Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
626658 | 5xes RC | 36074 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H THR 1 1.806 0.001 0.856
2 HA THR 1 HA THR 1 1.405 0.162 -2.057
3 HB THR 1 HB THR 1 4.120 0.698 -1.131
4 HG1 THR 1 HG1 THR 1 3.012 1.592 0.656
5 HG21 THR 1 1HG2 THR 1 4.113 2.113 -2.890
6 HG22 THR 1 2HG2 THR 1 2.544 2.796 -2.463
7 HG23 THR 1 3HG2 THR 1 2.633 1.263 -3.331
8 H VAL 2 H VAL 2 3.668 -0.647 -3.117
9 HA VAL 2 HA VAL 2 3.785 -3.473 -2.399
10 HB VAL 2 HB VAL 2 5.296 -2.369 -4.720
11 HG11 VAL 2 1HG1 VAL 2 5.397 -4.514 -5.298
12 HG12 VAL 2 2HG1 VAL 2 4.650 -4.905 -3.748
13 HG13 VAL 2 3HG1 VAL 2 3.646 -4.686 -5.182
14 HG21 VAL 2 1HG2 VAL 2 3.158 -2.630 -6.072
15 HG22 VAL 2 2HG2 VAL 2 2.301 -2.554 -4.533
16 HG23 VAL 2 3HG2 VAL 2 3.286 -1.190 -5.062
17 H TYR 3 H TYR 3 6.205 -1.068 -3.446
18 HA TYR 3 HA TYR 3 8.429 -2.449 -2.478
19 HB2 TYR 3 2HB TYR 3 7.934 0.018 -3.764
20 HB3 TYR 3 3HB TYR 3 8.880 0.385 -2.326
21 HD1 TYR 3 HD1 TYR 3 11.189 0.203 -2.421
22 HD2 TYR 3 HD2 TYR 3 8.837 -1.951 -5.237
23 HE1 TYR 3 HE1 TYR 3 13.238 -0.501 -3.584
24 HE2 TYR 3 HE2 TYR 3 10.880 -2.663 -6.407
25 HH TYR 3 HH TYR 3 13.148 -2.817 -6.225
26 H VAL 4 H VAL 4 6.192 -0.300 -0.877
27 HA VAL 4 HA VAL 4 7.760 0.186 1.443
28 HB VAL 4 HB VAL 4 4.772 0.338 1.032
29 HG11 VAL 4 1HG1 VAL 4 6.466 1.287 3.340
30 HG12 VAL 4 2HG1 VAL 4 4.772 1.716 3.089
31 HG13 VAL 4 3HG1 VAL 4 5.224 0.036 3.382
32 HG21 VAL 4 1HG2 VAL 4 5.375 2.117 -0.190
33 HG22 VAL 4 2HG2 VAL 4 5.711 2.885 1.362
34 HG23 VAL 4 3HG2 VAL 4 7.017 2.122 0.454
35 H TYR 5 H TYR 5 5.573 -2.360 0.474
36 HA TYR 5 HA TYR 5 5.495 -3.519 3.133
37 HB2 TYR 5 2HB TYR 5 3.490 -3.611 1.721
38 HB3 TYR 5 3HB TYR 5 4.376 -4.532 0.510
39 HD1 TYR 5 HD1 TYR 5 4.164 -6.831 0.525
40 HD2 TYR 5 HD2 TYR 5 3.515 -4.692 4.145
41 HE1 TYR 5 HE1 TYR 5 3.520 -8.926 1.640
42 HE2 TYR 5 HE2 TYR 5 2.870 -6.781 5.271
43 HH TYR 5 HH TYR 5 2.107 -9.587 3.642
44 H SER 6 H SER 6 7.497 -3.646 0.410
45 HA SER 6 HA SER 6 8.448 -6.350 0.933
46 HB2 SER 6 2HB SER 6 8.954 -4.314 -1.212
47 HB3 SER 6 3HB SER 6 10.086 -5.647 -0.983
48 HG SER 6 HG SER 6 8.638 -7.022 -1.710
49 H ARG 7 H ARG 7 9.185 -3.125 1.783
50 HA ARG 7 HA ARG 7 11.973 -3.337 2.182
51 HB2 ARG 7 2HB ARG 7 11.819 -1.289 3.363
52 HB3 ARG 7 3HB ARG 7 10.591 -1.212 2.106
53 HG2 ARG 7 2HG ARG 7 9.326 -0.478 3.820
54 HG3 ARG 7 3HG ARG 7 9.105 -2.208 4.090
55 HD2 ARG 7 2HD ARG 7 9.850 -1.837 6.160
56 HD3 ARG 7 3HD ARG 7 11.446 -1.651 5.432
57 HE ARG 7 HE ARG 7 10.081 0.804 5.316
58 HH11 ARG 7 1HH1 ARG 7 11.571 -1.341 7.617
59 HH12 ARG 7 2HH1 ARG 7 11.975 -0.077 8.731
60 HH21 ARG 7 1HH2 ARG 7 10.608 2.477 6.773
61 HH22 ARG 7 2HH2 ARG 7 11.426 2.095 8.250
62 H VAL 8 H VAL 8 9.217 -4.286 4.095
63 HA VAL 8 HA VAL 8 10.373 -4.517 6.616
64 HB VAL 8 HB VAL 8 8.338 -6.431 5.474
65 HG11 VAL 8 1HG1 VAL 8 7.622 -6.033 8.032
66 HG12 VAL 8 2HG1 VAL 8 8.716 -7.319 7.519
67 HG13 VAL 8 3HG1 VAL 8 9.366 -5.815 8.172
68 HG21 VAL 8 1HG2 VAL 8 6.792 -4.680 6.715
69 HG22 VAL 8 2HG2 VAL 8 8.107 -3.583 6.296
70 HG23 VAL 8 3HG2 VAL 8 7.259 -4.467 5.027
71 H LYS 9 H LYS 9 10.602 -6.603 3.815
72 HA LYS 9 HA LYS 9 11.810 -8.792 5.221
73 HB2 LYS 9 2HB LYS 9 11.929 -8.274 2.252
74 HB3 LYS 9 3HB LYS 9 12.069 -9.818 3.082
75 HG2 LYS 9 2HG LYS 9 9.578 -8.129 3.041
76 HG3 LYS 9 3HG LYS 9 9.894 -9.480 1.950
77 HD2 LYS 9 2HD LYS 9 10.017 -9.825 4.928
78 HD3 LYS 9 3HD LYS 9 8.482 -9.912 4.061
79 HE2 LYS 9 2HE LYS 9 8.936 -12.059 3.686
80 HE3 LYS 9 3HE LYS 9 10.199 -11.515 2.583
81 HZ1 LYS 9 1HZ LYS 9 10.923 -13.117 4.343
82 HZ2 LYS 9 2HZ LYS 9 10.649 -11.902 5.487
83 HZ3 LYS 9 3HZ LYS 9 11.814 -11.680 4.281
Start of MODEL 2
1 H1 THR 1 H THR 1 2.055 -1.521 1.139
2 HA THR 1 HA THR 1 1.826 -1.272 -1.774
3 HB THR 1 HB THR 1 4.320 -0.297 -0.639
4 HG1 THR 1 HG1 THR 1 1.888 0.429 0.558
5 HG21 THR 1 1HG2 THR 1 3.901 0.617 -2.687
6 HG22 THR 1 2HG2 THR 1 3.156 1.863 -1.684
7 HG23 THR 1 3HG2 THR 1 2.154 0.628 -2.446
8 H VAL 2 H VAL 2 4.188 -1.531 -2.801
9 HA VAL 2 HA VAL 2 4.898 -4.313 -2.294
10 HB VAL 2 HB VAL 2 6.194 -2.722 -4.456
11 HG11 VAL 2 1HG1 VAL 2 5.279 -5.556 -4.073
12 HG12 VAL 2 2HG1 VAL 2 5.739 -4.929 -5.657
13 HG13 VAL 2 3HG1 VAL 2 6.913 -4.951 -4.341
14 HG21 VAL 2 1HG2 VAL 2 4.195 -3.306 -5.913
15 HG22 VAL 2 2HG2 VAL 2 3.304 -3.549 -4.411
16 HG23 VAL 2 3HG2 VAL 2 3.986 -1.967 -4.785
17 H TYR 3 H TYR 3 6.774 -1.371 -3.047
18 HA TYR 3 HA TYR 3 9.203 -2.359 -2.046
19 HB2 TYR 3 2HB TYR 3 8.223 0.454 -2.528
20 HB3 TYR 3 3HB TYR 3 9.864 0.095 -2.002
21 HD1 TYR 3 HD1 TYR 3 11.206 -1.565 -3.490
22 HD2 TYR 3 HD2 TYR 3 7.730 0.512 -4.797
23 HE1 TYR 3 HE1 TYR 3 11.881 -1.918 -5.828
24 HE2 TYR 3 HE2 TYR 3 8.396 0.163 -7.139
25 HH TYR 3 HH TYR 3 9.771 -1.214 -8.477
26 H VAL 4 H VAL 4 6.530 -0.730 -0.501
27 HA VAL 4 HA VAL 4 7.875 -0.020 1.897
28 HB VAL 4 HB VAL 4 4.934 -0.450 1.359
29 HG11 VAL 4 1HG1 VAL 4 6.314 0.753 3.755
30 HG12 VAL 4 2HG1 VAL 4 4.579 0.840 3.441
31 HG13 VAL 4 3HG1 VAL 4 5.349 -0.722 3.720
32 HG21 VAL 4 1HG2 VAL 4 6.354 1.425 0.213
33 HG22 VAL 4 2HG2 VAL 4 4.768 1.798 0.888
34 HG23 VAL 4 3HG2 VAL 4 6.228 2.205 1.790
35 H TYR 5 H TYR 5 6.390 -2.939 0.739
36 HA TYR 5 HA TYR 5 6.430 -4.167 3.383
37 HB2 TYR 5 2HB TYR 5 5.264 -4.876 0.733
38 HB3 TYR 5 3HB TYR 5 5.649 -6.190 1.839
39 HD1 TYR 5 HD1 TYR 5 4.267 -2.774 2.450
40 HD2 TYR 5 HD2 TYR 5 3.659 -6.976 2.721
41 HE1 TYR 5 HE1 TYR 5 2.150 -2.384 3.639
42 HE2 TYR 5 HE2 TYR 5 1.540 -6.599 3.910
43 HH TYR 5 HH TYR 5 0.176 -3.397 4.265
44 H SER 6 H SER 6 8.455 -3.819 0.697
45 HA SER 6 HA SER 6 9.825 -6.326 0.875
46 HB2 SER 6 2HB SER 6 10.639 -3.718 -0.430
47 HB3 SER 6 3HB SER 6 11.488 -5.251 -0.624
48 HG SER 6 HG SER 6 9.446 -4.371 -2.020
49 H ARG 7 H ARG 7 9.925 -3.397 2.627
50 HA ARG 7 HA ARG 7 12.651 -3.639 3.520
51 HB2 ARG 7 2HB ARG 7 12.241 -1.707 4.828
52 HB3 ARG 7 3HB ARG 7 11.354 -1.469 3.328
53 HG2 ARG 7 2HG ARG 7 9.377 -2.513 4.696
54 HG3 ARG 7 3HG ARG 7 10.335 -1.974 6.076
55 HD2 ARG 7 2HD ARG 7 9.715 -0.131 3.793
56 HD3 ARG 7 3HD ARG 7 8.565 -0.375 5.108
57 HE ARG 7 HE ARG 7 10.978 0.221 6.303
58 HH11 ARG 7 1HH1 ARG 7 8.787 1.770 4.085
59 HH12 ARG 7 2HH1 ARG 7 9.196 3.374 4.598
60 HH21 ARG 7 1HH2 ARG 7 11.525 2.327 6.987
61 HH22 ARG 7 2HH2 ARG 7 10.754 3.690 6.248
62 H VAL 8 H VAL 8 9.504 -4.664 4.616
63 HA VAL 8 HA VAL 8 10.019 -5.173 7.304
64 HB VAL 8 HB VAL 8 8.285 -6.890 5.529
65 HG11 VAL 8 1HG1 VAL 8 6.978 -6.721 7.858
66 HG12 VAL 8 2HG1 VAL 8 8.170 -7.976 7.514
67 HG13 VAL 8 3HG1 VAL 8 8.632 -6.550 8.445
68 HG21 VAL 8 1HG2 VAL 8 7.188 -4.994 5.061
69 HG22 VAL 8 2HG2 VAL 8 6.606 -5.092 6.722
70 HG23 VAL 8 3HG2 VAL 8 8.008 -4.094 6.337
71 H LYS 9 H LYS 9 10.884 -6.989 4.442
72 HA LYS 9 HA LYS 9 11.846 -9.242 6.015
73 HB2 LYS 9 2HB LYS 9 11.431 -8.700 3.110
74 HB3 LYS 9 3HB LYS 9 12.608 -9.924 3.569
75 HG2 LYS 9 2HG LYS 9 11.019 -11.404 4.026
76 HG3 LYS 9 3HG LYS 9 10.122 -10.246 5.010
77 HD2 LYS 9 2HD LYS 9 8.592 -10.546 3.354
78 HD3 LYS 9 3HD LYS 9 9.540 -9.259 2.606
79 HE2 LYS 9 2HE LYS 9 10.292 -10.606 0.982
80 HE3 LYS 9 3HE LYS 9 10.597 -11.934 2.101
81 HZ1 LYS 9 1HZ LYS 9 8.489 -11.653 0.286
82 HZ2 LYS 9 2HZ LYS 9 7.828 -11.615 1.842
83 HZ3 LYS 9 3HZ LYS 9 8.781 -12.927 1.361
Start of MODEL 3
1 H1 THR 1 H THR 1 3.192 1.405 -1.091
2 HA THR 1 HA THR 1 1.810 -0.574 0.211
3 HB THR 1 HB THR 1 1.888 -0.420 -2.799
4 HG1 THR 1 HG1 THR 1 0.572 1.300 -0.944
5 HG21 THR 1 1HG2 THR 1 0.232 -1.901 -2.588
6 HG22 THR 1 2HG2 THR 1 -0.726 -0.624 -1.838
7 HG23 THR 1 3HG2 THR 1 0.219 -1.723 -0.834
8 H VAL 2 H VAL 2 3.711 -1.206 -2.743
9 HA VAL 2 HA VAL 2 3.982 -3.997 -1.935
10 HB VAL 2 HB VAL 2 5.163 -2.965 -4.471
11 HG11 VAL 2 1HG1 VAL 2 4.753 -5.461 -3.334
12 HG12 VAL 2 2HG1 VAL 2 3.510 -5.339 -4.581
13 HG13 VAL 2 3HG1 VAL 2 5.210 -5.126 -5.004
14 HG21 VAL 2 1HG2 VAL 2 3.099 -1.838 -4.599
15 HG22 VAL 2 2HG2 VAL 2 2.878 -3.320 -5.531
16 HG23 VAL 2 3HG2 VAL 2 2.221 -3.198 -3.899
17 H TYR 3 H TYR 3 6.195 -1.594 -3.374
18 HA TYR 3 HA TYR 3 8.550 -2.903 -2.612
19 HB2 TYR 3 2HB TYR 3 8.273 -1.043 -4.331
20 HB3 TYR 3 3HB TYR 3 8.300 0.081 -2.977
21 HD1 TYR 3 HD1 TYR 3 10.312 1.211 -2.968
22 HD2 TYR 3 HD2 TYR 3 10.314 -2.968 -3.767
23 HE1 TYR 3 HE1 TYR 3 12.771 1.230 -3.029
24 HE2 TYR 3 HE2 TYR 3 12.773 -2.961 -3.828
25 HH TYR 3 HH TYR 3 14.592 -0.791 -4.378
26 H VAL 4 H VAL 4 6.513 -0.618 -0.918
27 HA VAL 4 HA VAL 4 8.347 0.008 1.160
28 HB VAL 4 HB VAL 4 5.333 0.184 1.089
29 HG11 VAL 4 1HG1 VAL 4 6.049 0.044 3.386
30 HG12 VAL 4 2HG1 VAL 4 7.293 1.266 3.110
31 HG13 VAL 4 3HG1 VAL 4 5.587 1.707 3.024
32 HG21 VAL 4 1HG2 VAL 4 6.001 1.746 -0.445
33 HG22 VAL 4 2HG2 VAL 4 6.089 2.709 1.029
34 HG23 VAL 4 3HG2 VAL 4 7.557 2.016 0.340
35 H TYR 5 H TYR 5 6.199 -2.642 0.570
36 HA TYR 5 HA TYR 5 6.261 -3.566 3.319
37 HB2 TYR 5 2HB TYR 5 4.779 -4.244 0.875
38 HB3 TYR 5 3HB TYR 5 5.208 -5.637 1.863
39 HD1 TYR 5 HD1 TYR 5 4.309 -2.192 2.952
40 HD2 TYR 5 HD2 TYR 5 3.188 -6.294 2.829
41 HE1 TYR 5 HE1 TYR 5 2.413 -1.712 4.442
42 HE2 TYR 5 HE2 TYR 5 1.288 -5.825 4.319
43 HH TYR 5 HH TYR 5 0.927 -3.659 6.213
44 H SER 6 H SER 6 8.193 -3.838 0.556
45 HA SER 6 HA SER 6 9.184 -6.474 0.891
46 HB2 SER 6 2HB SER 6 10.359 -4.049 -0.483
47 HB3 SER 6 3HB SER 6 11.082 -5.656 -0.547
48 HG SER 6 HG SER 6 9.699 -6.148 -2.036
49 H ARG 7 H ARG 7 9.724 -3.554 2.577
50 HA ARG 7 HA ARG 7 12.359 -4.166 3.531
51 HB2 ARG 7 2HB ARG 7 12.178 -2.206 4.849
52 HB3 ARG 7 3HB ARG 7 11.347 -1.849 3.341
53 HG2 ARG 7 2HG ARG 7 9.223 -2.591 4.626
54 HG3 ARG 7 3HG ARG 7 10.209 -2.311 6.062
55 HD2 ARG 7 2HD ARG 7 9.806 -0.274 3.879
56 HD3 ARG 7 3HD ARG 7 8.814 -0.359 5.334
57 HE ARG 7 HE ARG 7 11.308 -0.218 6.335
58 HH11 ARG 7 1HH1 ARG 7 9.616 1.671 3.951
59 HH12 ARG 7 2HH1 ARG 7 10.479 3.131 4.305
60 HH21 ARG 7 1HH2 ARG 7 12.451 1.698 6.811
61 HH22 ARG 7 2HH2 ARG 7 12.092 3.145 5.931
62 H VAL 8 H VAL 8 9.094 -4.795 4.578
63 HA VAL 8 HA VAL 8 9.500 -5.381 7.268
64 HB VAL 8 HB VAL 8 7.600 -6.864 5.452
65 HG11 VAL 8 1HG1 VAL 8 7.309 -7.942 7.419
66 HG12 VAL 8 2HG1 VAL 8 7.946 -6.602 8.374
67 HG13 VAL 8 3HG1 VAL 8 6.290 -6.546 7.769
68 HG21 VAL 8 1HG2 VAL 8 7.656 -4.061 6.270
69 HG22 VAL 8 2HG2 VAL 8 6.738 -4.849 4.987
70 HG23 VAL 8 3HG2 VAL 8 6.138 -4.879 6.645
71 H LYS 9 H LYS 9 10.178 -7.277 4.406
72 HA LYS 9 HA LYS 9 10.453 -9.815 5.463
73 HB2 LYS 9 2HB LYS 9 11.525 -8.368 3.138
74 HB3 LYS 9 3HB LYS 9 12.514 -9.723 3.666
75 HG2 LYS 9 2HG LYS 9 10.995 -11.261 3.022
76 HG3 LYS 9 3HG LYS 9 9.619 -10.237 3.436
77 HD2 LYS 9 2HD LYS 9 9.446 -10.195 1.160
78 HD3 LYS 9 3HD LYS 9 10.528 -8.820 1.391
79 HE2 LYS 9 2HE LYS 9 11.759 -9.900 -0.167
80 HE3 LYS 9 3HE LYS 9 12.337 -10.797 1.237
81 HZ1 LYS 9 1HZ LYS 9 11.536 -12.643 0.352
82 HZ2 LYS 9 2HZ LYS 9 11.007 -11.787 -1.008
83 HZ3 LYS 9 3HZ LYS 9 9.974 -11.994 0.316
Start of MODEL 4
1 H1 THR 1 H THR 1 3.855 1.894 -1.729
2 HA THR 1 HA THR 1 1.923 0.156 -0.573
3 HB THR 1 HB THR 1 2.644 0.360 -3.500
4 HG1 THR 1 HG1 THR 1 1.775 2.282 -3.456
5 HG21 THR 1 1HG2 THR 1 0.247 -0.634 -1.984
6 HG22 THR 1 2HG2 THR 1 1.193 -1.463 -3.220
7 HG23 THR 1 3HG2 THR 1 0.132 -0.129 -3.669
8 H VAL 2 H VAL 2 4.302 -0.618 -3.116
9 HA VAL 2 HA VAL 2 4.312 -3.394 -2.217
10 HB VAL 2 HB VAL 2 5.966 -2.474 -4.521
11 HG11 VAL 2 1HG1 VAL 2 4.234 -4.794 -4.824
12 HG12 VAL 2 2HG1 VAL 2 5.978 -4.645 -5.046
13 HG13 VAL 2 3HG1 VAL 2 5.313 -4.918 -3.435
14 HG21 VAL 2 1HG2 VAL 2 2.962 -2.576 -4.475
15 HG22 VAL 2 2HG2 VAL 2 4.007 -1.272 -5.039
16 HG23 VAL 2 3HG2 VAL 2 3.890 -2.770 -5.963
17 H TYR 3 H TYR 3 6.844 -1.115 -3.285
18 HA TYR 3 HA TYR 3 8.977 -2.487 -2.112
19 HB2 TYR 3 2HB TYR 3 8.588 0.348 -3.018
20 HB3 TYR 3 3HB TYR 3 10.073 -0.122 -2.198
21 HD1 TYR 3 HD1 TYR 3 11.214 -2.307 -3.190
22 HD2 TYR 3 HD2 TYR 3 8.529 0.213 -5.321
23 HE1 TYR 3 HE1 TYR 3 12.127 -3.141 -5.316
24 HE2 TYR 3 HE2 TYR 3 9.434 -0.615 -7.452
25 HH TYR 3 HH TYR 3 10.650 -2.834 -8.198
26 H VAL 4 H VAL 4 6.714 -0.192 -0.781
27 HA VAL 4 HA VAL 4 8.175 0.441 1.571
28 HB VAL 4 HB VAL 4 5.212 0.596 1.008
29 HG11 VAL 4 1HG1 VAL 4 5.136 2.120 2.957
30 HG12 VAL 4 2HG1 VAL 4 5.550 0.461 3.393
31 HG13 VAL 4 3HG1 VAL 4 6.809 1.695 3.318
32 HG21 VAL 4 1HG2 VAL 4 7.519 2.377 0.526
33 HG22 VAL 4 2HG2 VAL 4 6.006 2.212 -0.365
34 HG23 VAL 4 3HG2 VAL 4 6.050 3.141 1.133
35 H TYR 5 H TYR 5 5.985 -2.136 0.687
36 HA TYR 5 HA TYR 5 5.781 -3.104 3.416
37 HB2 TYR 5 2HB TYR 5 3.824 -3.267 1.958
38 HB3 TYR 5 3HB TYR 5 4.734 -4.256 0.821
39 HD1 TYR 5 HD1 TYR 5 3.663 -6.324 0.836
40 HD2 TYR 5 HD2 TYR 5 4.597 -4.450 4.539
41 HE1 TYR 5 HE1 TYR 5 2.960 -8.354 2.033
42 HE2 TYR 5 HE2 TYR 5 3.898 -6.475 5.747
43 HH TYR 5 HH TYR 5 2.356 -9.154 4.105
44 H SER 6 H SER 6 7.882 -3.456 0.790
45 HA SER 6 HA SER 6 8.739 -6.144 1.483
46 HB2 SER 6 2HB SER 6 9.932 -4.222 -0.529
47 HB3 SER 6 3HB SER 6 10.262 -5.950 -0.401
48 HG SER 6 HG SER 6 8.014 -6.287 -0.869
49 H ARG 7 H ARG 7 9.506 -2.918 2.300
50 HA ARG 7 HA ARG 7 12.217 -2.978 2.822
51 HB2 ARG 7 2HB ARG 7 11.875 -1.145 4.283
52 HB3 ARG 7 3HB ARG 7 10.628 -1.016 3.050
53 HG2 ARG 7 2HG ARG 7 9.084 -2.187 4.672
54 HG3 ARG 7 3HG ARG 7 10.333 -1.934 5.893
55 HD2 ARG 7 2HD ARG 7 9.525 0.419 4.289
56 HD3 ARG 7 3HD ARG 7 8.349 -0.195 5.451
57 HE ARG 7 HE ARG 7 10.716 1.261 6.037
58 HH11 ARG 7 1HH1 ARG 7 8.667 -1.290 7.225
59 HH12 ARG 7 2HH1 ARG 7 9.092 -1.037 8.885
60 HH21 ARG 7 1HH2 ARG 7 11.285 1.605 8.220
61 HH22 ARG 7 2HH2 ARG 7 10.581 0.611 9.450
62 H VAL 8 H VAL 8 9.597 -4.464 4.578
63 HA VAL 8 HA VAL 8 10.804 -4.933 7.041
64 HB VAL 8 HB VAL 8 8.957 -6.862 5.635
65 HG11 VAL 8 1HG1 VAL 8 8.246 -6.889 8.233
66 HG12 VAL 8 2HG1 VAL 8 9.428 -7.994 7.530
67 HG13 VAL 8 3HG1 VAL 8 9.970 -6.550 8.385
68 HG21 VAL 8 1HG2 VAL 8 7.192 -5.540 6.967
69 HG22 VAL 8 2HG2 VAL 8 8.401 -4.257 7.010
70 HG23 VAL 8 3HG2 VAL 8 7.798 -4.849 5.462
71 H LYS 9 H LYS 9 11.205 -6.564 3.971
72 HA LYS 9 HA LYS 9 13.340 -8.188 5.179
73 HB2 LYS 9 2HB LYS 9 12.737 -10.046 3.674
74 HB3 LYS 9 3HB LYS 9 11.441 -9.657 4.798
75 HG2 LYS 9 2HG LYS 9 11.069 -8.132 2.424
76 HG3 LYS 9 3HG LYS 9 11.336 -9.820 1.982
77 HD2 LYS 9 2HD LYS 9 9.512 -9.359 4.254
78 HD3 LYS 9 3HD LYS 9 8.933 -8.808 2.680
79 HE2 LYS 9 2HE LYS 9 9.941 -11.273 2.082
80 HE3 LYS 9 3HE LYS 9 9.312 -11.526 3.709
81 HZ1 LYS 9 1HZ LYS 9 7.167 -10.772 3.010
82 HZ2 LYS 9 2HZ LYS 9 7.677 -11.978 1.939
83 HZ3 LYS 9 3HZ LYS 9 7.746 -10.352 1.477
Start of MODEL 5
1 H1 THR 1 H THR 1 2.006 0.596 0.999
2 HA THR 1 HA THR 1 1.495 0.281 -1.828
3 HB THR 1 HB THR 1 4.295 0.599 -0.991
4 HG1 THR 1 HG1 THR 1 3.530 1.845 0.650
5 HG21 THR 1 1HG2 THR 1 3.813 2.705 -2.518
6 HG22 THR 1 2HG2 THR 1 2.389 1.764 -2.961
7 HG23 THR 1 3HG2 THR 1 4.001 1.094 -3.210
8 H VAL 2 H VAL 2 3.490 -0.826 -3.034
9 HA VAL 2 HA VAL 2 3.464 -3.597 -2.114
10 HB VAL 2 HB VAL 2 4.741 -2.800 -4.687
11 HG11 VAL 2 1HG1 VAL 2 3.421 -5.167 -3.501
12 HG12 VAL 2 2HG1 VAL 2 3.223 -4.928 -5.238
13 HG13 VAL 2 3HG1 VAL 2 4.839 -5.061 -4.543
14 HG21 VAL 2 1HG2 VAL 2 2.430 -2.960 -5.737
15 HG22 VAL 2 2HG2 VAL 2 1.791 -2.698 -4.114
16 HG23 VAL 2 3HG2 VAL 2 2.806 -1.470 -4.870
17 H TYR 3 H TYR 3 5.911 -1.497 -3.646
18 HA TYR 3 HA TYR 3 8.122 -3.007 -2.840
19 HB2 TYR 3 2HB TYR 3 7.685 -0.673 -4.329
20 HB3 TYR 3 3HB TYR 3 8.763 -0.190 -3.023
21 HD1 TYR 3 HD1 TYR 3 11.010 -0.285 -3.502
22 HD2 TYR 3 HD2 TYR 3 8.407 -3.078 -5.380
23 HE1 TYR 3 HE1 TYR 3 12.921 -1.237 -4.723
24 HE2 TYR 3 HE2 TYR 3 10.311 -4.038 -6.605
25 HH TYR 3 HH TYR 3 12.549 -4.081 -6.790
26 H VAL 4 H VAL 4 6.223 -0.658 -1.140
27 HA VAL 4 HA VAL 4 8.113 -0.012 0.881
28 HB VAL 4 HB VAL 4 5.098 0.161 0.893
29 HG11 VAL 4 1HG1 VAL 4 5.880 0.042 3.170
30 HG12 VAL 4 2HG1 VAL 4 7.112 1.265 2.847
31 HG13 VAL 4 3HG1 VAL 4 5.402 1.700 2.806
32 HG21 VAL 4 1HG2 VAL 4 7.264 2.183 0.349
33 HG22 VAL 4 2HG2 VAL 4 6.036 1.598 -0.774
34 HG23 VAL 4 3HG2 VAL 4 5.569 2.599 0.601
35 H TYR 5 H TYR 5 5.896 -2.642 0.400
36 HA TYR 5 HA TYR 5 5.921 -3.540 3.126
37 HB2 TYR 5 2HB TYR 5 4.728 -4.432 0.577
38 HB3 TYR 5 3HB TYR 5 5.112 -5.719 1.715
39 HD1 TYR 5 HD1 TYR 5 3.916 -2.255 2.388
40 HD2 TYR 5 HD2 TYR 5 3.048 -6.418 2.542
41 HE1 TYR 5 HE1 TYR 5 1.845 -1.772 3.624
42 HE2 TYR 5 HE2 TYR 5 0.975 -5.946 3.777
43 HH TYR 5 HH TYR 5 0.086 -4.117 5.250
44 H SER 6 H SER 6 8.082 -3.745 0.532
45 HA SER 6 HA SER 6 9.256 -6.278 1.256
46 HB2 SER 6 2HB SER 6 9.220 -5.224 -1.089
47 HB3 SER 6 3HB SER 6 10.532 -4.196 -0.512
48 HG SER 6 HG SER 6 11.446 -6.394 0.155
49 H ARG 7 H ARG 7 9.554 -3.027 2.257
50 HA ARG 7 HA ARG 7 12.211 -2.803 2.997
51 HB2 ARG 7 2HB ARG 7 11.546 -1.071 4.470
52 HB3 ARG 7 3HB ARG 7 10.399 -1.035 3.137
53 HG2 ARG 7 2HG ARG 7 8.848 -2.395 4.572
54 HG3 ARG 7 3HG ARG 7 9.967 -2.115 5.908
55 HD2 ARG 7 2HD ARG 7 9.287 0.329 4.491
56 HD3 ARG 7 3HD ARG 7 7.869 -0.482 5.153
57 HE ARG 7 HE ARG 7 9.930 0.862 6.619
58 HH11 ARG 7 1HH1 ARG 7 7.538 -1.664 6.755
59 HH12 ARG 7 2HH1 ARG 7 7.382 -1.604 8.479
60 HH21 ARG 7 1HH2 ARG 7 9.734 0.951 8.890
61 HH22 ARG 7 2HH2 ARG 7 8.631 -0.115 9.693
62 H VAL 8 H VAL 8 9.636 -4.626 4.481
63 HA VAL 8 HA VAL 8 10.682 -5.047 7.026
64 HB VAL 8 HB VAL 8 9.179 -7.114 5.419
65 HG11 VAL 8 1HG1 VAL 8 9.856 -6.746 8.281
66 HG12 VAL 8 2HG1 VAL 8 8.253 -7.378 7.901
67 HG13 VAL 8 3HG1 VAL 8 9.694 -8.225 7.335
68 HG21 VAL 8 1HG2 VAL 8 7.862 -5.183 5.206
69 HG22 VAL 8 2HG2 VAL 8 7.161 -6.055 6.570
70 HG23 VAL 8 3HG2 VAL 8 8.205 -4.662 6.856
71 H LYS 9 H LYS 9 11.519 -6.504 3.959
72 HA LYS 9 HA LYS 9 13.033 -8.668 5.018
73 HB2 LYS 9 2HB LYS 9 13.245 -7.343 2.308
74 HB3 LYS 9 3HB LYS 9 13.894 -8.919 2.741
75 HG2 LYS 9 2HG LYS 9 10.984 -8.150 2.639
76 HG3 LYS 9 3HG LYS 9 11.848 -9.172 1.487
77 HD2 LYS 9 2HD LYS 9 12.407 -10.571 3.640
78 HD3 LYS 9 3HD LYS 9 10.972 -9.765 4.277
79 HE2 LYS 9 2HE LYS 9 9.568 -10.903 2.916
80 HE3 LYS 9 3HE LYS 9 10.715 -10.925 1.576
81 HZ1 LYS 9 1HZ LYS 9 10.882 -13.081 2.115
82 HZ2 LYS 9 2HZ LYS 9 10.305 -12.861 3.689
83 HZ3 LYS 9 3HZ LYS 9 11.925 -12.535 3.330
Start of MODEL 6
1 H1 THR 1 H THR 1 2.991 0.150 1.289
2 HA THR 1 HA THR 1 1.953 -0.368 -1.403
3 HB THR 1 HB THR 1 4.757 0.467 -1.186
4 HG1 THR 1 HG1 THR 1 3.836 2.724 -0.750
5 HG21 THR 1 1HG2 THR 1 2.351 1.044 -2.819
6 HG22 THR 1 2HG2 THR 1 4.010 0.721 -3.321
7 HG23 THR 1 3HG2 THR 1 3.568 2.315 -2.711
8 H VAL 2 H VAL 2 4.018 -1.217 -2.818
9 HA VAL 2 HA VAL 2 4.509 -3.883 -1.740
10 HB VAL 2 HB VAL 2 5.422 -3.089 -4.465
11 HG11 VAL 2 1HG1 VAL 2 5.871 -5.332 -3.732
12 HG12 VAL 2 2HG1 VAL 2 4.183 -5.566 -3.273
13 HG13 VAL 2 3HG1 VAL 2 4.620 -5.385 -4.973
14 HG21 VAL 2 1HG2 VAL 2 3.080 -3.664 -5.275
15 HG22 VAL 2 2HG2 VAL 2 2.553 -3.383 -3.616
16 HG23 VAL 2 3HG2 VAL 2 3.297 -2.077 -4.538
17 H TYR 3 H TYR 3 6.465 -1.560 -3.616
18 HA TYR 3 HA TYR 3 8.941 -2.668 -2.934
19 HB2 TYR 3 2HB TYR 3 8.239 0.152 -3.767
20 HB3 TYR 3 3HB TYR 3 9.882 -0.472 -3.670
21 HD1 TYR 3 HD1 TYR 3 7.267 0.180 -5.853
22 HD2 TYR 3 HD2 TYR 3 10.176 -2.805 -4.995
23 HE1 TYR 3 HE1 TYR 3 7.078 -0.658 -8.157
24 HE2 TYR 3 HE2 TYR 3 9.995 -3.651 -7.297
25 HH TYR 3 HH TYR 3 9.206 -3.186 -9.373
26 H VAL 4 H VAL 4 6.932 -0.313 -1.302
27 HA VAL 4 HA VAL 4 8.908 0.581 0.544
28 HB VAL 4 HB VAL 4 5.893 0.688 0.684
29 HG11 VAL 4 1HG1 VAL 4 7.964 1.996 2.442
30 HG12 VAL 4 2HG1 VAL 4 6.247 2.404 2.436
31 HG13 VAL 4 3HG1 VAL 4 6.770 0.792 2.925
32 HG21 VAL 4 1HG2 VAL 4 7.993 2.665 -0.176
33 HG22 VAL 4 2HG2 VAL 4 6.669 2.004 -1.134
34 HG23 VAL 4 3HG2 VAL 4 6.329 3.121 0.188
35 H TYR 5 H TYR 5 6.604 -2.054 0.496
36 HA TYR 5 HA TYR 5 6.725 -2.714 3.242
37 HB2 TYR 5 2HB TYR 5 5.603 -3.864 0.811
38 HB3 TYR 5 3HB TYR 5 6.213 -5.096 1.909
39 HD1 TYR 5 HD1 TYR 5 4.574 -1.825 2.633
40 HD2 TYR 5 HD2 TYR 5 4.346 -6.065 2.894
41 HE1 TYR 5 HE1 TYR 5 2.528 -1.626 3.984
42 HE2 TYR 5 HE2 TYR 5 2.299 -5.878 4.245
43 HH TYR 5 HH TYR 5 0.939 -4.485 5.343
44 H SER 6 H SER 6 9.000 -3.015 0.759
45 HA SER 6 HA SER 6 10.321 -5.393 1.443
46 HB2 SER 6 2HB SER 6 10.639 -3.718 -0.577
47 HB3 SER 6 3HB SER 6 11.884 -3.035 0.469
48 HG SER 6 HG SER 6 12.756 -5.196 0.602
49 H ARG 7 H ARG 7 10.124 -2.396 3.068
50 HA ARG 7 HA ARG 7 12.548 -2.191 4.384
51 HB2 ARG 7 2HB ARG 7 11.222 -1.094 6.225
52 HB3 ARG 7 3HB ARG 7 10.955 -0.435 4.616
53 HG2 ARG 7 2HG ARG 7 8.783 -0.727 4.895
54 HG3 ARG 7 3HG ARG 7 9.049 -2.470 4.967
55 HD2 ARG 7 2HD ARG 7 8.888 -2.538 7.227
56 HD3 ARG 7 3HD ARG 7 9.620 -0.947 7.433
57 HE ARG 7 HE ARG 7 7.525 -0.052 7.485
58 HH11 ARG 7 1HH1 ARG 7 7.358 -3.185 5.977
59 HH12 ARG 7 2HH1 ARG 7 5.629 -3.185 5.868
60 HH21 ARG 7 1HH2 ARG 7 5.248 -0.040 7.347
61 HH22 ARG 7 2HH2 ARG 7 4.430 -1.396 6.647
62 H VAL 8 H VAL 8 9.943 -4.440 4.884
63 HA VAL 8 HA VAL 8 10.692 -5.312 7.483
64 HB VAL 8 HB VAL 8 9.086 -6.705 5.337
65 HG11 VAL 8 1HG1 VAL 8 9.999 -8.364 6.830
66 HG12 VAL 8 2HG1 VAL 8 9.489 -7.430 8.237
67 HG13 VAL 8 3HG1 VAL 8 8.282 -8.155 7.174
68 HG21 VAL 8 1HG2 VAL 8 7.504 -5.252 5.915
69 HG22 VAL 8 2HG2 VAL 8 7.474 -6.010 7.508
70 HG23 VAL 8 3HG2 VAL 8 8.497 -4.603 7.220
71 H LYS 9 H LYS 9 10.815 -7.246 4.496
72 HA LYS 9 HA LYS 9 13.483 -8.193 5.293
73 HB2 LYS 9 2HB LYS 9 12.842 -10.475 4.560
74 HB3 LYS 9 3HB LYS 9 11.932 -9.922 5.960
75 HG2 LYS 9 2HG LYS 9 10.222 -10.781 4.755
76 HG3 LYS 9 3HG LYS 9 10.233 -9.154 4.070
77 HD2 LYS 9 2HD LYS 9 11.144 -9.849 2.085
78 HD3 LYS 9 3HD LYS 9 11.963 -11.229 2.820
79 HE2 LYS 9 2HE LYS 9 10.200 -12.589 2.515
80 HE3 LYS 9 3HE LYS 9 9.037 -11.340 2.956
81 HZ1 LYS 9 1HZ LYS 9 9.530 -10.357 0.694
82 HZ2 LYS 9 2HZ LYS 9 8.643 -11.797 0.711
83 HZ3 LYS 9 3HZ LYS 9 10.289 -11.822 0.319
Start of MODEL 7
1 H1 THR 1 H THR 1 2.153 -0.909 0.959
2 HA THR 1 HA THR 1 1.840 -1.793 -1.747
3 HB THR 1 HB THR 1 4.354 -0.427 -1.198
4 HG1 THR 1 HG1 THR 1 2.974 1.578 -0.711
5 HG21 THR 1 1HG2 THR 1 3.863 0.580 -3.149
6 HG22 THR 1 2HG2 THR 1 2.221 0.974 -2.641
7 HG23 THR 1 3HG2 THR 1 2.588 -0.631 -3.271
8 H VAL 2 H VAL 2 4.267 -2.094 -2.821
9 HA VAL 2 HA VAL 2 5.118 -4.671 -1.747
10 HB VAL 2 HB VAL 2 6.277 -3.543 -4.252
11 HG11 VAL 2 1HG1 VAL 2 6.635 -5.729 -4.818
12 HG12 VAL 2 2HG1 VAL 2 6.679 -5.863 -3.059
13 HG13 VAL 2 3HG1 VAL 2 5.217 -6.304 -3.942
14 HG21 VAL 2 1HG2 VAL 2 4.273 -4.527 -5.470
15 HG22 VAL 2 2HG2 VAL 2 3.434 -4.464 -3.920
16 HG23 VAL 2 3HG2 VAL 2 4.027 -2.979 -4.662
17 H TYR 3 H TYR 3 6.824 -1.890 -3.197
18 HA TYR 3 HA TYR 3 9.314 -2.535 -2.041
19 HB2 TYR 3 2HB TYR 3 8.273 0.072 -3.163
20 HB3 TYR 3 3HB TYR 3 9.949 -0.203 -2.703
21 HD1 TYR 3 HD1 TYR 3 7.595 -0.377 -5.337
22 HD2 TYR 3 HD2 TYR 3 11.128 -2.225 -3.853
23 HE1 TYR 3 HE1 TYR 3 8.051 -1.288 -7.575
24 HE2 TYR 3 HE2 TYR 3 11.595 -3.140 -6.087
25 HH TYR 3 HH TYR 3 9.411 -2.518 -8.821
26 H VAL 4 H VAL 4 6.609 -0.618 -0.941
27 HA VAL 4 HA VAL 4 7.961 0.723 1.169
28 HB VAL 4 HB VAL 4 5.024 0.130 0.790
29 HG11 VAL 4 1HG1 VAL 4 4.663 1.916 2.466
30 HG12 VAL 4 2HG1 VAL 4 5.452 0.487 3.137
31 HG13 VAL 4 3HG1 VAL 4 6.398 1.932 2.780
32 HG21 VAL 4 1HG2 VAL 4 5.835 2.891 0.580
33 HG22 VAL 4 2HG2 VAL 4 6.725 1.882 -0.561
34 HG23 VAL 4 3HG2 VAL 4 4.961 1.886 -0.577
35 H TYR 5 H TYR 5 6.355 -2.373 0.879
36 HA TYR 5 HA TYR 5 6.581 -2.867 3.745
37 HB2 TYR 5 2HB TYR 5 5.224 -4.267 1.468
38 HB3 TYR 5 3HB TYR 5 5.554 -5.142 2.959
39 HD1 TYR 5 HD1 TYR 5 3.674 -5.343 4.269
40 HD2 TYR 5 HD2 TYR 5 4.307 -1.705 2.156
41 HE1 TYR 5 HE1 TYR 5 1.629 -4.412 5.271
42 HE2 TYR 5 HE2 TYR 5 2.265 -0.764 3.153
43 HH TYR 5 HH TYR 5 0.910 -1.493 5.607
44 H SER 6 H SER 6 8.369 -3.343 0.915
45 HA SER 6 HA SER 6 9.607 -5.813 1.395
46 HB2 SER 6 2HB SER 6 9.859 -3.703 -0.480
47 HB3 SER 6 3HB SER 6 11.467 -3.997 0.180
48 HG SER 6 HG SER 6 11.439 -6.015 -0.594
49 H ARG 7 H ARG 7 9.918 -2.807 2.987
50 HA ARG 7 HA ARG 7 12.538 -2.792 3.875
51 HB2 ARG 7 2HB ARG 7 11.631 -1.591 5.895
52 HB3 ARG 7 3HB ARG 7 11.148 -0.915 4.345
53 HG2 ARG 7 2HG ARG 7 9.038 -1.034 4.992
54 HG3 ARG 7 3HG ARG 7 9.177 -2.793 5.042
55 HD2 ARG 7 2HD ARG 7 8.520 -2.358 7.196
56 HD3 ARG 7 3HD ARG 7 10.274 -2.328 7.376
57 HE ARG 7 HE ARG 7 10.143 -0.103 7.884
58 HH11 ARG 7 1HH1 ARG 7 7.167 -1.098 6.377
59 HH12 ARG 7 2HH1 ARG 7 6.362 0.407 6.673
60 HH21 ARG 7 1HH2 ARG 7 9.094 1.883 8.280
61 HH22 ARG 7 2HH2 ARG 7 7.459 2.103 7.755
62 H VAL 8 H VAL 8 9.887 -4.827 4.839
63 HA VAL 8 HA VAL 8 10.983 -5.751 7.290
64 HB VAL 8 HB VAL 8 8.961 -7.033 5.448
65 HG11 VAL 8 1HG1 VAL 8 8.358 -8.410 7.413
66 HG12 VAL 8 2HG1 VAL 8 9.984 -8.743 6.812
67 HG13 VAL 8 3HG1 VAL 8 9.762 -7.764 8.262
68 HG21 VAL 8 1HG2 VAL 8 7.473 -6.287 7.457
69 HG22 VAL 8 2HG2 VAL 8 8.787 -5.150 7.761
70 HG23 VAL 8 3HG2 VAL 8 7.932 -5.117 6.219
71 H LYS 9 H LYS 9 10.489 -7.695 4.349
72 HA LYS 9 HA LYS 9 12.534 -9.543 5.080
73 HB2 LYS 9 2HB LYS 9 12.072 -10.606 2.937
74 HB3 LYS 9 3HB LYS 9 10.568 -10.208 3.758
75 HG2 LYS 9 2HG LYS 9 11.083 -7.980 2.203
76 HG3 LYS 9 3HG LYS 9 11.564 -9.338 1.183
77 HD2 LYS 9 2HD LYS 9 9.243 -10.295 2.125
78 HD3 LYS 9 3HD LYS 9 8.891 -8.567 2.194
79 HE2 LYS 9 2HE LYS 9 8.182 -9.150 0.065
80 HE3 LYS 9 3HE LYS 9 9.805 -8.526 -0.224
81 HZ1 LYS 9 1HZ LYS 9 9.594 -11.380 0.300
82 HZ2 LYS 9 2HZ LYS 9 10.580 -10.550 -0.796
83 HZ3 LYS 9 3HZ LYS 9 8.958 -10.846 -1.174
Start of MODEL 8
1 H1 THR 1 H THR 1 2.017 -1.905 1.355
2 HA THR 1 HA THR 1 1.349 -1.977 -1.472
3 HB THR 1 HB THR 1 3.780 -0.521 -0.792
4 HG1 THR 1 HG1 THR 1 1.352 0.141 0.550
5 HG21 THR 1 1HG2 THR 1 2.879 1.097 -2.177
6 HG22 THR 1 2HG2 THR 1 1.219 0.710 -1.724
7 HG23 THR 1 3HG2 THR 1 2.113 -0.364 -2.799
8 H VAL 2 H VAL 2 3.635 -1.743 -2.806
9 HA VAL 2 HA VAL 2 4.842 -4.383 -2.492
10 HB VAL 2 HB VAL 2 5.569 -2.571 -4.746
11 HG11 VAL 2 1HG1 VAL 2 5.987 -4.523 -5.897
12 HG12 VAL 2 2HG1 VAL 2 6.379 -5.002 -4.244
13 HG13 VAL 2 3HG1 VAL 2 4.827 -5.455 -4.950
14 HG21 VAL 2 1HG2 VAL 2 3.245 -2.197 -4.777
15 HG22 VAL 2 2HG2 VAL 2 3.525 -3.472 -5.962
16 HG23 VAL 2 3HG2 VAL 2 2.887 -3.875 -4.368
17 H TYR 3 H TYR 3 6.092 -1.158 -3.377
18 HA TYR 3 HA TYR 3 8.761 -1.713 -2.751
19 HB2 TYR 3 2HB TYR 3 7.392 0.417 -3.845
20 HB3 TYR 3 3HB TYR 3 7.994 1.079 -2.330
21 HD1 TYR 3 HD1 TYR 3 10.566 0.360 -1.863
22 HD2 TYR 3 HD2 TYR 3 8.735 0.719 -5.687
23 HE1 TYR 3 HE1 TYR 3 12.778 0.697 -2.884
24 HE2 TYR 3 HE2 TYR 3 10.942 1.055 -6.719
25 HH TYR 3 HH TYR 3 13.746 0.280 -5.358
26 H VAL 4 H VAL 4 6.094 -0.657 -0.758
27 HA VAL 4 HA VAL 4 7.631 0.172 1.484
28 HB VAL 4 HB VAL 4 4.754 -0.733 1.309
29 HG11 VAL 4 1HG1 VAL 4 5.535 -1.039 3.571
30 HG12 VAL 4 2HG1 VAL 4 6.241 0.578 3.582
31 HG13 VAL 4 3HG1 VAL 4 4.490 0.379 3.503
32 HG21 VAL 4 1HG2 VAL 4 4.352 1.743 1.579
33 HG22 VAL 4 2HG2 VAL 4 6.074 1.973 1.276
34 HG23 VAL 4 3HG2 VAL 4 5.050 1.247 0.037
35 H TYR 5 H TYR 5 6.354 -2.903 0.408
36 HA TYR 5 HA TYR 5 7.090 -4.206 2.909
37 HB2 TYR 5 2HB TYR 5 5.330 -4.818 0.660
38 HB3 TYR 5 3HB TYR 5 6.307 -6.196 1.153
39 HD1 TYR 5 HD1 TYR 5 6.471 -6.141 3.969
40 HD2 TYR 5 HD2 TYR 5 3.201 -4.946 1.523
41 HE1 TYR 5 HE1 TYR 5 4.926 -6.572 5.833
42 HE2 TYR 5 HE2 TYR 5 1.647 -5.373 3.381
43 HH TYR 5 HH TYR 5 2.541 -7.082 6.168
44 H SER 6 H SER 6 8.465 -3.491 -0.097
45 HA SER 6 HA SER 6 10.100 -5.778 -0.465
46 HB2 SER 6 2HB SER 6 9.885 -3.079 -1.630
47 HB3 SER 6 3HB SER 6 11.506 -3.773 -1.677
48 HG SER 6 HG SER 6 9.948 -4.245 -3.477
49 H ARG 7 H ARG 7 10.242 -3.147 1.708
50 HA ARG 7 HA ARG 7 13.099 -3.461 2.203
51 HB2 ARG 7 2HB ARG 7 12.724 -1.610 3.860
52 HB3 ARG 7 3HB ARG 7 12.350 -1.193 2.193
53 HG2 ARG 7 2HG ARG 7 10.050 -1.211 2.578
54 HG3 ARG 7 3HG ARG 7 10.218 -2.126 4.078
55 HD2 ARG 7 2HD ARG 7 11.469 0.576 3.834
56 HD3 ARG 7 3HD ARG 7 9.740 0.439 4.150
57 HE ARG 7 HE ARG 7 11.256 -1.177 5.933
58 HH11 ARG 7 1HH1 ARG 7 10.275 2.103 5.301
59 HH12 ARG 7 2HH1 ARG 7 10.396 2.596 6.958
60 HH21 ARG 7 1HH2 ARG 7 11.419 -0.540 8.117
61 HH22 ARG 7 2HH2 ARG 7 11.047 1.093 8.559
62 H VAL 8 H VAL 8 10.016 -4.310 3.571
63 HA VAL 8 HA VAL 8 10.935 -4.955 6.183
64 HB VAL 8 HB VAL 8 8.486 -5.886 4.680
65 HG11 VAL 8 1HG1 VAL 8 9.005 -7.501 6.392
66 HG12 VAL 8 2HG1 VAL 8 9.222 -6.220 7.586
67 HG13 VAL 8 3HG1 VAL 8 7.624 -6.534 6.909
68 HG21 VAL 8 1HG2 VAL 8 8.165 -3.626 4.996
69 HG22 VAL 8 2HG2 VAL 8 7.461 -4.285 6.473
70 HG23 VAL 8 3HG2 VAL 8 9.084 -3.596 6.501
71 H LYS 9 H LYS 9 9.648 -7.239 3.775
72 HA LYS 9 HA LYS 9 10.942 -9.472 4.920
73 HB2 LYS 9 2HB LYS 9 9.769 -9.099 2.159
74 HB3 LYS 9 3HB LYS 9 10.269 -10.645 2.832
75 HG2 LYS 9 2HG LYS 9 8.207 -8.904 4.148
76 HG3 LYS 9 3HG LYS 9 7.801 -10.110 2.925
77 HD2 LYS 9 2HD LYS 9 9.488 -11.381 4.793
78 HD3 LYS 9 3HD LYS 9 8.296 -10.469 5.722
79 HE2 LYS 9 2HE LYS 9 7.249 -11.984 3.421
80 HE3 LYS 9 3HE LYS 9 7.879 -12.953 4.752
81 HZ1 LYS 9 1HZ LYS 9 6.419 -11.693 6.256
82 HZ2 LYS 9 2HZ LYS 9 5.552 -12.549 5.083
83 HZ3 LYS 9 3HZ LYS 9 5.762 -10.878 4.927
Start of MODEL 9
1 H1 THR 1 H THR 1 2.842 2.112 -0.099
2 HA THR 1 HA THR 1 2.406 0.655 -2.317
3 HB THR 1 HB THR 1 5.259 1.400 -1.854
4 HG1 THR 1 HG1 THR 1 3.183 3.325 -2.189
5 HG21 THR 1 1HG2 THR 1 3.456 1.029 -4.074
6 HG22 THR 1 2HG2 THR 1 5.211 1.202 -4.076
7 HG23 THR 1 3HG2 THR 1 4.183 2.634 -4.126
8 H VAL 2 H VAL 2 3.619 -0.992 -3.471
9 HA VAL 2 HA VAL 2 3.863 -3.385 -2.148
10 HB VAL 2 HB VAL 2 5.374 -4.088 -4.076
11 HG11 VAL 2 1HG1 VAL 2 3.500 -4.606 -5.177
12 HG12 VAL 2 2HG1 VAL 2 2.654 -3.716 -3.910
13 HG13 VAL 2 3HG1 VAL 2 3.075 -2.912 -5.423
14 HG21 VAL 2 1HG2 VAL 2 4.849 -1.227 -4.857
15 HG22 VAL 2 2HG2 VAL 2 6.411 -2.016 -4.637
16 HG23 VAL 2 3HG2 VAL 2 5.378 -2.467 -5.993
17 H TYR 3 H TYR 3 6.470 -1.099 -2.932
18 HA TYR 3 HA TYR 3 8.602 -2.577 -1.909
19 HB2 TYR 3 2HB TYR 3 8.128 0.347 -2.354
20 HB3 TYR 3 3HB TYR 3 9.581 -0.177 -1.510
21 HD1 TYR 3 HD1 TYR 3 11.405 -1.144 -2.689
22 HD2 TYR 3 HD2 TYR 3 7.733 -0.393 -4.703
23 HE1 TYR 3 HE1 TYR 3 12.505 -1.579 -4.845
24 HE2 TYR 3 HE2 TYR 3 8.823 -0.828 -6.865
25 HH TYR 3 HH TYR 3 11.300 -0.683 -7.738
26 H VAL 4 H VAL 4 6.272 -0.502 -0.306
27 HA VAL 4 HA VAL 4 7.534 -0.172 2.159
28 HB VAL 4 HB VAL 4 4.560 -0.520 1.778
29 HG11 VAL 4 1HG1 VAL 4 4.807 -0.344 4.039
30 HG12 VAL 4 2HG1 VAL 4 6.308 0.576 3.917
31 HG13 VAL 4 3HG1 VAL 4 4.760 1.369 3.622
32 HG21 VAL 4 1HG2 VAL 4 4.582 1.992 1.509
33 HG22 VAL 4 2HG2 VAL 4 6.322 1.864 1.252
34 HG23 VAL 4 3HG2 VAL 4 5.206 1.069 0.142
35 H TYR 5 H TYR 5 5.839 -2.909 0.820
36 HA TYR 5 HA TYR 5 5.835 -4.307 3.378
37 HB2 TYR 5 2HB TYR 5 4.094 -4.349 1.255
38 HB3 TYR 5 3HB TYR 5 5.026 -5.819 0.995
39 HD1 TYR 5 HD1 TYR 5 4.002 -7.708 1.811
40 HD2 TYR 5 HD2 TYR 5 3.562 -4.063 3.961
41 HE1 TYR 5 HE1 TYR 5 2.638 -8.873 3.494
42 HE2 TYR 5 HE2 TYR 5 2.198 -5.218 5.651
43 HH TYR 5 HH TYR 5 0.697 -7.930 5.262
44 H SER 6 H SER 6 7.828 -3.935 0.671
45 HA SER 6 HA SER 6 9.092 -6.548 0.952
46 HB2 SER 6 2HB SER 6 9.057 -4.424 -1.090
47 HB3 SER 6 3HB SER 6 10.626 -5.197 -0.864
48 HG SER 6 HG SER 6 9.856 -6.782 -1.987
49 H ARG 7 H ARG 7 9.452 -3.339 2.065
50 HA ARG 7 HA ARG 7 12.240 -3.209 2.421
51 HB2 ARG 7 2HB ARG 7 11.838 -1.349 3.832
52 HB3 ARG 7 3HB ARG 7 10.572 -1.310 2.613
53 HG2 ARG 7 2HG ARG 7 9.125 -2.536 4.316
54 HG3 ARG 7 3HG ARG 7 10.364 -2.102 5.496
55 HD2 ARG 7 2HD ARG 7 9.617 0.173 3.884
56 HD3 ARG 7 3HD ARG 7 8.205 -0.544 4.659
57 HE ARG 7 HE ARG 7 10.237 -0.303 6.568
58 HH11 ARG 7 1HH1 ARG 7 8.143 1.710 4.648
59 HH12 ARG 7 2HH1 ARG 7 8.115 3.004 5.800
60 HH21 ARG 7 1HH2 ARG 7 10.208 1.394 8.092
61 HH22 ARG 7 2HH2 ARG 7 9.291 2.824 7.758
62 H VAL 8 H VAL 8 9.708 -4.751 4.255
63 HA VAL 8 HA VAL 8 10.964 -5.094 6.714
64 HB VAL 8 HB VAL 8 9.185 -7.141 5.391
65 HG11 VAL 8 1HG1 VAL 8 8.471 -7.290 7.906
66 HG12 VAL 8 2HG1 VAL 8 9.912 -8.133 7.335
67 HG13 VAL 8 3HG1 VAL 8 10.067 -6.596 8.187
68 HG21 VAL 8 1HG2 VAL 8 7.871 -5.265 5.180
69 HG22 VAL 8 2HG2 VAL 8 7.417 -5.813 6.793
70 HG23 VAL 8 3HG2 VAL 8 8.563 -4.487 6.603
71 H LYS 9 H LYS 9 11.409 -6.785 3.686
72 HA LYS 9 HA LYS 9 13.852 -7.963 4.661
73 HB2 LYS 9 2HB LYS 9 13.283 -10.260 4.281
74 HB3 LYS 9 3HB LYS 9 12.080 -9.583 5.371
75 HG2 LYS 9 2HG LYS 9 10.961 -9.161 2.902
76 HG3 LYS 9 3HG LYS 9 11.768 -10.720 2.711
77 HD2 LYS 9 2HD LYS 9 10.638 -11.484 4.798
78 HD3 LYS 9 3HD LYS 9 9.739 -9.965 4.812
79 HE2 LYS 9 2HE LYS 9 9.684 -12.055 2.637
80 HE3 LYS 9 3HE LYS 9 8.413 -11.751 3.821
81 HZ1 LYS 9 1HZ LYS 9 8.768 -9.320 2.724
82 HZ2 LYS 9 2HZ LYS 9 7.584 -10.427 2.242
83 HZ3 LYS 9 3HZ LYS 9 9.044 -10.328 1.393
Start of MODEL 10
1 H1 THR 1 H THR 1 2.095 0.231 1.197
2 HA THR 1 HA THR 1 1.509 -0.331 -1.537
3 HB THR 1 HB THR 1 4.231 0.600 -1.022
4 HG1 THR 1 HG1 THR 1 3.463 2.641 -0.161
5 HG21 THR 1 1HG2 THR 1 2.473 0.800 -3.052
6 HG22 THR 1 2HG2 THR 1 3.805 1.930 -2.809
7 HG23 THR 1 3HG2 THR 1 2.184 2.343 -2.250
8 H VAL 2 H VAL 2 3.671 -0.921 -2.891
9 HA VAL 2 HA VAL 2 4.286 -3.652 -2.060
10 HB VAL 2 HB VAL 2 5.240 -2.538 -4.656
11 HG11 VAL 2 1HG1 VAL 2 5.690 -4.877 -3.861
12 HG12 VAL 2 2HG1 VAL 2 3.958 -5.184 -4.003
13 HG13 VAL 2 3HG1 VAL 2 4.899 -4.761 -5.433
14 HG21 VAL 2 1HG2 VAL 2 3.057 -1.659 -4.717
15 HG22 VAL 2 2HG2 VAL 2 2.971 -3.173 -5.617
16 HG23 VAL 2 3HG2 VAL 2 2.368 -3.096 -3.961
17 H TYR 3 H TYR 3 6.149 -1.038 -3.622
18 HA TYR 3 HA TYR 3 8.665 -2.060 -2.919
19 HB2 TYR 3 2HB TYR 3 7.612 0.425 -4.075
20 HB3 TYR 3 3HB TYR 3 9.107 0.638 -3.170
21 HD1 TYR 3 HD1 TYR 3 7.582 -1.384 -5.896
22 HD2 TYR 3 HD2 TYR 3 11.162 0.108 -4.148
23 HE1 TYR 3 HE1 TYR 3 8.861 -2.206 -7.829
24 HE2 TYR 3 HE2 TYR 3 12.451 -0.710 -6.076
25 HH TYR 3 HH TYR 3 12.261 -1.455 -8.236
26 H VAL 4 H VAL 4 6.442 0.040 -1.222
27 HA VAL 4 HA VAL 4 8.265 0.944 0.763
28 HB VAL 4 HB VAL 4 5.249 0.781 0.802
29 HG11 VAL 4 1HG1 VAL 4 7.145 2.147 2.708
30 HG12 VAL 4 2HG1 VAL 4 5.398 2.393 2.675
31 HG13 VAL 4 3HG1 VAL 4 6.059 0.807 3.073
32 HG21 VAL 4 1HG2 VAL 4 5.742 3.377 0.642
33 HG22 VAL 4 2HG2 VAL 4 7.226 2.802 -0.117
34 HG23 VAL 4 3HG2 VAL 4 5.660 2.360 -0.796
35 H TYR 5 H TYR 5 6.259 -1.891 0.411
36 HA TYR 5 HA TYR 5 6.618 -2.716 3.161
37 HB2 TYR 5 2HB TYR 5 4.524 -3.221 1.950
38 HB3 TYR 5 3HB TYR 5 5.430 -4.222 0.821
39 HD1 TYR 5 HD1 TYR 5 5.816 -6.483 1.287
40 HD2 TYR 5 HD2 TYR 5 4.542 -3.898 4.417
41 HE1 TYR 5 HE1 TYR 5 5.516 -8.428 2.762
42 HE2 TYR 5 HE2 TYR 5 4.240 -5.836 5.902
43 HH TYR 5 HH TYR 5 4.333 -9.069 4.745
44 H SER 6 H SER 6 8.360 -2.944 0.271
45 HA SER 6 HA SER 6 9.557 -5.478 0.526
46 HB2 SER 6 2HB SER 6 9.602 -3.750 -1.445
47 HB3 SER 6 3HB SER 6 11.051 -3.151 -0.638
48 HG SER 6 HG SER 6 10.810 -5.903 -1.083
49 H ARG 7 H ARG 7 9.966 -2.591 2.304
50 HA ARG 7 HA ARG 7 12.619 -2.683 3.098
51 HB2 ARG 7 2HB ARG 7 12.004 -1.323 4.938
52 HB3 ARG 7 3HB ARG 7 10.890 -0.910 3.642
53 HG2 ARG 7 2HG ARG 7 9.326 -2.642 4.747
54 HG3 ARG 7 3HG ARG 7 10.377 -2.448 6.152
55 HD2 ARG 7 2HD ARG 7 9.865 0.147 5.335
56 HD3 ARG 7 3HD ARG 7 8.327 -0.682 5.099
57 HE ARG 7 HE ARG 7 9.480 -1.254 7.646
58 HH11 ARG 7 1HH1 ARG 7 7.648 1.105 5.858
59 HH12 ARG 7 2HH1 ARG 7 6.880 1.766 7.263
60 HH21 ARG 7 1HH2 ARG 7 8.474 -0.394 9.503
61 HH22 ARG 7 2HH2 ARG 7 7.351 0.913 9.336
62 H VAL 8 H VAL 8 9.929 -4.675 4.072
63 HA VAL 8 HA VAL 8 11.123 -5.782 6.402
64 HB VAL 8 HB VAL 8 8.920 -6.852 4.634
65 HG11 VAL 8 1HG1 VAL 8 9.933 -8.690 5.822
66 HG12 VAL 8 2HG1 VAL 8 9.865 -7.792 7.339
67 HG13 VAL 8 3HG1 VAL 8 8.374 -8.312 6.554
68 HG21 VAL 8 1HG2 VAL 8 8.081 -4.915 5.587
69 HG22 VAL 8 2HG2 VAL 8 7.588 -6.149 6.747
70 HG23 VAL 8 3HG2 VAL 8 8.990 -5.133 7.083
71 H LYS 9 H LYS 9 10.339 -7.531 3.402
72 HA LYS 9 HA LYS 9 13.024 -8.660 3.330
73 HB2 LYS 9 2HB LYS 9 12.291 -10.946 3.339
74 HB3 LYS 9 3HB LYS 9 11.650 -10.163 4.777
75 HG2 LYS 9 2HG LYS 9 9.628 -9.789 2.984
76 HG3 LYS 9 3HG LYS 9 10.256 -11.370 2.514
77 HD2 LYS 9 2HD LYS 9 9.731 -12.330 4.546
78 HD3 LYS 9 3HD LYS 9 9.768 -10.787 5.402
79 HE2 LYS 9 2HE LYS 9 7.724 -10.228 3.869
80 HE3 LYS 9 3HE LYS 9 7.604 -11.981 3.726
81 HZ1 LYS 9 1HZ LYS 9 6.543 -11.979 5.653
82 HZ2 LYS 9 2HZ LYS 9 6.799 -10.320 5.863
83 HZ3 LYS 9 3HZ LYS 9 7.949 -11.430 6.417
Start of MODEL 11
1 H1 THR 1 H THR 1 3.052 -0.079 -0.018
2 HA THR 1 HA THR 1 2.449 -2.678 0.209
3 HB THR 1 HB THR 1 2.235 -1.361 -2.495
4 HG1 THR 1 HG1 THR 1 0.420 -1.024 -0.329
5 HG21 THR 1 1HG2 THR 1 1.346 -3.809 -1.510
6 HG22 THR 1 2HG2 THR 1 0.800 -3.003 -2.981
7 HG23 THR 1 3HG2 THR 1 -0.078 -2.770 -1.470
8 H VAL 2 H VAL 2 4.286 -1.521 -2.627
9 HA VAL 2 HA VAL 2 5.288 -4.225 -3.059
10 HB VAL 2 HB VAL 2 6.105 -1.941 -4.794
11 HG11 VAL 2 1HG1 VAL 2 5.284 -4.043 -6.357
12 HG12 VAL 2 2HG1 VAL 2 6.942 -3.731 -5.842
13 HG13 VAL 2 3HG1 VAL 2 5.929 -4.849 -4.928
14 HG21 VAL 2 1HG2 VAL 2 3.822 -1.399 -4.612
15 HG22 VAL 2 2HG2 VAL 2 3.958 -2.333 -6.102
16 HG23 VAL 2 3HG2 VAL 2 3.333 -3.094 -4.638
17 H TYR 3 H TYR 3 6.785 -0.985 -3.131
18 HA TYR 3 HA TYR 3 9.310 -2.175 -2.273
19 HB2 TYR 3 2HB TYR 3 8.552 0.481 -3.461
20 HB3 TYR 3 3HB TYR 3 10.120 0.248 -2.695
21 HD1 TYR 3 HD1 TYR 3 8.868 0.586 -5.748
22 HD2 TYR 3 HD2 TYR 3 10.945 -2.387 -3.522
23 HE1 TYR 3 HE1 TYR 3 9.744 -0.362 -7.842
24 HE2 TYR 3 HE2 TYR 3 11.827 -3.342 -5.610
25 HH TYR 3 HH TYR 3 11.123 -1.855 -8.753
26 H VAL 4 H VAL 4 6.813 0.007 -1.171
27 HA VAL 4 HA VAL 4 8.229 1.061 1.058
28 HB VAL 4 HB VAL 4 5.260 0.865 0.539
29 HG11 VAL 4 1HG1 VAL 4 6.763 2.377 2.671
30 HG12 VAL 4 2HG1 VAL 4 5.054 2.600 2.294
31 HG13 VAL 4 3HG1 VAL 4 5.627 1.051 2.915
32 HG21 VAL 4 1HG2 VAL 4 5.468 3.254 -0.011
33 HG22 VAL 4 2HG2 VAL 4 7.214 3.142 0.213
34 HG23 VAL 4 3HG2 VAL 4 6.432 2.239 -1.084
35 H TYR 5 H TYR 5 6.305 -1.806 0.528
36 HA TYR 5 HA TYR 5 6.296 -2.457 3.371
37 HB2 TYR 5 2HB TYR 5 4.386 -2.857 1.561
38 HB3 TYR 5 3HB TYR 5 5.271 -4.359 1.317
39 HD1 TYR 5 HD1 TYR 5 5.394 -6.033 3.093
40 HD2 TYR 5 HD2 TYR 5 3.171 -2.443 3.609
41 HE1 TYR 5 HE1 TYR 5 4.260 -7.023 5.038
42 HE2 TYR 5 HE2 TYR 5 2.031 -3.422 5.556
43 HH TYR 5 HH TYR 5 1.524 -6.014 6.280
44 H SER 6 H SER 6 8.206 -2.989 0.631
45 HA SER 6 HA SER 6 9.177 -5.597 1.242
46 HB2 SER 6 2HB SER 6 9.809 -3.465 -0.695
47 HB3 SER 6 3HB SER 6 11.176 -4.483 -0.242
48 HG SER 6 HG SER 6 10.267 -6.156 -1.192
49 H ARG 7 H ARG 7 9.790 -2.487 2.511
50 HA ARG 7 HA ARG 7 12.437 -2.579 3.289
51 HB2 ARG 7 2HB ARG 7 11.911 -0.945 4.923
52 HB3 ARG 7 3HB ARG 7 10.786 -0.680 3.597
53 HG2 ARG 7 2HG ARG 7 9.150 -2.117 4.932
54 HG3 ARG 7 3HG ARG 7 10.255 -1.884 6.288
55 HD2 ARG 7 2HD ARG 7 9.406 0.516 4.761
56 HD3 ARG 7 3HD ARG 7 8.220 -0.244 5.821
57 HE ARG 7 HE ARG 7 10.494 1.296 6.611
58 HH11 ARG 7 1HH1 ARG 7 8.375 -1.298 7.561
59 HH12 ARG 7 2HH1 ARG 7 8.645 -1.072 9.257
60 HH21 ARG 7 1HH2 ARG 7 10.858 1.603 8.842
61 HH22 ARG 7 2HH2 ARG 7 10.057 0.578 9.985
62 H VAL 8 H VAL 8 9.697 -4.304 4.583
63 HA VAL 8 HA VAL 8 10.904 -5.110 7.029
64 HB VAL 8 HB VAL 8 8.616 -6.327 5.478
65 HG11 VAL 8 1HG1 VAL 8 9.583 -8.018 6.899
66 HG12 VAL 8 2HG1 VAL 8 9.592 -6.909 8.272
67 HG13 VAL 8 3HG1 VAL 8 8.061 -7.471 7.601
68 HG21 VAL 8 1HG2 VAL 8 7.875 -4.241 6.157
69 HG22 VAL 8 2HG2 VAL 8 7.370 -5.270 7.497
70 HG23 VAL 8 3HG2 VAL 8 8.819 -4.276 7.647
71 H LYS 9 H LYS 9 9.974 -7.237 4.330
72 HA LYS 9 HA LYS 9 11.663 -9.339 5.035
73 HB2 LYS 9 2HB LYS 9 10.459 -8.556 2.382
74 HB3 LYS 9 3HB LYS 9 11.381 -10.037 2.605
75 HG2 LYS 9 2HG LYS 9 9.786 -10.884 4.161
76 HG3 LYS 9 3HG LYS 9 8.933 -9.339 4.208
77 HD2 LYS 9 2HD LYS 9 7.589 -10.409 2.723
78 HD3 LYS 9 3HD LYS 9 8.797 -9.811 1.582
79 HE2 LYS 9 2HE LYS 9 9.899 -12.172 2.420
80 HE3 LYS 9 3HE LYS 9 8.177 -12.548 2.413
81 HZ1 LYS 9 1HZ LYS 9 9.704 -12.747 0.265
82 HZ2 LYS 9 2HZ LYS 9 9.210 -11.139 0.084
83 HZ3 LYS 9 3HZ LYS 9 8.056 -12.373 0.180
Start of MODEL 12
1 H1 THR 1 H THR 1 3.315 1.846 -1.547
2 HA THR 1 HA THR 1 1.962 0.038 -0.161
3 HB THR 1 HB THR 1 1.994 -0.120 -3.178
4 HG1 THR 1 HG1 THR 1 0.433 1.620 -1.551
5 HG21 THR 1 1HG2 THR 1 0.272 -1.509 -2.929
6 HG22 THR 1 2HG2 THR 1 -0.599 -0.274 -2.020
7 HG23 THR 1 3HG2 THR 1 0.446 -1.416 -1.177
8 H VAL 2 H VAL 2 3.690 -1.115 -3.060
9 HA VAL 2 HA VAL 2 3.853 -3.773 -1.869
10 HB VAL 2 HB VAL 2 4.972 -3.181 -4.569
11 HG11 VAL 2 1HG1 VAL 2 5.093 -5.402 -4.496
12 HG12 VAL 2 2HG1 VAL 2 4.111 -5.472 -3.032
13 HG13 VAL 2 3HG1 VAL 2 3.334 -5.427 -4.615
14 HG21 VAL 2 1HG2 VAL 2 2.626 -3.544 -5.480
15 HG22 VAL 2 2HG2 VAL 2 2.050 -3.150 -3.860
16 HG23 VAL 2 3HG2 VAL 2 2.969 -1.961 -4.783
17 H TYR 3 H TYR 3 6.126 -1.735 -3.719
18 HA TYR 3 HA TYR 3 8.437 -3.065 -2.858
19 HB2 TYR 3 2HB TYR 3 8.316 -1.563 -4.837
20 HB3 TYR 3 3HB TYR 3 8.206 -0.183 -3.750
21 HD1 TYR 3 HD1 TYR 3 10.378 -3.197 -3.490
22 HD2 TYR 3 HD2 TYR 3 10.178 1.005 -4.128
23 HE1 TYR 3 HE1 TYR 3 12.833 -3.074 -3.408
24 HE2 TYR 3 HE2 TYR 3 12.633 1.140 -4.049
25 HH TYR 3 HH TYR 3 14.580 -1.441 -2.965
26 H VAL 4 H VAL 4 6.588 -0.465 -1.435
27 HA VAL 4 HA VAL 4 8.546 0.373 0.448
28 HB VAL 4 HB VAL 4 5.540 0.669 0.485
29 HG11 VAL 4 1HG1 VAL 4 7.638 1.947 2.234
30 HG12 VAL 4 2HG1 VAL 4 5.946 2.443 2.163
31 HG13 VAL 4 3HG1 VAL 4 6.371 0.832 2.743
32 HG21 VAL 4 1HG2 VAL 4 7.687 2.050 -0.887
33 HG22 VAL 4 2HG2 VAL 4 5.943 2.162 -1.123
34 HG23 VAL 4 3HG2 VAL 4 6.730 3.143 0.113
35 H TYR 5 H TYR 5 6.113 -2.136 0.417
36 HA TYR 5 HA TYR 5 6.336 -2.686 3.239
37 HB2 TYR 5 2HB TYR 5 4.222 -3.079 2.046
38 HB3 TYR 5 3HB TYR 5 5.015 -4.280 1.031
39 HD1 TYR 5 HD1 TYR 5 4.533 -6.460 1.574
40 HD2 TYR 5 HD2 TYR 5 4.723 -3.580 4.699
41 HE1 TYR 5 HE1 TYR 5 3.987 -8.211 3.212
42 HE2 TYR 5 HE2 TYR 5 4.178 -5.323 6.347
43 HH TYR 5 HH TYR 5 4.133 -8.682 5.521
44 H SER 6 H SER 6 8.106 -3.470 0.467
45 HA SER 6 HA SER 6 9.003 -6.071 1.225
46 HB2 SER 6 2HB SER 6 10.192 -4.056 -0.696
47 HB3 SER 6 3HB SER 6 10.725 -5.729 -0.534
48 HG SER 6 HG SER 6 9.278 -5.768 -2.165
49 H ARG 7 H ARG 7 9.797 -2.899 2.211
50 HA ARG 7 HA ARG 7 12.493 -3.146 2.891
51 HB2 ARG 7 2HB ARG 7 12.198 -1.234 4.258
52 HB3 ARG 7 3HB ARG 7 11.072 -1.047 2.920
53 HG2 ARG 7 2HG ARG 7 9.660 -0.511 4.593
54 HG3 ARG 7 3HG ARG 7 9.455 -2.263 4.662
55 HD2 ARG 7 2HD ARG 7 10.735 -2.472 6.567
56 HD3 ARG 7 3HD ARG 7 11.627 -0.983 6.255
57 HE ARG 7 HE ARG 7 9.176 -1.252 7.709
58 HH11 ARG 7 1HH1 ARG 7 11.086 0.902 5.751
59 HH12 ARG 7 2HH1 ARG 7 10.392 2.340 6.424
60 HH21 ARG 7 1HH2 ARG 7 8.254 0.633 8.602
61 HH22 ARG 7 2HH2 ARG 7 8.782 2.185 8.047
62 H VAL 8 H VAL 8 9.617 -4.330 4.467
63 HA VAL 8 HA VAL 8 10.787 -4.882 6.997
64 HB VAL 8 HB VAL 8 8.354 -6.076 5.665
65 HG11 VAL 8 1HG1 VAL 8 9.322 -6.313 8.511
66 HG12 VAL 8 2HG1 VAL 8 7.727 -6.811 7.943
67 HG13 VAL 8 3HG1 VAL 8 9.173 -7.616 7.333
68 HG21 VAL 8 1HG2 VAL 8 8.798 -3.762 7.514
69 HG22 VAL 8 2HG2 VAL 8 7.880 -3.824 6.010
70 HG23 VAL 8 3HG2 VAL 8 7.244 -4.594 7.463
71 H LYS 9 H LYS 9 9.585 -7.288 4.665
72 HA LYS 9 HA LYS 9 11.249 -9.344 5.694
73 HB2 LYS 9 2HB LYS 9 10.384 -10.710 3.907
74 HB3 LYS 9 3HB LYS 9 9.070 -9.736 4.555
75 HG2 LYS 9 2HG LYS 9 9.438 -8.138 2.666
76 HG3 LYS 9 3HG LYS 9 10.572 -9.306 1.984
77 HD2 LYS 9 2HD LYS 9 7.889 -10.312 2.744
78 HD3 LYS 9 3HD LYS 9 7.981 -9.254 1.334
79 HE2 LYS 9 2HE LYS 9 10.031 -11.350 1.423
80 HE3 LYS 9 3HE LYS 9 8.378 -11.952 1.301
81 HZ1 LYS 9 1HZ LYS 9 8.686 -9.807 -0.478
82 HZ2 LYS 9 2HZ LYS 9 8.375 -11.431 -0.835
83 HZ3 LYS 9 3HZ LYS 9 9.971 -10.880 -0.724
Start of MODEL 13
1 H1 THR 1 H THR 1 2.556 0.103 1.393
2 HA THR 1 HA THR 1 1.539 -0.140 -1.355
3 HB THR 1 HB THR 1 4.398 0.430 -1.046
4 HG1 THR 1 HG1 THR 1 3.636 2.750 -0.540
5 HG21 THR 1 1HG2 THR 1 2.590 2.326 -2.395
6 HG22 THR 1 2HG2 THR 1 2.561 0.677 -3.021
7 HG23 THR 1 3HG2 THR 1 4.078 1.574 -2.968
8 H VAL 2 H VAL 2 3.575 -1.110 -2.747
9 HA VAL 2 HA VAL 2 3.799 -3.849 -1.760
10 HB VAL 2 HB VAL 2 4.829 -3.047 -4.440
11 HG11 VAL 2 1HG1 VAL 2 4.922 -5.381 -3.473
12 HG12 VAL 2 2HG1 VAL 2 3.166 -5.421 -3.636
13 HG13 VAL 2 3HG1 VAL 2 4.182 -5.233 -5.066
14 HG21 VAL 2 1HG2 VAL 2 1.931 -3.119 -3.649
15 HG22 VAL 2 2HG2 VAL 2 2.802 -1.851 -4.512
16 HG23 VAL 2 3HG2 VAL 2 2.462 -3.387 -5.309
17 H TYR 3 H TYR 3 5.983 -1.642 -3.522
18 HA TYR 3 HA TYR 3 8.341 -2.985 -2.832
19 HB2 TYR 3 2HB TYR 3 7.638 -0.715 -4.346
20 HB3 TYR 3 3HB TYR 3 8.824 -0.164 -3.168
21 HD1 TYR 3 HD1 TYR 3 8.230 -2.515 -5.950
22 HD2 TYR 3 HD2 TYR 3 11.117 -0.802 -3.336
23 HE1 TYR 3 HE1 TYR 3 10.033 -3.439 -7.346
24 HE2 TYR 3 HE2 TYR 3 12.928 -1.720 -4.725
25 HH TYR 3 HH TYR 3 12.265 -3.893 -7.406
26 H VAL 4 H VAL 4 6.494 -0.539 -1.155
27 HA VAL 4 HA VAL 4 8.489 0.188 0.731
28 HB VAL 4 HB VAL 4 5.480 0.403 0.888
29 HG11 VAL 4 1HG1 VAL 4 7.626 1.519 2.683
30 HG12 VAL 4 2HG1 VAL 4 5.959 2.099 2.668
31 HG13 VAL 4 3HG1 VAL 4 6.310 0.431 3.124
32 HG21 VAL 4 1HG2 VAL 4 7.482 2.590 0.381
33 HG22 VAL 4 2HG2 VAL 4 6.725 1.671 -0.920
34 HG23 VAL 4 3HG2 VAL 4 5.732 2.639 0.168
35 H TYR 5 H TYR 5 6.152 -2.394 0.551
36 HA TYR 5 HA TYR 5 6.389 -3.149 3.313
37 HB2 TYR 5 2HB TYR 5 4.841 -3.999 0.988
38 HB3 TYR 5 3HB TYR 5 5.380 -5.352 1.975
39 HD1 TYR 5 HD1 TYR 5 3.671 -6.096 3.330
40 HD2 TYR 5 HD2 TYR 5 4.164 -1.906 2.778
41 HE1 TYR 5 HE1 TYR 5 1.835 -5.678 4.912
42 HE2 TYR 5 HE2 TYR 5 2.330 -1.476 4.359
43 HH TYR 5 HH TYR 5 1.183 -2.586 6.195
44 H SER 6 H SER 6 8.277 -3.596 0.543
45 HA SER 6 HA SER 6 9.331 -6.173 1.019
46 HB2 SER 6 2HB SER 6 9.555 -4.977 -1.140
47 HB3 SER 6 3HB SER 6 10.654 -3.831 -0.373
48 HG SER 6 HG SER 6 12.187 -5.214 -0.696
49 H ARG 7 H ARG 7 9.808 -3.175 2.584
50 HA ARG 7 HA ARG 7 12.452 -3.536 3.526
51 HB2 ARG 7 2HB ARG 7 12.036 -1.707 4.972
52 HB3 ARG 7 3HB ARG 7 11.114 -1.382 3.511
53 HG2 ARG 7 2HG ARG 7 9.143 -2.452 4.758
54 HG3 ARG 7 3HG ARG 7 10.126 -2.224 6.206
55 HD2 ARG 7 2HD ARG 7 10.144 0.116 5.950
56 HD3 ARG 7 3HD ARG 7 9.563 0.018 4.288
57 HE ARG 7 HE ARG 7 7.422 -0.091 5.083
58 HH11 ARG 7 1HH1 ARG 7 9.635 -0.775 7.682
59 HH12 ARG 7 2HH1 ARG 7 8.407 -0.772 8.903
60 HH21 ARG 7 1HH2 ARG 7 5.795 -0.083 6.683
61 HH22 ARG 7 2HH2 ARG 7 6.223 -0.379 8.334
62 H VAL 8 H VAL 8 9.344 -4.692 4.604
63 HA VAL 8 HA VAL 8 10.127 -5.460 7.224
64 HB VAL 8 HB VAL 8 7.868 -6.460 5.486
65 HG11 VAL 8 1HG1 VAL 8 8.392 -8.142 7.134
66 HG12 VAL 8 2HG1 VAL 8 8.415 -6.928 8.414
67 HG13 VAL 8 3HG1 VAL 8 6.903 -7.318 7.595
68 HG21 VAL 8 1HG2 VAL 8 7.401 -4.231 5.919
69 HG22 VAL 8 2HG2 VAL 8 6.575 -5.058 7.240
70 HG23 VAL 8 3HG2 VAL 8 8.134 -4.282 7.522
71 H LYS 9 H LYS 9 9.189 -7.655 4.582
72 HA LYS 9 HA LYS 9 9.876 -9.763 4.058
73 HB2 LYS 9 2HB LYS 9 12.400 -8.256 4.582
74 HB3 LYS 9 3HB LYS 9 12.500 -9.994 4.328
75 HG2 LYS 9 2HG LYS 9 11.185 -8.083 2.410
76 HG3 LYS 9 3HG LYS 9 12.858 -8.633 2.281
77 HD2 LYS 9 2HD LYS 9 11.745 -11.011 2.435
78 HD3 LYS 9 3HD LYS 9 10.319 -10.141 1.862
79 HE2 LYS 9 2HE LYS 9 11.126 -10.399 -0.197
80 HE3 LYS 9 3HE LYS 9 12.373 -9.232 0.237
81 HZ1 LYS 9 1HZ LYS 9 12.686 -12.115 0.806
82 HZ2 LYS 9 2HZ LYS 9 13.882 -10.922 0.729
83 HZ3 LYS 9 3HZ LYS 9 13.128 -11.456 -0.688
Start of MODEL 14
1 H1 THR 1 H THR 1 3.545 1.795 -0.979
2 HA THR 1 HA THR 1 2.103 -0.124 0.462
3 HB THR 1 HB THR 1 2.026 0.352 -2.524
4 HG1 THR 1 HG1 THR 1 1.508 2.275 -1.606
5 HG21 THR 1 1HG2 THR 1 0.863 -1.661 -2.070
6 HG22 THR 1 2HG2 THR 1 -0.374 -0.410 -2.192
7 HG23 THR 1 3HG2 THR 1 0.133 -0.996 -0.609
8 H VAL 2 H VAL 2 3.637 -0.736 -2.696
9 HA VAL 2 HA VAL 2 3.958 -3.540 -1.961
10 HB VAL 2 HB VAL 2 4.834 -2.492 -4.611
11 HG11 VAL 2 1HG1 VAL 2 3.142 -4.902 -4.188
12 HG12 VAL 2 2HG1 VAL 2 4.446 -4.624 -5.344
13 HG13 VAL 2 3HG1 VAL 2 4.821 -4.950 -3.651
14 HG21 VAL 2 1HG2 VAL 2 2.795 -1.323 -4.465
15 HG22 VAL 2 2HG2 VAL 2 2.427 -2.785 -5.380
16 HG23 VAL 2 3HG2 VAL 2 1.982 -2.675 -3.677
17 H TYR 3 H TYR 3 6.025 -1.159 -3.635
18 HA TYR 3 HA TYR 3 8.428 -2.525 -3.196
19 HB2 TYR 3 2HB TYR 3 7.646 -0.205 -4.524
20 HB3 TYR 3 3HB TYR 3 8.781 0.359 -3.303
21 HD1 TYR 3 HD1 TYR 3 8.516 -2.479 -5.732
22 HD2 TYR 3 HD2 TYR 3 10.976 0.512 -3.970
23 HE1 TYR 3 HE1 TYR 3 10.390 -3.191 -7.156
24 HE2 TYR 3 HE2 TYR 3 12.858 -0.191 -5.390
25 HH TYR 3 HH TYR 3 13.324 -1.366 -7.380
26 H VAL 4 H VAL 4 6.638 -0.298 -1.196
27 HA VAL 4 HA VAL 4 8.726 0.310 0.633
28 HB VAL 4 HB VAL 4 5.727 0.425 0.978
29 HG11 VAL 4 1HG1 VAL 4 6.218 1.906 2.900
30 HG12 VAL 4 2HG1 VAL 4 6.758 0.245 3.151
31 HG13 VAL 4 3HG1 VAL 4 7.927 1.501 2.739
32 HG21 VAL 4 1HG2 VAL 4 6.423 1.942 -0.718
33 HG22 VAL 4 2HG2 VAL 4 6.152 2.892 0.743
34 HG23 VAL 4 3HG2 VAL 4 7.795 2.489 0.245
35 H TYR 5 H TYR 5 6.417 -2.296 0.360
36 HA TYR 5 HA TYR 5 6.688 -3.300 2.999
37 HB2 TYR 5 2HB TYR 5 5.405 -4.136 0.505
38 HB3 TYR 5 3HB TYR 5 6.008 -5.485 1.461
39 HD1 TYR 5 HD1 TYR 5 4.576 -2.246 2.612
40 HD2 TYR 5 HD2 TYR 5 4.095 -6.466 2.363
41 HE1 TYR 5 HE1 TYR 5 2.592 -2.099 4.060
42 HE2 TYR 5 HE2 TYR 5 2.109 -6.331 3.808
43 HH TYR 5 HH TYR 5 1.044 -3.238 5.182
44 H SER 6 H SER 6 8.774 -3.308 0.337
45 HA SER 6 HA SER 6 10.094 -5.790 0.768
46 HB2 SER 6 2HB SER 6 10.261 -4.644 -1.378
47 HB3 SER 6 3HB SER 6 11.052 -3.268 -0.609
48 HG SER 6 HG SER 6 12.163 -5.828 -0.324
49 H ARG 7 H ARG 7 10.170 -2.777 2.376
50 HA ARG 7 HA ARG 7 12.778 -2.649 3.335
51 HB2 ARG 7 2HB ARG 7 11.969 -1.173 5.003
52 HB3 ARG 7 3HB ARG 7 10.936 -0.927 3.601
53 HG2 ARG 7 2HG ARG 7 9.269 -2.453 4.650
54 HG3 ARG 7 3HG ARG 7 10.284 -2.479 6.094
55 HD2 ARG 7 2HD ARG 7 10.117 0.123 5.892
56 HD3 ARG 7 3HD ARG 7 8.683 -0.243 4.933
57 HE ARG 7 HE ARG 7 8.687 -1.642 7.415
58 HH11 ARG 7 1HH1 ARG 7 8.053 1.451 5.949
59 HH12 ARG 7 2HH1 ARG 7 6.920 1.941 7.164
60 HH21 ARG 7 1HH2 ARG 7 7.197 -1.008 9.022
61 HH22 ARG 7 2HH2 ARG 7 6.435 0.542 8.912
62 H VAL 8 H VAL 8 10.116 -4.687 4.292
63 HA VAL 8 HA VAL 8 11.187 -5.532 6.786
64 HB VAL 8 HB VAL 8 9.165 -6.853 4.974
65 HG11 VAL 8 1HG1 VAL 8 8.547 -8.169 6.981
66 HG12 VAL 8 2HG1 VAL 8 10.163 -8.539 6.376
67 HG13 VAL 8 3HG1 VAL 8 9.965 -7.521 7.803
68 HG21 VAL 8 1HG2 VAL 8 8.200 -4.868 5.707
69 HG22 VAL 8 2HG2 VAL 8 7.643 -6.044 6.897
70 HG23 VAL 8 3HG2 VAL 8 8.976 -4.959 7.288
71 H LYS 9 H LYS 9 10.697 -7.564 3.905
72 HA LYS 9 HA LYS 9 12.455 -9.578 4.615
73 HB2 LYS 9 2HB LYS 9 11.848 -8.653 1.801
74 HB3 LYS 9 3HB LYS 9 12.437 -10.242 2.271
75 HG2 LYS 9 2HG LYS 9 9.766 -9.056 2.999
76 HG3 LYS 9 3HG LYS 9 10.062 -10.302 1.784
77 HD2 LYS 9 2HD LYS 9 11.147 -11.603 3.751
78 HD3 LYS 9 3HD LYS 9 10.236 -10.484 4.769
79 HE2 LYS 9 2HE LYS 9 8.197 -11.157 3.398
80 HE3 LYS 9 3HE LYS 9 9.188 -12.475 2.775
81 HZ1 LYS 9 1HZ LYS 9 9.184 -13.544 4.762
82 HZ2 LYS 9 2HZ LYS 9 7.692 -12.760 4.901
83 HZ3 LYS 9 3HZ LYS 9 9.056 -12.125 5.675
Start of MODEL 15
1 H1 THR 1 H THR 1 2.448 0.064 1.728
2 HA THR 1 HA THR 1 1.494 -0.462 -0.847
3 HB THR 1 HB THR 1 4.369 0.039 -0.779
4 HG1 THR 1 HG1 THR 1 4.172 2.066 0.279
5 HG21 THR 1 1HG2 THR 1 2.187 1.913 -1.652
6 HG22 THR 1 2HG2 THR 1 2.639 0.506 -2.615
7 HG23 THR 1 3HG2 THR 1 3.828 1.763 -2.277
8 H VAL 2 H VAL 2 3.312 -1.324 -2.527
9 HA VAL 2 HA VAL 2 3.613 -4.141 -1.830
10 HB VAL 2 HB VAL 2 4.356 -3.092 -4.520
11 HG11 VAL 2 1HG1 VAL 2 4.524 -5.507 -3.801
12 HG12 VAL 2 2HG1 VAL 2 2.760 -5.526 -3.756
13 HG13 VAL 2 3HG1 VAL 2 3.601 -5.206 -5.273
14 HG21 VAL 2 1HG2 VAL 2 1.904 -3.337 -5.151
15 HG22 VAL 2 2HG2 VAL 2 1.559 -3.228 -3.425
16 HG23 VAL 2 3HG2 VAL 2 2.350 -1.887 -4.253
17 H TYR 3 H TYR 3 5.624 -1.787 -3.606
18 HA TYR 3 HA TYR 3 8.023 -3.208 -3.284
19 HB2 TYR 3 2HB TYR 3 7.871 -1.557 -5.012
20 HB3 TYR 3 3HB TYR 3 7.489 -0.290 -3.853
21 HD1 TYR 3 HD1 TYR 3 9.190 1.074 -3.049
22 HD2 TYR 3 HD2 TYR 3 10.194 -2.699 -4.741
23 HE1 TYR 3 HE1 TYR 3 11.578 1.638 -2.875
24 HE2 TYR 3 HE2 TYR 3 12.585 -2.146 -4.570
25 HH TYR 3 HH TYR 3 13.955 -0.400 -2.891
26 H VAL 4 H VAL 4 6.418 -0.841 -1.269
27 HA VAL 4 HA VAL 4 8.619 -0.294 0.444
28 HB VAL 4 HB VAL 4 5.651 0.009 0.913
29 HG11 VAL 4 1HG1 VAL 4 6.767 -0.161 3.045
30 HG12 VAL 4 2HG1 VAL 4 7.985 1.012 2.539
31 HG13 VAL 4 3HG1 VAL 4 6.310 1.518 2.760
32 HG21 VAL 4 1HG2 VAL 4 6.142 2.412 0.532
33 HG22 VAL 4 2HG2 VAL 4 7.790 1.970 0.086
34 HG23 VAL 4 3HG2 VAL 4 6.432 1.405 -0.887
35 H TYR 5 H TYR 5 6.144 -2.759 0.372
36 HA TYR 5 HA TYR 5 6.500 -3.693 3.030
37 HB2 TYR 5 2HB TYR 5 4.978 -4.471 0.673
38 HB3 TYR 5 3HB TYR 5 5.594 -5.866 1.552
39 HD1 TYR 5 HD1 TYR 5 3.723 -6.763 2.614
40 HD2 TYR 5 HD2 TYR 5 4.445 -2.578 2.871
41 HE1 TYR 5 HE1 TYR 5 1.889 -6.552 4.240
42 HE2 TYR 5 HE2 TYR 5 2.615 -2.356 4.498
43 HH TYR 5 HH TYR 5 0.878 -5.188 5.709
44 H SER 6 H SER 6 8.415 -3.930 0.252
45 HA SER 6 HA SER 6 9.564 -6.475 0.543
46 HB2 SER 6 2HB SER 6 9.800 -4.904 -1.436
47 HB3 SER 6 3HB SER 6 11.001 -4.026 -0.491
48 HG SER 6 HG SER 6 12.391 -5.605 -0.766
49 H ARG 7 H ARG 7 9.876 -3.644 2.427
50 HA ARG 7 HA ARG 7 12.473 -4.290 3.511
51 HB2 ARG 7 2HB ARG 7 12.259 -2.325 4.816
52 HB3 ARG 7 3HB ARG 7 11.545 -1.944 3.255
53 HG2 ARG 7 2HG ARG 7 9.323 -2.667 4.431
54 HG3 ARG 7 3HG ARG 7 10.233 -2.314 5.901
55 HD2 ARG 7 2HD ARG 7 10.400 -0.286 3.768
56 HD3 ARG 7 3HD ARG 7 8.816 -0.477 4.520
57 HE ARG 7 HE ARG 7 10.887 -0.277 6.464
58 HH11 ARG 7 1HH1 ARG 7 8.921 1.589 4.279
59 HH12 ARG 7 2HH1 ARG 7 9.026 3.042 5.218
60 HH21 ARG 7 1HH2 ARG 7 11.033 1.629 7.709
61 HH22 ARG 7 2HH2 ARG 7 10.228 3.063 7.168
62 H VAL 8 H VAL 8 9.125 -4.821 4.327
63 HA VAL 8 HA VAL 8 9.522 -5.539 7.048
64 HB VAL 8 HB VAL 8 7.284 -6.241 5.144
65 HG11 VAL 8 1HG1 VAL 8 7.348 -7.880 6.912
66 HG12 VAL 8 2HG1 VAL 8 7.478 -6.611 8.131
67 HG13 VAL 8 3HG1 VAL 8 5.997 -6.781 7.188
68 HG21 VAL 8 1HG2 VAL 8 7.193 -3.939 5.426
69 HG22 VAL 8 2HG2 VAL 8 6.110 -4.526 6.689
70 HG23 VAL 8 3HG2 VAL 8 7.749 -4.020 7.098
71 H LYS 9 H LYS 9 8.444 -7.705 4.436
72 HA LYS 9 HA LYS 9 8.824 -9.915 4.045
73 HB2 LYS 9 2HB LYS 9 11.511 -8.972 5.006
74 HB3 LYS 9 3HB LYS 9 11.249 -10.655 4.570
75 HG2 LYS 9 2HG LYS 9 10.725 -8.329 2.734
76 HG3 LYS 9 3HG LYS 9 12.216 -9.275 2.753
77 HD2 LYS 9 2HD LYS 9 9.779 -10.889 2.576
78 HD3 LYS 9 3HD LYS 9 10.025 -9.807 1.203
79 HE2 LYS 9 2HE LYS 9 12.061 -11.763 2.267
80 HE3 LYS 9 3HE LYS 9 11.035 -12.031 0.859
81 HZ1 LYS 9 1HZ LYS 9 12.054 -9.946 -0.071
82 HZ2 LYS 9 2HZ LYS 9 13.092 -11.276 0.047
83 HZ3 LYS 9 3HZ LYS 9 13.189 -10.025 1.181
Start of MODEL 16
1 H1 THR 1 H THR 1 2.739 -0.630 1.679
2 HA THR 1 HA THR 1 1.412 -1.190 -0.871
3 HB THR 1 HB THR 1 4.152 -0.159 -0.999
4 HG1 THR 1 HG1 THR 1 3.733 1.807 -0.071
5 HG21 THR 1 1HG2 THR 1 2.644 1.644 -2.275
6 HG22 THR 1 2HG2 THR 1 1.508 0.295 -2.262
7 HG23 THR 1 3HG2 THR 1 3.098 0.103 -3.000
8 H VAL 2 H VAL 2 3.401 -1.814 -2.543
9 HA VAL 2 HA VAL 2 4.151 -4.490 -1.659
10 HB VAL 2 HB VAL 2 4.785 -3.496 -4.398
11 HG11 VAL 2 1HG1 VAL 2 4.461 -5.736 -5.027
12 HG12 VAL 2 2HG1 VAL 2 5.293 -5.817 -3.473
13 HG13 VAL 2 3HG1 VAL 2 3.554 -6.105 -3.561
14 HG21 VAL 2 1HG2 VAL 2 2.424 -4.175 -5.054
15 HG22 VAL 2 2HG2 VAL 2 2.019 -4.022 -3.344
16 HG23 VAL 2 3HG2 VAL 2 2.604 -2.620 -4.240
17 H TYR 3 H TYR 3 5.800 -1.948 -3.547
18 HA TYR 3 HA TYR 3 8.387 -2.925 -3.138
19 HB2 TYR 3 2HB TYR 3 7.637 -1.209 -4.848
20 HB3 TYR 3 3HB TYR 3 7.687 -0.018 -3.554
21 HD1 TYR 3 HD1 TYR 3 9.981 -2.794 -4.567
22 HD2 TYR 3 HD2 TYR 3 9.510 1.367 -3.816
23 HE1 TYR 3 HE1 TYR 3 12.381 -2.454 -4.982
24 HE2 TYR 3 HE2 TYR 3 11.909 1.719 -4.230
25 HH TYR 3 HH TYR 3 14.143 -0.662 -4.229
26 H VAL 4 H VAL 4 6.387 -0.805 -1.199
27 HA VAL 4 HA VAL 4 8.446 0.114 0.533
28 HB VAL 4 HB VAL 4 5.457 -0.028 0.943
29 HG11 VAL 4 1HG1 VAL 4 5.842 1.603 2.765
30 HG12 VAL 4 2HG1 VAL 4 6.537 0.016 3.099
31 HG13 VAL 4 3HG1 VAL 4 7.577 1.346 2.589
32 HG21 VAL 4 1HG2 VAL 4 7.314 1.952 -0.253
33 HG22 VAL 4 2HG2 VAL 4 5.657 1.540 -0.698
34 HG23 VAL 4 3HG2 VAL 4 5.965 2.570 0.701
35 H TYR 5 H TYR 5 6.348 -2.687 0.502
36 HA TYR 5 HA TYR 5 6.869 -3.492 3.187
37 HB2 TYR 5 2HB TYR 5 5.388 -4.523 0.886
38 HB3 TYR 5 3HB TYR 5 6.147 -5.792 1.840
39 HD1 TYR 5 HD1 TYR 5 4.385 -6.802 2.985
40 HD2 TYR 5 HD2 TYR 5 4.682 -2.558 2.966
41 HE1 TYR 5 HE1 TYR 5 2.552 -6.672 4.619
42 HE2 TYR 5 HE2 TYR 5 2.850 -2.416 4.601
43 HH TYR 5 HH TYR 5 0.823 -3.991 5.233
44 H SER 6 H SER 6 8.695 -3.587 0.342
45 HA SER 6 HA SER 6 10.141 -5.987 0.712
46 HB2 SER 6 2HB SER 6 10.070 -3.965 -1.203
47 HB3 SER 6 3HB SER 6 11.701 -3.870 -0.537
48 HG SER 6 HG SER 6 11.135 -5.436 -2.366
49 H ARG 7 H ARG 7 10.224 -2.984 2.337
50 HA ARG 7 HA ARG 7 12.934 -2.997 3.182
51 HB2 ARG 7 2HB ARG 7 12.336 -1.232 4.644
52 HB3 ARG 7 3HB ARG 7 11.339 -1.025 3.210
53 HG2 ARG 7 2HG ARG 7 9.514 -2.247 4.456
54 HG3 ARG 7 3HG ARG 7 10.518 -2.081 5.898
55 HD2 ARG 7 2HD ARG 7 10.556 0.394 5.457
56 HD3 ARG 7 3HD ARG 7 9.344 0.117 4.207
57 HE ARG 7 HE ARG 7 8.268 -1.047 6.408
58 HH11 ARG 7 1HH1 ARG 7 9.558 2.116 5.733
59 HH12 ARG 7 2HH1 ARG 7 8.522 2.922 6.863
60 HH21 ARG 7 1HH2 ARG 7 6.899 0.004 7.899
61 HH22 ARG 7 2HH2 ARG 7 7.011 1.720 8.096
62 H VAL 8 H VAL 8 10.025 -4.528 4.344
63 HA VAL 8 HA VAL 8 10.968 -5.190 6.940
64 HB VAL 8 HB VAL 8 8.810 -6.471 5.259
65 HG11 VAL 8 1HG1 VAL 8 9.584 -8.068 6.893
66 HG12 VAL 8 2HG1 VAL 8 9.486 -6.857 8.173
67 HG13 VAL 8 3HG1 VAL 8 8.015 -7.438 7.392
68 HG21 VAL 8 1HG2 VAL 8 7.413 -5.238 7.081
69 HG22 VAL 8 2HG2 VAL 8 8.864 -4.251 7.260
70 HG23 VAL 8 3HG2 VAL 8 8.044 -4.337 5.702
71 H LYS 9 H LYS 9 10.246 -7.488 4.319
72 HA LYS 9 HA LYS 9 12.254 -9.306 5.363
73 HB2 LYS 9 2HB LYS 9 11.369 -10.900 3.742
74 HB3 LYS 9 3HB LYS 9 10.064 -10.180 4.675
75 HG2 LYS 9 2HG LYS 9 9.956 -8.513 2.657
76 HG3 LYS 9 3HG LYS 9 10.760 -9.831 1.803
77 HD2 LYS 9 2HD LYS 9 8.610 -10.900 3.349
78 HD3 LYS 9 3HD LYS 9 8.009 -9.545 2.390
79 HE2 LYS 9 2HE LYS 9 9.474 -10.774 0.522
80 HE3 LYS 9 3HE LYS 9 9.079 -12.169 1.526
81 HZ1 LYS 9 1HZ LYS 9 6.736 -11.617 1.301
82 HZ2 LYS 9 2HZ LYS 9 7.443 -11.850 -0.217
83 HZ3 LYS 9 3HZ LYS 9 7.118 -10.284 0.333
Start of MODEL 17
1 H1 THR 1 H THR 1 0.351 -0.607 -0.053
2 HA THR 1 HA THR 1 1.973 -0.644 -1.859
3 HB THR 1 HB THR 1 2.538 1.154 -0.475
4 HG1 THR 1 HG1 THR 1 4.353 0.449 -1.687
5 HG21 THR 1 1HG2 THR 1 3.641 0.916 1.711
6 HG22 THR 1 2HG2 THR 1 3.565 -0.838 1.550
7 HG23 THR 1 3HG2 THR 1 2.078 0.101 1.676
8 H VAL 2 H VAL 2 3.735 -1.616 -2.823
9 HA VAL 2 HA VAL 2 4.493 -4.202 -1.693
10 HB VAL 2 HB VAL 2 5.441 -3.314 -4.376
11 HG11 VAL 2 1HG1 VAL 2 4.688 -5.877 -3.034
12 HG12 VAL 2 2HG1 VAL 2 4.715 -5.771 -4.795
13 HG13 VAL 2 3HG1 VAL 2 6.180 -5.446 -3.868
14 HG21 VAL 2 1HG2 VAL 2 2.594 -3.981 -3.681
15 HG22 VAL 2 2HG2 VAL 2 3.207 -2.587 -4.570
16 HG23 VAL 2 3HG2 VAL 2 3.244 -4.188 -5.307
17 H TYR 3 H TYR 3 6.217 -1.640 -3.485
18 HA TYR 3 HA TYR 3 8.790 -2.365 -2.818
19 HB2 TYR 3 2HB TYR 3 7.494 -0.055 -3.942
20 HB3 TYR 3 3HB TYR 3 8.768 0.457 -2.841
21 HD1 TYR 3 HD1 TYR 3 8.016 -0.760 -6.107
22 HD2 TYR 3 HD2 TYR 3 11.098 -0.570 -3.179
23 HE1 TYR 3 HE1 TYR 3 9.692 -1.208 -7.850
24 HE2 TYR 3 HE2 TYR 3 12.783 -1.016 -4.915
25 HH TYR 3 HH TYR 3 13.148 -1.455 -7.057
26 H VAL 4 H VAL 4 6.821 0.105 -1.158
27 HA VAL 4 HA VAL 4 8.599 0.620 0.929
28 HB VAL 4 HB VAL 4 5.592 0.726 1.160
29 HG11 VAL 4 1HG1 VAL 4 6.335 2.791 2.569
30 HG12 VAL 4 2HG1 VAL 4 6.411 1.173 3.270
31 HG13 VAL 4 3HG1 VAL 4 7.876 1.938 2.655
32 HG21 VAL 4 1HG2 VAL 4 7.342 2.166 -0.611
33 HG22 VAL 4 2HG2 VAL 4 5.584 2.225 -0.484
34 HG23 VAL 4 3HG2 VAL 4 6.577 3.270 0.532
35 H TYR 5 H TYR 5 6.513 -2.069 0.385
36 HA TYR 5 HA TYR 5 6.617 -2.950 3.155
37 HB2 TYR 5 2HB TYR 5 4.532 -3.284 1.944
38 HB3 TYR 5 3HB TYR 5 5.370 -4.209 0.703
39 HD1 TYR 5 HD1 TYR 5 4.866 -4.242 4.409
40 HD2 TYR 5 HD2 TYR 5 5.276 -6.510 0.832
41 HE1 TYR 5 HE1 TYR 5 4.454 -6.308 5.678
42 HE2 TYR 5 HE2 TYR 5 4.863 -8.582 2.092
43 HH TYR 5 HH TYR 5 3.981 -8.513 5.504
44 H SER 6 H SER 6 8.456 -3.259 0.333
45 HA SER 6 HA SER 6 9.438 -5.895 0.628
46 HB2 SER 6 2HB SER 6 10.828 -3.526 -0.645
47 HB3 SER 6 3HB SER 6 11.187 -5.229 -0.926
48 HG SER 6 HG SER 6 8.567 -4.389 -1.353
49 H ARG 7 H ARG 7 10.034 -3.008 2.353
50 HA ARG 7 HA ARG 7 12.672 -3.684 3.267
51 HB2 ARG 7 2HB ARG 7 12.558 -1.723 4.591
52 HB3 ARG 7 3HB ARG 7 11.722 -1.340 3.092
53 HG2 ARG 7 2HG ARG 7 9.601 -2.070 4.435
54 HG3 ARG 7 3HG ARG 7 10.623 -1.724 5.832
55 HD2 ARG 7 2HD ARG 7 11.046 0.531 4.923
56 HD3 ARG 7 3HD ARG 7 9.955 0.174 3.584
57 HE ARG 7 HE ARG 7 8.174 0.528 4.982
58 HH11 ARG 7 1HH1 ARG 7 11.074 0.187 6.878
59 HH12 ARG 7 2HH1 ARG 7 10.315 0.656 8.363
60 HH21 ARG 7 1HH2 ARG 7 7.163 1.147 6.931
61 HH22 ARG 7 2HH2 ARG 7 8.090 1.201 8.392
62 H VAL 8 H VAL 8 9.401 -4.227 4.346
63 HA VAL 8 HA VAL 8 9.817 -4.829 7.030
64 HB VAL 8 HB VAL 8 7.863 -6.260 5.229
65 HG11 VAL 8 1HG1 VAL 8 7.698 -7.332 7.251
66 HG12 VAL 8 2HG1 VAL 8 8.153 -5.898 8.173
67 HG13 VAL 8 3HG1 VAL 8 6.536 -6.026 7.481
68 HG21 VAL 8 1HG2 VAL 8 7.421 -4.019 4.769
69 HG22 VAL 8 2HG2 VAL 8 6.302 -4.396 6.078
70 HG23 VAL 8 3HG2 VAL 8 7.787 -3.508 6.417
71 H LYS 9 H LYS 9 10.424 -6.735 4.160
72 HA LYS 9 HA LYS 9 10.972 -9.144 5.676
73 HB2 LYS 9 2HB LYS 9 10.835 -8.416 2.792
74 HB3 LYS 9 3HB LYS 9 11.830 -9.796 3.237
75 HG2 LYS 9 2HG LYS 9 10.058 -11.096 3.631
76 HG3 LYS 9 3HG LYS 9 9.181 -9.812 4.467
77 HD2 LYS 9 2HD LYS 9 8.100 -9.151 2.593
78 HD3 LYS 9 3HD LYS 9 9.488 -9.475 1.552
79 HE2 LYS 9 2HE LYS 9 8.542 -11.373 0.898
80 HE3 LYS 9 3HE LYS 9 8.578 -11.959 2.560
81 HZ1 LYS 9 1HZ LYS 9 6.368 -11.988 2.349
82 HZ2 LYS 9 2HZ LYS 9 6.363 -10.950 1.014
83 HZ3 LYS 9 3HZ LYS 9 6.450 -10.314 2.580
Start of MODEL 18
1 H1 THR 1 H THR 1 2.699 -0.245 -3.668
2 HA THR 1 HA THR 1 4.017 0.436 -1.200
3 HB THR 1 HB THR 1 2.298 -1.777 -0.787
4 HG1 THR 1 HG1 THR 1 0.369 -0.622 -1.756
5 HG21 THR 1 1HG2 THR 1 2.638 0.085 0.759
6 HG22 THR 1 2HG2 THR 1 0.925 -0.116 0.389
7 HG23 THR 1 3HG2 THR 1 1.846 1.181 -0.372
8 H VAL 2 H VAL 2 4.178 -2.122 -3.526
9 HA VAL 2 HA VAL 2 5.103 -4.274 -2.096
10 HB VAL 2 HB VAL 2 6.526 -4.793 -4.145
11 HG11 VAL 2 1HG1 VAL 2 4.211 -4.652 -5.580
12 HG12 VAL 2 2HG1 VAL 2 4.603 -5.918 -4.414
13 HG13 VAL 2 3HG1 VAL 2 3.617 -4.540 -3.923
14 HG21 VAL 2 1HG2 VAL 2 6.992 -2.604 -4.958
15 HG22 VAL 2 2HG2 VAL 2 5.954 -3.389 -6.147
16 HG23 VAL 2 3HG2 VAL 2 5.277 -2.200 -5.035
17 H TYR 3 H TYR 3 7.019 -1.548 -3.334
18 HA TYR 3 HA TYR 3 9.503 -2.473 -2.359
19 HB2 TYR 3 2HB TYR 3 8.768 0.420 -2.797
20 HB3 TYR 3 3HB TYR 3 10.360 -0.321 -2.918
21 HD1 TYR 3 HD1 TYR 3 10.858 -1.849 -4.833
22 HD2 TYR 3 HD2 TYR 3 7.283 0.450 -4.647
23 HE1 TYR 3 HE1 TYR 3 10.522 -2.187 -7.246
24 HE2 TYR 3 HE2 TYR 3 6.936 0.118 -7.059
25 HH TYR 3 HH TYR 3 7.615 -1.527 -8.808
26 H VAL 4 H VAL 4 6.920 -0.599 -0.927
27 HA VAL 4 HA VAL 4 8.387 0.316 1.335
28 HB VAL 4 HB VAL 4 5.412 0.012 0.913
29 HG11 VAL 4 1HG1 VAL 4 6.927 1.367 3.140
30 HG12 VAL 4 2HG1 VAL 4 5.195 1.541 2.850
31 HG13 VAL 4 3HG1 VAL 4 5.865 -0.033 3.280
32 HG21 VAL 4 1HG2 VAL 4 5.379 2.292 0.350
33 HG22 VAL 4 2HG2 VAL 4 7.013 2.555 0.958
34 HG23 VAL 4 3HG2 VAL 4 6.762 1.632 -0.524
35 H TYR 5 H TYR 5 6.729 -2.628 0.546
36 HA TYR 5 HA TYR 5 6.720 -3.547 3.308
37 HB2 TYR 5 2HB TYR 5 5.093 -4.071 1.128
38 HB3 TYR 5 3HB TYR 5 6.057 -5.536 1.277
39 HD1 TYR 5 HD1 TYR 5 3.393 -3.542 2.710
40 HD2 TYR 5 HD2 TYR 5 5.990 -6.843 3.393
41 HE1 TYR 5 HE1 TYR 5 1.931 -4.308 4.534
42 HE2 TYR 5 HE2 TYR 5 4.534 -7.619 5.217
43 HH TYR 5 HH TYR 5 1.674 -5.766 6.199
44 H SER 6 H SER 6 8.790 -3.582 0.634
45 HA SER 6 HA SER 6 10.040 -6.082 0.886
46 HB2 SER 6 2HB SER 6 10.622 -3.523 -0.435
47 HB3 SER 6 3HB SER 6 12.061 -4.432 0.026
48 HG SER 6 HG SER 6 11.675 -5.564 -1.693
49 H ARG 7 H ARG 7 10.116 -3.323 2.897
50 HA ARG 7 HA ARG 7 12.686 -3.826 4.080
51 HB2 ARG 7 2HB ARG 7 12.213 -2.011 5.527
52 HB3 ARG 7 3HB ARG 7 11.525 -1.575 3.969
53 HG2 ARG 7 2HG ARG 7 9.341 -2.587 4.947
54 HG3 ARG 7 3HG ARG 7 10.144 -2.341 6.499
55 HD2 ARG 7 2HD ARG 7 10.132 -0.091 4.558
56 HD3 ARG 7 3HD ARG 7 8.624 -0.475 5.387
57 HE ARG 7 HE ARG 7 10.810 -0.282 7.203
58 HH11 ARG 7 1HH1 ARG 7 8.547 1.601 5.345
59 HH12 ARG 7 2HH1 ARG 7 8.607 2.966 6.411
60 HH21 ARG 7 1HH2 ARG 7 10.897 1.507 8.614
61 HH22 ARG 7 2HH2 ARG 7 9.945 2.911 8.270
62 H VAL 8 H VAL 8 9.385 -4.768 4.691
63 HA VAL 8 HA VAL 8 9.543 -5.566 7.352
64 HB VAL 8 HB VAL 8 7.970 -7.004 5.215
65 HG11 VAL 8 1HG1 VAL 8 7.842 -6.852 8.194
66 HG12 VAL 8 2HG1 VAL 8 6.367 -7.131 7.268
67 HG13 VAL 8 3HG1 VAL 8 7.719 -8.256 7.135
68 HG21 VAL 8 1HG2 VAL 8 6.136 -5.390 5.936
69 HG22 VAL 8 2HG2 VAL 8 7.425 -4.412 6.637
70 HG23 VAL 8 3HG2 VAL 8 7.410 -4.740 4.904
71 H LYS 9 H LYS 9 10.680 -7.138 4.442
72 HA LYS 9 HA LYS 9 11.811 -9.287 6.110
73 HB2 LYS 9 2HB LYS 9 11.559 -10.822 4.218
74 HB3 LYS 9 3HB LYS 9 10.004 -10.175 4.722
75 HG2 LYS 9 2HG LYS 9 11.419 -8.731 2.563
76 HG3 LYS 9 3HG LYS 9 10.755 -10.319 2.173
77 HD2 LYS 9 2HD LYS 9 8.645 -9.295 3.444
78 HD3 LYS 9 3HD LYS 9 9.368 -7.791 2.867
79 HE2 LYS 9 2HE LYS 9 7.798 -8.536 1.225
80 HE3 LYS 9 3HE LYS 9 9.420 -8.778 0.578
81 HZ1 LYS 9 1HZ LYS 9 8.090 -10.986 1.990
82 HZ2 LYS 9 2HZ LYS 9 9.255 -11.044 0.765
83 HZ3 LYS 9 3HZ LYS 9 7.653 -10.649 0.390
Start of MODEL 19
1 H1 THR 1 H THR 1 2.076 0.605 -3.249
2 HA THR 1 HA THR 1 3.591 0.735 -0.889
3 HB THR 1 HB THR 1 1.542 -1.258 -0.628
4 HG1 THR 1 HG1 THR 1 0.501 1.145 -1.683
5 HG21 THR 1 1HG2 THR 1 2.245 1.395 0.444
6 HG22 THR 1 2HG2 THR 1 1.730 -0.068 1.284
7 HG23 THR 1 3HG2 THR 1 0.534 0.979 0.521
8 H VAL 2 H VAL 2 3.150 -1.816 -3.241
9 HA VAL 2 HA VAL 2 3.921 -4.065 -1.868
10 HB VAL 2 HB VAL 2 4.993 -4.811 -4.056
11 HG11 VAL 2 1HG1 VAL 2 2.296 -3.863 -4.763
12 HG12 VAL 2 2HG1 VAL 2 2.963 -5.497 -4.757
13 HG13 VAL 2 3HG1 VAL 2 2.418 -4.760 -3.249
14 HG21 VAL 2 1HG2 VAL 2 5.670 -2.724 -4.981
15 HG22 VAL 2 2HG2 VAL 2 4.392 -3.360 -6.016
16 HG23 VAL 2 3HG2 VAL 2 4.035 -2.072 -4.866
17 H TYR 3 H TYR 3 6.046 -1.665 -3.404
18 HA TYR 3 HA TYR 3 8.469 -2.937 -2.698
19 HB2 TYR 3 2HB TYR 3 7.890 -0.937 -4.370
20 HB3 TYR 3 3HB TYR 3 8.398 0.025 -2.987
21 HD1 TYR 3 HD1 TYR 3 9.570 -2.993 -4.866
22 HD2 TYR 3 HD2 TYR 3 10.612 0.649 -2.930
23 HE1 TYR 3 HE1 TYR 3 11.921 -3.336 -5.500
24 HE2 TYR 3 HE2 TYR 3 12.966 0.317 -3.559
25 HH TYR 3 HH TYR 3 14.470 -1.440 -4.198
26 H VAL 4 H VAL 4 6.375 -0.684 -1.037
27 HA VAL 4 HA VAL 4 8.214 0.063 0.999
28 HB VAL 4 HB VAL 4 5.194 0.133 0.964
29 HG11 VAL 4 1HG1 VAL 4 5.948 0.080 3.254
30 HG12 VAL 4 2HG1 VAL 4 7.140 1.340 2.928
31 HG13 VAL 4 3HG1 VAL 4 5.418 1.714 2.855
32 HG21 VAL 4 1HG2 VAL 4 7.329 2.143 0.313
33 HG22 VAL 4 2HG2 VAL 4 5.982 1.605 -0.690
34 HG23 VAL 4 3HG2 VAL 4 5.682 2.625 0.717
35 H TYR 5 H TYR 5 6.066 -2.635 0.544
36 HA TYR 5 HA TYR 5 6.248 -3.496 3.304
37 HB2 TYR 5 2HB TYR 5 4.742 -4.321 0.899
38 HB3 TYR 5 3HB TYR 5 5.162 -5.618 2.011
39 HD1 TYR 5 HD1 TYR 5 3.541 -6.151 3.551
40 HD2 TYR 5 HD2 TYR 5 3.865 -2.113 2.250
41 HE1 TYR 5 HE1 TYR 5 1.638 -5.542 4.986
42 HE2 TYR 5 HE2 TYR 5 1.964 -1.493 3.682
43 HH TYR 5 HH TYR 5 0.319 -2.255 4.990
44 H SER 6 H SER 6 8.094 -3.808 0.487
45 HA SER 6 HA SER 6 9.190 -6.410 1.056
46 HB2 SER 6 2HB SER 6 9.998 -4.246 -0.896
47 HB3 SER 6 3HB SER 6 10.808 -5.808 -0.777
48 HG SER 6 HG SER 6 9.316 -6.457 -2.099
49 H ARG 7 H ARG 7 9.778 -3.208 2.086
50 HA ARG 7 HA ARG 7 12.501 -3.154 2.567
51 HB2 ARG 7 2HB ARG 7 12.085 -1.428 4.136
52 HB3 ARG 7 3HB ARG 7 10.818 -1.292 2.924
53 HG2 ARG 7 2HG ARG 7 9.328 -2.586 4.467
54 HG3 ARG 7 3HG ARG 7 10.589 -2.439 5.693
55 HD2 ARG 7 2HD ARG 7 10.429 -0.040 5.643
56 HD3 ARG 7 3HD ARG 7 9.304 -0.104 4.288
57 HE ARG 7 HE ARG 7 8.221 -1.565 6.417
58 HH11 ARG 7 1HH1 ARG 7 8.995 1.720 5.564
59 HH12 ARG 7 2HH1 ARG 7 7.751 2.409 6.553
60 HH21 ARG 7 1HH2 ARG 7 6.579 -0.671 7.723
61 HH22 ARG 7 2HH2 ARG 7 6.377 1.048 7.782
62 H VAL 8 H VAL 8 9.982 -4.871 4.258
63 HA VAL 8 HA VAL 8 11.241 -5.419 6.678
64 HB VAL 8 HB VAL 8 9.478 -7.356 5.179
65 HG11 VAL 8 1HG1 VAL 8 8.787 -7.615 7.748
66 HG12 VAL 8 2HG1 VAL 8 10.083 -8.556 7.006
67 HG13 VAL 8 3HG1 VAL 8 10.467 -7.121 7.957
68 HG21 VAL 8 1HG2 VAL 8 8.890 -4.721 6.229
69 HG22 VAL 8 2HG2 VAL 8 7.898 -5.783 5.230
70 HG23 VAL 8 3HG2 VAL 8 7.897 -5.968 6.984
71 H LYS 9 H LYS 9 11.688 -6.846 3.514
72 HA LYS 9 HA LYS 9 14.014 -8.294 4.545
73 HB2 LYS 9 2HB LYS 9 13.429 -10.304 3.278
74 HB3 LYS 9 3HB LYS 9 12.194 -9.932 4.473
75 HG2 LYS 9 2HG LYS 9 11.723 -8.776 1.819
76 HG3 LYS 9 3HG LYS 9 11.700 -10.540 1.883
77 HD2 LYS 9 2HD LYS 9 10.202 -10.054 4.025
78 HD3 LYS 9 3HD LYS 9 9.874 -8.563 3.139
79 HE2 LYS 9 2HE LYS 9 8.216 -9.897 2.303
80 HE3 LYS 9 3HE LYS 9 9.496 -10.231 1.138
81 HZ1 LYS 9 1HZ LYS 9 8.147 -12.127 2.417
82 HZ2 LYS 9 2HZ LYS 9 9.442 -11.936 3.488
83 HZ3 LYS 9 3HZ LYS 9 9.735 -12.331 1.870
Start of MODEL 20
1 H1 THR 1 H THR 1 3.093 1.593 -0.012
2 HA THR 1 HA THR 1 2.067 0.203 -2.307
3 HB THR 1 HB THR 1 4.894 0.724 -2.500
4 HG1 THR 1 HG1 THR 1 3.321 2.992 -1.802
5 HG21 THR 1 1HG2 THR 1 2.701 0.807 -4.125
6 HG22 THR 1 2HG2 THR 1 4.282 1.474 -4.532
7 HG23 THR 1 3HG2 THR 1 3.026 2.521 -3.872
8 H VAL 2 H VAL 2 2.874 -1.680 -3.252
9 HA VAL 2 HA VAL 2 3.428 -3.829 -1.637
10 HB VAL 2 HB VAL 2 4.432 -4.902 -3.719
11 HG11 VAL 2 1HG1 VAL 2 1.753 -3.654 -4.241
12 HG12 VAL 2 2HG1 VAL 2 2.322 -5.271 -4.660
13 HG13 VAL 2 3HG1 VAL 2 1.981 -4.863 -2.978
14 HG21 VAL 2 1HG2 VAL 2 5.303 -2.998 -4.853
15 HG22 VAL 2 2HG2 VAL 2 3.974 -3.622 -5.830
16 HG23 VAL 2 3HG2 VAL 2 3.735 -2.190 -4.829
17 H TYR 3 H TYR 3 5.772 -1.815 -3.393
18 HA TYR 3 HA TYR 3 8.074 -3.211 -2.585
19 HB2 TYR 3 2HB TYR 3 7.864 -1.471 -4.437
20 HB3 TYR 3 3HB TYR 3 7.975 -0.253 -3.170
21 HD1 TYR 3 HD1 TYR 3 9.790 -3.062 -4.768
22 HD2 TYR 3 HD2 TYR 3 10.064 0.365 -2.261
23 HE1 TYR 3 HE1 TYR 3 12.244 -3.193 -4.868
24 HE2 TYR 3 HE2 TYR 3 12.519 0.244 -2.354
25 HH TYR 3 HH TYR 3 14.274 -1.163 -2.875
26 H VAL 4 H VAL 4 6.192 -0.689 -1.051
27 HA VAL 4 HA VAL 4 8.088 -0.015 0.955
28 HB VAL 4 HB VAL 4 5.088 0.329 0.902
29 HG11 VAL 4 1HG1 VAL 4 7.138 1.445 2.811
30 HG12 VAL 4 2HG1 VAL 4 5.460 1.981 2.710
31 HG13 VAL 4 3HG1 VAL 4 5.831 0.326 3.195
32 HG21 VAL 4 1HG2 VAL 4 7.294 2.329 0.419
33 HG22 VAL 4 2HG2 VAL 4 6.355 1.538 -0.847
34 HG23 VAL 4 3HG2 VAL 4 5.559 2.619 0.296
35 H TYR 5 H TYR 5 5.643 -2.487 0.655
36 HA TYR 5 HA TYR 5 5.737 -3.225 3.442
37 HB2 TYR 5 2HB TYR 5 3.807 -3.519 1.637
38 HB3 TYR 5 3HB TYR 5 4.614 -5.061 1.378
39 HD1 TYR 5 HD1 TYR 5 4.389 -6.839 2.936
40 HD2 TYR 5 HD2 TYR 5 2.887 -2.976 3.896
41 HE1 TYR 5 HE1 TYR 5 3.211 -7.786 4.876
42 HE2 TYR 5 HE2 TYR 5 1.706 -3.912 5.839
43 HH TYR 5 HH TYR 5 2.100 -6.072 7.368
44 H SER 6 H SER 6 7.616 -3.843 0.699
45 HA SER 6 HA SER 6 8.489 -6.485 1.442
46 HB2 SER 6 2HB SER 6 8.609 -6.113 -0.868
47 HB3 SER 6 3HB SER 6 9.309 -4.506 -0.669
48 HG SER 6 HG SER 6 11.164 -5.448 -0.876
49 H ARG 7 H ARG 7 9.306 -3.282 2.303
50 HA ARG 7 HA ARG 7 12.012 -3.402 2.851
51 HB2 ARG 7 2HB ARG 7 11.692 -1.574 4.322
52 HB3 ARG 7 3HB ARG 7 10.462 -1.409 3.077
53 HG2 ARG 7 2HG ARG 7 8.890 -2.585 4.688
54 HG3 ARG 7 3HG ARG 7 10.126 -2.311 5.917
55 HD2 ARG 7 2HD ARG 7 9.543 0.079 4.372
56 HD3 ARG 7 3HD ARG 7 8.116 -0.559 5.187
57 HE ARG 7 HE ARG 7 10.173 -0.535 7.048
58 HH11 ARG 7 1HH1 ARG 7 8.374 1.758 5.145
59 HH12 ARG 7 2HH1 ARG 7 8.535 3.041 6.299
60 HH21 ARG 7 1HH2 ARG 7 10.393 1.145 8.575
61 HH22 ARG 7 2HH2 ARG 7 9.685 2.691 8.249
62 H VAL 8 H VAL 8 9.342 -4.846 4.567
63 HA VAL 8 HA VAL 8 10.511 -5.359 7.039
64 HB VAL 8 HB VAL 8 8.643 -7.240 5.596
65 HG11 VAL 8 1HG1 VAL 8 9.252 -8.349 7.514
66 HG12 VAL 8 2HG1 VAL 8 9.490 -6.859 8.430
67 HG13 VAL 8 3HG1 VAL 8 7.858 -7.434 8.087
68 HG21 VAL 8 1HG2 VAL 8 7.128 -5.659 7.290
69 HG22 VAL 8 2HG2 VAL 8 8.225 -4.519 6.511
70 HG23 VAL 8 3HG2 VAL 8 7.185 -5.553 5.531
71 H LYS 9 H LYS 9 10.927 -6.963 3.959
72 HA LYS 9 HA LYS 9 12.941 -8.716 5.206
73 HB2 LYS 9 2HB LYS 9 12.396 -10.418 3.496
74 HB3 LYS 9 3HB LYS 9 11.040 -10.073 4.562
75 HG2 LYS 9 2HG LYS 9 9.873 -9.944 2.659
76 HG3 LYS 9 3HG LYS 9 10.567 -8.325 2.546
77 HD2 LYS 9 2HD LYS 9 11.263 -9.026 0.523
78 HD3 LYS 9 3HD LYS 9 12.548 -9.813 1.443
79 HE2 LYS 9 2HE LYS 9 11.864 -11.703 0.466
80 HE3 LYS 9 3HE LYS 9 10.500 -11.636 1.581
81 HZ1 LYS 9 1HZ LYS 9 9.099 -10.852 -0.035
82 HZ2 LYS 9 2HZ LYS 9 10.097 -11.857 -0.959
83 HZ3 LYS 9 3HZ LYS 9 10.342 -10.183 -0.968