NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566649 |
2md2   |
19469 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H TRP 1 1.807 0.000 0.856
2 HA TRP 1 HA TRP 1 2.656 -0.920 -1.283
3 HB2 TRP 1 2HB TRP 1 0.343 -0.644 -2.297
4 HB3 TRP 1 3HB TRP 1 0.742 1.056 -2.525
5 HD1 TRP 1 HD1 TRP 1 3.614 -1.301 -3.096
6 HE1 TRP 1 HE1 TRP 1 4.093 -1.482 -5.619
7 HE3 TRP 1 HE3 TRP 1 -0.537 1.089 -4.884
8 HZ2 TRP 1 HZ2 TRP 1 2.873 -0.714 -8.045
9 HZ3 TRP 1 HZ3 TRP 1 -0.805 1.325 -7.319
10 HH2 TRP 1 HH2 TRP 1 0.866 0.442 -8.865
11 H LYS 2 H LYS 2 4.505 -0.004 -2.011
12 HA LYS 2 HA LYS 2 5.571 2.242 -0.821
13 HB2 LYS 2 2HB LYS 2 6.326 1.247 -3.571
14 HB3 LYS 2 3HB LYS 2 7.347 2.131 -2.444
15 HG2 LYS 2 2HG LYS 2 6.435 -0.716 -2.319
16 HG3 LYS 2 3HG LYS 2 8.076 -0.066 -2.260
17 HD2 LYS 2 2HD LYS 2 7.513 0.963 -0.059
18 HD3 LYS 2 3HD LYS 2 5.960 0.125 -0.117
19 HE2 LYS 2 2HE LYS 2 7.073 -2.017 -0.141
20 HE3 LYS 2 3HE LYS 2 8.650 -1.235 -0.236
21 HZ1 LYS 2 3HZ LYS 2 6.956 -0.484 2.010
22 HZ2 LYS 2 1HZ LYS 2 8.630 -0.723 1.947
23 HZ3 LYS 2 2HZ LYS 2 7.590 -2.052 2.039
24 H LEU 3 H LEU 3 3.989 1.994 -3.987
25 HA LEU 3 HA LEU 3 4.337 4.726 -4.672
26 HB2 LEU 3 2HB LEU 3 2.623 2.498 -5.685
27 HB3 LEU 3 3HB LEU 3 2.345 4.145 -6.247
28 HG LEU 3 HG LEU 3 4.324 4.218 -7.429
29 HD11 LEU 3 1HD1 LEU 3 6.239 2.772 -7.044
30 HD12 LEU 3 2HD1 LEU 3 5.354 1.909 -5.787
31 HD13 LEU 3 3HD1 LEU 3 5.780 3.605 -5.559
32 HD21 LEU 3 3HD2 LEU 3 4.142 1.287 -7.708
33 HD22 LEU 3 1HD2 LEU 3 4.077 2.553 -8.933
34 HD23 LEU 3 2HD2 LEU 3 2.647 2.188 -7.966
35 H LEU 4 H LEU 4 2.218 3.125 -2.541
36 HA LEU 4 HA LEU 4 0.286 5.330 -2.584
37 HB2 LEU 4 2HB LEU 4 -0.559 3.011 -2.673
38 HB3 LEU 4 3HB LEU 4 0.178 2.706 -1.101
39 HG LEU 4 HG LEU 4 -2.351 3.175 -1.219
40 HD11 LEU 4 1HD1 LEU 4 -1.614 5.003 0.799
41 HD12 LEU 4 2HD1 LEU 4 -0.338 3.790 0.703
42 HD13 LEU 4 3HD1 LEU 4 -2.009 3.292 0.965
43 HD21 LEU 4 3HD2 LEU 4 -2.163 5.156 -2.671
44 HD22 LEU 4 1HD2 LEU 4 -1.310 6.001 -1.379
45 HD23 LEU 4 2HD2 LEU 4 -2.989 5.509 -1.153
46 H SER 5 H SER 5 2.877 3.998 -0.745
47 HA SER 5 HA SER 5 2.176 5.571 1.620
48 HB2 SER 5 2HB SER 5 4.423 3.589 1.179
49 HB3 SER 5 3HB SER 5 4.049 4.387 2.707
50 HG SER 5 HG SER 5 3.152 2.164 2.218
51 H LYS 6 H LYS 6 4.202 5.656 -1.140
52 HA LYS 6 HA LYS 6 6.401 7.106 -0.321
53 HB2 LYS 6 2HB LYS 6 5.236 6.385 -2.771
54 HB3 LYS 6 3HB LYS 6 5.408 8.134 -2.834
55 HG2 LYS 6 2HG LYS 6 7.493 7.752 -3.502
56 HG3 LYS 6 3HG LYS 6 7.829 7.315 -1.825
57 HD2 LYS 6 2HD LYS 6 6.657 5.169 -3.456
58 HD3 LYS 6 3HD LYS 6 8.266 5.692 -3.959
59 HE2 LYS 6 2HE LYS 6 7.481 4.819 -1.180
60 HE3 LYS 6 3HE LYS 6 8.368 3.845 -2.352
61 HZ1 LYS 6 3HZ LYS 6 9.975 5.869 -2.325
62 HZ2 LYS 6 1HZ LYS 6 10.056 4.711 -1.094
63 HZ3 LYS 6 2HZ LYS 6 9.270 6.184 -0.820
64 H ALA 7 H ALA 7 3.105 8.116 -0.566
65 HA ALA 7 HA ALA 7 3.448 10.894 -0.787
66 HB1 ALA 7 1HB ALA 7 1.164 10.804 0.562
67 HB2 ALA 7 2HB ALA 7 1.270 10.340 -1.136
68 HB3 ALA 7 3HB ALA 7 1.267 9.100 0.118
69 H GLN 8 H GLN 8 3.824 8.724 1.894
70 HA GLN 8 HA GLN 8 4.215 11.021 3.695
71 HB2 GLN 8 2HB GLN 8 3.930 9.238 5.517
72 HB3 GLN 8 3HB GLN 8 2.493 9.738 4.636
73 HG2 GLN 8 2HG GLN 8 2.562 7.755 3.287
74 HG3 GLN 8 3HG GLN 8 4.102 7.278 4.000
75 HE21 GLN 8 1HE2 GLN 8 0.899 6.685 4.044
76 HE22 GLN 8 2HE2 GLN 8 0.731 6.046 5.641
77 H GLU 9 H GLU 9 5.891 8.905 1.858
78 HA GLU 9 HA GLU 9 8.138 8.781 3.761
79 HB2 GLU 9 2HB GLU 9 6.943 6.662 2.519
80 HB3 GLU 9 3HB GLU 9 8.253 7.023 1.403
81 HG2 GLU 9 2HG GLU 9 8.593 6.534 4.353
82 HG3 GLU 9 3HG GLU 9 8.843 5.329 3.091
83 H LYS 10 H LYS 10 7.436 11.012 2.024
84 HA LYS 10 HA LYS 10 9.055 11.080 -0.282
85 HB2 LYS 10 2HB LYS 10 8.773 13.535 -0.152
86 HB3 LYS 10 3HB LYS 10 7.252 12.670 0.024
87 HG2 LYS 10 2HG LYS 10 8.457 13.116 2.596
88 HG3 LYS 10 3HG LYS 10 8.296 14.633 1.707
89 HD2 LYS 10 2HD LYS 10 6.003 14.507 1.642
90 HD3 LYS 10 3HD LYS 10 5.990 12.745 1.754
91 HE2 LYS 10 2HE LYS 10 6.296 12.765 4.054
92 HE3 LYS 10 3HE LYS 10 6.967 14.395 4.051
93 HZ1 LYS 10 3HZ LYS 10 4.720 14.330 4.964
94 HZ2 LYS 10 1HZ LYS 10 4.128 13.714 3.504
95 HZ3 LYS 10 2HZ LYS 10 4.783 15.272 3.560
Start of MODEL 2
1 H1 TRP 1 H TRP 1 1.829 -0.280 0.886
2 HA TRP 1 HA TRP 1 2.780 -1.125 -1.241
3 HB2 TRP 1 2HB TRP 1 0.518 -0.802 -2.354
4 HB3 TRP 1 3HB TRP 1 0.934 0.903 -2.503
5 HD1 TRP 1 HD1 TRP 1 3.819 -1.452 -3.017
6 HE1 TRP 1 HE1 TRP 1 4.420 -1.548 -5.518
7 HE3 TRP 1 HE3 TRP 1 -0.226 1.028 -4.918
8 HZ2 TRP 1 HZ2 TRP 1 3.324 -0.686 -7.972
9 HZ3 TRP 1 HZ3 TRP 1 -0.374 1.351 -7.353
10 HH2 TRP 1 HH2 TRP 1 1.365 0.512 -8.847
11 H LYS 2 H LYS 2 4.662 -0.187 -1.852
12 HA LYS 2 HA LYS 2 5.669 2.014 -0.528
13 HB2 LYS 2 2HB LYS 2 6.472 0.491 -2.952
14 HB3 LYS 2 3HB LYS 2 7.246 2.048 -2.689
15 HG2 LYS 2 2HG LYS 2 8.405 -0.030 -1.771
16 HG3 LYS 2 3HG LYS 2 8.234 1.358 -0.694
17 HD2 LYS 2 2HD LYS 2 6.351 0.334 0.406
18 HD3 LYS 2 3HD LYS 2 6.351 -0.999 -0.751
19 HE2 LYS 2 2HE LYS 2 8.821 -0.447 0.825
20 HE3 LYS 2 3HE LYS 2 7.468 -1.255 1.615
21 HZ1 LYS 2 3HZ LYS 2 9.357 -2.539 0.257
22 HZ2 LYS 2 1HZ LYS 2 8.227 -2.309 -0.981
23 HZ3 LYS 2 2HZ LYS 2 7.780 -3.125 0.431
24 H LEU 3 H LEU 3 4.172 1.868 -3.733
25 HA LEU 3 HA LEU 3 4.583 4.627 -4.321
26 HB2 LEU 3 2HB LEU 3 2.938 2.431 -5.504
27 HB3 LEU 3 3HB LEU 3 2.680 4.096 -6.020
28 HG LEU 3 HG LEU 3 4.745 4.230 -7.063
29 HD11 LEU 3 1HD1 LEU 3 6.055 3.441 -5.133
30 HD12 LEU 3 2HD1 LEU 3 6.616 2.758 -6.658
31 HD13 LEU 3 3HD1 LEU 3 5.647 1.779 -5.557
32 HD21 LEU 3 3HD2 LEU 3 3.063 2.259 -7.811
33 HD22 LEU 3 1HD2 LEU 3 4.542 1.332 -7.554
34 HD23 LEU 3 2HD2 LEU 3 4.534 2.683 -8.689
35 H LEU 4 H LEU 4 2.385 2.961 -2.339
36 HA LEU 4 HA LEU 4 0.445 5.161 -2.411
37 HB2 LEU 4 2HB LEU 4 -0.438 2.891 -2.650
38 HB3 LEU 4 3HB LEU 4 0.274 2.451 -1.099
39 HG LEU 4 HG LEU 4 -2.251 2.958 -1.217
40 HD11 LEU 4 1HD1 LEU 4 -1.932 2.870 0.973
41 HD12 LEU 4 2HD1 LEU 4 -1.537 4.589 0.966
42 HD13 LEU 4 3HD1 LEU 4 -0.258 3.389 0.782
43 HD21 LEU 4 3HD2 LEU 4 -2.990 5.096 -1.411
44 HD22 LEU 4 1HD2 LEU 4 -1.542 5.231 -2.410
45 HD23 LEU 4 2HD2 LEU 4 -1.514 5.788 -0.736
46 H SER 5 H SER 5 2.933 3.749 -0.493
47 HA SER 5 HA SER 5 2.113 5.267 1.876
48 HB2 SER 5 2HB SER 5 4.209 3.120 1.492
49 HB3 SER 5 3HB SER 5 3.958 3.988 3.006
50 HG SER 5 HG SER 5 2.290 2.776 3.392
51 H LYS 6 H LYS 6 4.338 5.312 -0.729
52 HA LYS 6 HA LYS 6 6.516 6.672 0.313
53 HB2 LYS 6 2HB LYS 6 6.774 5.952 -1.887
54 HB3 LYS 6 3HB LYS 6 5.228 6.621 -2.392
55 HG2 LYS 6 2HG LYS 6 7.300 8.530 -1.482
56 HG3 LYS 6 3HG LYS 6 7.546 7.735 -3.038
57 HD2 LYS 6 2HD LYS 6 4.828 8.733 -2.660
58 HD3 LYS 6 3HD LYS 6 6.054 10.002 -2.613
59 HE2 LYS 6 2HE LYS 6 5.880 7.931 -4.793
60 HE3 LYS 6 3HE LYS 6 5.098 9.508 -4.885
61 HZ1 LYS 6 3HZ LYS 6 8.013 9.008 -4.618
62 HZ2 LYS 6 1HZ LYS 6 7.290 10.538 -4.616
63 HZ3 LYS 6 2HZ LYS 6 7.214 9.569 -6.000
64 H ALA 7 H ALA 7 3.303 7.799 -0.318
65 HA ALA 7 HA ALA 7 3.823 10.572 -0.459
66 HB1 ALA 7 1HB ALA 7 1.687 10.444 -1.059
67 HB2 ALA 7 2HB ALA 7 1.505 8.853 -0.319
68 HB3 ALA 7 3HB ALA 7 1.291 10.307 0.655
69 H GLN 8 H GLN 8 3.833 8.355 2.158
70 HA GLN 8 HA GLN 8 3.959 10.599 4.064
71 HB2 GLN 8 2HB GLN 8 3.211 8.911 5.788
72 HB3 GLN 8 3HB GLN 8 1.999 9.366 4.597
73 HG2 GLN 8 2HG GLN 8 2.190 7.323 3.460
74 HG3 GLN 8 3HG GLN 8 3.695 6.914 4.282
75 HE21 GLN 8 1HE2 GLN 8 0.520 6.209 4.133
76 HE22 GLN 8 2HE2 GLN 8 0.267 5.604 5.731
77 H GLU 9 H GLU 9 5.720 8.260 2.529
78 HA GLU 9 HA GLU 9 7.659 8.095 4.743
79 HB2 GLU 9 2HB GLU 9 6.936 6.124 2.594
80 HB3 GLU 9 3HB GLU 9 8.505 6.056 3.384
81 HG2 GLU 9 2HG GLU 9 6.744 6.230 5.492
82 HG3 GLU 9 3HG GLU 9 5.899 5.204 4.335
83 H LYS 10 H LYS 10 7.418 10.246 2.810
84 HA LYS 10 HA LYS 10 9.606 9.892 0.945
85 HB2 LYS 10 2HB LYS 10 9.110 12.229 0.296
86 HB3 LYS 10 3HB LYS 10 7.693 11.190 0.220
87 HG2 LYS 10 2HG LYS 10 6.758 12.139 2.151
88 HG3 LYS 10 3HG LYS 10 8.281 12.902 2.612
89 HD2 LYS 10 2HD LYS 10 6.828 13.606 0.074
90 HD3 LYS 10 3HD LYS 10 6.496 14.413 1.609
91 HE2 LYS 10 2HE LYS 10 9.133 14.673 1.612
92 HE3 LYS 10 3HE LYS 10 8.904 14.534 -0.131
93 HZ1 LYS 10 3HZ LYS 10 7.141 16.333 0.200
94 HZ2 LYS 10 1HZ LYS 10 8.765 16.799 0.281
95 HZ3 LYS 10 2HZ LYS 10 7.870 16.604 1.702
Start of MODEL 3
1 H1 TRP 1 H TRP 1 1.879 -0.137 0.936
2 HA TRP 1 HA TRP 1 2.830 -0.990 -1.188
3 HB2 TRP 1 2HB TRP 1 0.529 -0.752 -2.263
4 HB3 TRP 1 3HB TRP 1 0.915 0.953 -2.477
5 HD1 TRP 1 HD1 TRP 1 3.846 -1.344 -2.953
6 HE1 TRP 1 HE1 TRP 1 4.404 -1.528 -5.459
7 HE3 TRP 1 HE3 TRP 1 -0.305 0.936 -4.878
8 HZ2 TRP 1 HZ2 TRP 1 3.239 -0.802 -7.926
9 HZ3 TRP 1 HZ3 TRP 1 -0.507 1.151 -7.321
10 HH2 TRP 1 HH2 TRP 1 1.230 0.300 -8.812
11 H LYS 2 H LYS 2 4.674 -0.005 -1.825
12 HA LYS 2 HA LYS 2 5.606 2.270 -0.567
13 HB2 LYS 2 2HB LYS 2 6.543 1.335 -3.280
14 HB3 LYS 2 3HB LYS 2 7.474 2.207 -2.070
15 HG2 LYS 2 2HG LYS 2 6.588 -0.655 -2.045
16 HG3 LYS 2 3HG LYS 2 8.223 0.000 -1.932
17 HD2 LYS 2 2HD LYS 2 7.604 0.992 0.267
18 HD3 LYS 2 3HD LYS 2 6.050 0.162 0.155
19 HE2 LYS 2 2HE LYS 2 7.075 -1.514 1.225
20 HE3 LYS 2 3HE LYS 2 7.827 -1.861 -0.331
21 HZ1 LYS 2 3HZ LYS 2 9.634 -1.721 1.054
22 HZ2 LYS 2 1HZ LYS 2 8.962 -0.502 2.016
23 HZ3 LYS 2 2HZ LYS 2 9.560 -0.133 0.477
24 H LEU 3 H LEU 3 4.207 1.976 -3.816
25 HA LEU 3 HA LEU 3 4.507 4.702 -4.507
26 HB2 LEU 3 2HB LEU 3 2.866 2.432 -5.543
27 HB3 LEU 3 3HB LEU 3 2.559 4.067 -6.124
28 HG LEU 3 HG LEU 3 4.526 4.166 -7.297
29 HD11 LEU 3 1HD1 LEU 3 5.654 2.022 -5.502
30 HD12 LEU 3 2HD1 LEU 3 6.001 3.748 -5.407
31 HD13 LEU 3 3HD1 LEU 3 6.512 2.823 -6.819
32 HD21 LEU 3 3HD2 LEU 3 4.481 1.207 -7.412
33 HD22 LEU 3 1HD2 LEU 3 4.461 2.395 -8.715
34 HD23 LEU 3 2HD2 LEU 3 2.985 2.054 -7.811
35 H LEU 4 H LEU 4 2.362 3.102 -2.408
36 HA LEU 4 HA LEU 4 0.422 5.302 -2.515
37 HB2 LEU 4 2HB LEU 4 -0.061 2.670 -2.488
38 HB3 LEU 4 3HB LEU 4 -0.025 2.967 -0.752
39 HG LEU 4 HG LEU 4 -1.958 3.989 -2.801
40 HD11 LEU 4 1HD1 LEU 4 -2.945 2.168 -1.898
41 HD12 LEU 4 2HD1 LEU 4 -3.392 3.323 -0.643
42 HD13 LEU 4 3HD1 LEU 4 -2.005 2.259 -0.408
43 HD21 LEU 4 3HD2 LEU 4 -2.853 5.527 -1.127
44 HD22 LEU 4 1HD2 LEU 4 -1.198 5.951 -1.565
45 HD23 LEU 4 2HD2 LEU 4 -1.522 5.126 -0.040
46 H SER 5 H SER 5 2.910 3.896 -0.582
47 HA SER 5 HA SER 5 2.123 5.428 1.780
48 HB2 SER 5 2HB SER 5 4.429 3.499 1.416
49 HB3 SER 5 3HB SER 5 3.890 4.202 2.941
50 HG SER 5 HG SER 5 1.867 3.129 2.581
51 H LYS 6 H LYS 6 4.130 5.688 -0.937
52 HA LYS 6 HA LYS 6 6.358 7.056 -0.029
53 HB2 LYS 6 2HB LYS 6 5.250 6.449 -2.504
54 HB3 LYS 6 3HB LYS 6 5.295 8.207 -2.484
55 HG2 LYS 6 2HG LYS 6 7.420 8.082 -3.091
56 HG3 LYS 6 3HG LYS 6 7.777 7.407 -1.499
57 HD2 LYS 6 2HD LYS 6 8.650 5.798 -2.910
58 HD3 LYS 6 3HD LYS 6 7.037 5.159 -2.584
59 HE2 LYS 6 2HE LYS 6 6.288 5.595 -4.696
60 HE3 LYS 6 3HE LYS 6 7.365 6.974 -4.911
61 HZ1 LYS 6 3HZ LYS 6 7.750 4.630 -6.087
62 HZ2 LYS 6 1HZ LYS 6 8.645 4.375 -4.674
63 HZ3 LYS 6 2HZ LYS 6 9.016 5.677 -5.688
64 H ALA 7 H ALA 7 3.069 8.087 -0.168
65 HA ALA 7 HA ALA 7 3.445 10.880 -0.214
66 HB1 ALA 7 1HB ALA 7 1.287 9.412 -0.467
67 HB2 ALA 7 2HB ALA 7 1.158 9.682 1.272
68 HB3 ALA 7 3HB ALA 7 1.190 11.056 0.166
69 H GLN 8 H GLN 8 3.814 8.521 2.288
70 HA GLN 8 HA GLN 8 4.171 10.674 4.267
71 HB2 GLN 8 2HB GLN 8 3.859 8.760 5.947
72 HB3 GLN 8 3HB GLN 8 2.434 9.333 5.090
73 HG2 GLN 8 2HG GLN 8 2.626 7.457 3.530
74 HG3 GLN 8 3HG GLN 8 4.036 6.877 4.413
75 HE21 GLN 8 1HE2 GLN 8 0.744 7.974 5.176
76 HE22 GLN 8 2HE2 GLN 8 0.374 6.667 6.243
77 H GLU 9 H GLU 9 5.859 8.684 2.299
78 HA GLU 9 HA GLU 9 8.079 8.397 4.216
79 HB2 GLU 9 2HB GLU 9 7.438 6.775 1.748
80 HB3 GLU 9 3HB GLU 9 8.921 6.613 2.678
81 HG2 GLU 9 2HG GLU 9 7.280 6.223 4.671
82 HG3 GLU 9 3HG GLU 9 6.141 5.819 3.388
83 H LYS 10 H LYS 10 7.471 10.801 2.758
84 HA LYS 10 HA LYS 10 9.519 10.926 0.680
85 HB2 LYS 10 2HB LYS 10 8.623 13.128 0.173
86 HB3 LYS 10 3HB LYS 10 7.320 11.949 0.242
87 HG2 LYS 10 2HG LYS 10 6.268 13.319 1.627
88 HG3 LYS 10 3HG LYS 10 7.508 12.957 2.830
89 HD2 LYS 10 2HD LYS 10 8.597 14.927 2.499
90 HD3 LYS 10 3HD LYS 10 8.168 15.001 0.789
91 HE2 LYS 10 2HE LYS 10 6.651 16.531 1.356
92 HE3 LYS 10 3HE LYS 10 5.739 15.220 2.102
93 HZ1 LYS 10 3HZ LYS 10 5.979 16.860 3.743
94 HZ2 LYS 10 1HZ LYS 10 7.618 17.101 3.403
95 HZ3 LYS 10 2HZ LYS 10 7.111 15.672 4.151
Start of MODEL 4
1 H1 TRP 1 H TRP 1 1.816 -0.256 0.858
2 HA TRP 1 HA TRP 1 2.874 -1.003 -1.255
3 HB2 TRP 1 2HB TRP 1 0.607 -0.812 -2.408
4 HB3 TRP 1 3HB TRP 1 0.937 0.912 -2.552
5 HD1 TRP 1 HD1 TRP 1 3.966 -1.261 -2.992
6 HE1 TRP 1 HE1 TRP 1 4.621 -1.340 -5.480
7 HE3 TRP 1 HE3 TRP 1 -0.194 0.932 -4.997
8 HZ2 TRP 1 HZ2 TRP 1 3.521 -0.574 -7.963
9 HZ3 TRP 1 HZ3 TRP 1 -0.314 1.223 -7.437
10 HH2 TRP 1 HH2 TRP 1 1.506 0.485 -8.888
11 H LYS 2 H LYS 2 4.703 0.068 -1.791
12 HA LYS 2 HA LYS 2 5.505 2.331 -0.428
13 HB2 LYS 2 2HB LYS 2 6.572 1.520 -3.133
14 HB3 LYS 2 3HB LYS 2 7.426 2.385 -1.862
15 HG2 LYS 2 2HG LYS 2 6.648 -0.507 -1.960
16 HG3 LYS 2 3HG LYS 2 8.252 0.204 -1.764
17 HD2 LYS 2 2HD LYS 2 7.512 1.101 0.440
18 HD3 LYS 2 3HD LYS 2 5.998 0.215 0.242
19 HE2 LYS 2 2HE LYS 2 7.562 -1.833 -0.126
20 HE3 LYS 2 3HE LYS 2 8.767 -0.829 0.680
21 HZ1 LYS 2 3HZ LYS 2 7.534 -0.786 2.634
22 HZ2 LYS 2 1HZ LYS 2 7.363 -2.384 2.106
23 HZ3 LYS 2 2HZ LYS 2 6.104 -1.278 1.876
24 H LEU 3 H LEU 3 4.235 2.095 -3.734
25 HA LEU 3 HA LEU 3 4.460 4.853 -4.326
26 HB2 LEU 3 2HB LEU 3 2.942 2.561 -5.494
27 HB3 LEU 3 3HB LEU 3 2.596 4.202 -6.034
28 HG LEU 3 HG LEU 3 4.605 4.413 -7.123
29 HD11 LEU 3 1HD1 LEU 3 5.737 2.229 -5.381
30 HD12 LEU 3 2HD1 LEU 3 6.014 3.959 -5.186
31 HD13 LEU 3 3HD1 LEU 3 6.615 3.126 -6.620
32 HD21 LEU 3 3HD2 LEU 3 4.637 2.703 -8.611
33 HD22 LEU 3 1HD2 LEU 3 3.152 2.269 -7.765
34 HD23 LEU 3 2HD2 LEU 3 4.667 1.463 -7.357
35 H LEU 4 H LEU 4 2.300 3.107 -2.360
36 HA LEU 4 HA LEU 4 0.286 5.240 -2.470
37 HB2 LEU 4 2HB LEU 4 -0.101 2.593 -2.545
38 HB3 LEU 4 3HB LEU 4 -0.137 2.833 -0.799
39 HG LEU 4 HG LEU 4 -2.033 3.852 -2.885
40 HD11 LEU 4 1HD1 LEU 4 -3.523 3.064 -0.814
41 HD12 LEU 4 2HD1 LEU 4 -2.105 2.051 -0.542
42 HD13 LEU 4 3HD1 LEU 4 -2.972 1.960 -2.075
43 HD21 LEU 4 3HD2 LEU 4 -3.043 5.301 -1.197
44 HD22 LEU 4 1HD2 LEU 4 -1.390 5.798 -1.560
45 HD23 LEU 4 2HD2 LEU 4 -1.737 4.912 -0.075
46 H SER 5 H SER 5 2.752 3.860 -0.490
47 HA SER 5 HA SER 5 1.825 5.284 1.887
48 HB2 SER 5 2HB SER 5 4.217 3.459 1.553
49 HB3 SER 5 3HB SER 5 3.585 4.083 3.077
50 HG SER 5 HG SER 5 2.226 2.360 1.274
51 H LYS 6 H LYS 6 3.920 5.704 -0.742
52 HA LYS 6 HA LYS 6 6.060 7.121 0.290
53 HB2 LYS 6 2HB LYS 6 5.062 6.558 -2.243
54 HB3 LYS 6 3HB LYS 6 5.048 8.315 -2.165
55 HG2 LYS 6 2HG LYS 6 7.191 8.256 -2.725
56 HG3 LYS 6 3HG LYS 6 7.517 7.600 -1.119
57 HD2 LYS 6 2HD LYS 6 8.512 6.041 -2.521
58 HD3 LYS 6 3HD LYS 6 6.934 5.319 -2.197
59 HE2 LYS 6 2HE LYS 6 7.486 5.160 -4.561
60 HE3 LYS 6 3HE LYS 6 6.094 6.214 -4.315
61 HZ1 LYS 6 3HZ LYS 6 8.356 6.823 -5.721
62 HZ2 LYS 6 1HZ LYS 6 8.554 7.660 -4.264
63 HZ3 LYS 6 2HZ LYS 6 7.174 7.919 -5.208
64 H ALA 7 H ALA 7 2.743 8.036 0.064
65 HA ALA 7 HA ALA 7 3.012 10.841 0.116
66 HB1 ALA 7 1HB ALA 7 0.746 9.357 1.410
67 HB2 ALA 7 2HB ALA 7 0.723 10.925 0.602
68 HB3 ALA 7 3HB ALA 7 0.920 9.450 -0.343
69 H GLN 8 H GLN 8 3.385 8.420 2.560
70 HA GLN 8 HA GLN 8 3.564 10.515 4.622
71 HB2 GLN 8 2HB GLN 8 2.946 8.937 6.259
72 HB3 GLN 8 3HB GLN 8 1.862 8.638 4.907
73 HG2 GLN 8 2HG GLN 8 4.063 6.993 4.449
74 HG3 GLN 8 3HG GLN 8 3.743 6.873 6.179
75 HE21 GLN 8 1HE2 GLN 8 2.621 5.104 6.545
76 HE22 GLN 8 2HE2 GLN 8 1.260 4.553 5.635
77 H GLU 9 H GLU 9 5.428 8.669 2.643
78 HA GLU 9 HA GLU 9 7.439 7.668 4.331
79 HB2 GLU 9 2HB GLU 9 7.198 8.295 1.442
80 HB3 GLU 9 3HB GLU 9 8.829 8.173 2.086
81 HG2 GLU 9 2HG GLU 9 8.103 5.933 3.052
82 HG3 GLU 9 3HG GLU 9 6.695 6.070 2.000
83 H LYS 10 H LYS 10 6.878 10.847 2.975
84 HA LYS 10 HA LYS 10 9.102 11.868 4.605
85 HB2 LYS 10 2HB LYS 10 9.603 13.515 2.815
86 HB3 LYS 10 3HB LYS 10 9.909 11.853 2.328
87 HG2 LYS 10 2HG LYS 10 8.801 12.486 0.480
88 HG3 LYS 10 3HG LYS 10 7.381 12.122 1.464
89 HD2 LYS 10 2HD LYS 10 6.743 14.263 1.492
90 HD3 LYS 10 3HD LYS 10 8.366 14.818 1.909
91 HE2 LYS 10 2HE LYS 10 7.607 13.973 -0.876
92 HE3 LYS 10 3HE LYS 10 7.405 15.628 -0.301
93 HZ1 LYS 10 3HZ LYS 10 9.514 15.248 -1.495
94 HZ2 LYS 10 1HZ LYS 10 9.984 14.158 -0.290
95 HZ3 LYS 10 2HZ LYS 10 9.747 15.788 0.092
Start of MODEL 5
1 H1 TRP 1 H TRP 1 1.730 -0.254 0.842
2 HA TRP 1 HA TRP 1 2.694 -1.133 -1.266
3 HB2 TRP 1 2HB TRP 1 0.445 -0.811 -2.405
4 HB3 TRP 1 3HB TRP 1 0.872 0.890 -2.569
5 HD1 TRP 1 HD1 TRP 1 3.749 -1.486 -3.030
6 HE1 TRP 1 HE1 TRP 1 4.372 -1.612 -5.524
7 HE3 TRP 1 HE3 TRP 1 -0.265 0.997 -4.996
8 HZ2 TRP 1 HZ2 TRP 1 3.304 -0.769 -7.997
9 HZ3 TRP 1 HZ3 TRP 1 -0.388 1.295 -7.435
10 HH2 TRP 1 HH2 TRP 1 1.361 0.430 -8.903
11 H LYS 2 H LYS 2 4.587 -0.215 -1.874
12 HA LYS 2 HA LYS 2 5.599 1.994 -0.567
13 HB2 LYS 2 2HB LYS 2 6.505 1.037 -3.286
14 HB3 LYS 2 3HB LYS 2 7.464 1.906 -2.096
15 HG2 LYS 2 2HG LYS 2 6.548 -0.940 -2.059
16 HG3 LYS 2 3HG LYS 2 8.180 -0.290 -1.886
17 HD2 LYS 2 2HD LYS 2 7.474 0.709 0.288
18 HD3 LYS 2 3HD LYS 2 5.931 -0.132 0.119
19 HE2 LYS 2 2HE LYS 2 6.904 -1.832 1.188
20 HE3 LYS 2 3HE LYS 2 7.792 -2.121 -0.308
21 HZ1 LYS 2 3HZ LYS 2 9.274 -1.979 1.596
22 HZ2 LYS 2 1HZ LYS 2 8.717 -0.420 1.945
23 HZ3 LYS 2 2HZ LYS 2 9.571 -0.713 0.515
24 H LEU 3 H LEU 3 4.116 1.823 -3.776
25 HA LEU 3 HA LEU 3 4.549 4.576 -4.386
26 HB2 LEU 3 2HB LEU 3 2.913 2.375 -5.573
27 HB3 LEU 3 3HB LEU 3 2.669 4.037 -6.106
28 HG LEU 3 HG LEU 3 4.737 4.149 -7.135
29 HD11 LEU 3 1HD1 LEU 3 6.607 2.674 -6.680
30 HD12 LEU 3 2HD1 LEU 3 5.628 1.750 -5.542
31 HD13 LEU 3 3HD1 LEU 3 6.043 3.427 -5.188
32 HD21 LEU 3 3HD2 LEU 3 3.078 2.163 -7.871
33 HD22 LEU 3 1HD2 LEU 3 4.545 1.236 -7.556
34 HD23 LEU 3 2HD2 LEU 3 4.571 2.556 -8.726
35 H LEU 4 H LEU 4 2.330 2.935 -2.411
36 HA LEU 4 HA LEU 4 0.390 5.133 -2.530
37 HB2 LEU 4 2HB LEU 4 -0.490 2.860 -2.751
38 HB3 LEU 4 3HB LEU 4 0.206 2.439 -1.187
39 HG LEU 4 HG LEU 4 -2.317 2.944 -1.337
40 HD11 LEU 4 1HD1 LEU 4 -1.626 4.601 0.833
41 HD12 LEU 4 2HD1 LEU 4 -0.346 3.399 0.676
42 HD13 LEU 4 3HD1 LEU 4 -2.022 2.882 0.857
43 HD21 LEU 4 3HD2 LEU 4 -1.597 5.203 -2.550
44 HD22 LEU 4 1HD2 LEU 4 -1.588 5.779 -0.883
45 HD23 LEU 4 2HD2 LEU 4 -3.056 5.079 -1.565
46 H SER 5 H SER 5 2.858 3.746 -0.569
47 HA SER 5 HA SER 5 2.013 5.294 1.771
48 HB2 SER 5 2HB SER 5 4.103 3.135 1.433
49 HB3 SER 5 3HB SER 5 3.856 4.030 2.932
50 HG SER 5 HG SER 5 2.121 2.898 3.317
51 H LYS 6 H LYS 6 4.259 5.312 -0.813
52 HA LYS 6 HA LYS 6 6.428 6.684 0.236
53 HB2 LYS 6 2HB LYS 6 6.711 5.936 -1.952
54 HB3 LYS 6 3HB LYS 6 5.169 6.595 -2.482
55 HG2 LYS 6 2HG LYS 6 7.130 8.581 -1.565
56 HG3 LYS 6 3HG LYS 6 7.566 7.700 -3.031
57 HD2 LYS 6 2HD LYS 6 6.167 8.952 -4.221
58 HD3 LYS 6 3HD LYS 6 4.820 8.450 -3.197
59 HE2 LYS 6 2HE LYS 6 4.704 10.493 -2.339
60 HE3 LYS 6 3HE LYS 6 6.362 10.350 -1.757
61 HZ1 LYS 6 3HZ LYS 6 6.100 10.945 -4.577
62 HZ2 LYS 6 1HZ LYS 6 7.142 11.609 -3.422
63 HZ3 LYS 6 2HZ LYS 6 5.549 12.165 -3.543
64 H ALA 7 H ALA 7 3.225 7.807 -0.469
65 HA ALA 7 HA ALA 7 3.759 10.578 -0.619
66 HB1 ALA 7 1HB ALA 7 1.662 9.548 -1.394
67 HB2 ALA 7 2HB ALA 7 1.223 9.217 0.283
68 HB3 ALA 7 3HB ALA 7 1.382 10.883 -0.275
69 H GLN 8 H GLN 8 3.702 8.380 2.010
70 HA GLN 8 HA GLN 8 3.771 10.635 3.905
71 HB2 GLN 8 2HB GLN 8 2.964 8.981 5.619
72 HB3 GLN 8 3HB GLN 8 1.794 9.386 4.371
73 HG2 GLN 8 2HG GLN 8 2.114 7.317 3.270
74 HG3 GLN 8 3HG GLN 8 3.535 6.943 4.244
75 HE21 GLN 8 1HE2 GLN 8 1.939 4.975 4.286
76 HE22 GLN 8 2HE2 GLN 8 0.937 4.903 5.692
77 H GLU 9 H GLU 9 5.564 8.267 2.440
78 HA GLU 9 HA GLU 9 7.354 7.910 4.740
79 HB2 GLU 9 2HB GLU 9 6.423 6.069 2.939
80 HB3 GLU 9 3HB GLU 9 7.993 6.472 2.259
81 HG2 GLU 9 2HG GLU 9 8.577 6.136 4.908
82 HG3 GLU 9 3HG GLU 9 7.317 4.933 4.639
83 H LYS 10 H LYS 10 7.109 9.351 1.594
84 HA LYS 10 HA LYS 10 8.517 10.640 0.352
85 HB2 LYS 10 2HB LYS 10 9.540 11.233 3.130
86 HB3 LYS 10 3HB LYS 10 10.072 12.104 1.698
87 HG2 LYS 10 2HG LYS 10 7.241 11.963 2.716
88 HG3 LYS 10 3HG LYS 10 8.346 13.326 2.909
89 HD2 LYS 10 2HD LYS 10 8.354 12.743 0.174
90 HD3 LYS 10 3HD LYS 10 6.665 12.629 0.672
91 HE2 LYS 10 2HE LYS 10 6.888 14.871 0.129
92 HE3 LYS 10 3HE LYS 10 7.116 14.871 1.877
93 HZ1 LYS 10 3HZ LYS 10 8.815 16.208 1.007
94 HZ2 LYS 10 1HZ LYS 10 9.182 15.112 -0.229
95 HZ3 LYS 10 2HZ LYS 10 9.570 14.740 1.375
Start of MODEL 6
1 H1 TRP 1 H TRP 1 1.550 -0.215 0.617
2 HA TRP 1 HA TRP 1 2.424 -1.047 -1.547
3 HB2 TRP 1 2HB TRP 1 0.146 -0.610 -2.598
4 HB3 TRP 1 3HB TRP 1 0.638 1.076 -2.735
5 HD1 TRP 1 HD1 TRP 1 3.413 -1.379 -3.342
6 HE1 TRP 1 HE1 TRP 1 3.947 -1.478 -5.858
7 HE3 TRP 1 HE3 TRP 1 -0.590 1.254 -5.125
8 HZ2 TRP 1 HZ2 TRP 1 2.820 -0.561 -8.278
9 HZ3 TRP 1 HZ3 TRP 1 -0.788 1.599 -7.553
10 HH2 TRP 1 HH2 TRP 1 0.883 0.710 -9.095
11 H LYS 2 H LYS 2 4.332 -0.174 -2.159
12 HA LYS 2 HA LYS 2 5.443 1.965 -0.822
13 HB2 LYS 2 2HB LYS 2 6.263 1.092 -3.593
14 HB3 LYS 2 3HB LYS 2 7.275 1.848 -2.370
15 HG2 LYS 2 2HG LYS 2 6.203 -0.947 -2.449
16 HG3 LYS 2 3HG LYS 2 7.878 -0.404 -2.328
17 HD2 LYS 2 2HD LYS 2 7.342 0.530 -0.081
18 HD3 LYS 2 3HD LYS 2 5.740 -0.200 -0.209
19 HE2 LYS 2 2HE LYS 2 6.534 -2.320 0.068
20 HE3 LYS 2 3HE LYS 2 8.090 -1.951 -0.675
21 HZ1 LYS 2 3HZ LYS 2 7.292 -0.937 1.994
22 HZ2 LYS 2 1HZ LYS 2 8.833 -0.911 1.296
23 HZ3 LYS 2 2HZ LYS 2 8.146 -2.381 1.773
24 H LEU 3 H LEU 3 4.028 1.939 -4.082
25 HA LEU 3 HA LEU 3 4.500 4.666 -4.633
26 HB2 LEU 3 2HB LEU 3 2.680 2.577 -5.750
27 HB3 LEU 3 3HB LEU 3 2.491 4.257 -6.247
28 HG LEU 3 HG LEU 3 4.455 4.269 -7.436
29 HD11 LEU 3 1HD1 LEU 3 6.330 2.757 -7.062
30 HD12 LEU 3 2HD1 LEU 3 5.419 1.926 -5.801
31 HD13 LEU 3 3HD1 LEU 3 5.897 3.609 -5.580
32 HD21 LEU 3 3HD2 LEU 3 4.199 2.614 -8.957
33 HD22 LEU 3 1HD2 LEU 3 2.735 2.304 -8.024
34 HD23 LEU 3 2HD2 LEU 3 4.184 1.341 -7.736
35 H LEU 4 H LEU 4 2.240 3.109 -2.607
36 HA LEU 4 HA LEU 4 0.453 5.431 -2.584
37 HB2 LEU 4 2HB LEU 4 -0.811 3.483 -2.730
38 HB3 LEU 4 3HB LEU 4 0.224 2.615 -1.598
39 HG LEU 4 HG LEU 4 -1.440 4.921 -0.659
40 HD11 LEU 4 1HD1 LEU 4 -3.172 3.208 -0.042
41 HD12 LEU 4 2HD1 LEU 4 -2.363 2.100 -1.150
42 HD13 LEU 4 3HD1 LEU 4 -3.069 3.597 -1.760
43 HD21 LEU 4 3HD2 LEU 4 -0.137 4.303 1.096
44 HD22 LEU 4 1HD2 LEU 4 0.049 2.646 0.520
45 HD23 LEU 4 2HD2 LEU 4 -1.443 3.138 1.321
46 H SER 5 H SER 5 2.865 3.796 -0.711
47 HA SER 5 HA SER 5 2.223 5.246 1.722
48 HB2 SER 5 2HB SER 5 4.452 3.308 1.061
49 HB3 SER 5 3HB SER 5 4.209 4.041 2.646
50 HG SER 5 HG SER 5 3.181 2.089 2.693
51 H LYS 6 H LYS 6 4.348 5.498 -0.993
52 HA LYS 6 HA LYS 6 6.423 7.036 0.015
53 HB2 LYS 6 2HB LYS 6 5.598 6.193 -2.495
54 HB3 LYS 6 3HB LYS 6 5.530 7.947 -2.608
55 HG2 LYS 6 2HG LYS 6 7.701 7.892 -3.047
56 HG3 LYS 6 3HG LYS 6 7.950 7.447 -1.357
57 HD2 LYS 6 2HD LYS 6 7.380 5.033 -2.332
58 HD3 LYS 6 3HD LYS 6 8.023 5.768 -3.803
59 HE2 LYS 6 2HE LYS 6 9.911 6.547 -2.084
60 HE3 LYS 6 3HE LYS 6 9.383 5.081 -1.260
61 HZ1 LYS 6 3HZ LYS 6 10.576 5.356 -3.946
62 HZ2 LYS 6 1HZ LYS 6 9.662 3.991 -3.539
63 HZ3 LYS 6 2HZ LYS 6 11.063 4.362 -2.666
64 H ALA 7 H ALA 7 3.116 7.856 -0.422
65 HA ALA 7 HA ALA 7 3.357 10.664 -0.663
66 HB1 ALA 7 1HB ALA 7 0.947 10.404 0.492
67 HB2 ALA 7 2HB ALA 7 1.244 10.093 -1.219
68 HB3 ALA 7 3HB ALA 7 1.189 8.752 -0.076
69 H GLN 8 H GLN 8 3.660 8.505 2.010
70 HA GLN 8 HA GLN 8 3.634 10.780 3.880
71 HB2 GLN 8 2HB GLN 8 3.478 7.896 4.714
72 HB3 GLN 8 3HB GLN 8 2.996 9.328 5.615
73 HG2 GLN 8 2HG GLN 8 1.119 9.666 4.110
74 HG3 GLN 8 3HG GLN 8 1.615 8.266 3.160
75 HE21 GLN 8 1HE2 GLN 8 0.167 9.366 6.110
76 HE22 GLN 8 2HE2 GLN 8 -0.434 7.832 6.630
77 H GLU 9 H GLU 9 5.686 8.849 2.175
78 HA GLU 9 HA GLU 9 7.728 8.713 4.268
79 HB2 GLU 9 2HB GLU 9 7.168 6.754 2.706
80 HB3 GLU 9 3HB GLU 9 8.001 7.668 1.457
81 HG2 GLU 9 2HG GLU 9 9.982 7.740 3.037
82 HG3 GLU 9 3HG GLU 9 9.131 6.525 3.989
83 H LYS 10 H LYS 10 6.957 10.318 1.267
84 HA LYS 10 HA LYS 10 7.930 12.033 0.132
85 HB2 LYS 10 2HB LYS 10 8.195 12.599 2.915
86 HB3 LYS 10 3HB LYS 10 9.656 13.148 2.104
87 HG2 LYS 10 2HG LYS 10 8.348 15.014 1.946
88 HG3 LYS 10 3HG LYS 10 7.961 14.215 0.421
89 HD2 LYS 10 2HD LYS 10 5.815 14.158 0.993
90 HD3 LYS 10 3HD LYS 10 6.215 13.198 2.419
91 HE2 LYS 10 2HE LYS 10 6.226 16.209 2.233
92 HE3 LYS 10 3HE LYS 10 5.007 15.222 3.038
93 HZ1 LYS 10 3HZ LYS 10 6.243 15.210 4.858
94 HZ2 LYS 10 1HZ LYS 10 7.377 16.215 4.106
95 HZ3 LYS 10 2HZ LYS 10 7.550 14.535 4.023
Start of MODEL 7
1 H1 TRP 1 H TRP 1 2.397 -0.068 1.125
2 HA TRP 1 HA TRP 1 3.543 -0.817 -0.941
3 HB2 TRP 1 2HB TRP 1 1.298 -0.914 -2.127
4 HB3 TRP 1 3HB TRP 1 1.430 0.831 -2.331
5 HD1 TRP 1 HD1 TRP 1 4.681 -1.026 -2.675
6 HE1 TRP 1 HE1 TRP 1 5.372 -1.105 -5.153
7 HE3 TRP 1 HE3 TRP 1 0.346 0.681 -4.779
8 HZ2 TRP 1 HZ2 TRP 1 4.230 -0.519 -7.667
9 HZ3 TRP 1 HZ3 TRP 1 0.228 0.893 -7.228
10 HH2 TRP 1 HH2 TRP 1 2.131 0.306 -8.640
11 H LYS 2 H LYS 2 5.264 0.398 -1.540
12 HA LYS 2 HA LYS 2 5.853 2.779 -0.278
13 HB2 LYS 2 2HB LYS 2 6.970 1.926 -2.952
14 HB3 LYS 2 3HB LYS 2 7.739 2.976 -1.770
15 HG2 LYS 2 2HG LYS 2 7.323 0.016 -1.670
16 HG3 LYS 2 3HG LYS 2 8.815 0.941 -1.486
17 HD2 LYS 2 2HD LYS 2 7.901 1.857 0.646
18 HD3 LYS 2 3HD LYS 2 6.529 0.759 0.474
19 HE2 LYS 2 2HE LYS 2 9.383 -0.192 0.490
20 HE3 LYS 2 3HE LYS 2 8.432 -0.018 1.964
21 HZ1 LYS 2 3HZ LYS 2 7.984 -2.172 1.470
22 HZ2 LYS 2 1HZ LYS 2 8.168 -1.964 -0.199
23 HZ3 LYS 2 2HZ LYS 2 6.748 -1.455 0.564
24 H LEU 3 H LEU 3 4.494 2.278 -3.508
25 HA LEU 3 HA LEU 3 4.463 5.048 -4.187
26 HB2 LEU 3 2HB LEU 3 3.253 2.571 -5.339
27 HB3 LEU 3 3HB LEU 3 2.741 4.153 -5.923
28 HG LEU 3 HG LEU 3 4.782 4.591 -6.918
29 HD11 LEU 3 1HD1 LEU 3 6.866 3.472 -6.389
30 HD12 LEU 3 2HD1 LEU 3 6.035 2.416 -5.247
31 HD13 LEU 3 3HD1 LEU 3 6.148 4.147 -4.927
32 HD21 LEU 3 3HD2 LEU 3 4.921 2.957 -8.468
33 HD22 LEU 3 1HD2 LEU 3 3.502 2.333 -7.626
34 HD23 LEU 3 2HD2 LEU 3 5.099 1.679 -7.264
35 H LEU 4 H LEU 4 2.513 3.100 -2.206
36 HA LEU 4 HA LEU 4 0.229 4.927 -2.421
37 HB2 LEU 4 2HB LEU 4 -0.200 2.503 -2.582
38 HB3 LEU 4 3HB LEU 4 0.459 2.300 -0.960
39 HG LEU 4 HG LEU 4 -2.096 2.329 -1.266
40 HD11 LEU 4 1HD1 LEU 4 -0.369 3.248 0.805
41 HD12 LEU 4 2HD1 LEU 4 -1.948 2.475 0.938
42 HD13 LEU 4 3HD1 LEU 4 -1.835 4.230 0.805
43 HD21 LEU 4 3HD2 LEU 4 -3.130 4.520 -1.241
44 HD22 LEU 4 1HD2 LEU 4 -2.150 4.332 -2.696
45 HD23 LEU 4 2HD2 LEU 4 -1.549 5.295 -1.346
46 H SER 5 H SER 5 2.852 4.032 -0.375
47 HA SER 5 HA SER 5 1.704 5.476 1.902
48 HB2 SER 5 2HB SER 5 4.136 3.695 1.662
49 HB3 SER 5 3HB SER 5 3.715 4.578 3.129
50 HG SER 5 HG SER 5 2.683 2.267 2.148
51 H LYS 6 H LYS 6 3.967 5.813 -0.644
52 HA LYS 6 HA LYS 6 5.850 7.560 0.400
53 HB2 LYS 6 2HB LYS 6 6.300 6.818 -1.762
54 HB3 LYS 6 3HB LYS 6 4.679 7.190 -2.334
55 HG2 LYS 6 2HG LYS 6 6.254 9.505 -1.442
56 HG3 LYS 6 3HG LYS 6 6.863 8.675 -2.875
57 HD2 LYS 6 2HD LYS 6 5.296 9.639 -4.122
58 HD3 LYS 6 3HD LYS 6 4.033 8.940 -3.105
59 HE2 LYS 6 2HE LYS 6 3.554 10.954 -2.307
60 HE3 LYS 6 3HE LYS 6 5.199 11.111 -1.695
61 HZ1 LYS 6 3HZ LYS 6 4.040 12.128 -4.189
62 HZ2 LYS 6 1HZ LYS 6 5.683 11.723 -4.172
63 HZ3 LYS 6 2HZ LYS 6 5.088 12.888 -3.100
64 H ALA 7 H ALA 7 2.516 8.102 -0.386
65 HA ALA 7 HA ALA 7 2.573 10.919 -0.605
66 HB1 ALA 7 1HB ALA 7 0.693 9.602 -1.407
67 HB2 ALA 7 2HB ALA 7 0.313 9.112 0.244
68 HB3 ALA 7 3HB ALA 7 0.155 10.803 -0.232
69 H GLN 8 H GLN 8 2.839 8.809 2.083
70 HA GLN 8 HA GLN 8 2.485 11.089 3.916
71 HB2 GLN 8 2HB GLN 8 1.928 9.377 5.663
72 HB3 GLN 8 3HB GLN 8 0.740 9.521 4.374
73 HG2 GLN 8 2HG GLN 8 1.516 7.515 3.339
74 HG3 GLN 8 3HG GLN 8 2.885 7.416 4.444
75 HE21 GLN 8 1HE2 GLN 8 1.047 5.349 4.046
76 HE22 GLN 8 2HE2 GLN 8 0.177 5.099 5.518
77 H GLU 9 H GLU 9 4.685 9.026 2.546
78 HA GLU 9 HA GLU 9 6.457 9.008 4.883
79 HB2 GLU 9 2HB GLU 9 6.765 7.595 2.228
80 HB3 GLU 9 3HB GLU 9 7.817 7.410 3.624
81 HG2 GLU 9 2HG GLU 9 5.151 6.900 4.451
82 HG3 GLU 9 3HG GLU 9 5.465 5.979 2.982
83 H LYS 10 H LYS 10 6.915 9.435 1.372
84 HA LYS 10 HA LYS 10 9.063 11.333 1.916
85 HB2 LYS 10 2HB LYS 10 8.129 10.124 -0.694
86 HB3 LYS 10 3HB LYS 10 9.543 11.149 -0.494
87 HG2 LYS 10 2HG LYS 10 9.176 8.497 0.880
88 HG3 LYS 10 3HG LYS 10 10.047 8.722 -0.640
89 HD2 LYS 10 2HD LYS 10 11.003 10.617 1.272
90 HD3 LYS 10 3HD LYS 10 11.025 9.008 1.997
91 HE2 LYS 10 2HE LYS 10 13.117 9.243 0.952
92 HE3 LYS 10 3HE LYS 10 12.169 8.230 -0.135
93 HZ1 LYS 10 3HZ LYS 10 11.687 10.817 -0.935
94 HZ2 LYS 10 1HZ LYS 10 12.662 9.679 -1.720
95 HZ3 LYS 10 2HZ LYS 10 13.348 10.768 -0.623
Start of MODEL 8
1 H1 TRP 1 H TRP 1 1.443 0.039 0.807
2 HA TRP 1 HA TRP 1 2.392 -0.819 -1.315
3 HB2 TRP 1 2HB TRP 1 0.173 -0.362 -2.467
4 HB3 TRP 1 3HB TRP 1 0.678 1.322 -2.578
5 HD1 TRP 1 HD1 TRP 1 3.453 -1.164 -3.077
6 HE1 TRP 1 HE1 TRP 1 4.098 -1.249 -5.567
7 HE3 TRP 1 HE3 TRP 1 -0.428 1.542 -5.013
8 HZ2 TRP 1 HZ2 TRP 1 3.095 -0.294 -8.027
9 HZ3 TRP 1 HZ3 TRP 1 -0.511 1.912 -7.444
10 HH2 TRP 1 HH2 TRP 1 1.215 1.012 -8.918
11 H LYS 2 H LYS 2 4.334 0.024 -1.863
12 HA LYS 2 HA LYS 2 5.431 2.145 -0.486
13 HB2 LYS 2 2HB LYS 2 6.194 0.635 -2.933
14 HB3 LYS 2 3HB LYS 2 7.047 2.140 -2.615
15 HG2 LYS 2 2HG LYS 2 8.081 -0.011 -1.732
16 HG3 LYS 2 3HG LYS 2 7.946 1.347 -0.611
17 HD2 LYS 2 2HD LYS 2 5.987 0.376 0.403
18 HD3 LYS 2 3HD LYS 2 5.963 -0.920 -0.796
19 HE2 LYS 2 2HE LYS 2 8.300 -0.458 1.039
20 HE3 LYS 2 3HE LYS 2 6.934 -1.478 1.489
21 HZ1 LYS 2 3HZ LYS 2 7.875 -2.166 -1.091
22 HZ2 LYS 2 1HZ LYS 2 7.759 -3.131 0.294
23 HZ3 LYS 2 2HZ LYS 2 9.152 -2.211 0.018
24 H LEU 3 H LEU 3 4.095 2.145 -3.777
25 HA LEU 3 HA LEU 3 4.630 4.878 -4.292
26 HB2 LEU 3 2HB LEU 3 2.859 2.808 -5.520
27 HB3 LEU 3 3HB LEU 3 2.712 4.493 -6.014
28 HG LEU 3 HG LEU 3 4.776 4.504 -7.054
29 HD11 LEU 3 1HD1 LEU 3 6.045 3.669 -5.125
30 HD12 LEU 3 2HD1 LEU 3 6.564 2.924 -6.637
31 HD13 LEU 3 3HD1 LEU 3 5.540 2.025 -5.518
32 HD21 LEU 3 3HD2 LEU 3 4.431 1.619 -7.538
33 HD22 LEU 3 1HD2 LEU 3 4.501 2.964 -8.676
34 HD23 LEU 3 2HD2 LEU 3 3.004 2.620 -7.810
35 H LEU 4 H LEU 4 2.273 3.309 -2.393
36 HA LEU 4 HA LEU 4 0.490 5.635 -2.440
37 HB2 LEU 4 2HB LEU 4 -0.524 3.421 -2.714
38 HB3 LEU 4 3HB LEU 4 0.136 2.930 -1.155
39 HG LEU 4 HG LEU 4 -2.352 3.592 -1.311
40 HD11 LEU 4 1HD1 LEU 4 -0.370 3.887 0.724
41 HD12 LEU 4 2HD1 LEU 4 -2.074 3.465 0.882
42 HD13 LEU 4 3HD1 LEU 4 -1.580 5.157 0.898
43 HD21 LEU 4 3HD2 LEU 4 -1.493 5.823 -2.476
44 HD22 LEU 4 1HD2 LEU 4 -1.442 6.367 -0.799
45 HD23 LEU 4 2HD2 LEU 4 -2.954 5.777 -1.488
46 H SER 5 H SER 5 2.864 4.051 -0.512
47 HA SER 5 HA SER 5 2.097 5.532 1.889
48 HB2 SER 5 2HB SER 5 4.268 3.462 1.473
49 HB3 SER 5 3HB SER 5 3.832 4.191 3.018
50 HG SER 5 HG SER 5 2.438 2.632 3.145
51 H LYS 6 H LYS 6 4.327 5.633 -0.719
52 HA LYS 6 HA LYS 6 6.521 6.935 0.327
53 HB2 LYS 6 2HB LYS 6 5.534 6.362 -2.228
54 HB3 LYS 6 3HB LYS 6 5.754 8.107 -2.209
55 HG2 LYS 6 2HG LYS 6 7.887 7.736 -2.684
56 HG3 LYS 6 3HG LYS 6 8.065 7.119 -1.040
57 HD2 LYS 6 2HD LYS 6 8.893 5.380 -2.337
58 HD3 LYS 6 3HD LYS 6 7.224 4.886 -2.043
59 HE2 LYS 6 2HE LYS 6 6.565 5.368 -4.208
60 HE3 LYS 6 3HE LYS 6 7.898 6.491 -4.472
61 HZ1 LYS 6 3HZ LYS 6 8.118 4.347 -5.668
62 HZ2 LYS 6 1HZ LYS 6 8.244 3.559 -4.176
63 HZ3 LYS 6 2HZ LYS 6 9.419 4.684 -4.641
64 H ALA 7 H ALA 7 3.305 8.120 -0.118
65 HA ALA 7 HA ALA 7 3.794 10.884 -0.188
66 HB1 ALA 7 1HB ALA 7 1.602 10.820 -0.521
67 HB2 ALA 7 2HB ALA 7 1.521 9.157 0.063
68 HB3 ALA 7 3HB ALA 7 1.385 10.499 1.200
69 H GLN 8 H GLN 8 3.856 8.590 2.417
70 HA GLN 8 HA GLN 8 4.155 10.780 4.359
71 HB2 GLN 8 2HB GLN 8 3.422 9.319 6.061
72 HB3 GLN 8 3HB GLN 8 2.344 9.023 4.704
73 HG2 GLN 8 2HG GLN 8 4.460 7.232 4.376
74 HG3 GLN 8 3HG GLN 8 4.077 7.206 6.096
75 HE21 GLN 8 1HE2 GLN 8 3.044 5.313 6.284
76 HE22 GLN 8 2HE2 GLN 8 1.602 4.887 5.433
77 H GLU 9 H GLU 9 5.947 8.705 2.534
78 HA GLU 9 HA GLU 9 8.053 8.425 4.567
79 HB2 GLU 9 2HB GLU 9 7.030 6.524 2.894
80 HB3 GLU 9 3HB GLU 9 8.429 7.073 1.981
81 HG2 GLU 9 2HG GLU 9 9.116 6.664 4.744
82 HG3 GLU 9 3HG GLU 9 8.380 5.217 4.057
83 H LYS 10 H LYS 10 7.388 10.868 3.022
84 HA LYS 10 HA LYS 10 9.242 11.322 0.969
85 HB2 LYS 10 2HB LYS 10 7.852 13.188 2.887
86 HB3 LYS 10 3HB LYS 10 8.920 13.770 1.616
87 HG2 LYS 10 2HG LYS 10 7.482 13.107 -0.076
88 HG3 LYS 10 3HG LYS 10 6.630 11.961 0.963
89 HD2 LYS 10 2HD LYS 10 5.425 13.642 2.034
90 HD3 LYS 10 3HD LYS 10 6.563 14.900 1.548
91 HE2 LYS 10 2HE LYS 10 5.624 15.145 -0.505
92 HE3 LYS 10 3HE LYS 10 5.179 13.443 -0.623
93 HZ1 LYS 10 3HZ LYS 10 3.141 14.394 -0.355
94 HZ2 LYS 10 1HZ LYS 10 3.716 15.667 0.601
95 HZ3 LYS 10 2HZ LYS 10 3.527 14.125 1.270
Start of MODEL 9
1 H1 TRP 1 H TRP 1 2.425 -0.145 0.986
2 HA TRP 1 HA TRP 1 3.539 -0.847 -1.113
3 HB2 TRP 1 2HB TRP 1 1.276 -0.920 -2.266
4 HB3 TRP 1 3HB TRP 1 1.404 0.829 -2.433
5 HD1 TRP 1 HD1 TRP 1 4.650 -1.017 -2.870
6 HE1 TRP 1 HE1 TRP 1 5.301 -1.040 -5.360
7 HE3 TRP 1 HE3 TRP 1 0.282 0.733 -4.867
8 HZ2 TRP 1 HZ2 TRP 1 4.120 -0.399 -7.842
9 HZ3 TRP 1 HZ3 TRP 1 0.124 1.000 -7.308
10 HH2 TRP 1 HH2 TRP 1 2.005 0.445 -8.763
11 H LYS 2 H LYS 2 5.250 0.381 -1.713
12 HA LYS 2 HA LYS 2 5.859 2.734 -0.408
13 HB2 LYS 2 2HB LYS 2 6.932 1.941 -3.119
14 HB3 LYS 2 3HB LYS 2 7.721 2.965 -1.926
15 HG2 LYS 2 2HG LYS 2 7.307 0.004 -1.885
16 HG3 LYS 2 3HG LYS 2 8.802 0.925 -1.705
17 HD2 LYS 2 2HD LYS 2 7.921 1.793 0.462
18 HD3 LYS 2 3HD LYS 2 6.547 0.699 0.287
19 HE2 LYS 2 2HE LYS 2 7.793 -0.801 1.373
20 HE3 LYS 2 3HE LYS 2 8.717 -0.946 -0.121
21 HZ1 LYS 2 3HZ LYS 2 10.478 -0.054 0.857
22 HZ2 LYS 2 1HZ LYS 2 9.656 -0.126 2.334
23 HZ3 LYS 2 2HZ LYS 2 9.596 1.283 1.400
24 H LEU 3 H LEU 3 4.447 2.303 -3.625
25 HA LEU 3 HA LEU 3 4.404 5.089 -4.242
26 HB2 LEU 3 2HB LEU 3 3.177 2.636 -5.430
27 HB3 LEU 3 3HB LEU 3 2.655 4.230 -5.971
28 HG LEU 3 HG LEU 3 4.681 4.694 -6.986
29 HD11 LEU 3 1HD1 LEU 3 5.960 2.478 -5.392
30 HD12 LEU 3 2HD1 LEU 3 6.076 4.199 -5.026
31 HD13 LEU 3 3HD1 LEU 3 6.773 3.566 -6.518
32 HD21 LEU 3 3HD2 LEU 3 4.992 1.793 -7.408
33 HD22 LEU 3 1HD2 LEU 3 4.793 3.099 -8.577
34 HD23 LEU 3 2HD2 LEU 3 3.387 2.454 -7.728
35 H LEU 4 H LEU 4 2.488 3.095 -2.274
36 HA LEU 4 HA LEU 4 0.199 4.926 -2.412
37 HB2 LEU 4 2HB LEU 4 -0.276 2.535 -2.629
38 HB3 LEU 4 3HB LEU 4 0.473 2.244 -1.061
39 HG LEU 4 HG LEU 4 -2.098 2.307 -1.225
40 HD11 LEU 4 1HD1 LEU 4 -0.246 3.099 0.797
41 HD12 LEU 4 2HD1 LEU 4 -1.810 2.303 0.970
42 HD13 LEU 4 3HD1 LEU 4 -1.716 4.064 0.943
43 HD21 LEU 4 3HD2 LEU 4 -1.871 5.226 -0.776
44 HD22 LEU 4 1HD2 LEU 4 -3.191 4.282 -1.466
45 HD23 LEU 4 2HD2 LEU 4 -1.770 4.654 -2.442
46 H SER 5 H SER 5 2.857 3.989 -0.432
47 HA SER 5 HA SER 5 1.744 5.374 1.899
48 HB2 SER 5 2HB SER 5 4.174 3.603 1.577
49 HB3 SER 5 3HB SER 5 3.774 4.450 3.071
50 HG SER 5 HG SER 5 2.925 2.384 3.171
51 H LYS 6 H LYS 6 3.969 5.772 -0.673
52 HA LYS 6 HA LYS 6 5.864 7.499 0.383
53 HB2 LYS 6 2HB LYS 6 6.285 6.806 -1.800
54 HB3 LYS 6 3HB LYS 6 4.656 7.188 -2.342
55 HG2 LYS 6 2HG LYS 6 6.240 9.485 -1.420
56 HG3 LYS 6 3HG LYS 6 6.832 8.688 -2.879
57 HD2 LYS 6 2HD LYS 6 5.248 9.677 -4.083
58 HD3 LYS 6 3HD LYS 6 3.999 8.952 -3.068
59 HE2 LYS 6 2HE LYS 6 3.526 10.947 -2.217
60 HE3 LYS 6 3HE LYS 6 5.180 11.094 -1.624
61 HZ1 LYS 6 3HZ LYS 6 5.513 11.698 -4.195
62 HZ2 LYS 6 1HZ LYS 6 5.202 12.854 -2.999
63 HZ3 LYS 6 2HZ LYS 6 3.940 12.276 -3.965
64 H ALA 7 H ALA 7 2.520 8.053 -0.345
65 HA ALA 7 HA ALA 7 2.569 10.873 -0.502
66 HB1 ALA 7 1HB ALA 7 0.133 10.699 0.022
67 HB2 ALA 7 2HB ALA 7 0.663 9.697 -1.330
68 HB3 ALA 7 3HB ALA 7 0.362 8.965 0.246
69 H GLN 8 H GLN 8 2.885 8.709 2.133
70 HA GLN 8 HA GLN 8 2.544 10.946 4.022
71 HB2 GLN 8 2HB GLN 8 2.271 8.064 4.824
72 HB3 GLN 8 3HB GLN 8 1.685 9.498 5.656
73 HG2 GLN 8 2HG GLN 8 0.613 8.439 3.050
74 HG3 GLN 8 3HG GLN 8 -0.120 8.194 4.634
75 HE21 GLN 8 1HE2 GLN 8 -0.389 10.360 5.862
76 HE22 GLN 8 2HE2 GLN 8 -1.116 11.633 4.947
77 H GLU 9 H GLU 9 4.729 8.898 2.583
78 HA GLU 9 HA GLU 9 6.580 9.030 4.868
79 HB2 GLU 9 2HB GLU 9 5.918 6.903 3.128
80 HB3 GLU 9 3HB GLU 9 7.563 7.382 2.732
81 HG2 GLU 9 2HG GLU 9 6.720 6.886 5.562
82 HG3 GLU 9 3HG GLU 9 7.222 5.571 4.502
83 H LYS 10 H LYS 10 6.790 9.007 1.305
84 HA LYS 10 HA LYS 10 9.006 10.919 1.489
85 HB2 LYS 10 2HB LYS 10 8.171 8.871 -0.510
86 HB3 LYS 10 3HB LYS 10 9.035 10.287 -1.095
87 HG2 LYS 10 2HG LYS 10 10.982 9.519 -0.353
88 HG3 LYS 10 3HG LYS 10 10.311 9.132 1.234
89 HD2 LYS 10 2HD LYS 10 9.203 7.153 -0.162
90 HD3 LYS 10 3HD LYS 10 10.626 7.422 -1.171
91 HE2 LYS 10 2HE LYS 10 10.822 7.087 1.808
92 HE3 LYS 10 3HE LYS 10 10.819 5.706 0.712
93 HZ1 LYS 10 3HZ LYS 10 12.970 6.027 0.389
94 HZ2 LYS 10 1HZ LYS 10 12.960 7.388 1.393
95 HZ3 LYS 10 2HZ LYS 10 12.661 7.557 -0.263
Start of MODEL 10
1 H1 TRP 1 H TRP 1 2.004 -0.066 0.883
2 HA TRP 1 HA TRP 1 3.176 -0.678 -1.212
3 HB2 TRP 1 2HB TRP 1 0.930 -0.662 -2.422
4 HB3 TRP 1 3HB TRP 1 1.115 1.087 -2.530
5 HD1 TRP 1 HD1 TRP 1 4.330 -0.810 -2.923
6 HE1 TRP 1 HE1 TRP 1 5.052 -0.788 -5.393
7 HE3 TRP 1 HE3 TRP 1 0.048 1.055 -5.004
8 HZ2 TRP 1 HZ2 TRP 1 3.953 -0.074 -7.893
9 HZ3 TRP 1 HZ3 TRP 1 -0.034 1.378 -7.441
10 HH2 TRP 1 HH2 TRP 1 1.879 0.825 -8.854
11 H LYS 2 H LYS 2 4.920 0.555 -1.676
12 HA LYS 2 HA LYS 2 5.485 2.854 -0.256
13 HB2 LYS 2 2HB LYS 2 6.667 1.547 -2.657
14 HB3 LYS 2 3HB LYS 2 7.183 3.186 -2.284
15 HG2 LYS 2 2HG LYS 2 8.600 1.318 -1.353
16 HG3 LYS 2 3HG LYS 2 8.070 2.548 -0.202
17 HD2 LYS 2 2HD LYS 2 6.311 1.094 0.598
18 HD3 LYS 2 3HD LYS 2 6.711 -0.114 -0.625
19 HE2 LYS 2 2HE LYS 2 8.240 -1.009 0.714
20 HE3 LYS 2 3HE LYS 2 9.067 0.542 0.852
21 HZ1 LYS 2 3HZ LYS 2 7.206 1.046 2.549
22 HZ2 LYS 2 1HZ LYS 2 8.510 0.077 3.020
23 HZ3 LYS 2 2HZ LYS 2 7.029 -0.635 2.619
24 H LEU 3 H LEU 3 4.347 2.574 -3.608
25 HA LEU 3 HA LEU 3 4.345 5.347 -4.152
26 HB2 LEU 3 2HB LEU 3 3.050 2.956 -5.387
27 HB3 LEU 3 3HB LEU 3 2.581 4.571 -5.913
28 HG LEU 3 HG LEU 3 4.595 4.969 -6.944
29 HD11 LEU 3 1HD1 LEU 3 5.858 2.835 -5.229
30 HD12 LEU 3 2HD1 LEU 3 5.986 4.575 -4.975
31 HD13 LEU 3 3HD1 LEU 3 6.688 3.841 -6.416
32 HD21 LEU 3 3HD2 LEU 3 3.329 2.724 -7.658
33 HD22 LEU 3 1HD2 LEU 3 4.902 2.043 -7.243
34 HD23 LEU 3 2HD2 LEU 3 4.784 3.305 -8.469
35 H LEU 4 H LEU 4 2.286 3.393 -2.271
36 HA LEU 4 HA LEU 4 0.108 5.358 -2.397
37 HB2 LEU 4 2HB LEU 4 -0.058 2.690 -2.524
38 HB3 LEU 4 3HB LEU 4 -0.159 2.896 -0.777
39 HG LEU 4 HG LEU 4 -2.077 3.793 -2.897
40 HD11 LEU 4 1HD1 LEU 4 -2.899 1.830 -2.141
41 HD12 LEU 4 2HD1 LEU 4 -3.541 2.855 -0.858
42 HD13 LEU 4 3HD1 LEU 4 -2.054 1.942 -0.597
43 HD21 LEU 4 3HD2 LEU 4 -1.940 4.829 -0.067
44 HD22 LEU 4 1HD2 LEU 4 -3.245 5.126 -1.215
45 HD23 LEU 4 2HD2 LEU 4 -1.631 5.764 -1.531
46 H SER 5 H SER 5 2.628 4.144 -0.375
47 HA SER 5 HA SER 5 1.530 5.445 2.000
48 HB2 SER 5 2HB SER 5 4.065 3.819 1.692
49 HB3 SER 5 3HB SER 5 3.362 4.373 3.211
50 HG SER 5 HG SER 5 2.804 2.160 1.834
51 H LYS 6 H LYS 6 3.655 6.077 -0.565
52 HA LYS 6 HA LYS 6 5.642 7.648 0.549
53 HB2 LYS 6 2HB LYS 6 4.757 7.049 -2.021
54 HB3 LYS 6 3HB LYS 6 4.614 8.799 -1.916
55 HG2 LYS 6 2HG LYS 6 6.770 8.902 -2.417
56 HG3 LYS 6 3HG LYS 6 7.097 8.248 -0.810
57 HD2 LYS 6 2HD LYS 6 8.241 6.782 -2.197
58 HD3 LYS 6 3HD LYS 6 6.707 5.946 -1.939
59 HE2 LYS 6 2HE LYS 6 7.347 5.866 -4.284
60 HE3 LYS 6 3HE LYS 6 5.880 6.820 -4.072
61 HZ1 LYS 6 3HZ LYS 6 6.914 8.716 -4.681
62 HZ2 LYS 6 1HZ LYS 6 7.931 7.649 -5.511
63 HZ3 LYS 6 2HZ LYS 6 8.403 8.273 -4.012
64 H ALA 7 H ALA 7 2.268 8.294 0.233
65 HA ALA 7 HA ALA 7 2.308 11.110 0.334
66 HB1 ALA 7 1HB ALA 7 -0.033 10.518 1.540
67 HB2 ALA 7 2HB ALA 7 0.213 10.485 -0.206
68 HB3 ALA 7 3HB ALA 7 0.305 8.991 0.726
69 H GLN 8 H GLN 8 2.805 8.687 2.751
70 HA GLN 8 HA GLN 8 2.781 10.765 4.839
71 HB2 GLN 8 2HB GLN 8 2.596 8.746 6.412
72 HB3 GLN 8 3HB GLN 8 1.168 9.190 5.486
73 HG2 GLN 8 2HG GLN 8 1.607 7.420 3.898
74 HG3 GLN 8 3HG GLN 8 3.098 7.004 4.742
75 HE21 GLN 8 1HE2 GLN 8 1.758 4.910 4.574
76 HE22 GLN 8 2HE2 GLN 8 0.795 4.536 5.958
77 H GLU 9 H GLU 9 4.811 9.089 2.905
78 HA GLU 9 HA GLU 9 6.873 8.661 4.937
79 HB2 GLU 9 2HB GLU 9 6.375 6.904 3.203
80 HB3 GLU 9 3HB GLU 9 7.004 8.012 1.991
81 HG2 GLU 9 2HG GLU 9 8.888 6.830 2.371
82 HG3 GLU 9 3HG GLU 9 9.079 8.031 3.647
83 H LYS 10 H LYS 10 6.572 10.206 1.737
84 HA LYS 10 HA LYS 10 8.969 11.757 2.169
85 HB2 LYS 10 2HB LYS 10 6.935 11.854 -0.066
86 HB3 LYS 10 3HB LYS 10 8.472 12.708 -0.055
87 HG2 LYS 10 2HG LYS 10 8.278 9.719 0.165
88 HG3 LYS 10 3HG LYS 10 8.385 10.564 -1.381
89 HD2 LYS 10 2HD LYS 10 10.428 11.702 0.035
90 HD3 LYS 10 3HD LYS 10 10.451 10.039 0.627
91 HE2 LYS 10 2HE LYS 10 10.215 10.467 -2.302
92 HE3 LYS 10 3HE LYS 10 11.776 10.789 -1.550
93 HZ1 LYS 10 3HZ LYS 10 10.277 8.240 -1.620
94 HZ2 LYS 10 1HZ LYS 10 11.544 8.504 -0.532
95 HZ3 LYS 10 2HZ LYS 10 11.835 8.555 -2.197
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