5.217 7.683 -0.960
6 2HB GLU 1 1HB GLU 1 -5.121 6.639 -2.370
7 1HG GLU 1 2HG GLU 1 -5.681 9.596 -2.414
8 2HG GLU 1 1HG GLU 1 -4.134 8.834 -2.779
9 H GLU 2 H GLU 2 -6.928 4.848 -2.575
10 HA GLU 2 HA GLU 2 -7.524 3.823 0.110
11 1HB GLU 2 2HB GLU 2 -8.759 2.804 -2.456
12 2HB GLU 2 1HB GLU 2 -8.937 2.050 -0.880
13 1HG GLU 2 2HG GLU 2 -10.910 3.277 -1.286
14 2HG GLU 2 1HG GLU 2 -9.992 4.174 -0.082
15 H ALA 3 H ALA 3 -7.268 1.231 -0.104
16 HA ALA 3 HA ALA 3 -5.301 0.234 -1.852
17 1HB ALA 3 1HB ALA 3 -4.057 0.498 0.825
18 2HB ALA 3 2HB ALA 3 -4.091 1.933 -0.198
19 3HB ALA 3 3HB ALA 3 -3.314 0.459 -0.774
20 H ASP 4 H ASP 4 -7.223 -1.215 -1.623
21 HA ASP 4 HA ASP 4 -7.762 -2.678 0.704
22 1HB ASP 4 2HB ASP 4 -9.289 -2.622 -1.215
23 2HB ASP 4 1HB ASP 4 -8.119 -3.509 -2.186
24 H ASP 5 H ASP 5 -5.324 -3.068 -1.766
25 HA ASP 5 HA ASP 5 -4.571 -5.719 -1.263
26 1HB ASP 5 2HB ASP 5 -3.800 -4.468 -3.228
27 2HB ASP 5 1HB ASP 5 -2.859 -3.401 -2.191
28 H ASP 6 H ASP 6 -3.585 -6.655 0.407
29 HA ASP 6 HA ASP 6 -3.003 -5.320 2.783
30 1HB ASP 6 2HB ASP 6 -2.019 -8.005 1.797
31 2HB ASP 6 1HB ASP 6 -1.957 -7.447 3.461
32 H MET 7 H MET 7 -1.637 -3.563 2.281
33 HA MET 7 HA MET 7 1.138 -4.120 2.546
34 1HB MET 7 2HB MET 7 1.902 -3.117 0.434
35 2HB MET 7 1HB MET 7 0.969 -4.581 0.160
36 1HG MET 7 2HG MET 7 -0.989 -3.234 -0.401
37 2HG MET 7 1HG MET 7 -0.052 -1.763 -0.125
38 1HE MET 7 1HE MET 7 -1.593 -1.857 -2.345
39 2HE MET 7 2HE MET 7 -0.947 -2.318 -3.920
40 3HE MET 7 3HE MET 7 -0.357 -0.864 -3.116
41 H GLY 8 H GLY 8 2.397 -2.225 2.920
42 1HA GLY 8 2HA GLY 8 1.743 0.401 2.628
43 2HA GLY 8 1HA GLY 8 0.848 -0.081 4.061
44 H PHE 9 H PHE 9 4.125 -0.172 2.675
45 HA PHE 9 HA PHE 9 5.209 0.820 5.138
46 1HB PHE 9 2HB PHE 9 6.809 -1.097 5.389
47 2HB PHE 9 1HB PHE 9 5.128 -1.491 5.724
48 HD1 PHE 9 1HD PHE 9 7.580 -1.619 2.892
49 HD2 PHE 9 2HD PHE 9 4.241 -3.391 4.845
50 HE1 PHE 9 1HE PHE 9 7.666 -3.502 1.320
51 HE2 PHE 9 2HE PHE 9 4.326 -5.283 3.277
52 HZ PHE 9 HZ PHE 9 6.041 -5.340 1.512
53 H GLY 10 H GLY 10 7.927 -0.273 4.273
54 1HA GLY 10 2HA GLY 10 8.742 1.972 2.840
55 2HA GLY 10 1HA GLY 10 9.689 0.512 3.042
56 H LEU 11 H LEU 11 6.887 -0.447 1.538
57 HA LEU 11 HA LEU 11 8.188 -0.874 -0.937
58 1HB LEU 11 2HB LEU 11 6.404 -2.334 -0.017
59 2HB LEU 11 1HB LEU 11 5.242 -1.050 -0.297
60 1HD1 LEU 11 1HD2 LEU 11 4.560 -3.418 -3.018
61 2HD1 LEU 11 2HD2 LEU 11 4.085 -2.953 -1.385
62 3HD1 LEU 11 3HD2 LEU 11 5.418 -4.082 -1.627
63 1HD2 LEU 11 1HD1 LEU 11 4.653 -1.367 -3.672
64 2HD2 LEU 11 2HD1 LEU 11 6.221 -0.567 -3.582
65 3HD2 LEU 11 3HD1 LEU 11 4.953 -0.157 -2.426
66 H PHE 12 H PHE 12 5.842 1.462 0.202
67 HA PHE 12 HA PHE 12 6.498 3.192 -2.044
68 1HB PHE 12 2HB PHE 12 4.090 3.671 -2.488
69 2HB PHE 12 1HB PHE 12 4.573 2.029 -2.906
70 HD1 PHE 12 1HD PHE 12 3.241 3.846 0.092
71 HD2 PHE 12 2HD PHE 12 3.083 0.387 -2.383
72 HE1 PHE 12 1HE PHE 12 1.416 2.948 1.469
73 HE2 PHE 12 2HE PHE 12 1.255 -0.515 -1.009
74 HZ PHE 12 HZ PHE 12 0.418 0.766 0.920
75 H ASP 13 H ASP 13 6.753 3.048 0.991
76 HA ASP 13 HA ASP 13 5.170 4.890 2.292
77 1HB ASP 13 2HB ASP 13 7.057 5.224 3.832
78 2HB ASP 13 1HB ASP 13 6.854 3.520 3.434
Start of MODEL 11
1 1H GLU 1 1HT GLU 1 -5.120 9.325 -2.751
2 2H GLU 1 2HT GLU 1 -4.567 8.855 -1.196
3 3H GLU 1 3HT GLU 1 -6.214 8.641 -1.623
4 HA GLU 1 HA GLU 1 -5.423 7.164 -3.434
5 1HB GLU 1 2HB GLU 1 -2.915 7.334 -1.749
6 2HB GLU 1 1HB GLU 1 -3.177 6.200 -3.067
7 1HG GLU 1 2HG GLU 1 -3.091 9.198 -3.326
8 2HG GLU 1 1HG GLU 1 -1.784 8.090 -3.738
9 H GLU 2 H GLU 2 -5.523 4.890 -3.016
10 HA GLU 2 HA GLU 2 -5.930 4.156 -0.204
11 1HB GLU 2 2HB GLU 2 -7.783 3.430 -2.483
12 2HB GLU 2 1HB GLU 2 -7.901 2.806 -0.845
13 1HG GLU 2 2HG GLU 2 -9.516 4.512 -1.053
14 2HG GLU 2 1HG GLU 2 -8.213 5.162 -0.064
15 H ALA 3 H ALA 3 -6.338 1.611 -0.184
16 HA ALA 3 HA ALA 3 -5.080 0.016 -2.130
17 1HB ALA 3 1HB ALA 3 -2.921 -0.209 -1.482
18 2HB ALA 3 2HB ALA 3 -3.284 0.081 0.219
19 3HB ALA 3 3HB ALA 3 -3.178 1.437 -0.904
20 H ASP 4 H ASP 4 -7.138 -0.965 -1.485
21 HA ASP 4 HA ASP 4 -7.675 -2.000 1.050
22 1HB ASP 4 2HB ASP 4 -9.364 -1.870 -0.724
23 2HB ASP 4 1HB ASP 4 -8.503 -3.098 -1.647
24 H ASP 5 H ASP 5 -5.597 -3.163 -1.488
25 HA ASP 5 HA ASP 5 -5.338 -5.843 -0.738
26 1HB ASP 5 2HB ASP 5 -4.461 -4.941 -2.851
27 2HB ASP 5 1HB ASP 5 -3.255 -4.017 -1.962
28 H ASP 6 H ASP 6 -4.182 -6.892 0.801
29 HA ASP 6 HA ASP 6 -3.379 -5.553 3.116
30 1HB ASP 6 2HB ASP 6 -2.671 -8.329 2.148
31 2HB ASP 6 1HB ASP 6 -2.467 -7.741 3.790
32 H MET 7 H MET 7 -1.927 -3.911 2.405
33 HA MET 7 HA MET 7 0.825 -4.765 2.443
34 1HB MET 7 2HB MET 7 1.456 -3.609 0.360
35 2HB MET 7 1HB MET 7 0.371 -4.961 0.061
36 1HG MET 7 2HG MET 7 -1.504 -3.422 -0.162
37 2HG MET 7 1HG MET 7 -0.428 -2.059 0.157
38 1HE MET 7 1HE MET 7 -2.287 -2.015 -2.065
39 2HE MET 7 2HE MET 7 -1.523 -1.958 -3.653
40 3HE MET 7 3HE MET 7 -1.050 -0.805 -2.405
41 H GLY 8 H GLY 8 2.181 -3.205 3.231
42 1HA GLY 8 2HA GLY 8 1.603 -0.424 3.196
43 2HA GLY 8 1HA GLY 8 1.150 -1.120 4.745
44 H PHE 9 H PHE 9 3.835 -0.580 2.528
45 HA PHE 9 HA PHE 9 5.626 -0.537 4.820
46 1HB PHE 9 2HB PHE 9 7.333 -1.657 3.176
47 2HB PHE 9 1HB PHE 9 6.213 -2.629 4.126
48 HD1 PHE 9 1HD PHE 9 5.922 -0.777 0.882
49 HD2 PHE 9 2HD PHE 9 5.530 -4.443 2.991
50 HE1 PHE 9 1HE PHE 9 5.067 -1.859 -1.161
51 HE2 PHE 9 2HE PHE 9 4.676 -5.535 0.958
52 HZ PHE 9 HZ PHE 9 4.445 -4.240 -1.123
53 H GLY 10 H GLY 10 7.984 -0.036 3.623
54 1HA GLY 10 2HA GLY 10 7.718 2.706 3.013
55 2HA GLY 10 1HA GLY 10 9.209 1.791 2.968
56 H LEU 11 H LEU 11 7.957 -0.073 0.943
57 HA LEU 11 HA LEU 11 9.017 1.016 -1.352
58 1HB LEU 11 2HB LEU 11 6.694 -0.894 -1.198
59 2HB LEU 11 1HB LEU 11 7.691 -0.615 -2.614
60 1HD1 LEU 11 1HD2 LEU 11 8.699 -3.361 -2.498
61 2HD1 LEU 11 2HD2 LEU 11 7.107 -3.063 -1.802
62 3HD1 LEU 11 3HD2 LEU 11 8.353 -3.862 -0.843
63 1HD2 LEU 11 1HD1 LEU 11 10.734 -2.193 -1.128
64 2HD2 LEU 11 2HD1 LEU 11 10.347 -0.477 -1.249
65 3HD2 LEU 11 3HD1 LEU 11 10.097 -1.536 -2.636
66 H PHE 12 H PHE 12 5.923 1.604 0.086
67 HA PHE 12 HA PHE 12 5.454 3.748 -1.818
68 1HB PHE 12 2HB PHE 12 3.111 3.054 -2.229
69 2HB PHE 12 1HB PHE 12 4.283 1.908 -2.875
70 HD1 PHE 12 1HD PHE 12 2.405 2.463 0.324
71 HD2 PHE 12 2HD PHE 12 3.792 -0.302 -2.599
72 HE1 PHE 12 1HE PHE 12 1.296 0.637 1.533
73 HE2 PHE 12 2HE PHE 12 2.680 -2.134 -1.395
74 HZ PHE 12 HZ PHE 12 1.431 -1.665 0.673
75 H ASP 13 H ASP 13 5.937 3.171 1.182
76 HA ASP 13 HA ASP 13 3.770 3.784 2.748
77 1HB ASP 13 2HB ASP 13 5.352 4.704 4.377
78 2HB ASP 13 1HB ASP 13 5.988 3.228 3.654
Start of MODEL 12
1 1H GLU 1 1HT GLU 1 -0.946 7.564 2.589
2 2H GLU 1 2HT GLU 1 -0.513 6.058 3.288
3 3H GLU 1 3HT GLU 1 -2.073 6.719 3.565
4 HA GLU 1 HA GLU 1 -2.394 6.616 1.110
5 1HB GLU 1 2HB GLU 1 -0.008 4.782 1.438
6 2HB GLU 1 1HB GLU 1 -0.973 4.939 -0.023
7 1HG GLU 1 2HG GLU 1 0.657 7.130 1.245
8 2HG GLU 1 1HG GLU 1 1.125 6.180 -0.164
9 H GLU 2 H GLU 2 -3.116 4.394 0.158
10 HA GLU 2 HA GLU 2 -3.922 2.582 2.321
11 1HB GLU 2 2HB GLU 2 -5.763 3.667 0.181
12 2HB GLU 2 1HB GLU 2 -6.184 2.412 1.336
13 1HG GLU 2 2HG GLU 2 -7.129 4.423 2.127
14 2HG GLU 2 1HG GLU 2 -5.748 4.067 3.161
15 H ALA 3 H ALA 3 -5.232 0.665 1.105
16 HA ALA 3 HA ALA 3 -4.358 -0.108 -1.456
17 1HB ALA 3 1HB ALA 3 -2.239 -0.236 0.114
18 2HB ALA 3 2HB ALA 3 -2.541 -1.454 -1.126
19 3HB ALA 3 3HB ALA 3 -2.953 -1.786 0.556
20 H ASP 4 H ASP 4 -6.212 -1.086 -1.958
21 HA ASP 4 HA ASP 4 -7.865 -2.470 -0.149
22 1HB ASP 4 2HB ASP 4 -8.716 -1.488 -2.226
23 2HB ASP 4 1HB ASP 4 -7.769 -2.635 -3.169
24 H ASP 5 H ASP 5 -5.010 -3.435 -1.760
25 HA ASP 5 HA ASP 5 -5.654 -6.279 -1.501
26 1HB ASP 5 2HB ASP 5 -4.637 -5.486 -3.618
27 2HB ASP 5 1HB ASP 5 -3.220 -4.954 -2.720
28 H ASP 6 H ASP 6 -5.315 -4.698 0.864
29 HA ASP 6 HA ASP 6 -4.149 -4.574 2.826
30 1HB ASP 6 2HB ASP 6 -5.029 -6.848 2.915
31 2HB ASP 6 1HB ASP 6 -3.621 -7.446 2.044
32 H MET 7 H MET 7 -2.511 -3.108 2.349
33 HA MET 7 HA MET 7 0.121 -3.986 2.701
34 1HB MET 7 2HB MET 7 1.091 -3.476 0.495
35 2HB MET 7 1HB MET 7 -0.036 -4.824 0.421
36 1HG MET 7 2HG MET 7 -1.759 -3.339 -0.466
37 2HG MET 7 1HG MET 7 -0.628 -1.986 -0.392
38 1HE MET 7 1HE MET 7 -2.230 -2.668 -2.896
39 2HE MET 7 2HE MET 7 -1.089 -2.794 -4.236
40 3HE MET 7 3HE MET 7 -0.966 -1.454 -3.096
41 H GLY 8 H GLY 8 1.368 -2.320 3.365
42 1HA GLY 8 2HA GLY 8 1.053 0.358 2.443
43 2HA GLY 8 1HA GLY 8 0.291 0.139 4.012
44 H PHE 9 H PHE 9 3.344 -0.041 2.265
45 HA PHE 9 HA PHE 9 4.722 0.563 4.756
46 1HB PHE 9 2HB PHE 9 6.595 -0.990 3.775
47 2HB PHE 9 1HB PHE 9 5.270 -1.649 4.730
48 HD1 PHE 9 1HD PHE 9 5.633 -0.704 1.123
49 HD2 PHE 9 2HD PHE 9 4.659 -3.680 3.993
50 HE1 PHE 9 1HE PHE 9 5.044 -2.261 -0.694
51 HE2 PHE 9 2HE PHE 9 4.068 -5.246 2.186
52 HZ PHE 9 HZ PHE 9 4.262 -4.533 -0.163
53 H GLY 10 H GLY 10 7.270 0.688 3.941
54 1HA GLY 10 2HA GLY 10 7.303 3.169 2.586
55 2HA GLY 10 1HA GLY 10 8.711 2.264 3.094
56 H LEU 11 H LEU 11 7.610 -0.058 1.400
57 HA LEU 11 HA LEU 11 9.217 0.309 -0.823
58 1HB LEU 11 2HB LEU 11 8.303 -1.865 -0.047
59 2HB LEU 11 1HB LEU 11 6.735 -1.393 -0.673
60 1HD1 LEU 11 1HD2 LEU 11 8.531 -3.870 -2.953
61 2HD1 LEU 11 2HD2 LEU 11 6.931 -3.669 -2.241
62 3HD1 LEU 11 3HD2 LEU 11 8.348 -3.807 -1.201
63 1HD2 LEU 11 1HD1 LEU 11 7.026 -2.075 -3.990
64 2HD2 LEU 11 2HD1 LEU 11 7.924 -0.567 -3.823
65 3HD2 LEU 11 3HD1 LEU 11 6.451 -0.825 -2.887
66 H PHE 12 H PHE 12 5.915 1.260 -0.284
67 HA PHE 12 HA PHE 12 6.011 2.871 -2.712
68 1HB PHE 12 2HB PHE 12 3.729 2.172 -3.377
69 2HB PHE 12 1HB PHE 12 4.896 0.854 -3.460
70 HD1 PHE 12 1HD PHE 12 2.528 2.324 -0.951
71 HD2 PHE 12 2HD PHE 12 4.182 -1.180 -2.715
72 HE1 PHE 12 1HE PHE 12 1.072 0.934 0.454
73 HE2 PHE 12 2HE PHE 12 2.722 -2.575 -1.313
74 HZ PHE 12 HZ PHE 12 1.166 -1.518 0.274
75 H ASP 13 H ASP 13 5.887 3.107 0.374
76 HA ASP 13 HA ASP 13 3.549 4.191 1.288
77 1HB ASP 13 2HB ASP 13 4.893 5.504 2.862
78 2HB ASP 13 1HB ASP 13 5.538 3.872 2.697
Start of MODEL 13
1 1H GLU 1 1HT GLU 1 -1.166 7.692 2.522
2 2H GLU 1 2HT GLU 1 -0.751 6.293 3.426
3 3H GLU 1 3HT GLU 1 -2.369 6.866 3.420
4 HA GLU 1 HA GLU 1 -2.317 6.512 0.960
5 1HB GLU 1 2HB GLU 1 0.062 4.855 1.832
6 2HB GLU 1 1HB GLU 1 -0.677 4.809 0.237
7 1HG GLU 1 2HG GLU 1 0.656 7.204 1.482
8 2HG GLU 1 1HG GLU 1 1.368 6.142 0.268
9 H GLU 2 H GLU 2 -3.117 4.397 0.160
10 HA GLU 2 HA GLU 2 -3.924 2.581 2.321
11 1HB GLU 2 2HB GLU 2 -5.761 3.669 0.178
12 2HB GLU 2 1HB GLU 2 -6.185 2.414 1.333
13 1HG GLU 2 2HG GLU 2 -7.129 4.428 2.123
14 2HG GLU 2 1HG GLU 2 -5.749 4.069 3.158
15 H ALA 3 H ALA 3 -5.232 0.665 1.104
16 HA ALA 3 HA ALA 3 -4.358 -0.108 -1.456
17 1HB ALA 3 1HB ALA 3 -2.953 -1.786 0.556
18 2HB ALA 3 2HB ALA 3 -2.239 -0.236 0.113
19 3HB ALA 3 3HB ALA 3 -2.541 -1.454 -1.126
20 H ASP 4 H ASP 4 -6.211 -1.086 -1.958
21 HA ASP 4 HA ASP 4 -7.865 -2.470 -0.149
22 1HB ASP 4 2HB ASP 4 -8.716 -1.489 -2.227
23 2HB ASP 4 1HB ASP 4 -7.769 -2.635 -3.168
24 H ASP 5 H ASP 5 -5.010 -3.435 -1.759
25 HA ASP 5 HA ASP 5 -5.654 -6.279 -1.500
26 1HB ASP 5 2HB ASP 5 -4.637 -5.486 -3.617
27 2HB ASP 5 1HB ASP 5 -3.220 -4.954 -2.720
28 H ASP 6 H ASP 6 -5.314 -4.698 0.864
29 HA ASP 6 HA ASP 6 -4.149 -4.574 2.826
30 1HB ASP 6 2HB ASP 6 -5.029 -6.848 2.916
31 2HB ASP 6 1HB ASP 6 -3.622 -7.446 2.044
32 H MET 7 H MET 7 -2.512 -3.108 2.348
33 HA MET 7 HA MET 7 0.121 -3.986 2.701
34 1HB MET 7 2HB MET 7 1.090 -3.475 0.495
35 2HB MET 7 1HB MET 7 -0.035 -4.824 0.421
36 1HG MET 7 2HG MET 7 -1.760 -3.339 -0.465
37 2HG MET 7 1HG MET 7 -0.628 -1.986 -0.392
38 1HE MET 7 1HE MET 7 -2.231 -2.679 -2.906
39 2HE MET 7 2HE MET 7 -1.080 -2.785 -4.238
40 3HE MET 7 3HE MET 7 -0.976 -1.453 -3.085
41 H GLY 8 H GLY 8 1.368 -2.321 3.366
42 1HA GLY 8 2HA GLY 8 1.053 0.359 2.444
43 2HA GLY 8 1HA GLY 8 0.291 0.140 4.012
44 H PHE 9 H PHE 9 3.344 -0.041 2.265
45 HA PHE 9 HA PHE 9 4.722 0.563 4.756
46 1HB PHE 9 2HB PHE 9 6.594 -0.990 3.774
47 2HB PHE 9 1HB PHE 9 5.271 -1.649 4.729
48 HD1 PHE 9 1HD PHE 9 5.633 -0.704 1.123
49 HD2 PHE 9 2HD PHE 9 4.659 -3.681 3.993
50 HE1 PHE 9 1HE PHE 9 5.043 -2.261 -0.695
51 HE2 PHE 9 2HE PHE 9 4.068 -5.245 2.186
52 HZ PHE 9 HZ PHE 9 4.262 -4.533 -0.163
53 H GLY 10 H GLY 10 7.270 0.688 3.941
54 1HA GLY 10 2HA GLY 10 7.302 3.169 2.585
55 2HA GLY 10 1HA GLY 10 8.711 2.264 3.093
56 H LEU 11 H LEU 11 7.610 -0.058 1.400
57 HA LEU 11 HA LEU 11 9.217 0.308 -0.822
58 1HB LEU 11 2HB LEU 11 8.303 -1.865 -0.047
59 2HB LEU 11 1HB LEU 11 6.734 -1.392 -0.672
60 1HD1 LEU 11 1HD2 LEU 11 8.387 -3.855 -3.042
61 2HD1 LEU 11 2HD2 LEU 11 6.927 -3.664 -2.071
62 3HD1 LEU 11 3HD2 LEU 11 8.495 -3.826 -1.282
63 1HD2 LEU 11 1HD1 LEU 11 7.026 -2.075 -3.989
64 2HD2 LEU 11 2HD1 LEU 11 7.923 -0.567 -3.824
65 3HD2 LEU 11 3HD1 LEU 11 6.451 -0.826 -2.887
66 H PHE 12 H PHE 12 5.914 1.260 -0.284
67 HA PHE 12 HA PHE 12 6.011 2.871 -2.712
68 1HB PHE 12 2HB PHE 12 3.729 2.172 -3.377
69 2HB PHE 12 1HB PHE 12 4.896 0.854 -3.461
70 HD1 PHE 12 1HD PHE 12 2.529 2.324 -0.951
71 HD2 PHE 12 2HD PHE 12 4.182 -1.180 -2.715
72 HE1 PHE 12 1HE PHE 12 1.072 0.934 0.454
73 HE2 PHE 12 2HE PHE 12 2.722 -2.575 -1.313
74 HZ PHE 12 HZ PHE 12 1.166 -1.518 0.274
75 H ASP 13 H ASP 13 5.886 3.107 0.373
76 HA ASP 13 HA ASP 13 3.549 4.190 1.287
77 1HB ASP 13 2HB ASP 13 4.892 5.504 2.862
78 2HB ASP 13 1HB ASP 13 5.538 3.872 2.697
Start of MODEL 14
1 1H GLU 1 1HT GLU 1 -3.290 8.459 -2.786
2 2H GLU 1 2HT GLU 1 -2.559 6.961 -2.378
3 3H GLU 1 3HT GLU 1 -3.588 7.750 -1.255
4 HA GLU 1 HA GLU 1 -5.382 7.540 -2.928
5 1HB GLU 1 2HB GLU 1 -3.354 5.617 -4.090
6 2HB GLU 1 1HB GLU 1 -5.025 5.766 -4.612
7 1HG GLU 1 2HG GLU 1 -2.936 7.926 -4.789
8 2HG GLU 1 1HG GLU 1 -3.482 6.908 -6.120
9 H GLU 2 H GLU 2 -6.363 5.112 -3.245
10 HA GLU 2 HA GLU 2 -6.419 4.067 -0.546
11 1HB GLU 2 2HB GLU 2 -8.001 3.264 -2.995
12 2HB GLU 2 1HB GLU 2 -8.270 2.649 -1.372
13 1HG GLU 2 2HG GLU 2 -9.907 4.301 -1.766
14 2HG GLU 2 1HG GLU 2 -8.734 5.001 -0.655
15 H ALA 3 H ALA 3 -6.638 1.562 -0.413
16 HA ALA 3 HA ALA 3 -5.243 -0.076 -2.225
17 1HB ALA 3 1HB ALA 3 -3.290 -0.446 -0.462
18 2HB ALA 3 2HB ALA 3 -3.618 1.255 -0.132
19 3HB ALA 3 3HB ALA 3 -3.172 0.742 -1.759
20 H ASP 4 H ASP 4 -7.299 -1.084 -1.563
21 HA ASP 4 HA ASP 4 -7.833 -2.020 1.012
22 1HB ASP 4 2HB ASP 4 -9.508 -2.016 -0.781
23 2HB ASP 4 1HB ASP 4 -8.602 -3.256 -1.643
24 H ASP 5 H ASP 5 -5.714 -3.242 -1.468
25 HA ASP 5 HA ASP 5 -5.379 -5.873 -0.579
26 1HB ASP 5 2HB ASP 5 -4.538 -5.062 -2.743
27 2HB ASP 5 1HB ASP 5 -3.356 -4.057 -1.912
28 H ASP 6 H ASP 6 -4.193 -6.801 1.012
29 HA ASP 6 HA ASP 6 -3.392 -5.289 3.230
30 1HB ASP 6 2HB ASP 6 -2.702 -8.132 2.467
31 2HB ASP 6 1HB ASP 6 -2.480 -7.424 4.058
32 H MET 7 H MET 7 -1.958 -3.711 2.286
33 HA MET 7 HA MET 7 0.800 -4.669 2.230
34 1HB MET 7 2HB MET 7 1.324 -3.327 0.232
35 2HB MET 7 1HB MET 7 0.166 -4.603 -0.118
36 1HG MET 7 2HG MET 7 -1.654 -2.987 -0.041
37 2HG MET 7 1HG MET 7 -0.503 -1.702 0.330
38 1HE MET 7 1HE MET 7 -2.595 -1.525 -2.008
39 2HE MET 7 2HE MET 7 -1.633 -0.930 -3.360
40 3HE MET 7 3HE MET 7 -1.412 -0.243 -1.750
41 H GLY 8 H GLY 8 2.272 -3.243 3.063
42 1HA GLY 8 2HA GLY 8 1.820 -0.458 3.347
43 2HA GLY 8 1HA GLY 8 1.425 -1.285 4.845
44 H PHE 9 H PHE 9 4.000 -0.631 2.534
45 HA PHE 9 HA PHE 9 5.920 -0.910 4.703
46 1HB PHE 9 2HB PHE 9 7.476 -1.891 2.832
47 2HB PHE 9 1HB PHE 9 6.380 -2.925 3.743
48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753
49 HD2 PHE 9 2HD PHE 9 5.559 -4.578 2.464
50 HE1 PHE 9 1HE PHE 9 4.924 -1.526 -1.333
51 HE2 PHE 9 2HE PHE 9 4.532 -5.405 0.386
52 HZ PHE 9 HZ PHE 9 4.214 -3.874 -1.517
53 H GLY 10 H GLY 10 8.223 -0.356 3.449
54 1HA GLY 10 2HA GLY 10 8.031 2.447 3.144
55 2HA GLY 10 1HA GLY 10 9.486 1.495 2.941
56 H LEU 11 H LEU 11 7.954 -0.089 0.800
57 HA LEU 11 HA LEU 11 9.009 1.175 -1.425
58 1HB LEU 11 2HB LEU 11 8.244 -1.185 -1.335
59 2HB LEU 11 1HB LEU 11 6.586 -0.614 -1.365
60 1HD1 LEU 11 1HD2 LEU 11 7.968 -2.028 -4.632
61 2HD1 LEU 11 2HD2 LEU 11 6.350 -2.044 -3.929
62 3HD1 LEU 11 3HD2 LEU 11 7.734 -2.570 -2.971
63 1HD2 LEU 11 1HD1 LEU 11 6.075 -0.003 -4.668
64 2HD2 LEU 11 2HD1 LEU 11 7.026 1.391 -4.159
65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.712 -3.080
66 H PHE 12 H PHE 12 5.951 1.651 0.162
67 HA PHE 12 HA PHE 12 5.520 4.044 -1.448
68 1HB PHE 12 2HB PHE 12 3.125 3.499 -1.776
69 2HB PHE 12 1HB PHE 12 4.199 2.377 -2.608
70 HD1 PHE 12 1HD PHE 12 2.544 2.677 0.742
71 HD2 PHE 12 2HD PHE 12 3.622 0.172 -2.526
72 HE1 PHE 12 1HE PHE 12 1.425 0.782 1.831
73 HE2 PHE 12 2HE PHE 12 2.499 -1.726 -1.442
74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.738
75 H ASP 13 H ASP 13 6.134 3.122 1.447
76 HA ASP 13 HA ASP 13 4.110 3.659 3.207
77 1HB ASP 13 2HB ASP 13 5.826 4.375 4.804
78 2HB ASP 13 1HB ASP 13 6.362 2.957 3.902
Start of MODEL 15
1 1H GLU 1 1HT GLU 1 -5.058 9.275 -2.651
2 2H GLU 1 2HT GLU 1 -4.320 8.480 -1.322
3 3H GLU 1 3HT GLU 1 -6.029 8.630 -1.395
4 HA GLU 1 HA GLU 1 -5.883 7.351 -3.525
5 1HB GLU 1 2HB GLU 1 -3.187 6.738 -2.294
6 2HB GLU 1 1HB GLU 1 -3.885 5.903 -3.674
7 1HG GLU 1 2HG GLU 1 -3.158 8.823 -3.577
8 2HG GLU 1 1HG GLU 1 -2.211 7.549 -4.342
9 H GLU 2 H GLU 2 -5.703 4.812 -3.282
10 HA GLU 2 HA GLU 2 -6.443 4.048 -0.546
11 1HB GLU 2 2HB GLU 2 -7.970 3.290 -3.044
12 2HB GLU 2 1HB GLU 2 -8.281 2.653 -1.436
13 1HG GLU 2 2HG GLU 2 -9.901 4.317 -1.844
14 2HG GLU 2 1HG GLU 2 -8.751 4.995 -0.694
15 H ALA 3 H ALA 3 -6.638 1.561 -0.418
16 HA ALA 3 HA ALA 3 -5.243 -0.078 -2.228
17 1HB ALA 3 1HB ALA 3 -3.618 1.254 -0.135
18 2HB ALA 3 2HB ALA 3 -3.173 0.740 -1.763
19 3HB ALA 3 3HB ALA 3 -3.291 -0.447 -0.465
20 H ASP 4 H ASP 4 -7.299 -1.086 -1.566
21 HA ASP 4 HA ASP 4 -7.834 -2.021 1.010
22 1HB ASP 4 2HB ASP 4 -9.509 -2.018 -0.782
23 2HB ASP 4 1HB ASP 4 -8.603 -3.259 -1.644
24 H ASP 5 H ASP 5 -5.714 -3.243 -1.469
25 HA ASP 5 HA ASP 5 -5.379 -5.873 -0.579
26 1HB ASP 5 2HB ASP 5 -4.537 -5.063 -2.743
27 2HB ASP 5 1HB ASP 5 -3.355 -4.059 -1.913
28 H ASP 6 H ASP 6 -4.193 -6.801 1.013
29 HA ASP 6 HA ASP 6 -3.393 -5.288 3.230
30 1HB ASP 6 2HB ASP 6 -2.702 -8.131 2.469
31 2HB ASP 6 1HB ASP 6 -2.481 -7.423 4.059
32 H MET 7 H MET 7 -1.958 -3.710 2.287
33 HA MET 7 HA MET 7 0.799 -4.669 2.231
34 1HB MET 7 2HB MET 7 1.323 -3.327 0.232
35 2HB MET 7 1HB MET 7 0.166 -4.603 -0.117
36 1HG MET 7 2HG MET 7 -1.655 -2.988 -0.041
37 2HG MET 7 1HG MET 7 -0.504 -1.703 0.330
38 1HE MET 7 1HE MET 7 -2.594 -1.524 -2.001
39 2HE MET 7 2HE MET 7 -1.638 -0.939 -3.362
40 3HE MET 7 3HE MET 7 -1.407 -0.242 -1.758
41 H GLY 8 H GLY 8 2.271 -3.242 3.064
42 1HA GLY 8 2HA GLY 8 1.819 -0.456 3.346
43 2HA GLY 8 1HA GLY 8 1.423 -1.283 4.845
44 H PHE 9 H PHE 9 3.999 -0.629 2.533
45 HA PHE 9 HA PHE 9 5.918 -0.907 4.703
46 1HB PHE 9 2HB PHE 9 7.476 -1.889 2.833
47 2HB PHE 9 1HB PHE 9 6.379 -2.924 3.745
48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753
49 HD2 PHE 9 2HD PHE 9 5.558 -4.576 2.466
50 HE1 PHE 9 1HE PHE 9 4.924 -1.527 -1.332
51 HE2 PHE 9 2HE PHE 9 4.531 -5.405 0.388
52 HZ PHE 9 HZ PHE 9 4.213 -3.876 -1.516
53 H GLY 10 H GLY 10 8.221 -0.354 3.449
54 1HA GLY 10 2HA GLY 10 8.030 2.448 3.142
55 2HA GLY 10 1HA GLY 10 9.484 1.496 2.941
56 H LEU 11 H LEU 11 7.954 -0.088 0.800
57 HA LEU 11 HA LEU 11 9.009 1.174 -1.425
58 1HB LEU 11 2HB LEU 11 8.244 -1.186 -1.334
59 2HB LEU 11 1HB LEU 11 6.586 -0.616 -1.365
60 1HD1 LEU 11 1HD2 LEU 11 7.880 -1.998 -4.684
61 2HD1 LEU 11 2HD2 LEU 11 6.342 -2.079 -3.827
62 3HD1 LEU 11 3HD2 LEU 11 7.830 -2.569 -3.017
63 1HD2 LEU 11 1HD1 LEU 11 6.076 -0.006 -4.669
64 2HD2 LEU 11 2HD1 LEU 11 7.026 1.389 -4.160
65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.710 -3.080
66 H PHE 12 H PHE 12 5.950 1.650 0.162
67 HA PHE 12 HA PHE 12 5.520 4.044 -1.450
68 1HB PHE 12 2HB PHE 12 3.125 3.497 -1.778
69 2HB PHE 12 1HB PHE 12 4.200 2.376 -2.611
70 HD1 PHE 12 1HD PHE 12 2.542 2.676 0.740
71 HD2 PHE 12 2HD PHE 12 3.622 0.171 -2.527
72 HE1 PHE 12 1HE PHE 12 1.423 0.783 1.829
73 HE2 PHE 12 2HE PHE 12 2.498 -1.727 -1.443
74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.738
75 H ASP 13 H ASP 13 6.133 3.123 1.445
76 HA ASP 13 HA ASP 13 4.108 3.660 3.203
77 1HB ASP 13 2HB ASP 13 5.825 4.377 4.801
78 2HB ASP 13 1HB ASP 13 6.359 2.960 3.901
Start of MODEL 16
1 1H GLU 1 1HT GLU 1 -5.388 9.262 -2.940
2 2H GLU 1 2HT GLU 1 -5.001 8.742 -1.351
3 3H GLU 1 3HT GLU 1 -6.603 8.576 -1.944
4 HA GLU 1 HA GLU 1 -5.694 7.115 -3.694
5 1HB GLU 1 2HB GLU 1 -3.308 7.225 -1.835
6 2HB GLU 1 1HB GLU 1 -3.489 6.120 -3.189
7 1HG GLU 1 2HG GLU 1 -3.355 9.120 -3.383
8 2HG GLU 1 1HG GLU 1 -2.033 8.005 -3.724
9 H GLU 2 H GLU 2 -5.723 4.801 -3.296
10 HA GLU 2 HA GLU 2 -6.432 4.058 -0.547
11 1HB GLU 2 2HB GLU 2 -7.986 3.276 -3.020
12 2HB GLU 2 1HB GLU 2 -8.275 2.650 -1.405
13 1HG GLU 2 2HG GLU 2 -9.905 4.308 -1.806
14 2HG GLU 2 1HG GLU 2 -8.744 4.997 -0.675
15 H ALA 3 H ALA 3 -6.639 1.562 -0.416
16 HA ALA 3 HA ALA 3 -5.243 -0.077 -2.227
17 1HB ALA 3 1HB ALA 3 -3.291 -0.447 -0.463
18 2HB ALA 3 2HB ALA 3 -3.618 1.254 -0.133
19 3HB ALA 3 3HB ALA 3 -3.172 0.742 -1.761
20 H ASP 4 H ASP 4 -7.299 -1.085 -1.565
21 HA ASP 4 HA ASP 4 -7.834 -2.020 1.010
22 1HB ASP 4 2HB ASP 4 -9.509 -2.017 -0.782
23 2HB ASP 4 1HB ASP 4 -8.602 -3.258 -1.643
24 H ASP 5 H ASP 5 -5.714 -3.242 -1.469
25 HA ASP 5 HA ASP 5 -5.378 -5.873 -0.579
26 1HB ASP 5 2HB ASP 5 -4.537 -5.063 -2.743
27 2HB ASP 5 1HB ASP 5 -3.355 -4.058 -1.912
28 H ASP 6 H ASP 6 -4.193 -6.801 1.012
29 HA ASP 6 HA ASP 6 -3.392 -5.288 3.230
30 1HB ASP 6 2HB ASP 6 -2.701 -8.131 2.468
31 2HB ASP 6 1HB ASP 6 -2.481 -7.423 4.059
32 H MET 7 H MET 7 -1.958 -3.711 2.287
33 HA MET 7 HA MET 7 0.800 -4.669 2.230
34 1HB MET 7 2HB MET 7 1.324 -3.326 0.232
35 2HB MET 7 1HB MET 7 0.166 -4.603 -0.117
36 1HG MET 7 2HG MET 7 -1.655 -2.987 -0.040
37 2HG MET 7 1HG MET 7 -0.503 -1.701 0.331
38 1HE MET 7 1HE MET 7 -2.601 -1.548 -2.061
39 2HE MET 7 2HE MET 7 -1.593 -0.889 -3.351
40 3HE MET 7 3HE MET 7 -1.444 -0.265 -1.708
41 H GLY 8 H GLY 8 2.272 -3.243 3.064
42 1HA GLY 8 2HA GLY 8 1.820 -0.458 3.347
43 2HA GLY 8 1HA GLY 8 1.424 -1.284 4.846
44 H PHE 9 H PHE 9 3.999 -0.630 2.534
45 HA PHE 9 HA PHE 9 5.919 -0.909 4.703
46 1HB PHE 9 2HB PHE 9 7.475 -1.890 2.833
47 2HB PHE 9 1HB PHE 9 6.381 -2.925 3.744
48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753
49 HD2 PHE 9 2HD PHE 9 5.558 -4.577 2.464
50 HE1 PHE 9 1HE PHE 9 4.923 -1.526 -1.333
51 HE2 PHE 9 2HE PHE 9 4.531 -5.404 0.387
52 HZ PHE 9 HZ PHE 9 4.214 -3.875 -1.517
53 H GLY 10 H GLY 10 8.223 -0.355 3.449
54 1HA GLY 10 2HA GLY 10 8.031 2.447 3.143
55 2HA GLY 10 1HA GLY 10 9.485 1.495 2.942
56 H LEU 11 H LEU 11 7.954 -0.088 0.800
57 HA LEU 11 HA LEU 11 9.009 1.174 -1.425
58 1HB LEU 11 2HB LEU 11 8.243 -1.185 -1.335
59 2HB LEU 11 1HB LEU 11 6.586 -0.615 -1.366
60 1HD1 LEU 11 1HD2 LEU 11 7.967 -2.028 -4.632
61 2HD1 LEU 11 2HD2 LEU 11 6.350 -2.044 -3.929
62 3HD1 LEU 11 3HD2 LEU 11 7.734 -2.571 -2.971
63 1HD2 LEU 11 1HD1 LEU 11 6.075 -0.004 -4.668
64 2HD2 LEU 11 2HD1 LEU 11 7.025 1.390 -4.160
65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.711 -3.079
66 H PHE 12 H PHE 12 5.951 1.651 0.162
67 HA PHE 12 HA PHE 12 5.520 4.044 -1.449
68 1HB PHE 12 2HB PHE 12 3.125 3.499 -1.776
69 2HB PHE 12 1HB PHE 12 4.199 2.377 -2.609
70 HD1 PHE 12 1HD PHE 12 2.544 2.677 0.742
71 HD2 PHE 12 2HD PHE 12 3.622 0.172 -2.526
72 HE1 PHE 12 1HE PHE 12 1.424 0.782 1.830
73 HE2 PHE 12 2HE PHE 12 2.499 -1.727 -1.442
74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.739
75 H ASP 13 H ASP 13 6.133 3.123 1.446
76 HA ASP 13 HA ASP 13 4.109 3.659 3.205
77 1HB ASP 13 2HB ASP 13 5.825 4.376 4.803
78 2HB ASP 13 1HB ASP 13 6.361 2.958 3.902
Start of MODEL 17
1 1H GLU 1 1HT GLU 1 -5.301 9.282 -2.788
2 2H GLU 1 2HT GLU 1 -4.717 8.678 -1.292
3 3H GLU 1 3HT GLU 1 -6.392 8.604 -1.654
4 HA GLU 1 HA GLU 1 -5.744 7.212 -3.610
5 1HB GLU 1 2HB GLU 1 -3.236 7.041 -1.925
6 2HB GLU 1 1HB GLU 1 -3.592 6.032 -3.319
7 1HG GLU 1 2HG GLU 1 -3.242 9.020 -3.364
8 2HG GLU 1 1HG GLU 1 -2.037 7.834 -3.858
9 H GLU 2 H GLU 2 -5.686 4.815 -3.273
10 HA GLU 2 HA GLU 2 -6.447 4.044 -0.545
11 1HB GLU 2 2HB GLU 2 -7.965 3.296 -3.052
12 2HB GLU 2 1HB GLU 2 -8.281 2.654 -1.448
13 1HG GLU 2 2HG GLU 2 -9.899 4.321 -1.856
14 2HG GLU 2 1HG GLU 2 -8.754 4.994 -0.700
15 H ALA 3 H ALA 3 -6.638 1.561 -0.418
16 HA ALA 3 HA ALA 3 -5.244 -0.079 -2.229
17 1HB ALA 3 1HB ALA 3 -3.618 1.254 -0.136
18 2HB ALA 3 2HB ALA 3 -3.173 0.739 -1.764
19 3HB ALA 3 3HB ALA 3 -3.291 -0.448 -0.465
20 H ASP 4 H ASP 4 -7.300 -1.086 -1.566
21 HA ASP 4 HA ASP 4 -7.835 -2.020 1.009
22 1HB ASP 4 2HB ASP 4 -9.508 -2.019 -0.784
23 2HB ASP 4 1HB ASP 4 -8.603 -3.260 -1.645
24 H ASP 5 H ASP 5 -5.714 -3.244 -1.470
25 HA ASP 5 HA ASP 5 -5.378 -5.874 -0.579
26 1HB ASP 5 2HB ASP 5 -4.537 -5.065 -2.744
27 2HB ASP 5 1HB ASP 5 -3.355 -4.059 -1.913
28 H ASP 6 H ASP 6 -4.194 -6.802 1.012
29 HA ASP 6 HA ASP 6 -3.393 -5.287 3.230
30 1HB ASP 6 2HB ASP 6 -2.703 -8.132 2.469
31 2HB ASP 6 1HB ASP 6 -2.482 -7.423 4.060
32 H MET 7 H MET 7 -1.958 -3.710 2.286
33 HA MET 7 HA MET 7 0.799 -4.668 2.232
34 1HB MET 7 2HB MET 7 1.324 -3.327 0.233
35 2HB MET 7 1HB MET 7 0.167 -4.604 -0.116
36 1HG MET 7 2HG MET 7 -1.655 -2.989 -0.042
37 2HG MET 7 1HG MET 7 -0.503 -1.703 0.329
38 1HE MET 7 1HE MET 7 -2.599 -1.540 -2.038
39 2HE MET 7 2HE MET 7 -1.611 -0.912 -3.357
40 3HE MET 7 3HE MET 7 -1.429 -0.256 -1.730
41 H GLY 8 H GLY 8 2.271 -3.242 3.064
42 1HA GLY 8 2HA GLY 8 1.819 -0.456 3.346
43 2HA GLY 8 1HA GLY 8 1.422 -1.282 4.845
44 H PHE 9 H PHE 9 3.999 -0.630 2.533
45 HA PHE 9 HA PHE 9 5.918 -0.907 4.703
46 1HB PHE 9 2HB PHE 9 7.475 -1.888 2.834
47 2HB PHE 9 1HB PHE 9 6.379 -2.923 3.745
48 HD1 PHE 9 1HD PHE 9 5.951 -0.709 0.753
49 HD2 PHE 9 2HD PHE 9 5.558 -4.575 2.467
50 HE1 PHE 9 1HE PHE 9 4.924 -1.527 -1.333
51 HE2 PHE 9 2HE PHE 9 4.531 -5.405 0.389
52 HZ PHE 9 HZ PHE 9 4.214 -3.876 -1.515
53 H GLY 10 H GLY 10 8.221 -0.353 3.449
54 1HA GLY 10 2HA GLY 10 8.030 2.448 3.142
55 2HA GLY 10 1HA GLY 10 9.484 1.497 2.942
56 H LEU 11 H LEU 11 7.953 -0.088 0.801
57 HA LEU 11 HA LEU 11 9.009 1.173 -1.425
58 1HB LEU 11 2HB LEU 11 8.243 -1.186 -1.334
59 2HB LEU 11 1HB LEU 11 6.586 -0.616 -1.365
60 1HD1 LEU 11 1HD2 LEU 11 7.937 -2.019 -4.650
61 2HD1 LEU 11 2HD2 LEU 11 6.346 -2.058 -3.891
62 3HD1 LEU 11 3HD2 LEU 11 7.769 -2.572 -2.984
63 1HD2 LEU 11 1HD1 LEU 11 6.075 -0.007 -4.669
64 2HD2 LEU 11 2HD1 LEU 11 7.026 1.388 -4.160
65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.709 -3.080
66 H PHE 12 H PHE 12 5.950 1.650 0.160
67 HA PHE 12 HA PHE 12 5.520 4.043 -1.452
68 1HB PHE 12 2HB PHE 12 3.124 3.497 -1.780
69 2HB PHE 12 1HB PHE 12 4.200 2.375 -2.612
70 HD1 PHE 12 1HD PHE 12 2.543 2.677 0.739
71 HD2 PHE 12 2HD PHE 12 3.622 0.170 -2.528
72 HE1 PHE 12 1HE PHE 12 1.423 0.782 1.829
73 HE2 PHE 12 2HE PHE 12 2.498 -1.729 -1.443
74 HZ PHE 12 HZ PHE 12 1.398 -1.423 0.738
75 H ASP 13 H ASP 13 6.133 3.124 1.444
76 HA ASP 13 HA ASP 13 4.108 3.660 3.203
77 1HB ASP 13 2HB ASP 13 5.823 4.379 4.799
78 2HB ASP 13 1HB ASP 13 6.359 2.961 3.900
Start of MODEL 18
1 1H GLU 1 1HT GLU 1 -5.296 9.281 -2.776
2 2H GLU 1 2HT GLU 1 -4.695 8.675 -1.287
3 3H GLU 1 3HT GLU 1 -6.374 8.599 -1.632
4 HA GLU 1 HA GLU 1 -5.736 7.216 -3.600
5 1HB GLU 1 2HB GLU 1 -3.224 7.034 -1.920
6 2HB GLU 1 1HB GLU 1 -3.586 6.028 -3.317
7 1HG GLU 1 2HG GLU 1 -3.229 9.017 -3.355
8 2HG GLU 1 1HG GLU 1 -2.027 7.829 -3.854
9 H GLU 2 H GLU 2 -5.688 4.818 -3.271
10 HA GLU 2 HA GLU 2 -6.447 4.044 -0.544
11 1HB GLU 2 2HB GLU 2 -7.961 3.300 -3.054
12 2HB GLU 2 1HB GLU 2 -8.282 2.654 -1.451
13 1HG GLU 2 2HG GLU 2 -9.898 4.324 -1.860
14 2HG GLU 2 1HG GLU 2 -8.753 4.994 -0.701
15 H ALA 3 H ALA 3 -6.638 1.560 -0.417
16 HA ALA 3 HA ALA 3 -5.244 -0.079 -2.229
17 1HB ALA 3 1HB ALA 3 -3.291 -0.449 -0.466
18 2HB ALA 3 2HB ALA 3 -3.617 1.253 -0.138
19 3HB ALA 3 3HB ALA 3 -3.172 0.738 -1.765
20 H ASP 4 H ASP 4 -7.300 -1.086 -1.567
21 HA ASP 4 HA ASP 4 -7.834 -2.021 1.009
22 1HB ASP 4 2HB ASP 4 -9.509 -2.019 -0.783
23 2HB ASP 4 1HB ASP 4 -8.602 -3.259 -1.645
24 H ASP 5 H ASP 5 -5.714 -3.243 -1.470
25 HA ASP 5 HA ASP 5 -5.378 -5.874 -0.580
26 1HB ASP 5 2HB ASP 5 -4.537 -5.064 -2.743
27 2HB ASP 5 1HB ASP 5 -3.354 -4.059 -1.913
28 H ASP 6 H ASP 6 -4.193 -6.802 1.012
29 HA ASP 6 HA ASP 6 -3.393 -5.288 3.230
30 1HB ASP 6 2HB ASP 6 -2.702 -8.132 2.469
31 2HB ASP 6 1HB ASP 6 -2.482 -7.424 4.059
32 H MET 7 H MET 7 -1.958 -3.710 2.287
33 HA MET 7 HA MET 7 0.800 -4.669 2.232
34 1HB MET 7 2HB MET 7 1.324 -3.327 0.233
35 2HB MET 7 1HB MET 7 0.166 -4.604 -0.117
36 1HG MET 7 2HG MET 7 -1.655 -2.989 -0.041
37 2HG MET 7 1HG MET 7 -0.503 -1.703 0.330
38 1HE MET 7 1HE MET 7 -1.406 -0.243 -1.762
39 2HE MET 7 2HE MET 7 -2.593 -1.526 -2.000
40 3HE MET 7 3HE MET 7 -1.638 -0.943 -3.364
41 H GLY 8 H GLY 8 2.271 -3.242 3.065
42 1HA GLY 8 2HA GLY 8 1.818 -0.456 3.345
43 2HA GLY 8 1HA GLY 8 1.422 -1.282 4.845
44 H PHE 9 H PHE 9 3.998 -0.629 2.533
45 HA PHE 9 HA PHE 9 5.917 -0.906 4.703
46 1HB PHE 9 2HB PHE 9 7.475 -1.888 2.835
47 2HB PHE 9 1HB PHE 9 6.379 -2.922 3.746
48 HD1 PHE 9 1HD PHE 9 5.951 -0.709 0.754
49 HD2 PHE 9 2HD PHE 9 5.558 -4.576 2.468
50 HE1 PHE 9 1HE PHE 9 4.924 -1.528 -1.332
51 HE2 PHE 9 2HE PHE 9 4.531 -5.405 0.390
52 HZ PHE 9 HZ PHE 9 4.215 -3.877 -1.514
53 H GLY 10 H GLY 10 8.221 -0.352 3.449
54 1HA GLY 10 2HA GLY 10 8.029 2.450 3.142
55 2HA GLY 10 1HA GLY 10 9.484 1.498 2.941
56 H LEU 11 H LEU 11 7.953 -0.088 0.801
57 HA LEU 11 HA LEU 11 9.009 1.173 -1.425
58 1HB LEU 11 2HB LEU 11 8.244 -1.186 -1.333
59 2HB LEU 11 1HB LEU 11 6.587 -0.617 -1.364
60 1HD1 LEU 11 1HD2 LEU 11 7.709 -1.951 -4.757
61 2HD1 LEU 11 2HD2 LEU 11 6.356 -2.147 -3.643
62 3HD1 LEU 11 3HD2 LEU 11 7.991 -2.555 -3.124
63 1HD2 LEU 11 1HD1 LEU 11 6.077 -0.008 -4.669
64 2HD2 LEU 11 2HD1 LEU 11 7.027 1.386 -4.160
65 3HD2 LEU 11 3HD1 LEU 11 5.809 0.708 -3.080
66 H PHE 12 H PHE 12 5.950 1.650 0.160
67 HA PHE 12 HA PHE 12 5.519 4.042 -1.452
68 1HB PHE 12 2HB PHE 12 3.125 3.496 -1.781
69 2HB PHE 12 1HB PHE 12 4.199 2.374 -2.612
70 HD1 PHE 12 1HD PHE 12 2.543 2.677 0.738
71 HD2 PHE 12 2HD PHE 12 3.623 0.169 -2.527
72 HE1 PHE 12 1HE PHE 12 1.423 0.783 1.827
73 HE2 PHE 12 2HE PHE 12 2.499 -1.729 -1.443
74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.738
75 H ASP 13 H ASP 13 6.132 3.123 1.443
76 HA ASP 13 HA ASP 13 4.106 3.661 3.202
77 1HB ASP 13 2HB ASP 13 5.823 4.379 4.799
78 2HB ASP 13 1HB ASP 13 6.358 2.961 3.899
Start of MODEL 19
1 1H GLU 1 1HT GLU 1 -4.038 8.961 -2.123
2 2H GLU 1 2HT GLU 1 -3.218 7.803 -1.158
3 3H GLU 1 3HT GLU 1 -4.835 8.244 -0.786
4 HA GLU 1 HA GLU 1 -5.421 7.412 -3.049
5 1HB GLU 1 2HB GLU 1 -2.694 6.153 -2.672
6 2HB GLU 1 1HB GLU 1 -3.838 5.737 -3.941
7 1HG GLU 1 2HG GLU 1 -2.541 8.427 -3.565
8 2HG GLU 1 1HG GLU 1 -2.063 7.209 -4.744
9 H GLU 2 H GLU 2 -6.026 5.062 -3.238
10 HA GLU 2 HA GLU 2 -6.505 4.000 -0.548
11 1HB GLU 2 2HB GLU 2 -7.885 3.362 -3.163
12 2HB GLU 2 1HB GLU 2 -8.298 2.664 -1.604
13 1HG GLU 2 2HG GLU 2 -9.874 4.364 -2.041
14 2HG GLU 2 1HG GLU 2 -8.791 4.981 -0.798
15 H ALA 3 H ALA 3 -6.640 1.557 -0.427
16 HA ALA 3 HA ALA 3 -5.243 -0.084 -2.234
17 1HB ALA 3 1HB ALA 3 -3.292 -0.451 -0.470
18 2HB ALA 3 2HB ALA 3 -3.620 1.251 -0.142
19 3HB ALA 3 3HB ALA 3 -3.172 0.735 -1.769
20 H ASP 4 H ASP 4 -7.300 -1.091 -1.572
21 HA ASP 4 HA ASP 4 -7.835 -2.023 1.003
22 1HB ASP 4 2HB ASP 4 -9.509 -2.024 -0.790
23 2HB ASP 4 1HB ASP 4 -8.602 -3.265 -1.649
24 H ASP 5 H ASP 5 -5.713 -3.248 -1.472
25 HA ASP 5 HA ASP 5 -5.378 -5.878 -0.578
26 1HB ASP 5 2HB ASP 5 -4.536 -5.071 -2.742
27 2HB ASP 5 1HB ASP 5 -3.354 -4.064 -1.913
28 H ASP 6 H ASP 6 -4.194 -6.803 1.015
29 HA ASP 6 HA ASP 6 -3.395 -5.287 3.231
30 1HB ASP 6 2HB ASP 6 -2.703 -8.131 2.474
31 2HB ASP 6 1HB ASP 6 -2.483 -7.420 4.065
32 H MET 7 H MET 7 -1.960 -3.710 2.287
33 HA MET 7 HA MET 7 0.798 -4.667 2.234
34 1HB MET 7 2HB MET 7 1.323 -3.329 0.234
35 2HB MET 7 1HB MET 7 0.166 -4.605 -0.114
36 1HG MET 7 2HG MET 7 -1.656 -2.990 -0.041
37 2HG MET 7 1HG MET 7 -0.504 -1.704 0.329
38 1HE MET 7 1HE MET 7 -2.595 -1.535 -2.015
39 2HE MET 7 2HE MET 7 -1.629 -0.938 -3.365
40 3HE MET 7 3HE MET 7 -1.414 -0.252 -1.754
41 H GLY 8 H GLY 8 2.268 -3.240 3.066
42 1HA GLY 8 2HA GLY 8 1.816 -0.454 3.344
43 2HA GLY 8 1HA GLY 8 1.419 -1.278 4.844
44 H PHE 9 H PHE 9 3.996 -0.628 2.533
45 HA PHE 9 HA PHE 9 5.914 -0.902 4.703
46 1HB PHE 9 2HB PHE 9 7.473 -1.885 2.837
47 2HB PHE 9 1HB PHE 9 6.376 -2.919 3.748
48 HD1 PHE 9 1HD PHE 9 5.950 -0.709 0.754
49 HD2 PHE 9 2HD PHE 9 5.557 -4.574 2.471
50 HE1 PHE 9 1HE PHE 9 4.923 -1.530 -1.331
51 HE2 PHE 9 2HE PHE 9 4.531 -5.406 0.394
52 HZ PHE 9 HZ PHE 9 4.214 -3.879 -1.512
53 H GLY 10 H GLY 10 8.219 -0.349 3.450
54 1HA GLY 10 2HA GLY 10 8.026 2.453 3.140
55 2HA GLY 10 1HA GLY 10 9.481 1.500 2.941
56 H LEU 11 H LEU 11 7.952 -0.087 0.802
57 HA LEU 11 HA LEU 11 9.008 1.172 -1.425
58 1HB LEU 11 2HB LEU 11 8.243 -1.188 -1.331
59 2HB LEU 11 1HB LEU 11 6.586 -0.618 -1.364
60 1HD1 LEU 11 1HD2 LEU 11 7.784 -1.976 -4.728
61 2HD1 LEU 11 2HD2 LEU 11 6.346 -2.122 -3.717
62 3HD1 LEU 11 3HD2 LEU 11 7.926 -2.566 -3.072
63 1HD2 LEU 11 1HD1 LEU 11 6.077 -0.014 -4.669
64 2HD2 LEU 11 2HD1 LEU 11 7.027 1.382 -4.162
65 3HD2 LEU 11 3HD1 LEU 11 5.809 0.705 -3.081
66 H PHE 12 H PHE 12 5.948 1.650 0.159
67 HA PHE 12 HA PHE 12 5.518 4.040 -1.457
68 1HB PHE 12 2HB PHE 12 3.124 3.493 -1.785
69 2HB PHE 12 1HB PHE 12 4.199 2.371 -2.616
70 HD1 PHE 12 1HD PHE 12 2.540 2.676 0.733
71 HD2 PHE 12 2HD PHE 12 3.622 0.166 -2.530
72 HE1 PHE 12 1HE PHE 12 1.421 0.783 1.824
73 HE2 PHE 12 2HE PHE 12 2.499 -1.731 -1.442
74 HZ PHE 12 HZ PHE 12 1.398 -1.423 0.737
75 H ASP 13 H ASP 13 6.130 3.125 1.440
76 HA ASP 13 HA ASP 13 4.104 3.663 3.196
77 1HB ASP 13 2HB ASP 13 5.819 4.384 4.794
78 2HB ASP 13 1HB ASP 13 6.355 2.964 3.896
Start of MODEL 20
1 1H GLU 1 1HT GLU 1 -4.951 9.243 -2.724
2 2H GLU 1 2HT GLU 1 -4.115 8.352 -1.518
3 3H GLU 1 3HT GLU 1 -5.803 8.629 -1.369
4 HA GLU 1 HA GLU 1 -6.024 7.415 -3.529
5 1HB GLU 1 2HB GLU 1 -3.249 6.566 -2.668
6 2HB GLU 1 1HB GLU 1 -4.178 5.830 -3.966
7 1HG GLU 1 2HG GLU 1 -3.223 8.683 -3.894
8 2HG GLU 1 1HG GLU 1 -2.479 7.370 -4.804
9 H GLU 2 H GLU 2 -5.758 4.786 -3.317
10 HA GLU 2 HA GLU 2 -6.409 4.072 -0.544
11 1HB GLU 2 2HB GLU 2 -8.009 3.258 -2.978
12 2HB GLU 2 1HB GLU 2 -8.266 2.650 -1.349
13 1HG GLU 2 2HG GLU 2 -9.907 4.299 -1.738
14 2HG GLU 2 1HG GLU 2 -8.726 5.005 -0.638
15 H ALA 3 H ALA 3 -6.636 1.563 -0.412
16 HA ALA 3 HA ALA 3 -5.244 -0.075 -2.225
17 1HB ALA 3 1HB ALA 3 -3.291 -0.447 -0.463
18 2HB ALA 3 2HB ALA 3 -3.615 1.254 -0.133
19 3HB ALA 3 3HB ALA 3 -3.172 0.741 -1.762
20 H ASP 4 H ASP 4 -7.299 -1.082 -1.563
21 HA ASP 4 HA ASP 4 -7.833 -2.019 1.012
22 1HB ASP 4 2HB ASP 4 -9.508 -2.016 -0.779
23 2HB ASP 4 1HB ASP 4 -8.603 -3.255 -1.641
24 H ASP 5 H ASP 5 -5.713 -3.240 -1.469
25 HA ASP 5 HA ASP 5 -5.379 -5.872 -0.580
26 1HB ASP 5 2HB ASP 5 -4.538 -5.060 -2.744
27 2HB ASP 5 1HB ASP 5 -3.355 -4.056 -1.913
28 H ASP 6 H ASP 6 -4.193 -6.801 1.010
29 HA ASP 6 HA ASP 6 -3.392 -5.290 3.229
30 1HB ASP 6 2HB ASP 6 -2.702 -8.132 2.465
31 2HB ASP 6 1HB ASP 6 -2.481 -7.425 4.056
32 H MET 7 H MET 7 -1.958 -3.711 2.286
33 HA MET 7 HA MET 7 0.801 -4.669 2.230
34 1HB MET 7 2HB MET 7 1.324 -3.327 0.232
35 2HB MET 7 1HB MET 7 0.166 -4.604 -0.118
36 1HG MET 7 2HG MET 7 -1.654 -2.987 -0.041
37 2HG MET 7 1HG MET 7 -0.502 -1.703 0.330
38 1HE MET 7 1HE MET 7 -1.621 -0.920 -3.359
39 2HE MET 7 2HE MET 7 -1.420 -0.251 -1.739
40 3HE MET 7 3HE MET 7 -2.597 -1.533 -2.023
41 H GLY 8 H GLY 8 2.272 -3.244 3.063
42 1HA GLY 8 2HA GLY 8 1.819 -0.458 3.346
43 2HA GLY 8 1HA GLY 8 1.424 -1.284 4.845
44 H PHE 9 H PHE 9 4.000 -0.631 2.534
45 HA PHE 9 HA PHE 9 5.919 -0.910 4.702
46 1HB PHE 9 2HB PHE 9 7.476 -1.890 2.833
47 2HB PHE 9 1HB PHE 9 6.380 -2.925 3.743
48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753
49 HD2 PHE 9 2HD PHE 9 5.559 -4.577 2.465
50 HE1 PHE 9 1HE PHE 9 4.925 -1.527 -1.332
51 HE2 PHE 9 2HE PHE 9 4.532 -5.406 0.386
52 HZ PHE 9 HZ PHE 9 4.215 -3.876 -1.517
53 H GLY 10 H GLY 10 8.222 -0.355 3.449
54 1HA GLY 10 2HA GLY 10 8.031 2.448 3.143
55 2HA GLY 10 1HA GLY 10 9.485 1.495 2.942
56 H LEU 11 H LEU 11 7.955 -0.088 0.800
57 HA LEU 11 HA LEU 11 9.010 1.174 -1.425
58 1HB LEU 11 2HB LEU 11 8.244 -1.185 -1.334
59 2HB LEU 11 1HB LEU 11 6.587 -0.616 -1.365
60 1HD1 LEU 11 1HD2 LEU 11 7.967 -2.028 -4.633
61 2HD1 LEU 11 2HD2 LEU 11 6.351 -2.045 -3.926
62 3HD1 LEU 11 3HD2 LEU 11 7.736 -2.571 -2.970
63 1HD2 LEU 11 1HD1 LEU 11 6.077 -0.005 -4.669
64 2HD2 LEU 11 2HD1 LEU 11 7.027 1.389 -4.159
65 3HD2 LEU 11 3HD1 LEU 11 5.809 0.711 -3.079
66 H PHE 12 H PHE 12 5.952 1.651 0.162
67 HA PHE 12 HA PHE 12 5.520 4.043 -1.449
68 1HB PHE 12 2HB PHE 12 3.125 3.497 -1.777
69 2HB PHE 12 1HB PHE 12 4.200 2.376 -2.609
70 HD1 PHE 12 1HD PHE 12 2.544 2.677 0.741
71 HD2 PHE 12 2HD PHE 12 3.622 0.172 -2.527
72 HE1 PHE 12 1HE PHE 12 1.425 0.781 1.830
73 HE2 PHE 12 2HE PHE 12 2.499 -1.728 -1.443
74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.737
75 H ASP 13 H ASP 13 6.134 3.122 1.446
76 HA ASP 13 HA ASP 13 4.109 3.658 3.205
77 1HB ASP 13 2HB ASP 13 5.825 4.376 4.802
78 2HB ASP 13 1HB ASP 13 6.360 2.958 3.902