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 |
|
|
11057 |
1qvk   |
6041 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 1 H ARG 1 -2.521 -0.124 -2.544
2 HA ARG 1 HA ARG 1 -3.996 2.227 -2.876
3 1HB ARG 1 HB2 ARG 1 -4.531 -0.175 -3.518
4 2HB ARG 1 HB3 ARG 1 -4.836 -0.513 -1.815
5 1HG ARG 1 HG2 ARG 1 -6.726 1.110 -1.831
6 2HG ARG 1 HG3 ARG 1 -6.379 1.494 -3.530
7 1HD ARG 1 HD2 ARG 1 -6.844 -0.877 -4.124
8 2HD ARG 1 HD3 ARG 1 -7.170 -1.235 -2.424
9 HE ARG 1 HE ARG 1 -9.085 0.241 -2.481
10 1HH1 ARG 1 1HH1 ARG 1 -7.858 -0.640 -5.717
11 2HH1 ARG 1 2HH1 ARG 1 -9.369 -0.235 -6.500
12 1HH2 ARG 1 1HH2 ARG 1 -11.000 0.750 -3.540
13 2HH2 ARG 1 2HH2 ARG 1 -11.140 0.547 -5.272
14 H ARG 2 H ARG 2 -2.618 0.962 -0.023
15 HA ARG 2 HA ARG 2 -4.175 2.630 1.785
16 1HB ARG 2 HB2 ARG 2 -5.056 0.699 3.129
17 2HB ARG 2 HB3 ARG 2 -5.761 0.854 1.525
18 1HG ARG 2 HG2 ARG 2 -3.955 -0.932 0.797
19 2HG ARG 2 HG3 ARG 2 -3.812 -1.238 2.520
20 1HD ARG 2 HD2 ARG 2 -6.436 -1.336 0.970
21 2HD ARG 2 HD3 ARG 2 -5.359 -2.723 1.178
22 HE ARG 2 HE ARG 2 -6.144 -1.422 3.675
23 1HH1 ARG 2 1HH1 ARG 2 -6.990 -3.970 1.324
24 2HH1 ARG 2 2HH1 ARG 2 -7.913 -4.888 2.491
25 1HH2 ARG 2 1HH2 ARG 2 -7.356 -2.659 5.158
26 2HH2 ARG 2 2HH2 ARG 2 -8.117 -4.150 4.647
27 H TRP 3 H TRP 3 -1.788 -0.106 1.681
28 HA TRP 3 HA TRP 3 -0.599 0.722 4.171
29 1HB TRP 3 HB2 TRP 3 0.507 -1.256 2.186
30 2HB TRP 3 HB3 TRP 3 0.762 -1.195 3.923
31 HD1 TRP 3 HD1 TRP 3 -2.020 -1.448 5.141
32 HE1 TRP 3 HE1 TRP 3 -3.548 -3.448 4.735
33 HE3 TRP 3 HE3 TRP 3 0.119 -3.196 0.849
34 HZ2 TRP 3 HZ2 TRP 3 -3.858 -5.540 2.726
35 HZ3 TRP 3 HZ3 TRP 3 -0.806 -5.197 -0.298
36 HH2 TRP 3 HH2 TRP 3 -2.792 -6.366 0.629
37 H TRP 4 H TRP 4 2.052 -0.057 2.890
38 HA TRP 4 HA TRP 4 3.342 2.352 3.157
39 1HB TRP 4 HB2 TRP 4 4.255 0.059 3.425
40 2HB TRP 4 HB3 TRP 4 4.219 -0.155 1.689
41 HD1 TRP 4 HD1 TRP 4 5.694 2.690 3.890
42 HE1 TRP 4 HE1 TRP 4 8.088 3.153 3.172
43 HE3 TRP 4 HE3 TRP 4 6.125 -0.860 0.215
44 HZ2 TRP 4 HZ2 TRP 4 9.983 2.119 1.232
45 HZ3 TRP 4 HZ3 TRP 4 8.240 -1.096 -1.041
46 HH2 TRP 4 HH2 TRP 4 10.173 0.384 -0.547
47 H ARG 5 H ARG 5 3.282 0.583 0.024
48 HA ARG 5 HA ARG 5 3.056 3.127 -1.500
49 1HB ARG 5 HB2 ARG 5 5.045 0.863 -1.950
50 2HB ARG 5 HB3 ARG 5 4.675 2.124 -3.136
51 1HG ARG 5 HG2 ARG 5 5.428 3.869 -1.540
52 2HG ARG 5 HG3 ARG 5 5.883 2.602 -0.384
53 1HD ARG 5 HD2 ARG 5 7.407 1.619 -2.106
54 2HD ARG 5 HD3 ARG 5 6.966 2.932 -3.213
55 HE ARG 5 HE ARG 5 7.983 3.833 -0.632
56 1HH1 ARG 5 1HH2 ARG 5 8.937 2.872 -3.930
57 2HH1 ARG 5 2HH2 ARG 5 10.473 3.705 -3.841
58 1HH2 ARG 5 1HH1 ARG 5 9.988 4.896 -0.561
59 2HH2 ARG 5 2HH1 ARG 5 11.064 4.846 -1.940
60 H PHE 6 H PHE 6 0.843 1.965 -0.964
61 HA PHE 6 HA PHE 6 -0.014 0.467 -3.355
62 1HB PHE 6 HB2 PHE 6 -0.683 -0.454 -0.541
63 2HB PHE 6 HB3 PHE 6 -1.104 -1.263 -2.032
64 HD1 PHE 6 HD1 PHE 6 1.669 -0.709 0.349
65 HD2 PHE 6 HD2 PHE 6 0.479 -2.581 -3.346
66 HE1 PHE 6 HE1 PHE 6 3.707 -2.120 0.406
67 HE2 PHE 6 HE2 PHE 6 2.521 -3.982 -3.287
68 HZ PHE 6 HZ PHE 6 4.140 -3.754 -1.414
Start of MODEL 2
1 H ARG 1 H ARG 1 -2.310 0.206 -3.115
2 HA ARG 1 HA ARG 1 -4.410 1.194 -2.744
3 1HB ARG 1 HB2 ARG 1 -3.905 -1.242 -2.424
4 2HB ARG 1 HB3 ARG 1 -3.729 -0.961 -0.703
5 1HG ARG 1 HG2 ARG 1 -6.109 -0.115 -0.617
6 2HG ARG 1 HG3 ARG 1 -6.238 -0.365 -2.361
7 1HD ARG 1 HD2 ARG 1 -7.305 -2.198 -1.238
8 2HD ARG 1 HD3 ARG 1 -5.845 -2.800 -2.030
9 HE ARG 1 HE ARG 1 -4.723 -2.605 0.216
10 1HH1 ARG 1 1HH1 ARG 1 -8.250 -3.139 0.108
11 2HH1 ARG 1 2HH1 ARG 1 -8.275 -3.903 1.682
12 1HH2 ARG 1 1HH2 ARG 1 -4.807 -3.598 2.224
13 2HH2 ARG 1 2HH2 ARG 1 -6.330 -4.163 2.875
14 H ARG 2 H ARG 2 -3.333 0.417 0.474
15 HA ARG 2 HA ARG 2 -3.717 3.082 1.589
16 1HB ARG 2 HB2 ARG 2 -5.417 2.420 3.245
17 2HB ARG 2 HB3 ARG 2 -6.032 2.198 1.610
18 1HG ARG 2 HG2 ARG 2 -5.525 -0.264 1.775
19 2HG ARG 2 HG3 ARG 2 -4.993 -0.014 3.447
20 1HD ARG 2 HD2 ARG 2 -7.256 0.875 4.002
21 2HD ARG 2 HD3 ARG 2 -7.770 0.541 2.333
22 HE ARG 2 HE ARG 2 -6.645 -1.810 3.489
23 1HH1 ARG 2 1HH1 ARG 2 -9.615 0.151 3.715
24 2HH1 ARG 2 2HH1 ARG 2 -10.592 -1.210 4.218
25 1HH2 ARG 2 1HH2 ARG 2 -7.948 -3.536 4.142
26 2HH2 ARG 2 2HH2 ARG 2 -9.650 -3.292 4.460
27 H TRP 3 H TRP 3 -1.455 1.218 1.230
28 HA TRP 3 HA TRP 3 -0.391 1.117 3.893
29 1HB TRP 3 HB2 TRP 3 0.074 -1.334 3.794
30 2HB TRP 3 HB3 TRP 3 -1.611 -0.932 4.054
31 HD1 TRP 3 HD1 TRP 3 -3.358 -1.585 2.203
32 HE1 TRP 3 HE1 TRP 3 -3.326 -3.193 0.235
33 HE3 TRP 3 HE3 TRP 3 1.708 -2.374 1.880
34 HZ2 TRP 3 HZ2 TRP 3 -1.358 -4.606 -1.349
35 HZ3 TRP 3 HZ3 TRP 3 2.616 -3.863 0.133
36 HH2 TRP 3 HH2 TRP 3 1.103 -4.973 -1.493
37 H TRP 4 H TRP 4 1.658 1.384 3.766
38 HA TRP 4 HA TRP 4 3.643 1.990 3.108
39 1HB TRP 4 HB2 TRP 4 3.752 -0.495 3.242
40 2HB TRP 4 HB3 TRP 4 3.658 -0.569 1.492
41 HD1 TRP 4 HD1 TRP 4 5.792 1.591 3.911
42 HE1 TRP 4 HE1 TRP 4 8.249 1.406 3.307
43 HE3 TRP 4 HE3 TRP 4 5.408 -1.706 -0.003
44 HZ2 TRP 4 HZ2 TRP 4 9.882 -0.013 1.383
45 HZ3 TRP 4 HZ3 TRP 4 7.446 -2.463 -1.184
46 HH2 TRP 4 HH2 TRP 4 9.684 -1.628 -0.503
47 H ARG 5 H ARG 5 3.150 0.520 -0.103
48 HA ARG 5 HA ARG 5 3.528 3.189 -1.379
49 1HB ARG 5 HB2 ARG 5 4.864 0.520 -1.979
50 2HB ARG 5 HB3 ARG 5 4.928 1.921 -3.058
51 1HG ARG 5 HG2 ARG 5 5.965 3.286 -1.281
52 2HG ARG 5 HG3 ARG 5 5.960 1.888 -0.193
53 1HD ARG 5 HD2 ARG 5 7.406 0.646 -1.771
54 2HD ARG 5 HD3 ARG 5 7.403 2.038 -2.870
55 HE ARG 5 HE ARG 5 8.236 2.920 -0.313
56 1HH1 ARG 5 1HH1 ARG 5 9.491 0.876 -2.952
57 2HH1 ARG 5 2HH1 ARG 5 11.160 1.243 -2.577
58 1HH2 ARG 5 1HH2 ARG 5 10.405 3.368 0.132
59 2HH2 ARG 5 2HH2 ARG 5 11.677 2.652 -0.832
60 H PHE 6 H PHE 6 1.088 1.355 -0.856
61 HA PHE 6 HA PHE 6 -0.051 1.409 -3.566
62 1HB PHE 6 HB2 PHE 6 -0.250 -1.074 -1.828
63 2HB PHE 6 HB3 PHE 6 -0.780 -0.885 -3.484
64 HD1 PHE 6 HD1 PHE 6 2.154 -1.479 -1.324
65 HD2 PHE 6 HD2 PHE 6 0.791 -0.954 -5.383
66 HE1 PHE 6 HE1 PHE 6 4.292 -2.407 -2.165
67 HE2 PHE 6 HE2 PHE 6 2.938 -1.867 -6.216
68 HZ PHE 6 HZ PHE 6 4.691 -2.599 -4.612
Start of MODEL 3
1 H ARG 1 H ARG 1 -2.364 -0.240 -2.641
2 HA ARG 1 HA ARG 1 -4.285 1.473 -2.857
3 1HB ARG 1 HB2 ARG 1 -4.515 -0.958 -2.766
4 2HB ARG 1 HB3 ARG 1 -4.243 -0.946 -1.022
5 1HG ARG 1 HG2 ARG 1 -6.385 0.405 -0.765
6 2HG ARG 1 HG3 ARG 1 -6.628 0.241 -2.511
7 1HD ARG 1 HD2 ARG 1 -7.945 -1.432 -1.391
8 2HD ARG 1 HD3 ARG 1 -6.625 -2.253 -2.230
9 HE ARG 1 HE ARG 1 -5.428 -2.307 -0.026
10 1HH1 ARG 1 1HH1 ARG 1 -8.996 -2.165 0.007
11 2HH1 ARG 1 2HH1 ARG 1 -9.099 -2.890 1.596
12 1HH2 ARG 1 1HH2 ARG 1 -5.624 -3.235 2.010
13 2HH2 ARG 1 2HH2 ARG 1 -7.200 -3.491 2.723
14 H ARG 2 H ARG 2 -3.367 0.423 0.400
15 HA ARG 2 HA ARG 2 -3.577 3.090 1.528
16 1HB ARG 2 HB2 ARG 2 -5.262 2.520 3.226
17 2HB ARG 2 HB3 ARG 2 -5.917 2.392 1.600
18 1HG ARG 2 HG2 ARG 2 -5.419 -0.164 1.783
19 2HG ARG 2 HG3 ARG 2 -5.221 0.131 3.513
20 1HD ARG 2 HD2 ARG 2 -7.682 0.734 1.818
21 2HD ARG 2 HD3 ARG 2 -7.503 -0.613 2.944
22 HE ARG 2 HE ARG 2 -7.241 1.115 4.758
23 1HH1 ARG 2 1HH1 ARG 2 -9.182 1.892 1.858
24 2HH1 ARG 2 2HH1 ARG 2 -10.187 3.030 2.726
25 1HH2 ARG 2 1HH2 ARG 2 -8.573 2.587 5.821
26 2HH2 ARG 2 2HH2 ARG 2 -9.844 3.421 4.954
27 H TRP 3 H TRP 3 -1.419 1.225 1.032
28 HA TRP 3 HA TRP 3 -0.653 0.291 3.729
29 1HB TRP 3 HB2 TRP 3 0.292 -0.811 1.078
30 2HB TRP 3 HB3 TRP 3 0.471 -1.520 2.679
31 HD1 TRP 3 HD1 TRP 3 -2.911 -1.148 3.118
32 HE1 TRP 3 HE1 TRP 3 -4.325 -3.014 2.154
33 HE3 TRP 3 HE3 TRP 3 0.559 -3.228 -0.019
34 HZ2 TRP 3 HZ2 TRP 3 -4.005 -5.194 0.254
35 HZ3 TRP 3 HZ3 TRP 3 -0.009 -5.227 -1.354
36 HH2 TRP 3 HH2 TRP 3 -2.283 -6.218 -1.232
37 H TRP 4 H TRP 4 1.999 -0.267 2.569
38 HA TRP 4 HA TRP 4 3.483 1.996 3.287
39 1HB TRP 4 HB2 TRP 4 4.239 -0.317 3.404
40 2HB TRP 4 HB3 TRP 4 4.108 -0.498 1.665
41 HD1 TRP 4 HD1 TRP 4 6.044 1.998 3.932
42 HE1 TRP 4 HE1 TRP 4 8.476 2.075 3.189
43 HE3 TRP 4 HE3 TRP 4 5.793 -1.311 0.024
44 HZ2 TRP 4 HZ2 TRP 4 10.150 0.793 1.188
45 HZ3 TRP 4 HZ3 TRP 4 7.819 -1.861 -1.275
46 HH2 TRP 4 HH2 TRP 4 10.002 -0.826 -0.702
47 H ARG 5 H ARG 5 2.936 0.607 -0.006
48 HA ARG 5 HA ARG 5 3.210 3.271 -1.263
49 1HB ARG 5 HB2 ARG 5 4.930 0.832 -1.906
50 2HB ARG 5 HB3 ARG 5 4.805 2.269 -2.935
51 1HG ARG 5 HG2 ARG 5 5.619 3.692 -1.070
52 2HG ARG 5 HG3 ARG 5 5.851 2.240 -0.082
53 1HD ARG 5 HD2 ARG 5 7.439 1.354 -1.773
54 2HD ARG 5 HD3 ARG 5 7.259 2.859 -2.700
55 HE ARG 5 HE ARG 5 7.899 3.521 -0.023
56 1HH1 ARG 5 1HH1 ARG 5 9.518 2.021 -2.821
57 2HH1 ARG 5 2HH1 ARG 5 11.112 2.493 -2.276
58 1HH2 ARG 5 1HH2 ARG 5 9.968 4.104 0.644
59 2HH2 ARG 5 2HH2 ARG 5 11.367 3.674 -0.314
60 H PHE 6 H PHE 6 0.875 1.594 -0.780
61 HA PHE 6 HA PHE 6 -0.015 1.073 -3.541
62 1HB PHE 6 HB2 PHE 6 -0.392 -0.983 -1.340
63 2HB PHE 6 HB3 PHE 6 -0.839 -1.146 -3.022
64 HD1 PHE 6 HD1 PHE 6 2.005 -1.364 -0.675
65 HD2 PHE 6 HD2 PHE 6 0.786 -1.529 -4.812
66 HE1 PHE 6 HE1 PHE 6 4.169 -2.408 -1.280
67 HE2 PHE 6 HE2 PHE 6 2.956 -2.562 -5.407
68 HZ PHE 6 HZ PHE 6 4.653 -3.000 -3.644
Start of MODEL 4
1 H ARG 1 H ARG 1 -2.558 -0.252 -2.522
2 HA ARG 1 HA ARG 1 -3.977 2.130 -2.936
3 1HB ARG 1 HB2 ARG 1 -4.677 -0.661 -1.963
4 2HB ARG 1 HB3 ARG 1 -5.907 0.602 -2.053
5 1HG ARG 1 HG2 ARG 1 -5.396 0.904 -4.491
6 2HG ARG 1 HG3 ARG 1 -4.238 -0.431 -4.385
7 1HD ARG 1 HD2 ARG 1 -6.348 -1.267 -5.272
8 2HD ARG 1 HD3 ARG 1 -6.064 -1.957 -3.671
9 HE ARG 1 HE ARG 1 -7.857 -0.784 -2.801
10 1HH1 ARG 1 1HH2 ARG 1 -7.347 0.335 -6.149
11 2HH1 ARG 1 2HH2 ARG 1 -8.850 1.231 -6.178
12 1HH2 ARG 1 1HH1 ARG 1 -9.775 0.392 -2.885
13 2HH2 ARG 1 2HH1 ARG 1 -10.219 1.262 -4.335
14 H ARG 2 H ARG 2 -2.821 0.703 -0.006
15 HA ARG 2 HA ARG 2 -3.799 2.958 1.548
16 1HB ARG 2 HB2 ARG 2 -5.135 1.885 3.147
17 2HB ARG 2 HB3 ARG 2 -5.761 1.410 1.584
18 1HG ARG 2 HG2 ARG 2 -4.014 -0.303 3.414
19 2HG ARG 2 HG3 ARG 2 -5.757 -0.406 3.277
20 1HD ARG 2 HD2 ARG 2 -3.804 -1.051 1.028
21 2HD ARG 2 HD3 ARG 2 -4.637 -2.208 2.068
22 HE ARG 2 HE ARG 2 -6.475 -0.409 0.758
23 1HH1 ARG 2 1HH2 ARG 2 -4.636 -3.426 0.280
24 2HH1 ARG 2 2HH2 ARG 2 -5.777 -4.056 -0.887
25 1HH2 ARG 2 1HH1 ARG 2 -7.929 -1.269 -0.743
26 2HH2 ARG 2 2HH1 ARG 2 -7.639 -2.836 -1.465
27 H TRP 3 H TRP 3 -1.823 -0.081 1.716
28 HA TRP 3 HA TRP 3 -0.576 0.679 4.161
29 1HB TRP 3 HB2 TRP 3 0.355 -1.324 2.101
30 2HB TRP 3 HB3 TRP 3 0.716 -1.295 3.827
31 HD1 TRP 3 HD1 TRP 3 -1.952 -1.324 5.232
32 HE1 TRP 3 HE1 TRP 3 -3.621 -3.235 5.006
33 HE3 TRP 3 HE3 TRP 3 -0.295 -3.275 0.817
34 HZ2 TRP 3 HZ2 TRP 3 -4.202 -5.360 3.100
35 HZ3 TRP 3 HZ3 TRP 3 -1.433 -5.240 -0.198
36 HH2 TRP 3 HH2 TRP 3 -3.382 -6.283 0.934
37 H TRP 4 H TRP 4 2.037 -0.198 2.826
38 HA TRP 4 HA TRP 4 3.427 2.108 3.219
39 1HB TRP 4 HB2 TRP 4 4.183 -0.309 3.193
40 2HB TRP 4 HB3 TRP 4 4.269 -0.224 1.456
41 HD1 TRP 4 HD1 TRP 4 5.594 2.374 4.013
42 HE1 TRP 4 HE1 TRP 4 8.077 2.743 3.635
43 HE3 TRP 4 HE3 TRP 4 6.354 -1.069 0.288
44 HZ2 TRP 4 HZ2 TRP 4 10.175 1.661 1.949
45 HZ3 TRP 4 HZ3 TRP 4 8.615 -1.383 -0.666
46 HH2 TRP 4 HH2 TRP 4 10.530 -0.031 0.154
47 H ARG 5 H ARG 5 3.227 0.629 -0.037
48 HA ARG 5 HA ARG 5 3.127 3.323 -1.313
49 1HB ARG 5 HB2 ARG 5 4.730 0.851 -2.074
50 2HB ARG 5 HB3 ARG 5 4.576 2.297 -3.085
51 1HG ARG 5 HG2 ARG 5 5.585 3.690 -1.328
52 2HG ARG 5 HG3 ARG 5 5.751 2.281 -0.268
53 1HD ARG 5 HD2 ARG 5 7.263 1.205 -1.873
54 2HD ARG 5 HD3 ARG 5 7.078 2.580 -2.982
55 HE ARG 5 HE ARG 5 7.967 3.292 -0.292
56 1HH1 ARG 5 1HH1 ARG 5 9.101 2.355 -3.539
57 2HH1 ARG 5 2HH1 ARG 5 10.666 3.105 -3.319
58 1HH2 ARG 5 1HH2 ARG 5 10.001 4.253 -0.056
59 2HH2 ARG 5 2HH2 ARG 5 11.173 4.176 -1.351
60 H PHE 6 H PHE 6 1.038 1.043 -0.648
61 HA PHE 6 HA PHE 6 0.093 0.279 -3.315
62 1HB PHE 6 HB2 PHE 6 -0.755 -0.620 -0.557
63 2HB PHE 6 HB3 PHE 6 -1.162 -1.388 -2.074
64 HD1 PHE 6 HD1 PHE 6 1.693 -0.830 0.267
65 HD2 PHE 6 HD2 PHE 6 0.285 -2.867 -3.266
66 HE1 PHE 6 HE1 PHE 6 3.690 -2.298 0.311
67 HE2 PHE 6 HE2 PHE 6 2.279 -4.333 -3.208
68 HZ PHE 6 HZ PHE 6 3.988 -4.048 -1.426
Start of MODEL 5
1 H ARG 1 H ARG 1 -2.547 0.076 -2.494
2 HA ARG 1 HA ARG 1 -3.698 2.664 -2.483
3 1HB ARG 1 HB2 ARG 1 -4.836 0.667 -3.386
4 2HB ARG 1 HB3 ARG 1 -4.832 -0.074 -1.796
5 1HG ARG 1 HG2 ARG 1 -7.001 0.672 -1.986
6 2HG ARG 1 HG3 ARG 1 -6.289 1.960 -1.031
7 1HD ARG 1 HD2 ARG 1 -6.756 2.023 -4.049
8 2HD ARG 1 HD3 ARG 1 -7.822 2.734 -2.829
9 HE ARG 1 HE ARG 1 -5.083 3.699 -2.682
10 1HH1 ARG 1 1HH2 ARG 1 -8.244 4.248 -4.238
11 2HH1 ARG 1 2HH2 ARG 1 -7.871 5.907 -4.643
12 1HH2 ARG 1 1HH1 ARG 1 -4.641 5.852 -3.238
13 2HH2 ARG 1 2HH1 ARG 1 -5.839 6.811 -4.078
14 H ARG 2 H ARG 2 -4.235 0.256 0.059
15 HA ARG 2 HA ARG 2 -4.477 2.354 2.029
16 1HB ARG 2 HB2 ARG 2 -5.681 0.840 3.314
17 2HB ARG 2 HB3 ARG 2 -6.236 0.740 1.660
18 1HG ARG 2 HG2 ARG 2 -4.348 -1.253 2.977
19 2HG ARG 2 HG3 ARG 2 -6.090 -1.433 2.935
20 1HD ARG 2 HD2 ARG 2 -4.277 -1.429 0.488
21 2HD ARG 2 HD3 ARG 2 -5.005 -2.830 1.269
22 HE ARG 2 HE ARG 2 -6.930 -0.802 0.449
23 1HH1 ARG 2 1HH1 ARG 2 -5.221 -3.765 -0.565
24 2HH1 ARG 2 2HH1 ARG 2 -6.440 -4.185 -1.747
25 1HH2 ARG 2 1HH2 ARG 2 -8.486 -1.394 -1.090
26 2HH2 ARG 2 2HH2 ARG 2 -8.282 -2.847 -2.042
27 H TRP 3 H TRP 3 -1.628 0.788 1.182
28 HA TRP 3 HA TRP 3 -0.579 1.060 3.889
29 1HB TRP 3 HB2 TRP 3 0.415 -1.138 2.100
30 2HB TRP 3 HB3 TRP 3 0.596 -0.965 3.835
31 HD1 TRP 3 HD1 TRP 3 -1.830 -1.421 5.251
32 HE1 TRP 3 HE1 TRP 3 -3.444 -3.363 4.904
33 HE3 TRP 3 HE3 TRP 3 -0.431 -2.731 0.541
34 HZ2 TRP 3 HZ2 TRP 3 -4.124 -5.231 2.762
35 HZ3 TRP 3 HZ3 TRP 3 -1.601 -4.574 -0.670
36 HH2 TRP 3 HH2 TRP 3 -3.449 -5.816 0.434
37 H TRP 4 H TRP 4 1.817 0.518 3.376
38 HA TRP 4 HA TRP 4 3.436 2.444 3.053
39 1HB TRP 4 HB2 TRP 4 3.896 -0.006 3.434
40 2HB TRP 4 HB3 TRP 4 3.955 -0.239 1.718
41 HD1 TRP 4 HD1 TRP 4 5.689 2.612 3.695
42 HE1 TRP 4 HE1 TRP 4 8.201 2.476 3.343
43 HE3 TRP 4 HE3 TRP 4 5.864 -1.615 0.805
44 HZ2 TRP 4 HZ2 TRP 4 10.095 0.672 2.084
45 HZ3 TRP 4 HZ3 TRP 4 8.041 -2.532 0.071
46 HH2 TRP 4 HH2 TRP 4 10.160 -1.411 0.716
47 H ARG 5 H ARG 5 3.143 0.506 0.062
48 HA ARG 5 HA ARG 5 3.456 2.915 -1.649
49 1HB ARG 5 HB2 ARG 5 5.040 0.313 -1.733
50 2HB ARG 5 HB3 ARG 5 5.051 1.535 -3.015
51 1HG ARG 5 HG2 ARG 5 5.929 3.226 -1.453
52 2HG ARG 5 HG3 ARG 5 5.938 2.033 -0.141
53 1HD ARG 5 HD2 ARG 5 7.510 0.621 -1.412
54 2HD ARG 5 HD3 ARG 5 7.525 1.815 -2.727
55 HE ARG 5 HE ARG 5 8.194 3.286 -0.503
56 1HH1 ARG 5 1HH2 ARG 5 9.585 0.364 -1.993
57 2HH1 ARG 5 2HH2 ARG 5 11.203 0.721 -1.433
58 1HH2 ARG 5 1HH1 ARG 5 10.304 3.711 0.203
59 2HH2 ARG 5 2HH1 ARG 5 11.608 2.612 -0.188
60 H PHE 6 H PHE 6 1.042 1.819 -1.013
61 HA PHE 6 HA PHE 6 0.050 0.514 -3.453
62 1HB PHE 6 HB2 PHE 6 -0.571 -0.537 -0.669
63 2HB PHE 6 HB3 PHE 6 -1.064 -1.245 -2.197
64 HD1 PHE 6 HD1 PHE 6 1.719 -0.925 0.206
65 HD2 PHE 6 HD2 PHE 6 0.520 -2.519 -3.619
66 HE1 PHE 6 HE1 PHE 6 3.741 -2.351 0.165
67 HE2 PHE 6 HE2 PHE 6 2.549 -3.943 -3.653
68 HZ PHE 6 HZ PHE 6 4.168 -3.854 -1.768
Start of MODEL 6
1 H ARG 1 H ARG 1 -2.466 -0.054 -2.395
2 HA ARG 1 HA ARG 1 -3.578 2.520 -2.612
3 1HB ARG 1 HB2 ARG 1 -4.505 0.234 -3.280
4 2HB ARG 1 HB3 ARG 1 -4.951 -0.022 -1.612
5 1HG ARG 1 HG2 ARG 1 -5.982 2.188 -3.463
6 2HG ARG 1 HG3 ARG 1 -6.804 0.691 -3.054
7 1HD ARG 1 HD2 ARG 1 -7.894 2.181 -1.695
8 2HD ARG 1 HD3 ARG 1 -6.694 1.506 -0.584
9 HE ARG 1 HE ARG 1 -5.660 3.834 -1.903
10 1HH1 ARG 1 1HH1 ARG 1 -8.010 2.981 0.640
11 2HH1 ARG 1 2HH1 ARG 1 -7.824 4.513 1.463
12 1HH2 ARG 1 1HH2 ARG 1 -5.452 5.794 -0.808
13 2HH2 ARG 1 2HH2 ARG 1 -6.379 6.105 0.644
14 H ARG 2 H ARG 2 -4.258 0.350 0.104
15 HA ARG 2 HA ARG 2 -4.461 2.579 1.946
16 1HB ARG 2 HB2 ARG 2 -5.509 0.900 3.402
17 2HB ARG 2 HB3 ARG 2 -6.275 1.106 1.835
18 1HG ARG 2 HG2 ARG 2 -5.354 -0.962 0.986
19 2HG ARG 2 HG3 ARG 2 -4.315 -1.155 2.397
20 1HD ARG 2 HD2 ARG 2 -7.358 -1.174 2.428
21 2HD ARG 2 HD3 ARG 2 -6.335 -2.618 2.434
22 HE ARG 2 HE ARG 2 -5.339 -1.552 4.584
23 1HH1 ARG 2 1HH1 ARG 2 -8.799 -1.413 3.718
24 2HH1 ARG 2 2HH1 ARG 2 -9.311 -1.308 5.387
25 1HH2 ARG 2 1HH2 ARG 2 -6.052 -1.411 6.720
26 2HH2 ARG 2 2HH2 ARG 2 -7.761 -1.306 7.078
27 H TRP 3 H TRP 3 -1.736 0.726 1.188
28 HA TRP 3 HA TRP 3 -0.700 0.835 3.976
29 1HB TRP 3 HB2 TRP 3 0.173 -1.177 1.919
30 2HB TRP 3 HB3 TRP 3 0.510 -1.161 3.647
31 HD1 TRP 3 HD1 TRP 3 -2.329 -1.135 4.896
32 HE1 TRP 3 HE1 TRP 3 -3.886 -3.135 4.645
33 HE3 TRP 3 HE3 TRP 3 -0.149 -3.319 0.819
34 HZ2 TRP 3 HZ2 TRP 3 -4.229 -5.371 2.806
35 HZ3 TRP 3 HZ3 TRP 3 -1.111 -5.375 -0.169
36 HH2 TRP 3 HH2 TRP 3 -3.153 -6.400 0.805
37 H TRP 4 H TRP 4 1.892 -0.092 2.698
38 HA TRP 4 HA TRP 4 3.357 2.177 3.008
39 1HB TRP 4 HB2 TRP 4 4.147 -0.126 3.201
40 2HB TRP 4 HB3 TRP 4 3.941 -0.392 1.491
41 HD1 TRP 4 HD1 TRP 4 5.788 2.545 3.212
42 HE1 TRP 4 HE1 TRP 4 8.177 2.658 2.354
43 HE3 TRP 4 HE3 TRP 4 5.761 -1.601 0.159
44 HZ2 TRP 4 HZ2 TRP 4 9.900 1.129 0.599
45 HZ3 TRP 4 HZ3 TRP 4 7.793 -2.233 -1.072
46 HH2 TRP 4 HH2 TRP 4 9.870 -0.889 -0.864
47 H ARG 5 H ARG 5 3.694 0.635 -0.161
48 HA ARG 5 HA ARG 5 3.439 3.240 -1.570
49 1HB ARG 5 HB2 ARG 5 4.778 0.584 -2.203
50 2HB ARG 5 HB3 ARG 5 4.548 1.847 -3.422
51 1HG ARG 5 HG2 ARG 5 5.848 3.444 -2.153
52 2HG ARG 5 HG3 ARG 5 6.017 2.321 -0.791
53 1HD ARG 5 HD2 ARG 5 7.307 0.772 -2.140
54 2HD ARG 5 HD3 ARG 5 7.033 1.724 -3.599
55 HE ARG 5 HE ARG 5 8.821 2.375 -1.326
56 1HH1 ARG 5 1HH2 ARG 5 7.558 3.385 -4.506
57 2HH1 ARG 5 2HH2 ARG 5 8.784 4.616 -4.715
58 1HH2 ARG 5 1HH1 ARG 5 10.380 3.988 -1.639
59 2HH2 ARG 5 2HH1 ARG 5 10.372 4.955 -3.097
60 H PHE 6 H PHE 6 1.443 0.716 -0.733
61 HA PHE 6 HA PHE 6 0.129 0.185 -3.267
62 1HB PHE 6 HB2 PHE 6 -0.595 -0.619 -0.434
63 2HB PHE 6 HB3 PHE 6 -1.151 -1.380 -1.911
64 HD1 PHE 6 HD1 PHE 6 0.201 -2.928 -3.203
65 HD2 PHE 6 HD2 PHE 6 1.798 -1.055 0.340
66 HE1 PHE 6 HE1 PHE 6 2.078 -4.544 -3.185
67 HE2 PHE 6 HE2 PHE 6 3.655 -2.688 0.365
68 HZ PHE 6 HZ PHE 6 3.807 -4.430 -1.401
Start of MODEL 7
1 H ARG 1 H ARG 1 -2.460 -0.001 -2.567
2 HA ARG 1 HA ARG 1 -3.845 2.424 -2.584
3 1HB ARG 1 HB2 ARG 1 -4.842 0.444 -3.405
4 2HB ARG 1 HB3 ARG 1 -4.546 -0.445 -1.920
5 1HG ARG 1 HG2 ARG 1 -6.916 0.111 -2.377
6 2HG ARG 1 HG3 ARG 1 -6.351 0.579 -0.790
7 1HD ARG 1 HD2 ARG 1 -6.234 2.684 -2.939
8 2HD ARG 1 HD3 ARG 1 -7.838 2.164 -2.425
9 HE ARG 1 HE ARG 1 -5.965 3.775 -0.921
10 1HH1 ARG 1 1HH1 ARG 1 -8.694 1.509 -0.546
11 2HH1 ARG 1 2HH1 ARG 1 -9.109 2.111 1.044
12 1HH2 ARG 1 1HH2 ARG 1 -6.542 4.518 1.147
13 2HH2 ARG 1 2HH2 ARG 1 -7.896 3.805 1.994
14 H ARG 2 H ARG 2 -4.175 0.197 0.147
15 HA ARG 2 HA ARG 2 -4.465 2.501 1.900
16 1HB ARG 2 HB2 ARG 2 -5.746 1.197 3.265
17 2HB ARG 2 HB3 ARG 2 -6.153 0.741 1.617
18 1HG ARG 2 HG2 ARG 2 -4.594 -1.277 1.912
19 2HG ARG 2 HG3 ARG 2 -4.482 -0.796 3.623
20 1HD ARG 2 HD2 ARG 2 -7.004 -0.908 3.742
21 2HD ARG 2 HD3 ARG 2 -6.986 -1.615 2.112
22 HE ARG 2 HE ARG 2 -5.242 -2.952 4.029
23 1HH1 ARG 2 1HH2 ARG 2 -8.578 -2.894 2.771
24 2HH1 ARG 2 2HH2 ARG 2 -8.925 -4.511 3.341
25 1HH2 ARG 2 1HH1 ARG 2 -5.735 -5.024 4.753
26 2HH2 ARG 2 2HH1 ARG 2 -7.315 -5.718 4.463
27 H TRP 3 H TRP 3 -1.697 0.703 1.241
28 HA TRP 3 HA TRP 3 -0.661 0.916 4.017
29 1HB TRP 3 HB2 TRP 3 0.283 -1.121 2.015
30 2HB TRP 3 HB3 TRP 3 0.555 -1.073 3.756
31 HD1 TRP 3 HD1 TRP 3 -2.139 -1.227 5.060
32 HE1 TRP 3 HE1 TRP 3 -3.656 -3.256 4.792
33 HE3 TRP 3 HE3 TRP 3 -0.183 -3.091 0.729
34 HZ2 TRP 3 HZ2 TRP 3 -4.019 -5.430 2.885
35 HZ3 TRP 3 HZ3 TRP 3 -1.116 -5.158 -0.287
36 HH2 TRP 3 HH2 TRP 3 -3.032 -6.326 0.778
37 H TRP 4 H TRP 4 1.930 0.003 2.831
38 HA TRP 4 HA TRP 4 3.376 2.274 3.096
39 1HB TRP 4 HB2 TRP 4 4.087 -0.074 3.369
40 2HB TRP 4 HB3 TRP 4 4.008 -0.329 1.647
41 HD1 TRP 4 HD1 TRP 4 5.777 2.540 3.564
42 HE1 TRP 4 HE1 TRP 4 8.244 2.564 2.957
43 HE3 TRP 4 HE3 TRP 4 5.892 -1.534 0.411
44 HZ2 TRP 4 HZ2 TRP 4 10.086 0.951 1.411
45 HZ3 TRP 4 HZ3 TRP 4 8.018 -2.254 -0.583
46 HH2 TRP 4 HH2 TRP 4 10.126 -1.039 -0.090
47 H ARG 5 H ARG 5 3.200 0.526 -0.022
48 HA ARG 5 HA ARG 5 3.308 3.056 -1.574
49 1HB ARG 5 HB2 ARG 5 5.149 0.634 -1.781
50 2HB ARG 5 HB3 ARG 5 5.009 1.877 -3.038
51 1HG ARG 5 HG2 ARG 5 5.730 3.622 -1.494
52 2HG ARG 5 HG3 ARG 5 5.820 2.464 -0.158
53 1HD ARG 5 HD2 ARG 5 7.576 1.208 -1.298
54 2HD ARG 5 HD3 ARG 5 7.493 2.311 -2.688
55 HE ARG 5 HE ARG 5 7.893 3.931 -0.455
56 1HH1 ARG 5 1HH2 ARG 5 9.737 1.326 -2.039
57 2HH1 ARG 5 2HH2 ARG 5 11.280 1.958 -1.508
58 1HH2 ARG 5 1HH1 ARG 5 9.905 4.711 0.211
59 2HH2 ARG 5 2HH1 ARG 5 11.373 3.873 -0.233
60 H PHE 6 H PHE 6 1.018 1.820 -1.010
61 HA PHE 6 HA PHE 6 0.067 0.589 -3.507
62 1HB PHE 6 HB2 PHE 6 -0.513 -0.594 -0.773
63 2HB PHE 6 HB3 PHE 6 -1.014 -1.237 -2.325
64 HD1 PHE 6 HD1 PHE 6 0.692 -2.128 -3.975
65 HD2 PHE 6 HD2 PHE 6 1.665 -1.272 0.141
66 HE1 PHE 6 HE1 PHE 6 2.712 -3.551 -4.152
67 HE2 PHE 6 HE2 PHE 6 3.675 -2.707 -0.040
68 HZ PHE 6 HZ PHE 6 4.206 -3.845 -2.186
Start of MODEL 8
1 H ARG 1 H ARG 1 -2.266 -0.235 -2.730
2 HA ARG 1 HA ARG 1 -4.300 1.087 -2.732
3 1HB ARG 1 HB2 ARG 1 -4.071 -1.329 -2.249
4 2HB ARG 1 HB3 ARG 1 -3.777 -0.989 -0.567
5 1HG ARG 1 HG2 ARG 1 -6.134 -1.756 -1.151
6 2HG ARG 1 HG3 ARG 1 -6.013 -0.307 -0.167
7 1HD ARG 1 HD2 ARG 1 -6.374 1.082 -2.236
8 2HD ARG 1 HD3 ARG 1 -6.640 -0.414 -3.142
9 HE ARG 1 HE ARG 1 -8.512 -0.831 -1.455
10 1HH1 ARG 1 1HH1 ARG 1 -7.600 2.500 -2.386
11 2HH1 ARG 1 2HH1 ARG 1 -9.199 3.126 -2.057
12 1HH2 ARG 1 1HH2 ARG 1 -10.558 0.044 -1.051
13 2HH2 ARG 1 2HH2 ARG 1 -10.857 1.749 -1.308
14 H ARG 2 H ARG 2 -3.597 0.476 0.662
15 HA ARG 2 HA ARG 2 -3.144 3.240 1.375
16 1HB ARG 2 HB2 ARG 2 -4.911 3.196 3.201
17 2HB ARG 2 HB3 ARG 2 -5.445 3.462 1.548
18 1HG ARG 2 HG2 ARG 2 -6.261 1.186 1.346
19 2HG ARG 2 HG3 ARG 2 -5.579 0.745 2.924
20 1HD ARG 2 HD2 ARG 2 -7.980 1.100 3.032
21 2HD ARG 2 HD3 ARG 2 -7.115 2.300 4.014
22 HE ARG 2 HE ARG 2 -7.420 3.901 2.127
23 1HH1 ARG 2 2HH1 ARG 2 -9.790 1.240 2.385
24 2HH1 ARG 2 1HH1 ARG 2 -11.007 2.127 1.495
25 1HH2 ARG 2 1HH2 ARG 2 -9.015 4.984 0.993
26 2HH2 ARG 2 2HH2 ARG 2 -10.572 4.237 0.712
27 H TRP 3 H TRP 3 -1.507 1.034 1.182
28 HA TRP 3 HA TRP 3 -0.436 0.878 3.876
29 1HB TRP 3 HB2 TRP 3 0.057 -1.537 3.649
30 2HB TRP 3 HB3 TRP 3 -1.649 -1.187 3.849
31 HD1 TRP 3 HD1 TRP 3 -3.289 -1.826 1.943
32 HE1 TRP 3 HE1 TRP 3 -3.153 -3.325 -0.103
33 HE3 TRP 3 HE3 TRP 3 1.839 -2.385 1.651
34 HZ2 TRP 3 HZ2 TRP 3 -1.108 -4.575 -1.712
35 HZ3 TRP 3 HZ3 TRP 3 2.811 -3.744 -0.142
36 HH2 TRP 3 HH2 TRP 3 1.365 -4.837 -1.839
37 H TRP 4 H TRP 4 1.578 1.328 3.755
38 HA TRP 4 HA TRP 4 3.606 1.923 3.148
39 1HB TRP 4 HB2 TRP 4 3.755 -0.532 3.187
40 2HB TRP 4 HB3 TRP 4 3.510 -0.586 1.451
41 HD1 TRP 4 HD1 TRP 4 5.908 1.604 3.577
42 HE1 TRP 4 HE1 TRP 4 8.298 1.275 2.784
43 HE3 TRP 4 HE3 TRP 4 5.078 -1.902 -0.089
44 HZ2 TRP 4 HZ2 TRP 4 9.712 -0.361 0.856
45 HZ3 TRP 4 HZ3 TRP 4 6.967 -2.817 -1.373
46 HH2 TRP 4 HH2 TRP 4 9.290 -2.066 -0.912
47 H ARG 5 H ARG 5 3.063 0.599 -0.107
48 HA ARG 5 HA ARG 5 3.406 3.300 -1.323
49 1HB ARG 5 HB2 ARG 5 4.786 0.665 -1.963
50 2HB ARG 5 HB3 ARG 5 4.865 2.097 -2.997
51 1HG ARG 5 HG2 ARG 5 5.948 3.399 -1.248
52 2HG ARG 5 HG3 ARG 5 5.834 2.042 -0.109
53 1HD ARG 5 HD2 ARG 5 7.213 0.644 -1.576
54 2HD ARG 5 HD3 ARG 5 7.316 1.956 -2.764
55 HE ARG 5 HE ARG 5 8.201 2.927 -0.245
56 1HH1 ARG 5 2HH1 ARG 5 9.287 0.687 -2.791
57 2HH1 ARG 5 1HH1 ARG 5 10.981 0.911 -2.417
58 1HH2 ARG 5 1HH2 ARG 5 10.406 3.190 0.213
59 2HH2 ARG 5 2HH2 ARG 5 11.613 2.328 -0.714
60 H PHE 6 H PHE 6 1.005 1.423 -0.868
61 HA PHE 6 HA PHE 6 -0.045 1.294 -3.608
62 1HB PHE 6 HB2 PHE 6 -0.103 -1.084 -1.711
63 2HB PHE 6 HB3 PHE 6 -0.750 -1.031 -3.336
64 HD1 PHE 6 HD1 PHE 6 2.418 -1.238 -1.401
65 HD2 PHE 6 HD2 PHE 6 0.610 -1.248 -5.320
66 HE1 PHE 6 HE1 PHE 6 4.531 -2.086 -2.386
67 HE2 PHE 6 HE2 PHE 6 2.727 -2.087 -6.290
68 HZ PHE 6 HZ PHE 6 4.692 -2.507 -4.826
Start of MODEL 9
1 H ARG 1 H ARG 1 -2.400 0.359 -2.777
2 HA ARG 1 HA ARG 1 -3.493 2.772 -2.322
3 1HB ARG 1 HB2 ARG 1 -4.542 0.714 -3.357
4 2HB ARG 1 HB3 ARG 1 -4.920 0.151 -1.730
5 1HG ARG 1 HG2 ARG 1 -6.121 2.474 -1.439
6 2HG ARG 1 HG3 ARG 1 -5.926 2.622 -3.188
7 1HD ARG 1 HD2 ARG 1 -8.024 1.679 -3.104
8 2HD ARG 1 HD3 ARG 1 -7.054 0.215 -3.223
9 HE ARG 1 HE ARG 1 -7.390 -0.214 -0.895
10 1HH1 ARG 1 1HH1 ARG 1 -9.269 2.614 -1.999
11 2HH1 ARG 1 2HH1 ARG 1 -10.312 2.595 -0.596
12 1HH2 ARG 1 2HH2 ARG 1 -8.772 -0.185 0.910
13 2HH2 ARG 1 1HH2 ARG 1 -10.031 1.023 1.035
14 H ARG 2 H ARG 2 -4.079 0.201 0.049
15 HA ARG 2 HA ARG 2 -4.724 2.185 2.069
16 1HB ARG 2 HB2 ARG 2 -5.748 0.371 3.248
17 2HB ARG 2 HB3 ARG 2 -6.230 0.387 1.554
18 1HG ARG 2 HG2 ARG 2 -4.585 -1.472 1.098
19 2HG ARG 2 HG3 ARG 2 -4.169 -1.454 2.817
20 1HD ARG 2 HD2 ARG 2 -5.713 -3.256 2.440
21 2HD ARG 2 HD3 ARG 2 -6.539 -2.000 3.380
22 HE ARG 2 HE ARG 2 -6.999 -1.557 0.603
23 1HH1 ARG 2 1HH2 ARG 2 -7.955 -3.854 3.155
24 2HH1 ARG 2 2HH2 ARG 2 -9.467 -4.254 2.373
25 1HH2 ARG 2 1HH1 ARG 2 -8.968 -2.108 -0.377
26 2HH2 ARG 2 2HH1 ARG 2 -10.038 -3.267 0.376
27 H TRP 3 H TRP 3 -1.754 0.620 1.372
28 HA TRP 3 HA TRP 3 -0.638 1.693 3.718
29 1HB TRP 3 HB2 TRP 3 0.608 -0.781 3.929
30 2HB TRP 3 HB3 TRP 3 -0.499 -0.046 5.052
31 HD1 TRP 3 HD1 TRP 3 -2.280 -1.564 5.860
32 HE1 TRP 3 HE1 TRP 3 -3.493 -3.652 5.075
33 HE3 TRP 3 HE3 TRP 3 -0.189 -2.008 1.190
34 HZ2 TRP 3 HZ2 TRP 3 -3.599 -5.304 2.698
35 HZ3 TRP 3 HZ3 TRP 3 -0.888 -3.836 -0.309
36 HH2 TRP 3 HH2 TRP 3 -2.591 -5.489 0.426
37 H TRP 4 H TRP 4 1.401 1.983 3.549
38 HA TRP 4 HA TRP 4 3.337 2.655 2.644
39 1HB TRP 4 HB2 TRP 4 3.605 0.329 3.511
40 2HB TRP 4 HB3 TRP 4 3.505 -0.272 1.868
41 HD1 TRP 4 HD1 TRP 4 5.564 2.655 3.384
42 HE1 TRP 4 HE1 TRP 4 8.031 2.318 2.903
43 HE3 TRP 4 HE3 TRP 4 5.310 -1.855 0.912
44 HZ2 TRP 4 HZ2 TRP 4 9.721 0.326 1.654
45 HZ3 TRP 4 HZ3 TRP 4 7.369 -2.932 0.112
46 HH2 TRP 4 HH2 TRP 4 9.582 -1.866 0.476
47 H ARG 5 H ARG 5 4.010 0.581 0.104
48 HA ARG 5 HA ARG 5 4.026 2.723 -1.820
49 1HB ARG 5 HB2 ARG 5 4.808 -0.216 -1.880
50 2HB ARG 5 HB3 ARG 5 4.982 0.848 -3.282
51 1HG ARG 5 HG2 ARG 5 6.432 2.372 -2.028
52 2HG ARG 5 HG3 ARG 5 6.282 1.365 -0.580
53 1HD ARG 5 HD2 ARG 5 7.310 -0.536 -1.784
54 2HD ARG 5 HD3 ARG 5 7.451 0.452 -3.242
55 HE ARG 5 HE ARG 5 8.889 0.876 -0.657
56 1HH1 ARG 5 1HH2 ARG 5 8.769 1.502 -4.172
57 2HH1 ARG 5 2HH2 ARG 5 10.329 2.294 -4.174
58 1HH2 ARG 5 1HH1 ARG 5 10.881 1.909 -0.719
59 2HH2 ARG 5 2HH1 ARG 5 11.518 2.522 -2.228
60 H PHE 6 H PHE 6 1.334 1.224 -0.884
61 HA PHE 6 HA PHE 6 0.096 1.202 -3.553
62 1HB PHE 6 HB2 PHE 6 -0.529 -1.006 -1.605
63 2HB PHE 6 HB3 PHE 6 -0.927 -0.919 -3.311
64 HD1 PHE 6 HD1 PHE 6 0.999 -0.977 -5.049
65 HD2 PHE 6 HD2 PHE 6 1.495 -2.170 -0.931
66 HE1 PHE 6 HE1 PHE 6 3.101 -2.149 -5.639
67 HE2 PHE 6 HE2 PHE 6 3.593 -3.347 -1.533
68 HZ PHE 6 HZ PHE 6 4.406 -3.328 -3.882
Start of MODEL 10
1 H ARG 1 H ARG 1 -2.291 -0.374 -2.621
2 HA ARG 1 HA ARG 1 -4.335 1.281 -2.926
3 1HB ARG 1 HB2 ARG 1 -4.353 -1.210 -2.676
4 2HB ARG 1 HB3 ARG 1 -4.139 -1.023 -0.945
5 1HG ARG 1 HG2 ARG 1 -6.372 -1.325 -0.934
6 2HG ARG 1 HG3 ARG 1 -6.417 0.416 -1.164
7 1HD ARG 1 HD2 ARG 1 -6.626 -1.722 -3.330
8 2HD ARG 1 HD3 ARG 1 -7.967 -0.773 -2.668
9 HE ARG 1 HE ARG 1 -6.118 1.086 -3.625
10 1HH1 ARG 1 1HH1 ARG 1 -8.091 -1.529 -5.028
11 2HH1 ARG 1 2HH1 ARG 1 -8.183 -0.765 -6.598
12 1HH2 ARG 1 1HH2 ARG 1 -6.260 2.044 -5.683
13 2HH2 ARG 1 2HH2 ARG 1 -7.148 1.254 -6.967
14 H ARG 2 H ARG 2 -2.983 0.534 0.218
15 HA ARG 2 HA ARG 2 -3.610 3.174 1.285
16 1HB ARG 2 HB2 ARG 2 -5.060 2.560 3.088
17 2HB ARG 2 HB3 ARG 2 -5.752 1.978 1.578
18 1HG ARG 2 HG2 ARG 2 -4.737 -0.329 2.153
19 2HG ARG 2 HG3 ARG 2 -4.380 0.356 3.755
20 1HD ARG 2 HD2 ARG 2 -6.842 0.982 3.918
21 2HD ARG 2 HD3 ARG 2 -7.101 0.061 2.427
22 HE ARG 2 HE ARG 2 -5.827 -1.227 4.792
23 1HH1 ARG 2 1HH1 ARG 2 -8.651 -1.099 2.609
24 2HH1 ARG 2 2HH1 ARG 2 -9.367 -2.537 3.301
25 1HH2 ARG 2 1HH2 ARG 2 -6.804 -3.063 5.657
26 2HH2 ARG 2 2HH2 ARG 2 -8.324 -3.645 5.018
27 H TRP 3 H TRP 3 -2.006 0.005 2.013
28 HA TRP 3 HA TRP 3 -0.606 0.924 4.276
29 1HB TRP 3 HB2 TRP 3 0.006 -1.359 2.390
30 2HB TRP 3 HB3 TRP 3 0.498 -1.196 4.080
31 HD1 TRP 3 HD1 TRP 3 -2.277 -0.514 5.406
32 HE1 TRP 3 HE1 TRP 3 -4.080 -2.292 5.618
33 HE3 TRP 3 HE3 TRP 3 -0.665 -3.705 1.745
34 HZ2 TRP 3 HZ2 TRP 3 -4.756 -4.822 4.360
35 HZ3 TRP 3 HZ3 TRP 3 -1.903 -5.806 1.288
36 HH2 TRP 3 HH2 TRP 3 -3.942 -6.373 2.587
37 H TRP 4 H TRP 4 1.878 -0.315 2.956
38 HA TRP 4 HA TRP 4 3.550 1.733 3.220
39 1HB TRP 4 HB2 TRP 4 4.122 -0.649 3.088
40 2HB TRP 4 HB3 TRP 4 3.926 -0.620 1.345
41 HD1 TRP 4 HD1 TRP 4 5.948 1.653 3.764
42 HE1 TRP 4 HE1 TRP 4 8.353 1.823 2.960
43 HE3 TRP 4 HE3 TRP 4 5.631 -1.382 -0.350
44 HZ2 TRP 4 HZ2 TRP 4 9.977 0.744 0.810
45 HZ3 TRP 4 HZ3 TRP 4 7.626 -1.798 -1.751
46 HH2 TRP 4 HH2 TRP 4 9.804 -0.746 -1.181
47 H ARG 5 H ARG 5 2.918 0.602 -0.154
48 HA ARG 5 HA ARG 5 3.131 3.380 -1.176
49 1HB ARG 5 HB2 ARG 5 4.875 1.010 -1.975
50 2HB ARG 5 HB3 ARG 5 4.730 2.493 -2.927
51 1HG ARG 5 HG2 ARG 5 5.586 3.838 -1.048
52 2HG ARG 5 HG3 ARG 5 5.814 2.361 -0.092
53 1HD ARG 5 HD2 ARG 5 7.336 1.467 -1.826
54 2HD ARG 5 HD3 ARG 5 7.121 2.930 -2.787
55 HE ARG 5 HE ARG 5 8.630 2.620 -0.263
56 1HH1 ARG 5 1HH1 ARG 5 7.541 4.884 -2.796
57 2HH1 ARG 5 2HH1 ARG 5 8.723 6.096 -2.357
58 1HH2 ARG 5 1HH2 ARG 5 10.139 4.214 0.261
59 2HH2 ARG 5 2HH2 ARG 5 10.188 5.718 -0.632
60 H PHE 6 H PHE 6 0.791 1.637 -0.882
61 HA PHE 6 HA PHE 6 0.034 1.174 -3.693
62 1HB PHE 6 HB2 PHE 6 -0.320 -0.983 -1.576
63 2HB PHE 6 HB3 PHE 6 -0.647 -1.113 -3.300
64 HD1 PHE 6 HD1 PHE 6 1.723 -1.831 -0.743
65 HD2 PHE 6 HD2 PHE 6 1.429 -0.770 -4.917
66 HE1 PHE 6 HE1 PHE 6 3.982 -2.753 -1.141
67 HE2 PHE 6 HE2 PHE 6 3.711 -1.662 -5.297
68 HZ PHE 6 HZ PHE 6 4.993 -2.651 -3.411
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