Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
624094 | 6f27 RC | 34203 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 8.532 2.811 3.598
2 H2 LYS 1 HT2 LYS 1 7.657 4.240 3.855
3 H3 LYS 1 HT3 LYS 1 9.183 4.303 3.123
4 HA LYS 1 HA LYS 1 7.367 4.576 1.518
5 HB2 LYS 1 HB2 LYS 1 8.902 1.985 1.205
6 HB3 LYS 1 HB1 LYS 1 8.168 2.925 -0.092
7 HG2 LYS 1 HG2 LYS 1 9.684 4.776 0.375
8 HG3 LYS 1 HG1 LYS 1 10.414 3.850 1.690
9 HD2 LYS 1 HD2 LYS 1 11.070 2.116 0.063
10 HD3 LYS 1 HD1 LYS 1 10.418 3.121 -1.235
11 HE2 LYS 1 HE2 LYS 1 11.999 4.907 -0.616
12 HE3 LYS 1 HE1 LYS 1 12.668 3.858 0.634
13 HZ1 LYS 1 HZ1 LYS 1 13.259 2.267 -1.137
14 HZ2 LYS 1 HZ2 LYS 1 14.048 3.757 -1.301
15 HZ3 LYS 1 HZ3 LYS 1 12.730 3.382 -2.303
16 H ARG 2 HN ARG 2 5.992 2.981 0.040
17 HA ARG 2 HA ARG 2 4.050 1.823 1.857
18 HB2 ARG 2 HB2 ARG 2 3.229 3.263 0.069
19 HB3 ARG 2 HB1 ARG 2 3.972 2.224 -1.137
20 HG2 ARG 2 HG2 ARG 2 2.462 0.442 -0.630
21 HG3 ARG 2 HG1 ARG 2 1.807 1.323 0.749
22 HD2 ARG 2 HD2 ARG 2 1.641 2.254 -2.114
23 HD3 ARG 2 HD1 ARG 2 0.355 1.394 -1.267
24 HE ARG 2 HE ARG 2 0.386 3.323 0.340
25 HH11 ARG 2 HH11 ARG 2 1.456 3.712 -2.968
26 HH12 ARG 2 HH12 ARG 2 1.086 5.404 -3.034
27 HH21 ARG 2 HH21 ARG 2 -0.137 5.524 0.274
28 HH22 ARG 2 HH22 ARG 2 0.152 6.438 -1.171
29 HA PRO 3 HA PRO 3 5.823 -2.233 1.389
30 HB2 PRO 3 HB2 PRO 3 3.724 -3.554 2.582
31 HB3 PRO 3 HB1 PRO 3 5.040 -2.772 3.464
32 HG2 PRO 3 HG2 PRO 3 2.284 -1.768 2.894
33 HG3 PRO 3 HG1 PRO 3 3.253 -1.615 4.372
34 HD2 PRO 3 HD2 PRO 3 2.973 0.415 2.628
35 HD3 PRO 3 HD1 PRO 3 4.475 0.151 3.537
36 HA PRO 4 HA PRO 4 3.827 -3.421 -2.406
37 HB2 PRO 4 HB2 PRO 4 5.398 -5.891 -2.199
38 HB3 PRO 4 HB1 PRO 4 5.473 -4.607 -3.410
39 HG2 PRO 4 HG2 PRO 4 7.429 -4.977 -1.591
40 HG3 PRO 4 HG1 PRO 4 7.002 -3.375 -2.209
41 HD2 PRO 4 HD2 PRO 4 6.272 -4.663 0.390
42 HD3 PRO 4 HD1 PRO 4 6.737 -2.980 0.058
43 H GLY 5 HN GLY 5 1.907 -4.320 -2.679
44 HA2 GLY 5 HA2 GLY 5 0.547 -6.312 -2.769
45 HA3 GLY 5 HA1 GLY 5 1.304 -6.839 -1.272
46 H PHE 6 HN PHE 6 0.762 -3.624 -0.921
47 HA PHE 6 HA PHE 6 -1.867 -4.096 0.284
48 HB2 PHE 6 HB2 PHE 6 0.382 -2.277 1.121
49 HB3 PHE 6 HB1 PHE 6 -1.258 -2.104 1.747
50 HD1 PHE 6 HD1 PHE 6 1.855 -3.543 2.358
51 HD2 PHE 6 HD2 PHE 6 -2.303 -4.395 2.597
52 HE1 PHE 6 HE1 PHE 6 2.318 -5.279 4.038
53 HE2 PHE 6 HE2 PHE 6 -1.854 -6.127 4.288
54 HZ PHE 6 HZ PHE 6 0.455 -6.575 5.010
55 H SER 7 HN SER 7 -3.436 -2.436 0.141
56 HA SER 7 HA SER 7 -3.772 -1.338 -2.376
57 HB2 SER 7 HB2 SER 7 -5.056 -0.356 0.169
58 HB3 SER 7 HB1 SER 7 -5.710 -0.245 -1.463
59 HG SER 7 HG SER 7 -6.603 -1.991 -0.240
60 HA PRO 8 HA PRO 8 -1.375 2.411 -1.989
61 HB2 PRO 8 HB2 PRO 8 -2.162 3.205 -4.612
62 HB3 PRO 8 HB1 PRO 8 -0.664 2.403 -4.145
63 HG2 PRO 8 HG2 PRO 8 -2.646 1.279 -5.726
64 HG3 PRO 8 HG1 PRO 8 -1.408 0.365 -4.842
65 HD2 PRO 8 HD2 PRO 8 -4.242 0.947 -4.071
66 HD3 PRO 8 HD1 PRO 8 -3.311 -0.551 -3.873
67 H PHE 9 HN PHE 9 -2.142 4.011 -0.874
68 HA PHE 9 HA PHE 9 -4.635 5.333 -1.689
69 HB2 PHE 9 HB2 PHE 9 -3.353 5.022 1.025
70 HB3 PHE 9 HB1 PHE 9 -4.626 6.202 0.706
71 HD1 PHE 9 HD1 PHE 9 -6.716 5.248 -0.516
72 HD2 PHE 9 HD2 PHE 9 -3.965 2.939 1.754
73 HE1 PHE 9 HE1 PHE 9 -8.426 3.527 -0.213
74 HE2 PHE 9 HE2 PHE 9 -5.682 1.208 2.079
75 HZ PHE 9 HZ PHE 9 -7.920 1.496 1.097
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 7.808 4.375 3.422
2 H2 LYS 1 HT2 LYS 1 6.660 5.250 2.532
3 H3 LYS 1 HT3 LYS 1 8.318 5.502 2.267
4 HA LYS 1 HA LYS 1 7.454 4.190 0.491
5 HB2 LYS 1 HB2 LYS 1 8.954 2.400 2.403
6 HB3 LYS 1 HB1 LYS 1 8.877 2.236 0.659
7 HG2 LYS 1 HG2 LYS 1 10.123 4.343 0.425
8 HG3 LYS 1 HG1 LYS 1 10.228 4.453 2.185
9 HD2 LYS 1 HD2 LYS 1 11.392 2.267 2.212
10 HD3 LYS 1 HD1 LYS 1 11.362 2.255 0.450
11 HE2 LYS 1 HE2 LYS 1 12.725 4.313 2.184
12 HE3 LYS 1 HE1 LYS 1 13.524 2.987 1.340
13 HZ1 LYS 1 HZ1 LYS 1 12.196 5.358 0.178
14 HZ2 LYS 1 HZ2 LYS 1 12.543 3.983 -0.745
15 HZ3 LYS 1 HZ3 LYS 1 13.802 4.853 -0.015
16 H ARG 2 HN ARG 2 5.578 3.204 -0.034
17 HA ARG 2 HA ARG 2 4.047 1.785 1.927
18 HB2 ARG 2 HB2 ARG 2 2.407 1.446 0.198
19 HB3 ARG 2 HB1 ARG 2 3.009 3.093 0.074
20 HG2 ARG 2 HG2 ARG 2 4.362 2.515 -1.822
21 HG3 ARG 2 HG1 ARG 2 3.960 0.806 -1.637
22 HD2 ARG 2 HD2 ARG 2 2.038 3.031 -2.303
23 HD3 ARG 2 HD1 ARG 2 2.655 1.819 -3.425
24 HE ARG 2 HE ARG 2 1.419 0.533 -1.235
25 HH11 ARG 2 HH11 ARG 2 0.664 2.302 -4.158
26 HH12 ARG 2 HH12 ARG 2 -0.962 1.687 -4.259
27 HH21 ARG 2 HH21 ARG 2 -0.710 -0.295 -1.378
28 HH22 ARG 2 HH22 ARG 2 -1.744 0.208 -2.681
29 HA PRO 3 HA PRO 3 5.910 -2.182 1.337
30 HB2 PRO 3 HB2 PRO 3 3.460 -3.327 2.484
31 HB3 PRO 3 HB1 PRO 3 5.102 -3.321 3.132
32 HG2 PRO 3 HG2 PRO 3 3.128 -1.843 4.223
33 HG3 PRO 3 HG1 PRO 3 4.818 -1.308 4.208
34 HD2 PRO 3 HD2 PRO 3 2.552 -0.475 2.432
35 HD3 PRO 3 HD1 PRO 3 3.834 0.514 3.166
36 HA PRO 4 HA PRO 4 4.254 -3.724 -2.463
37 HB2 PRO 4 HB2 PRO 4 5.005 -6.373 -2.207
38 HB3 PRO 4 HB1 PRO 4 6.065 -5.071 -2.757
39 HG2 PRO 4 HG2 PRO 4 5.822 -6.295 -0.038
40 HG3 PRO 4 HG1 PRO 4 7.281 -5.797 -0.915
41 HD2 PRO 4 HD2 PRO 4 6.244 -4.298 1.048
42 HD3 PRO 4 HD1 PRO 4 6.980 -3.558 -0.389
43 H GLY 5 HN GLY 5 2.116 -3.875 -2.668
44 HA2 GLY 5 HA2 GLY 5 0.116 -5.072 -2.797
45 HA3 GLY 5 HA1 GLY 5 0.788 -6.263 -1.692
46 H PHE 6 HN PHE 6 1.466 -3.527 -0.169
47 HA PHE 6 HA PHE 6 -1.047 -3.600 1.335
48 HB2 PHE 6 HB2 PHE 6 1.763 -2.951 2.195
49 HB3 PHE 6 HB1 PHE 6 0.361 -2.552 3.182
50 HD1 PHE 6 HD1 PHE 6 2.823 -4.944 2.633
51 HD2 PHE 6 HD2 PHE 6 -1.327 -4.555 3.475
52 HE1 PHE 6 HE1 PHE 6 2.806 -7.215 3.585
53 HE2 PHE 6 HE2 PHE 6 -1.351 -6.817 4.438
54 HZ PHE 6 HZ PHE 6 0.715 -8.155 4.492
55 H SER 7 HN SER 7 -2.025 -1.720 1.967
56 HA SER 7 HA SER 7 -1.133 0.731 0.603
57 HB2 SER 7 HB2 SER 7 -4.003 -0.058 1.166
58 HB3 SER 7 HB1 SER 7 -3.433 1.265 0.150
59 HG SER 7 HG SER 7 -3.406 -1.510 -0.342
60 HA PRO 8 HA PRO 8 -1.488 2.509 4.680
61 HB2 PRO 8 HB2 PRO 8 -1.639 5.171 3.563
62 HB3 PRO 8 HB1 PRO 8 -0.240 4.378 4.297
63 HG2 PRO 8 HG2 PRO 8 -0.416 5.020 1.637
64 HG3 PRO 8 HG1 PRO 8 0.590 3.706 2.274
65 HD2 PRO 8 HD2 PRO 8 -2.136 3.573 1.041
66 HD3 PRO 8 HD1 PRO 8 -0.737 2.509 0.781
67 H PHE 9 HN PHE 9 -3.293 2.455 5.751
68 HA PHE 9 HA PHE 9 -5.774 3.444 4.600
69 HB2 PHE 9 HB2 PHE 9 -5.201 1.783 7.060
70 HB3 PHE 9 HB1 PHE 9 -6.813 2.314 6.583
71 HD1 PHE 9 HD1 PHE 9 -7.093 1.912 3.877
72 HD2 PHE 9 HD2 PHE 9 -4.839 -0.451 6.599
73 HE1 PHE 9 HE1 PHE 9 -7.315 -0.007 2.379
74 HE2 PHE 9 HE2 PHE 9 -5.056 -2.388 5.096
75 HZ PHE 9 HZ PHE 9 -6.295 -2.172 2.976
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 7.690 3.011 4.290
2 H2 LYS 1 HT2 LYS 1 6.643 4.337 4.335
3 H3 LYS 1 HT3 LYS 1 8.274 4.570 3.979
4 HA LYS 1 HA LYS 1 6.914 4.717 2.000
5 HB2 LYS 1 HB2 LYS 1 8.684 2.268 2.158
6 HB3 LYS 1 HB1 LYS 1 8.104 2.982 0.660
7 HG2 LYS 1 HG2 LYS 1 9.285 5.055 1.189
8 HG3 LYS 1 HG1 LYS 1 9.860 4.333 2.691
9 HD2 LYS 1 HD2 LYS 1 11.054 2.632 1.436
10 HD3 LYS 1 HD1 LYS 1 10.451 3.301 -0.076
11 HE2 LYS 1 HE2 LYS 1 12.234 4.715 1.894
12 HE3 LYS 1 HE1 LYS 1 12.752 3.999 0.372
13 HZ1 LYS 1 HZ1 LYS 1 11.193 5.552 -0.752
14 HZ2 LYS 1 HZ2 LYS 1 12.481 6.322 0.046
15 HZ3 LYS 1 HZ3 LYS 1 10.940 6.322 0.739
16 H ARG 2 HN ARG 2 6.037 3.013 0.256
17 HA ARG 2 HA ARG 2 3.760 1.774 1.598
18 HB2 ARG 2 HB2 ARG 2 3.354 3.175 -0.383
19 HB3 ARG 2 HB1 ARG 2 4.382 2.118 -1.345
20 HG2 ARG 2 HG2 ARG 2 2.810 0.250 -0.856
21 HG3 ARG 2 HG1 ARG 2 1.738 1.421 -0.086
22 HD2 ARG 2 HD2 ARG 2 1.631 2.685 -2.190
23 HD3 ARG 2 HD1 ARG 2 2.677 1.485 -2.946
24 HE ARG 2 HE ARG 2 0.475 0.126 -1.893
25 HH11 ARG 2 HH11 ARG 2 1.213 2.485 -4.348
26 HH12 ARG 2 HH12 ARG 2 -0.144 2.086 -5.362
27 HH21 ARG 2 HH21 ARG 2 -1.314 -0.478 -3.226
28 HH22 ARG 2 HH22 ARG 2 -1.582 0.372 -4.724
29 HA PRO 3 HA PRO 3 5.889 -2.189 1.328
30 HB2 PRO 3 HB2 PRO 3 3.453 -3.231 2.576
31 HB3 PRO 3 HB1 PRO 3 5.108 -3.207 3.194
32 HG2 PRO 3 HG2 PRO 3 3.158 -1.642 4.238
33 HG3 PRO 3 HG1 PRO 3 4.856 -1.138 4.172
34 HD2 PRO 3 HD2 PRO 3 2.581 -0.375 2.381
35 HD3 PRO 3 HD1 PRO 3 3.875 0.637 3.063
36 HA PRO 4 HA PRO 4 4.104 -3.606 -2.466
37 HB2 PRO 4 HB2 PRO 4 5.304 -6.205 -1.703
38 HB3 PRO 4 HB1 PRO 4 5.546 -5.238 -3.162
39 HG2 PRO 4 HG2 PRO 4 7.422 -5.376 -1.278
40 HG3 PRO 4 HG1 PRO 4 7.108 -3.863 -2.147
41 HD2 PRO 4 HD2 PRO 4 6.303 -4.669 0.615
42 HD3 PRO 4 HD1 PRO 4 6.841 -3.087 0.012
43 H GLY 5 HN GLY 5 2.002 -4.007 -2.613
44 HA2 GLY 5 HA2 GLY 5 0.255 -5.630 -2.785
45 HA3 GLY 5 HA1 GLY 5 0.956 -6.497 -1.428
46 H PHE 6 HN PHE 6 1.064 -3.359 -0.533
47 HA PHE 6 HA PHE 6 -1.535 -3.595 0.808
48 HB2 PHE 6 HB2 PHE 6 1.022 -2.308 1.749
49 HB3 PHE 6 HB1 PHE 6 -0.525 -2.121 2.578
50 HD1 PHE 6 HD1 PHE 6 2.437 -3.945 2.505
51 HD2 PHE 6 HD2 PHE 6 -1.756 -4.440 3.023
52 HE1 PHE 6 HE1 PHE 6 2.840 -6.060 3.700
53 HE2 PHE 6 HE2 PHE 6 -1.361 -6.558 4.224
54 HZ PHE 6 HZ PHE 6 0.943 -7.371 4.558
55 H SER 7 HN SER 7 -2.921 -1.906 0.870
56 HA SER 7 HA SER 7 -2.648 0.047 -1.217
57 HB2 SER 7 HB2 SER 7 -4.865 -0.159 0.821
58 HB3 SER 7 HB1 SER 7 -4.936 0.541 -0.792
59 HG SER 7 HG SER 7 -4.377 -1.663 -1.530
60 HA PRO 8 HA PRO 8 -1.371 3.369 1.428
61 HB2 PRO 8 HB2 PRO 8 -2.222 5.370 -0.394
62 HB3 PRO 8 HB1 PRO 8 -0.614 4.650 -0.288
63 HG2 PRO 8 HG2 PRO 8 -2.381 4.360 -2.418
64 HG3 PRO 8 HG1 PRO 8 -0.986 3.318 -2.094
65 HD2 PRO 8 HD2 PRO 8 -3.867 2.890 -1.444
66 HD3 PRO 8 HD1 PRO 8 -2.652 1.715 -1.989
67 H PHE 9 HN PHE 9 -2.470 3.931 3.135
68 HA PHE 9 HA PHE 9 -5.257 4.725 2.947
69 HB2 PHE 9 HB2 PHE 9 -3.500 4.137 5.336
70 HB3 PHE 9 HB1 PHE 9 -5.190 4.627 5.444
71 HD1 PHE 9 HD1 PHE 9 -6.684 3.177 3.636
72 HD2 PHE 9 HD2 PHE 9 -3.163 1.935 5.667
73 HE1 PHE 9 HE1 PHE 9 -7.374 0.829 3.391
74 HE2 PHE 9 HE2 PHE 9 -3.849 -0.400 5.443
75 HZ PHE 9 HZ PHE 9 -5.993 -0.946 4.200
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 8.682 4.265 2.526
2 H2 LYS 1 HT2 LYS 1 7.330 5.237 2.221
3 H3 LYS 1 HT3 LYS 1 8.774 5.499 1.363
4 HA LYS 1 HA LYS 1 7.251 4.379 -0.061
5 HB2 LYS 1 HB2 LYS 1 9.669 3.730 -0.104
6 HB3 LYS 1 HB1 LYS 1 9.290 2.396 0.975
7 HG2 LYS 1 HG2 LYS 1 7.740 1.506 -0.743
8 HG3 LYS 1 HG1 LYS 1 8.264 2.793 -1.828
9 HD2 LYS 1 HD2 LYS 1 10.001 0.617 -0.659
10 HD3 LYS 1 HD1 LYS 1 9.444 0.737 -2.326
11 HE2 LYS 1 HE2 LYS 1 10.666 2.864 -2.550
12 HE3 LYS 1 HE1 LYS 1 11.280 2.661 -0.911
13 HZ1 LYS 1 HZ1 LYS 1 12.945 1.872 -2.374
14 HZ2 LYS 1 HZ2 LYS 1 11.834 0.956 -3.270
15 HZ3 LYS 1 HZ3 LYS 1 12.229 0.493 -1.689
16 H ARG 2 HN ARG 2 5.566 2.996 -0.334
17 HA ARG 2 HA ARG 2 4.422 1.862 2.075
18 HB2 ARG 2 HB2 ARG 2 3.406 1.983 -0.765
19 HB3 ARG 2 HB1 ARG 2 2.490 1.369 0.602
20 HG2 ARG 2 HG2 ARG 2 2.617 3.583 1.663
21 HG3 ARG 2 HG1 ARG 2 3.465 4.190 0.239
22 HD2 ARG 2 HD2 ARG 2 1.084 4.735 0.145
23 HD3 ARG 2 HD1 ARG 2 1.545 3.640 -1.159
24 HE ARG 2 HE ARG 2 0.036 2.884 1.255
25 HH11 ARG 2 HH11 ARG 2 1.061 2.255 -2.043
26 HH12 ARG 2 HH12 ARG 2 0.010 0.881 -2.231
27 HH21 ARG 2 HH21 ARG 2 -1.297 1.063 1.018
28 HH22 ARG 2 HH22 ARG 2 -1.280 0.170 -0.479
29 HA PRO 3 HA PRO 3 5.819 -2.267 1.419
30 HB2 PRO 3 HB2 PRO 3 3.782 -3.621 2.634
31 HB3 PRO 3 HB1 PRO 3 5.061 -2.779 3.515
32 HG2 PRO 3 HG2 PRO 3 2.275 -1.875 2.914
33 HG3 PRO 3 HG1 PRO 3 3.215 -1.700 4.408
34 HD2 PRO 3 HD2 PRO 3 2.913 0.328 2.656
35 HD3 PRO 3 HD1 PRO 3 4.389 0.113 3.613
36 HA PRO 4 HA PRO 4 3.807 -3.363 -2.390
37 HB2 PRO 4 HB2 PRO 4 5.125 -5.731 -2.767
38 HB3 PRO 4 HB1 PRO 4 5.807 -4.147 -3.146
39 HG2 PRO 4 HG2 PRO 4 6.234 -5.865 -0.734
40 HG3 PRO 4 HG1 PRO 4 7.410 -4.912 -1.657
41 HD2 PRO 4 HD2 PRO 4 6.403 -4.042 0.683
42 HD3 PRO 4 HD1 PRO 4 6.801 -2.929 -0.641
43 H GLY 5 HN GLY 5 2.037 -4.459 -2.921
44 HA2 GLY 5 HA2 GLY 5 0.630 -6.347 -2.976
45 HA3 GLY 5 HA1 GLY 5 1.351 -6.910 -1.479
46 H PHE 6 HN PHE 6 0.999 -4.051 -0.493
47 HA PHE 6 HA PHE 6 -1.686 -4.499 0.533
48 HB2 PHE 6 HB2 PHE 6 0.539 -2.655 1.394
49 HB3 PHE 6 HB1 PHE 6 -1.080 -2.597 2.092
50 HD1 PHE 6 HD1 PHE 6 2.112 -3.898 2.471
51 HD2 PHE 6 HD2 PHE 6 -1.978 -4.994 2.874
52 HE1 PHE 6 HE1 PHE 6 2.750 -5.691 4.036
53 HE2 PHE 6 HE2 PHE 6 -1.350 -6.785 4.439
54 HZ PHE 6 HZ PHE 6 0.963 -7.156 5.027
55 H SER 7 HN SER 7 -3.292 -3.651 -0.532
56 HA SER 7 HA SER 7 -2.932 -1.075 -1.901
57 HB2 SER 7 HB2 SER 7 -4.952 -3.230 -2.569
58 HB3 SER 7 HB1 SER 7 -4.558 -1.799 -3.527
59 HG SER 7 HG SER 7 -2.670 -3.819 -2.899
60 HA PRO 8 HA PRO 8 -6.176 0.361 0.770
61 HB2 PRO 8 HB2 PRO 8 -6.849 2.522 -0.972
62 HB3 PRO 8 HB1 PRO 8 -5.780 2.574 0.429
63 HG2 PRO 8 HG2 PRO 8 -4.972 2.932 -2.191
64 HG3 PRO 8 HG1 PRO 8 -3.910 2.451 -0.857
65 HD2 PRO 8 HD2 PRO 8 -5.229 0.748 -2.934
66 HD3 PRO 8 HD1 PRO 8 -3.585 0.635 -2.271
67 H PHE 9 HN PHE 9 -8.040 -0.620 0.859
68 HA PHE 9 HA PHE 9 -9.650 -1.017 -1.546
69 HB2 PHE 9 HB2 PHE 9 -9.788 -2.301 1.190
70 HB3 PHE 9 HB1 PHE 9 -10.910 -2.653 -0.121
71 HD1 PHE 9 HD1 PHE 9 -9.578 -3.047 -2.425
72 HD2 PHE 9 HD2 PHE 9 -8.136 -3.874 1.478
73 HE1 PHE 9 HE1 PHE 9 -8.016 -4.676 -3.366
74 HE2 PHE 9 HE2 PHE 9 -6.555 -5.524 0.554
75 HZ PHE 9 HZ PHE 9 -6.491 -5.929 -1.880
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 7.007 4.879 3.429
2 H2 LYS 1 HT2 LYS 1 8.678 4.972 3.165
3 H3 LYS 1 HT3 LYS 1 8.025 3.657 4.019
4 HA LYS 1 HA LYS 1 7.551 4.293 1.169
5 HB2 LYS 1 HB2 LYS 1 9.064 2.018 2.473
6 HB3 LYS 1 HB1 LYS 1 8.742 2.167 0.751
7 HG2 LYS 1 HG2 LYS 1 10.387 4.083 2.382
8 HG3 LYS 1 HG1 LYS 1 11.024 2.807 1.344
9 HD2 LYS 1 HD2 LYS 1 10.000 3.855 -0.599
10 HD3 LYS 1 HD1 LYS 1 9.315 5.116 0.430
11 HE2 LYS 1 HE2 LYS 1 12.251 4.564 0.037
12 HE3 LYS 1 HE1 LYS 1 11.345 5.879 -0.708
13 HZ1 LYS 1 HZ1 LYS 1 11.726 5.504 2.218
14 HZ2 LYS 1 HZ2 LYS 1 10.915 6.796 1.470
15 HZ3 LYS 1 HZ3 LYS 1 12.585 6.599 1.249
16 H ARG 2 HN ARG 2 5.977 3.136 0.172
17 HA ARG 2 HA ARG 2 4.060 1.847 1.912
18 HB2 ARG 2 HB2 ARG 2 3.993 2.245 -1.090
19 HB3 ARG 2 HB1 ARG 2 2.645 1.720 -0.091
20 HG2 ARG 2 HG2 ARG 2 2.690 3.862 1.083
21 HG3 ARG 2 HG1 ARG 2 4.023 4.392 0.056
22 HD2 ARG 2 HD2 ARG 2 2.557 4.061 -1.918
23 HD3 ARG 2 HD1 ARG 2 1.230 3.677 -0.818
24 HE ARG 2 HE ARG 2 2.581 6.252 -0.487
25 HH11 ARG 2 HH11 ARG 2 -0.220 4.475 -1.594
26 HH12 ARG 2 HH12 ARG 2 -1.269 5.865 -1.603
27 HH21 ARG 2 HH21 ARG 2 1.235 8.116 -0.617
28 HH22 ARG 2 HH22 ARG 2 -0.424 7.936 -1.094
29 HA PRO 3 HA PRO 3 5.865 -2.180 1.279
30 HB2 PRO 3 HB2 PRO 3 3.870 -3.570 2.531
31 HB3 PRO 3 HB1 PRO 3 5.178 -2.738 3.379
32 HG2 PRO 3 HG2 PRO 3 2.370 -1.841 2.880
33 HG3 PRO 3 HG1 PRO 3 3.357 -1.685 4.346
34 HD2 PRO 3 HD2 PRO 3 2.982 0.371 2.642
35 HD3 PRO 3 HD1 PRO 3 4.499 0.146 3.536
36 HA PRO 4 HA PRO 4 3.782 -3.471 -2.416
37 HB2 PRO 4 HB2 PRO 4 5.207 -6.017 -2.041
38 HB3 PRO 4 HB1 PRO 4 5.306 -4.856 -3.370
39 HG2 PRO 4 HG2 PRO 4 7.319 -5.140 -1.609
40 HG3 PRO 4 HG1 PRO 4 6.892 -3.565 -2.305
41 HD2 PRO 4 HD2 PRO 4 6.244 -4.678 0.401
42 HD3 PRO 4 HD1 PRO 4 6.753 -3.035 -0.055
43 H GLY 5 HN GLY 5 2.178 -4.936 -3.095
44 HA2 GLY 5 HA2 GLY 5 0.794 -6.852 -2.797
45 HA3 GLY 5 HA1 GLY 5 1.239 -6.882 -1.097
46 H PHE 6 HN PHE 6 0.697 -3.744 -1.743
47 HA PHE 6 HA PHE 6 -2.133 -3.945 -0.985
48 HB2 PHE 6 HB2 PHE 6 -0.055 -1.894 -0.204
49 HB3 PHE 6 HB1 PHE 6 -1.775 -1.714 0.123
50 HD1 PHE 6 HD1 PHE 6 1.261 -2.761 1.422
51 HD2 PHE 6 HD2 PHE 6 -2.856 -3.823 1.338
52 HE1 PHE 6 HE1 PHE 6 1.558 -4.040 3.508
53 HE2 PHE 6 HE2 PHE 6 -2.579 -5.094 3.428
54 HZ PHE 6 HZ PHE 6 -0.416 -5.271 4.482
55 H SER 7 HN SER 7 -3.617 -2.841 -2.156
56 HA SER 7 HA SER 7 -3.068 -1.927 -4.749
57 HB2 SER 7 HB2 SER 7 -5.410 -1.236 -2.948
58 HB3 SER 7 HB1 SER 7 -5.380 -1.076 -4.706
59 HG SER 7 HG SER 7 -4.644 -3.560 -4.068
60 HA PRO 8 HA PRO 8 -1.656 2.163 -4.085
61 HB2 PRO 8 HB2 PRO 8 -2.918 3.200 -6.464
62 HB3 PRO 8 HB1 PRO 8 -1.228 2.739 -6.232
63 HG2 PRO 8 HG2 PRO 8 -2.972 1.396 -7.858
64 HG3 PRO 8 HG1 PRO 8 -1.558 0.651 -7.095
65 HD2 PRO 8 HD2 PRO 8 -4.428 0.587 -6.233
66 HD3 PRO 8 HD1 PRO 8 -3.237 -0.731 -6.255
67 H PHE 9 HN PHE 9 -2.484 3.308 -2.578
68 HA PHE 9 HA PHE 9 -5.082 4.633 -2.964
69 HB2 PHE 9 HB2 PHE 9 -3.678 3.821 -0.406
70 HB3 PHE 9 HB1 PHE 9 -5.135 4.811 -0.460
71 HD1 PHE 9 HD1 PHE 9 -6.989 3.755 -2.057
72 HD2 PHE 9 HD2 PHE 9 -3.980 1.598 0.014
73 HE1 PHE 9 HE1 PHE 9 -8.372 1.747 -2.177
74 HE2 PHE 9 HE2 PHE 9 -5.367 -0.434 -0.077
75 HZ PHE 9 HZ PHE 9 -7.572 -0.365 -1.178
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 9.229 4.652 1.991
2 H2 LYS 1 HT2 LYS 1 8.681 3.223 2.720
3 H3 LYS 1 HT3 LYS 1 7.943 4.697 3.093
4 HA LYS 1 HA LYS 1 6.970 4.906 1.002
5 HB2 LYS 1 HB2 LYS 1 7.437 3.440 -0.855
6 HB3 LYS 1 HB1 LYS 1 8.955 4.097 -0.257
7 HG2 LYS 1 HG2 LYS 1 9.418 2.017 0.907
8 HG3 LYS 1 HG1 LYS 1 7.871 1.362 0.363
9 HD2 LYS 1 HD2 LYS 1 8.637 1.685 -1.985
10 HD3 LYS 1 HD1 LYS 1 10.219 2.148 -1.356
11 HE2 LYS 1 HE2 LYS 1 10.410 -0.028 -0.257
12 HE3 LYS 1 HE1 LYS 1 8.840 -0.495 -0.904
13 HZ1 LYS 1 HZ1 LYS 1 11.271 0.144 -2.484
14 HZ2 LYS 1 HZ2 LYS 1 9.754 -0.220 -3.143
15 HZ3 LYS 1 HZ3 LYS 1 10.596 -1.400 -2.267
16 H ARG 2 HN ARG 2 5.536 3.029 -0.202
17 HA ARG 2 HA ARG 2 4.148 1.772 2.027
18 HB2 ARG 2 HB2 ARG 2 3.355 1.968 -0.881
19 HB3 ARG 2 HB1 ARG 2 2.344 1.353 0.422
20 HG2 ARG 2 HG2 ARG 2 3.070 3.825 1.345
21 HG3 ARG 2 HG1 ARG 2 2.895 4.092 -0.392
22 HD2 ARG 2 HD2 ARG 2 0.828 2.776 1.365
23 HD3 ARG 2 HD1 ARG 2 0.816 4.475 0.906
24 HE ARG 2 HE ARG 2 0.920 2.806 -1.388
25 HH11 ARG 2 HH11 ARG 2 -1.216 3.945 1.121
26 HH12 ARG 2 HH12 ARG 2 -2.654 3.828 0.151
27 HH21 ARG 2 HH21 ARG 2 -0.982 2.643 -2.706
28 HH22 ARG 2 HH22 ARG 2 -2.518 3.083 -2.032
29 HA PRO 3 HA PRO 3 6.024 -2.163 1.289
30 HB2 PRO 3 HB2 PRO 3 4.066 -3.697 2.470
31 HB3 PRO 3 HB1 PRO 3 5.338 -2.854 3.358
32 HG2 PRO 3 HG2 PRO 3 2.503 -2.041 2.884
33 HG3 PRO 3 HG1 PRO 3 3.486 -1.892 4.352
34 HD2 PRO 3 HD2 PRO 3 3.042 0.213 2.734
35 HD3 PRO 3 HD1 PRO 3 4.585 -0.008 3.583
36 HA PRO 4 HA PRO 4 4.370 -3.872 -2.419
37 HB2 PRO 4 HB2 PRO 4 4.749 -6.535 -1.144
38 HB3 PRO 4 HB1 PRO 4 5.331 -5.941 -2.703
39 HG2 PRO 4 HG2 PRO 4 6.996 -6.180 -0.637
40 HG3 PRO 4 HG1 PRO 4 7.117 -4.805 -1.751
41 HD2 PRO 4 HD2 PRO 4 5.993 -4.914 1.009
42 HD3 PRO 4 HD1 PRO 4 6.903 -3.616 0.209
43 H GLY 5 HN GLY 5 2.392 -4.432 -3.177
44 HA2 GLY 5 HA2 GLY 5 0.338 -5.686 -3.038
45 HA3 GLY 5 HA1 GLY 5 0.477 -5.634 -1.287
46 H PHE 6 HN PHE 6 1.393 -2.699 -1.985
47 HA PHE 6 HA PHE 6 -1.325 -1.607 -2.130
48 HB2 PHE 6 HB2 PHE 6 1.099 -0.520 -0.686
49 HB3 PHE 6 HB1 PHE 6 -0.420 0.351 -0.871
50 HD1 PHE 6 HD1 PHE 6 1.422 -1.582 1.317
51 HD2 PHE 6 HD2 PHE 6 -2.546 -1.145 -0.152
52 HE1 PHE 6 HE1 PHE 6 0.558 -2.670 3.344
53 HE2 PHE 6 HE2 PHE 6 -3.421 -2.236 1.876
54 HZ PHE 6 HZ PHE 6 -1.866 -3.004 3.626
55 H SER 7 HN SER 7 -1.680 -0.776 -4.062
56 HA SER 7 HA SER 7 0.290 -0.175 -5.968
57 HB2 SER 7 HB2 SER 7 -2.580 0.776 -5.823
58 HB3 SER 7 HB1 SER 7 -1.567 0.770 -7.269
59 HG SER 7 HG SER 7 -3.114 -1.168 -6.421
60 HA PRO 8 HA PRO 8 1.266 3.968 -4.512
61 HB2 PRO 8 HB2 PRO 8 3.203 4.262 -6.581
62 HB3 PRO 8 HB1 PRO 8 3.489 3.779 -4.909
63 HG2 PRO 8 HG2 PRO 8 3.844 2.151 -7.136
64 HG3 PRO 8 HG1 PRO 8 3.684 1.585 -5.466
65 HD2 PRO 8 HD2 PRO 8 1.623 1.739 -7.620
66 HD3 PRO 8 HD1 PRO 8 1.872 0.484 -6.390
67 H PHE 9 HN PHE 9 -0.067 5.508 -4.965
68 HA PHE 9 HA PHE 9 -1.191 7.181 -5.967
69 HB2 PHE 9 HB2 PHE 9 0.944 6.813 -8.073
70 HB3 PHE 9 HB1 PHE 9 -0.209 8.144 -8.050
71 HD1 PHE 9 HD1 PHE 9 2.992 7.621 -7.572
72 HD2 PHE 9 HD2 PHE 9 -0.330 8.958 -5.289
73 HE1 PHE 9 HE1 PHE 9 4.517 8.870 -6.107
74 HE2 PHE 9 HE2 PHE 9 1.185 10.222 -3.813
75 HZ PHE 9 HZ PHE 9 3.523 10.180 -4.129
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 8.949 3.292 2.888
2 H2 LYS 1 HT2 LYS 1 7.891 4.588 3.186
3 H3 LYS 1 HT3 LYS 1 9.267 4.823 2.229
4 HA LYS 1 HA LYS 1 7.348 4.688 0.826
5 HB2 LYS 1 HB2 LYS 1 9.001 2.152 0.692
6 HB3 LYS 1 HB1 LYS 1 8.036 2.816 -0.617
7 HG2 LYS 1 HG2 LYS 1 9.470 4.723 -0.801
8 HG3 LYS 1 HG1 LYS 1 10.351 4.260 0.656
9 HD2 LYS 1 HD2 LYS 1 11.126 2.219 -0.477
10 HD3 LYS 1 HD1 LYS 1 10.264 2.714 -1.938
11 HE2 LYS 1 HE2 LYS 1 11.667 4.622 -2.205
12 HE3 LYS 1 HE1 LYS 1 12.382 4.383 -0.610
13 HZ1 LYS 1 HZ1 LYS 1 13.837 3.630 -2.390
14 HZ2 LYS 1 HZ2 LYS 1 12.661 2.515 -2.899
15 HZ3 LYS 1 HZ3 LYS 1 13.383 2.351 -1.376
16 H ARG 2 HN ARG 2 5.846 2.923 -0.205
17 HA ARG 2 HA ARG 2 4.296 1.841 2.013
18 HB2 ARG 2 HB2 ARG 2 3.648 2.183 -0.914
19 HB3 ARG 2 HB1 ARG 2 2.560 1.431 0.246
20 HG2 ARG 2 HG2 ARG 2 3.589 4.261 0.360
21 HG3 ARG 2 HG1 ARG 2 1.970 3.758 -0.136
22 HD2 ARG 2 HD2 ARG 2 1.506 2.913 2.063
23 HD3 ARG 2 HD1 ARG 2 3.168 3.212 2.572
24 HE ARG 2 HE ARG 2 1.890 5.588 1.648
25 HH11 ARG 2 HH11 ARG 2 2.137 3.434 4.407
26 HH12 ARG 2 HH12 ARG 2 1.701 4.657 5.559
27 HH21 ARG 2 HH21 ARG 2 1.341 7.198 3.179
28 HH22 ARG 2 HH22 ARG 2 1.289 6.793 4.867
29 HA PRO 3 HA PRO 3 5.801 -2.260 1.394
30 HB2 PRO 3 HB2 PRO 3 3.263 -3.151 2.602
31 HB3 PRO 3 HB1 PRO 3 4.920 -3.376 3.174
32 HG2 PRO 3 HG2 PRO 3 3.221 -1.687 4.393
33 HG3 PRO 3 HG1 PRO 3 4.954 -1.336 4.259
34 HD2 PRO 3 HD2 PRO 3 2.670 -0.251 2.643
35 HD3 PRO 3 HD1 PRO 3 4.097 0.591 3.288
36 HA PRO 4 HA PRO 4 3.720 -3.361 -2.401
37 HB2 PRO 4 HB2 PRO 4 5.100 -5.696 -2.795
38 HB3 PRO 4 HB1 PRO 4 5.710 -4.098 -3.235
39 HG2 PRO 4 HG2 PRO 4 6.317 -5.759 -0.819
40 HG3 PRO 4 HG1 PRO 4 7.406 -4.762 -1.801
41 HD2 PRO 4 HD2 PRO 4 6.453 -3.927 0.580
42 HD3 PRO 4 HD1 PRO 4 6.761 -2.805 -0.764
43 H GLY 5 HN GLY 5 2.024 -4.619 -2.915
44 HA2 GLY 5 HA2 GLY 5 0.785 -6.696 -2.756
45 HA3 GLY 5 HA1 GLY 5 1.377 -6.866 -1.108
46 H PHE 6 HN PHE 6 0.857 -3.814 -1.040
47 HA PHE 6 HA PHE 6 -2.007 -4.011 -0.429
48 HB2 PHE 6 HB2 PHE 6 0.059 -2.148 0.760
49 HB3 PHE 6 HB1 PHE 6 -1.655 -2.163 1.163
50 HD1 PHE 6 HD1 PHE 6 1.463 -3.188 2.263
51 HD2 PHE 6 HD2 PHE 6 -2.525 -4.611 1.813
52 HE1 PHE 6 HE1 PHE 6 1.867 -4.864 4.020
53 HE2 PHE 6 HE2 PHE 6 -2.121 -6.296 3.562
54 HZ PHE 6 HZ PHE 6 0.074 -6.428 4.671
55 H SER 7 HN SER 7 -3.157 -3.126 -2.003
56 HA SER 7 HA SER 7 -2.121 -0.666 -3.245
57 HB2 SER 7 HB2 SER 7 -3.807 -2.793 -4.579
58 HB3 SER 7 HB1 SER 7 -3.122 -1.361 -5.351
59 HG SER 7 HG SER 7 -1.312 -2.974 -4.017
60 HA PRO 8 HA PRO 8 -6.044 0.985 -1.977
61 HB2 PRO 8 HB2 PRO 8 -5.567 3.405 -3.410
62 HB3 PRO 8 HB1 PRO 8 -5.286 3.103 -1.692
63 HG2 PRO 8 HG2 PRO 8 -3.301 3.584 -3.568
64 HG3 PRO 8 HG1 PRO 8 -3.051 2.786 -2.007
65 HD2 PRO 8 HD2 PRO 8 -3.431 1.569 -4.716
66 HD3 PRO 8 HD1 PRO 8 -2.310 1.093 -3.422
67 H PHE 9 HN PHE 9 -7.820 0.358 -2.887
68 HA PHE 9 HA PHE 9 -8.212 0.500 -5.757
69 HB2 PHE 9 HB2 PHE 9 -9.804 -0.786 -3.541
70 HB3 PHE 9 HB1 PHE 9 -10.339 -0.759 -5.223
71 HD1 PHE 9 HD1 PHE 9 -8.344 -1.502 -6.904
72 HD2 PHE 9 HD2 PHE 9 -8.804 -2.680 -2.845
73 HE1 PHE 9 HE1 PHE 9 -7.014 -3.526 -7.344
74 HE2 PHE 9 HE2 PHE 9 -7.489 -4.696 -3.273
75 HZ PHE 9 HZ PHE 9 -6.510 -5.069 -5.581
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 8.533 2.728 3.560
2 H2 LYS 1 HT2 LYS 1 7.497 3.965 4.065
3 H3 LYS 1 HT3 LYS 1 8.969 4.351 3.325
4 HA LYS 1 HA LYS 1 7.130 4.659 1.806
5 HB2 LYS 1 HB2 LYS 1 8.777 2.233 1.059
6 HB3 LYS 1 HB1 LYS 1 8.004 3.359 -0.047
7 HG2 LYS 1 HG2 LYS 1 9.487 5.135 0.694
8 HG3 LYS 1 HG1 LYS 1 10.240 4.041 1.853
9 HD2 LYS 1 HD2 LYS 1 11.690 4.102 -0.009
10 HD3 LYS 1 HD1 LYS 1 10.827 2.566 -0.119
11 HE2 LYS 1 HE2 LYS 1 9.273 3.583 -1.738
12 HE3 LYS 1 HE1 LYS 1 10.195 5.081 -1.646
13 HZ1 LYS 1 HZ1 LYS 1 12.148 3.847 -2.457
14 HZ2 LYS 1 HZ2 LYS 1 10.872 3.852 -3.569
15 HZ3 LYS 1 HZ3 LYS 1 11.182 2.466 -2.644
16 H ARG 2 HN ARG 2 5.731 3.282 0.219
17 HA ARG 2 HA ARG 2 3.917 1.774 1.868
18 HB2 ARG 2 HB2 ARG 2 3.920 2.252 -1.114
19 HB3 ARG 2 HB1 ARG 2 2.646 1.413 -0.241
20 HG2 ARG 2 HG2 ARG 2 2.377 3.521 1.126
21 HG3 ARG 2 HG1 ARG 2 3.434 4.305 -0.049
22 HD2 ARG 2 HD2 ARG 2 1.879 3.612 -1.847
23 HD3 ARG 2 HD1 ARG 2 0.801 2.945 -0.625
24 HE ARG 2 HE ARG 2 1.524 5.796 -0.534
25 HH11 ARG 2 HH11 ARG 2 -0.912 3.287 -0.866
26 HH12 ARG 2 HH12 ARG 2 -2.239 4.406 -0.870
27 HH21 ARG 2 HH21 ARG 2 -0.225 7.258 -0.551
28 HH22 ARG 2 HH22 ARG 2 -1.854 6.653 -0.638
29 HA PRO 3 HA PRO 3 5.988 -2.128 1.249
30 HB2 PRO 3 HB2 PRO 3 3.543 -3.240 2.456
31 HB3 PRO 3 HB1 PRO 3 5.211 -3.314 3.033
32 HG2 PRO 3 HG2 PRO 3 3.354 -1.804 4.254
33 HG3 PRO 3 HG1 PRO 3 5.049 -1.293 4.143
34 HD2 PRO 3 HD2 PRO 3 2.692 -0.426 2.509
35 HD3 PRO 3 HD1 PRO 3 4.010 0.554 3.189
36 HA PRO 4 HA PRO 4 4.191 -3.777 -2.427
37 HB2 PRO 4 HB2 PRO 4 4.764 -6.451 -2.099
38 HB3 PRO 4 HB1 PRO 4 5.907 -5.244 -2.698
39 HG2 PRO 4 HG2 PRO 4 5.623 -6.399 0.042
40 HG3 PRO 4 HG1 PRO 4 7.096 -5.984 -0.855
41 HD2 PRO 4 HD2 PRO 4 6.124 -4.419 1.107
42 HD3 PRO 4 HD1 PRO 4 6.940 -3.745 -0.318
43 H GLY 5 HN GLY 5 2.266 -4.511 -3.088
44 HA2 GLY 5 HA2 GLY 5 0.441 -6.072 -2.998
45 HA3 GLY 5 HA1 GLY 5 0.661 -6.176 -1.261
46 H PHE 6 HN PHE 6 1.030 -3.111 -1.464
47 HA PHE 6 HA PHE 6 -1.801 -2.554 -1.080
48 HB2 PHE 6 HB2 PHE 6 0.677 -0.963 -0.436
49 HB3 PHE 6 HB1 PHE 6 -0.952 -0.312 -0.262
50 HD1 PHE 6 HD1 PHE 6 1.634 -1.861 1.446
51 HD2 PHE 6 HD2 PHE 6 -2.598 -1.961 1.047
52 HE1 PHE 6 HE1 PHE 6 1.447 -2.888 3.672
53 HE2 PHE 6 HE2 PHE 6 -2.792 -2.990 3.274
54 HZ PHE 6 HZ PHE 6 -0.763 -3.457 4.591
55 H SER 7 HN SER 7 -2.987 -1.793 -2.675
56 HA SER 7 HA SER 7 -1.756 -0.747 -5.071
57 HB2 SER 7 HB2 SER 7 -4.716 -0.935 -4.526
58 HB3 SER 7 HB1 SER 7 -3.879 -1.017 -6.075
59 HG SER 7 HG SER 7 -2.843 -2.969 -4.892
60 HA PRO 8 HA PRO 8 -2.557 3.483 -3.790
61 HB2 PRO 8 HB2 PRO 8 -1.460 4.439 -6.249
62 HB3 PRO 8 HB1 PRO 8 -0.673 4.372 -4.672
63 HG2 PRO 8 HG2 PRO 8 0.080 2.861 -6.857
64 HG3 PRO 8 HG1 PRO 8 0.433 2.446 -5.167
65 HD2 PRO 8 HD2 PRO 8 -1.776 1.444 -6.941
66 HD3 PRO 8 HD1 PRO 8 -0.743 0.544 -5.804
67 H PHE 9 HN PHE 9 -4.512 4.239 -3.961
68 HA PHE 9 HA PHE 9 -6.081 3.852 -6.358
69 HB2 PHE 9 HB2 PHE 9 -6.797 5.026 -3.665
70 HB3 PHE 9 HB1 PHE 9 -7.932 4.833 -5.002
71 HD1 PHE 9 HD1 PHE 9 -7.583 2.354 -6.102
72 HD2 PHE 9 HD2 PHE 9 -7.087 3.435 -2.027
73 HE1 PHE 9 HE1 PHE 9 -8.021 0.037 -5.450
74 HE2 PHE 9 HE2 PHE 9 -7.515 1.099 -1.353
75 HZ PHE 9 HZ PHE 9 -7.990 -0.605 -3.065
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 7.382 4.884 3.328
2 H2 LYS 1 HT2 LYS 1 6.360 5.592 2.180
3 H3 LYS 1 HT3 LYS 1 8.031 5.860 2.103
4 HA LYS 1 HA LYS 1 7.350 4.291 0.430
5 HB2 LYS 1 HB2 LYS 1 9.576 4.076 1.458
6 HB3 LYS 1 HB1 LYS 1 8.906 3.007 2.687
7 HG2 LYS 1 HG2 LYS 1 8.322 1.391 0.917
8 HG3 LYS 1 HG1 LYS 1 9.058 2.468 -0.275
9 HD2 LYS 1 HD2 LYS 1 11.208 2.256 0.815
10 HD3 LYS 1 HD1 LYS 1 10.493 1.264 2.090
11 HE2 LYS 1 HE2 LYS 1 11.601 -0.182 0.528
12 HE3 LYS 1 HE1 LYS 1 9.863 -0.399 0.350
13 HZ1 LYS 1 HZ1 LYS 1 9.895 0.985 -1.611
14 HZ2 LYS 1 HZ2 LYS 1 11.010 -0.277 -1.787
15 HZ3 LYS 1 HZ3 LYS 1 11.555 1.290 -1.417
16 H ARG 2 HN ARG 2 5.764 3.023 -0.162
17 HA ARG 2 HA ARG 2 4.038 1.820 1.836
18 HB2 ARG 2 HB2 ARG 2 3.842 1.822 -1.181
19 HB3 ARG 2 HB1 ARG 2 2.597 1.265 -0.070
20 HG2 ARG 2 HG2 ARG 2 2.280 3.481 0.782
21 HG3 ARG 2 HG1 ARG 2 3.658 4.081 -0.151
22 HD2 ARG 2 HD2 ARG 2 2.484 3.533 -2.228
23 HD3 ARG 2 HD1 ARG 2 1.110 2.932 -1.299
24 HE ARG 2 HE ARG 2 1.259 5.422 -0.387
25 HH11 ARG 2 HH11 ARG 2 1.417 4.190 -3.670
26 HH12 ARG 2 HH12 ARG 2 0.791 5.651 -4.373
27 HH21 ARG 2 HH21 ARG 2 0.417 7.310 -1.315
28 HH22 ARG 2 HH22 ARG 2 0.222 7.411 -3.037
29 HA PRO 3 HA PRO 3 5.840 -2.228 1.393
30 HB2 PRO 3 HB2 PRO 3 3.445 -3.319 2.645
31 HB3 PRO 3 HB1 PRO 3 5.077 -3.187 3.303
32 HG2 PRO 3 HG2 PRO 3 2.985 -1.725 4.233
33 HG3 PRO 3 HG1 PRO 3 4.661 -1.146 4.277
34 HD2 PRO 3 HD2 PRO 3 2.478 -0.490 2.334
35 HD3 PRO 3 HD1 PRO 3 3.679 0.587 3.083
36 HA PRO 4 HA PRO 4 4.011 -3.486 -2.460
37 HB2 PRO 4 HB2 PRO 4 5.449 -6.014 -1.808
38 HB3 PRO 4 HB1 PRO 4 5.487 -5.041 -3.284
39 HG2 PRO 4 HG2 PRO 4 7.520 -4.976 -1.573
40 HG3 PRO 4 HG1 PRO 4 6.971 -3.502 -2.390
41 HD2 PRO 4 HD2 PRO 4 6.517 -4.390 0.422
42 HD3 PRO 4 HD1 PRO 4 6.794 -2.755 -0.212
43 H GLY 5 HN GLY 5 1.958 -4.067 -2.647
44 HA2 GLY 5 HA2 GLY 5 0.404 -5.897 -2.823
45 HA3 GLY 5 HA1 GLY 5 1.130 -6.599 -1.387
46 H PHE 6 HN PHE 6 1.020 -3.567 -0.475
47 HA PHE 6 HA PHE 6 -1.651 -3.895 0.685
48 HB2 PHE 6 HB2 PHE 6 0.763 -2.427 1.741
49 HB3 PHE 6 HB1 PHE 6 -0.825 -2.387 2.504
50 HD1 PHE 6 HD1 PHE 6 2.277 -3.939 2.582
51 HD2 PHE 6 HD2 PHE 6 -1.875 -4.823 2.829
52 HE1 PHE 6 HE1 PHE 6 2.798 -6.033 3.764
53 HE2 PHE 6 HE2 PHE 6 -1.365 -6.925 4.008
54 HZ PHE 6 HZ PHE 6 0.975 -7.527 4.481
55 H SER 7 HN SER 7 -3.195 -2.520 0.219
56 HA SER 7 HA SER 7 -2.647 -0.318 -1.577
57 HB2 SER 7 HB2 SER 7 -5.278 -1.231 -0.388
58 HB3 SER 7 HB1 SER 7 -5.058 -0.151 -1.765
59 HG SER 7 HG SER 7 -4.063 -2.807 -1.707
60 HA PRO 8 HA PRO 8 -2.695 2.546 1.831
61 HB2 PRO 8 HB2 PRO 8 -1.956 4.718 0.379
62 HB3 PRO 8 HB1 PRO 8 -0.825 3.450 0.868
63 HG2 PRO 8 HG2 PRO 8 -1.870 4.076 -1.791
64 HG3 PRO 8 HG1 PRO 8 -0.485 3.073 -1.336
65 HD2 PRO 8 HD2 PRO 8 -3.179 2.261 -2.044
66 HD3 PRO 8 HD1 PRO 8 -1.737 1.256 -1.805
67 H PHE 9 HN PHE 9 -4.559 3.190 2.589
68 HA PHE 9 HA PHE 9 -6.524 4.454 0.850
69 HB2 PHE 9 HB2 PHE 9 -6.653 3.452 3.695
70 HB3 PHE 9 HB1 PHE 9 -7.977 4.322 2.917
71 HD1 PHE 9 HD1 PHE 9 -8.508 3.360 0.470
72 HD2 PHE 9 HD2 PHE 9 -6.805 1.163 3.688
73 HE1 PHE 9 HE1 PHE 9 -9.314 1.279 -0.535
74 HE2 PHE 9 HE2 PHE 9 -7.616 -0.935 2.689
75 HZ PHE 9 HZ PHE 9 -8.879 -0.883 0.574
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 8.270 5.765 2.057
2 H2 LYS 1 HT2 LYS 1 7.523 4.910 3.311
3 H3 LYS 1 HT3 LYS 1 6.584 5.630 2.103
4 HA LYS 1 HA LYS 1 7.512 4.168 0.452
5 HB2 LYS 1 HB2 LYS 1 8.860 2.220 1.230
6 HB3 LYS 1 HB1 LYS 1 9.684 3.767 1.375
7 HG2 LYS 1 HG2 LYS 1 9.293 3.821 3.749
8 HG3 LYS 1 HG1 LYS 1 8.268 2.389 3.648
9 HD2 LYS 1 HD2 LYS 1 10.181 1.040 2.976
10 HD3 LYS 1 HD1 LYS 1 11.217 2.469 3.004
11 HE2 LYS 1 HE2 LYS 1 10.889 2.716 5.373
12 HE3 LYS 1 HE1 LYS 1 9.703 1.413 5.380
13 HZ1 LYS 1 HZ1 LYS 1 11.914 0.725 6.178
14 HZ2 LYS 1 HZ2 LYS 1 12.564 1.065 4.647
15 HZ3 LYS 1 HZ3 LYS 1 11.403 -0.157 4.822
16 H ARG 2 HN ARG 2 5.929 2.876 -0.153
17 HA ARG 2 HA ARG 2 4.128 1.818 1.895
18 HB2 ARG 2 HB2 ARG 2 3.854 2.396 -1.025
19 HB3 ARG 2 HB1 ARG 2 2.763 1.244 -0.260
20 HG2 ARG 2 HG2 ARG 2 2.171 2.991 1.391
21 HG3 ARG 2 HG1 ARG 2 3.171 4.125 0.480
22 HD2 ARG 2 HD2 ARG 2 1.752 4.115 -1.351
23 HD3 ARG 2 HD1 ARG 2 1.012 2.580 -0.896
24 HE ARG 2 HE ARG 2 0.503 4.570 1.068
25 HH11 ARG 2 HH11 ARG 2 -0.454 3.696 -2.187
26 HH12 ARG 2 HH12 ARG 2 -2.100 4.229 -1.969
27 HH21 ARG 2 HH21 ARG 2 -1.625 5.297 1.324
28 HH22 ARG 2 HH22 ARG 2 -2.766 5.130 0.032
29 HA PRO 3 HA PRO 3 5.791 -2.241 1.428
30 HB2 PRO 3 HB2 PRO 3 3.302 -3.249 2.582
31 HB3 PRO 3 HB1 PRO 3 4.928 -3.250 3.267
32 HG2 PRO 3 HG2 PRO 3 2.957 -1.677 4.234
33 HG3 PRO 3 HG1 PRO 3 4.662 -1.193 4.255
34 HD2 PRO 3 HD2 PRO 3 2.483 -0.382 2.368
35 HD3 PRO 3 HD1 PRO 3 3.756 0.611 3.115
36 HA PRO 4 HA PRO 4 3.909 -3.428 -2.446
37 HB2 PRO 4 HB2 PRO 4 5.486 -5.901 -2.070
38 HB3 PRO 4 HB1 PRO 4 5.522 -4.733 -3.391
39 HG2 PRO 4 HG2 PRO 4 7.512 -4.880 -1.607
40 HG3 PRO 4 HG1 PRO 4 6.990 -3.326 -2.289
41 HD2 PRO 4 HD2 PRO 4 6.403 -4.520 0.391
42 HD3 PRO 4 HD1 PRO 4 6.761 -2.834 -0.040
43 H GLY 5 HN GLY 5 1.880 -4.122 -2.514
44 HA2 GLY 5 HA2 GLY 5 0.180 -5.677 -2.563
45 HA3 GLY 5 HA1 GLY 5 1.275 -6.849 -1.859
46 H PHE 6 HN PHE 6 1.183 -4.014 -0.046
47 HA PHE 6 HA PHE 6 -0.742 -5.243 1.793
48 HB2 PHE 6 HB2 PHE 6 1.754 -3.671 2.416
49 HB3 PHE 6 HB1 PHE 6 0.528 -4.063 3.620
50 HD1 PHE 6 HD1 PHE 6 3.561 -5.044 2.264
51 HD2 PHE 6 HD2 PHE 6 -0.134 -6.661 3.639
52 HE1 PHE 6 HE1 PHE 6 4.656 -7.220 2.637
53 HE2 PHE 6 HE2 PHE 6 0.957 -8.836 4.014
54 HZ PHE 6 HZ PHE 6 3.287 -9.145 3.526
55 H SER 7 HN SER 7 -2.353 -4.031 2.608
56 HA SER 7 HA SER 7 -2.723 -1.405 1.410
57 HB2 SER 7 HB2 SER 7 -4.675 -3.085 2.998
58 HB3 SER 7 HB1 SER 7 -5.061 -1.613 2.102
59 HG SER 7 HG SER 7 -4.245 -2.806 0.204
60 HA PRO 8 HA PRO 8 -1.929 0.592 5.314
61 HB2 PRO 8 HB2 PRO 8 -2.908 3.078 4.279
62 HB3 PRO 8 HB1 PRO 8 -1.228 2.557 4.401
63 HG2 PRO 8 HG2 PRO 8 -2.592 2.960 2.032
64 HG3 PRO 8 HG1 PRO 8 -1.148 1.938 2.203
65 HD2 PRO 8 HD2 PRO 8 -4.040 1.150 2.155
66 HD3 PRO 8 HD1 PRO 8 -2.646 0.366 1.383
67 H PHE 9 HN PHE 9 -3.215 0.365 6.946
68 HA PHE 9 HA PHE 9 -6.064 0.960 6.713
69 HB2 PHE 9 HB2 PHE 9 -4.509 -0.762 8.640
70 HB3 PHE 9 HB1 PHE 9 -6.204 -0.352 8.895
71 HD1 PHE 9 HD1 PHE 9 -7.699 -0.743 6.697
72 HD2 PHE 9 HD2 PHE 9 -4.062 -2.741 7.622
73 HE1 PHE 9 HE1 PHE 9 -8.361 -2.616 5.250
74 HE2 PHE 9 HE2 PHE 9 -4.715 -4.611 6.189
75 HZ PHE 9 HZ PHE 9 -6.899 -4.476 4.897
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 6.793 4.820 3.613
2 H2 LYS 1 HT2 LYS 1 8.481 4.869 3.452
3 H3 LYS 1 HT3 LYS 1 7.735 3.530 4.175
4 HA LYS 1 HA LYS 1 7.398 4.347 1.346
5 HB2 LYS 1 HB2 LYS 1 9.655 3.480 1.807
6 HB3 LYS 1 HB1 LYS 1 8.963 2.068 2.587
7 HG2 LYS 1 HG2 LYS 1 7.919 1.451 0.418
8 HG3 LYS 1 HG1 LYS 1 8.787 2.792 -0.329
9 HD2 LYS 1 HD2 LYS 1 10.916 1.804 0.327
10 HD3 LYS 1 HD1 LYS 1 10.066 0.473 1.118
11 HE2 LYS 1 HE2 LYS 1 10.011 1.137 -1.829
12 HE3 LYS 1 HE1 LYS 1 10.884 -0.199 -1.078
13 HZ1 LYS 1 HZ1 LYS 1 7.945 0.154 -1.270
14 HZ2 LYS 1 HZ2 LYS 1 8.682 -1.025 -0.293
15 HZ3 LYS 1 HZ3 LYS 1 8.891 -1.065 -1.973
16 H ARG 2 HN ARG 2 5.807 3.249 0.244
17 HA ARG 2 HA ARG 2 3.897 1.771 1.800
18 HB2 ARG 2 HB2 ARG 2 4.094 2.417 -1.130
19 HB3 ARG 2 HB1 ARG 2 2.843 1.353 -0.504
20 HG2 ARG 2 HG2 ARG 2 1.756 3.374 -0.548
21 HG3 ARG 2 HG1 ARG 2 2.343 3.339 1.111
22 HD2 ARG 2 HD2 ARG 2 2.781 5.513 0.248
23 HD3 ARG 2 HD1 ARG 2 4.324 4.668 0.348
24 HE ARG 2 HE ARG 2 3.562 4.172 -2.196
25 HH11 ARG 2 HH11 ARG 2 3.819 7.144 -0.345
26 HH12 ARG 2 HH12 ARG 2 4.156 8.118 -1.737
27 HH21 ARG 2 HH21 ARG 2 3.994 5.471 -4.018
28 HH22 ARG 2 HH22 ARG 2 4.205 7.185 -3.820
29 HA PRO 3 HA PRO 3 5.907 -2.133 1.248
30 HB2 PRO 3 HB2 PRO 3 3.591 -3.332 2.523
31 HB3 PRO 3 HB1 PRO 3 5.223 -3.136 3.160
32 HG2 PRO 3 HG2 PRO 3 3.073 -1.784 4.131
33 HG3 PRO 3 HG1 PRO 3 4.728 -1.145 4.179
34 HD2 PRO 3 HD2 PRO 3 2.504 -0.522 2.271
35 HD3 PRO 3 HD1 PRO 3 3.685 0.576 3.022
36 HA PRO 4 HA PRO 4 4.140 -3.707 -2.470
37 HB2 PRO 4 HB2 PRO 4 5.202 -6.316 -1.537
38 HB3 PRO 4 HB1 PRO 4 5.490 -5.464 -3.059
39 HG2 PRO 4 HG2 PRO 4 7.367 -5.549 -1.177
40 HG3 PRO 4 HG1 PRO 4 7.097 -4.070 -2.122
41 HD2 PRO 4 HD2 PRO 4 6.263 -4.713 0.674
42 HD3 PRO 4 HD1 PRO 4 6.858 -3.183 0.002
43 H GLY 5 HN GLY 5 2.077 -4.180 -2.791
44 HA2 GLY 5 HA2 GLY 5 0.217 -5.604 -2.828
45 HA3 GLY 5 HA1 GLY 5 0.891 -6.494 -1.471
46 H PHE 6 HN PHE 6 1.261 -3.459 -0.486
47 HA PHE 6 HA PHE 6 -1.367 -3.430 0.808
48 HB2 PHE 6 HB2 PHE 6 1.293 -2.368 1.751
49 HB3 PHE 6 HB1 PHE 6 -0.230 -2.063 2.582
50 HD1 PHE 6 HD1 PHE 6 2.579 -4.093 2.546
51 HD2 PHE 6 HD2 PHE 6 -1.644 -4.294 2.985
52 HE1 PHE 6 HE1 PHE 6 2.815 -6.220 3.753
53 HE2 PHE 6 HE2 PHE 6 -1.418 -6.426 4.201
54 HZ PHE 6 HZ PHE 6 0.815 -7.391 4.586
55 H SER 7 HN SER 7 -2.718 -1.887 0.289
56 HA SER 7 HA SER 7 -1.652 0.575 -0.915
57 HB2 SER 7 HB2 SER 7 -4.231 -0.831 -1.617
58 HB3 SER 7 HB1 SER 7 -3.611 0.636 -2.369
59 HG SER 7 HG SER 7 -1.674 -1.092 -2.561
60 HA PRO 8 HA PRO 8 -4.152 2.619 2.125
61 HB2 PRO 8 HB2 PRO 8 -4.105 5.084 0.691
62 HB3 PRO 8 HB1 PRO 8 -3.045 4.596 2.013
63 HG2 PRO 8 HG2 PRO 8 -2.233 5.002 -0.600
64 HG3 PRO 8 HG1 PRO 8 -1.355 4.041 0.602
65 HD2 PRO 8 HD2 PRO 8 -3.205 3.123 -1.565
66 HD3 PRO 8 HD1 PRO 8 -1.684 2.396 -1.004
67 H PHE 9 HN PHE 9 -6.227 2.344 2.254
68 HA PHE 9 HA PHE 9 -8.026 2.238 0.114
69 HB2 PHE 9 HB2 PHE 9 -8.508 2.493 3.084
70 HB3 PHE 9 HB1 PHE 9 -9.787 2.212 1.905
71 HD1 PHE 9 HD1 PHE 9 -9.010 0.277 0.145
72 HD2 PHE 9 HD2 PHE 9 -7.866 0.608 4.223
73 HE1 PHE 9 HE1 PHE 9 -8.572 -2.133 0.203
74 HE2 PHE 9 HE2 PHE 9 -7.417 -1.812 4.301
75 HZ PHE 9 HZ PHE 9 -7.775 -3.191 2.287
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 8.170 3.209 3.895
2 H2 LYS 1 HT2 LYS 1 9.420 3.901 2.983
3 H3 LYS 1 HT3 LYS 1 9.025 2.263 2.781
4 HA LYS 1 HA LYS 1 7.308 4.574 2.098
5 HB2 LYS 1 HB2 LYS 1 8.751 2.524 0.393
6 HB3 LYS 1 HB1 LYS 1 7.571 3.667 -0.227
7 HG2 LYS 1 HG2 LYS 1 10.171 4.424 1.097
8 HG3 LYS 1 HG1 LYS 1 9.890 4.364 -0.646
9 HD2 LYS 1 HD2 LYS 1 8.132 6.065 -0.406
10 HD3 LYS 1 HD1 LYS 1 8.453 6.139 1.330
11 HE2 LYS 1 HE2 LYS 1 10.750 6.863 0.872
12 HE3 LYS 1 HE1 LYS 1 10.427 6.794 -0.859
13 HZ1 LYS 1 HZ1 LYS 1 8.802 8.539 -0.617
14 HZ2 LYS 1 HZ2 LYS 1 10.273 9.050 0.047
15 HZ3 LYS 1 HZ3 LYS 1 9.011 8.562 1.066
16 H ARG 2 HN ARG 2 5.735 3.316 0.262
17 HA ARG 2 HA ARG 2 3.977 1.806 1.943
18 HB2 ARG 2 HB2 ARG 2 3.077 3.294 0.235
19 HB3 ARG 2 HB1 ARG 2 3.894 2.381 -1.025
20 HG2 ARG 2 HG2 ARG 2 2.477 0.500 -0.697
21 HG3 ARG 2 HG1 ARG 2 1.779 1.205 0.763
22 HD2 ARG 2 HD2 ARG 2 1.526 2.403 -1.996
23 HD3 ARG 2 HD1 ARG 2 0.312 1.372 -1.233
24 HE ARG 2 HE ARG 2 1.173 3.900 0.019
25 HH11 ARG 2 HH11 ARG 2 -1.349 1.902 -1.358
26 HH12 ARG 2 HH12 ARG 2 -2.637 2.833 -0.668
27 HH21 ARG 2 HH21 ARG 2 -0.523 5.117 0.946
28 HH22 ARG 2 HH22 ARG 2 -2.172 4.644 0.659
29 HA PRO 3 HA PRO 3 5.986 -2.092 1.177
30 HB2 PRO 3 HB2 PRO 3 4.129 -3.643 2.440
31 HB3 PRO 3 HB1 PRO 3 5.371 -2.712 3.291
32 HG2 PRO 3 HG2 PRO 3 2.495 -2.050 2.807
33 HG3 PRO 3 HG1 PRO 3 3.464 -1.820 4.276
34 HD2 PRO 3 HD2 PRO 3 2.907 0.204 2.567
35 HD3 PRO 3 HD1 PRO 3 4.425 0.121 3.482
36 HA PRO 4 HA PRO 4 4.193 -3.823 -2.449
37 HB2 PRO 4 HB2 PRO 4 4.936 -6.474 -1.335
38 HB3 PRO 4 HB1 PRO 4 5.391 -5.735 -2.876
39 HG2 PRO 4 HG2 PRO 4 7.137 -5.917 -0.873
40 HG3 PRO 4 HG1 PRO 4 7.094 -4.486 -1.919
41 HD2 PRO 4 HD2 PRO 4 6.039 -4.845 0.860
42 HD3 PRO 4 HD1 PRO 4 6.838 -3.436 0.131
43 H GLY 5 HN GLY 5 2.310 -4.727 -3.146
44 HA2 GLY 5 HA2 GLY 5 0.440 -6.203 -2.925
45 HA3 GLY 5 HA1 GLY 5 0.643 -6.141 -1.186
46 H PHE 6 HN PHE 6 1.093 -3.155 -1.583
47 HA PHE 6 HA PHE 6 -1.749 -2.453 -1.550
48 HB2 PHE 6 HB2 PHE 6 0.645 -1.045 -0.354
49 HB3 PHE 6 HB1 PHE 6 -0.981 -0.379 -0.364
50 HD1 PHE 6 HD1 PHE 6 1.314 -2.140 1.544
51 HD2 PHE 6 HD2 PHE 6 -2.813 -2.072 0.519
52 HE1 PHE 6 HE1 PHE 6 0.781 -3.375 3.609
53 HE2 PHE 6 HE2 PHE 6 -3.354 -3.294 2.575
54 HZ PHE 6 HZ PHE 6 -1.560 -3.950 4.124
55 H SER 7 HN SER 7 -2.535 -1.475 -3.265
56 HA SER 7 HA SER 7 -0.990 -0.715 -5.486
57 HB2 SER 7 HB2 SER 7 -3.806 0.181 -4.897
58 HB3 SER 7 HB1 SER 7 -3.066 -0.087 -6.473
59 HG SER 7 HG SER 7 -3.493 -2.147 -6.324
60 HA PRO 8 HA PRO 8 -0.127 3.497 -4.158
61 HB2 PRO 8 HB2 PRO 8 1.673 3.790 -6.332
62 HB3 PRO 8 HB1 PRO 8 2.080 3.409 -4.656
63 HG2 PRO 8 HG2 PRO 8 2.400 1.696 -6.842
64 HG3 PRO 8 HG1 PRO 8 2.399 1.213 -5.139
65 HD2 PRO 8 HD2 PRO 8 0.187 1.109 -7.143
66 HD3 PRO 8 HD1 PRO 8 0.607 -0.049 -5.860
67 H PHE 9 HN PHE 9 -1.526 4.982 -4.686
68 HA PHE 9 HA PHE 9 -2.917 5.067 -7.138
69 HB2 PHE 9 HB2 PHE 9 -2.810 6.996 -4.821
70 HB3 PHE 9 HB1 PHE 9 -3.821 7.257 -6.242
71 HD1 PHE 9 HD1 PHE 9 -5.159 5.017 -6.918
72 HD2 PHE 9 HD2 PHE 9 -3.873 6.094 -3.014
73 HE1 PHE 9 HE1 PHE 9 -6.899 3.588 -5.959
74 HE2 PHE 9 HE2 PHE 9 -5.626 4.673 -2.037
75 HZ PHE 9 HZ PHE 9 -7.147 3.414 -3.513
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 8.164 4.493 2.901
2 H2 LYS 1 HT2 LYS 1 7.069 5.490 2.075
3 H3 LYS 1 HT3 LYS 1 8.709 5.483 1.634
4 HA LYS 1 HA LYS 1 7.367 4.241 0.065
5 HB2 LYS 1 HB2 LYS 1 9.690 3.576 0.399
6 HB3 LYS 1 HB1 LYS 1 9.235 2.581 1.772
7 HG2 LYS 1 HG2 LYS 1 7.923 1.137 0.289
8 HG3 LYS 1 HG1 LYS 1 8.410 2.126 -1.087
9 HD2 LYS 1 HD2 LYS 1 10.749 1.558 -0.671
10 HD3 LYS 1 HD1 LYS 1 10.270 0.578 0.717
11 HE2 LYS 1 HE2 LYS 1 10.672 -0.794 -1.275
12 HE3 LYS 1 HE1 LYS 1 8.995 -0.897 -0.734
13 HZ1 LYS 1 HZ1 LYS 1 8.380 0.686 -2.447
14 HZ2 LYS 1 HZ2 LYS 1 9.146 -0.655 -3.137
15 HZ3 LYS 1 HZ3 LYS 1 9.991 0.806 -2.963
16 H ARG 2 HN ARG 2 5.633 2.966 -0.286
17 HA ARG 2 HA ARG 2 4.310 1.829 2.035
18 HB2 ARG 2 HB2 ARG 2 2.426 1.411 0.486
19 HB3 ARG 2 HB1 ARG 2 2.924 3.095 0.513
20 HG2 ARG 2 HG2 ARG 2 4.119 2.780 -1.592
21 HG3 ARG 2 HG1 ARG 2 3.623 1.081 -1.613
22 HD2 ARG 2 HD2 ARG 2 1.275 1.771 -1.664
23 HD3 ARG 2 HD1 ARG 2 1.765 3.467 -1.631
24 HE ARG 2 HE ARG 2 3.008 2.223 -3.818
25 HH11 ARG 2 HH11 ARG 2 -0.171 3.209 -2.744
26 HH12 ARG 2 HH12 ARG 2 -0.819 3.366 -4.347
27 HH21 ARG 2 HH21 ARG 2 2.186 2.449 -5.924
28 HH22 ARG 2 HH22 ARG 2 0.540 2.958 -6.167
29 HA PRO 3 HA PRO 3 5.836 -2.259 1.423
30 HB2 PRO 3 HB2 PRO 3 3.292 -3.222 2.552
31 HB3 PRO 3 HB1 PRO 3 4.939 -3.398 3.174
32 HG2 PRO 3 HG2 PRO 3 3.161 -1.747 4.352
33 HG3 PRO 3 HG1 PRO 3 4.887 -1.353 4.258
34 HD2 PRO 3 HD2 PRO 3 2.620 -0.340 2.592
35 HD3 PRO 3 HD1 PRO 3 4.002 0.542 3.279
36 HA PRO 4 HA PRO 4 4.064 -3.536 -2.475
37 HB2 PRO 4 HB2 PRO 4 5.343 -6.120 -1.786
38 HB3 PRO 4 HB1 PRO 4 5.540 -5.110 -3.224
39 HG2 PRO 4 HG2 PRO 4 7.452 -5.229 -1.367
40 HG3 PRO 4 HG1 PRO 4 7.069 -3.707 -2.191
41 HD2 PRO 4 HD2 PRO 4 6.327 -4.611 0.561
42 HD3 PRO 4 HD1 PRO 4 6.819 -3.003 -0.011
43 H GLY 5 HN GLY 5 2.051 -4.148 -2.778
44 HA2 GLY 5 HA2 GLY 5 0.286 -5.705 -2.807
45 HA3 GLY 5 HA1 GLY 5 1.026 -6.547 -1.457
46 H PHE 6 HN PHE 6 1.311 -3.613 -0.414
47 HA PHE 6 HA PHE 6 -1.358 -3.513 0.794
48 HB2 PHE 6 HB2 PHE 6 1.297 -2.676 1.983
49 HB3 PHE 6 HB1 PHE 6 -0.276 -2.416 2.739
50 HD1 PHE 6 HD1 PHE 6 2.493 -4.456 2.734
51 HD2 PHE 6 HD2 PHE 6 -1.754 -4.666 2.832
52 HE1 PHE 6 HE1 PHE 6 2.634 -6.696 3.753
53 HE2 PHE 6 HE2 PHE 6 -1.625 -6.892 3.871
54 HZ PHE 6 HZ PHE 6 0.538 -7.903 4.363
55 H SER 7 HN SER 7 -2.495 -1.938 -0.058
56 HA SER 7 HA SER 7 -1.137 0.619 -0.616
57 HB2 SER 7 HB2 SER 7 -3.523 -0.539 -2.081
58 HB3 SER 7 HB1 SER 7 -2.699 0.974 -2.449
59 HG SER 7 HG SER 7 -1.014 -1.182 -2.353
60 HA PRO 8 HA PRO 8 -4.194 2.302 2.100
61 HB2 PRO 8 HB2 PRO 8 -4.066 4.927 0.944
62 HB3 PRO 8 HB1 PRO 8 -3.221 4.336 2.375
63 HG2 PRO 8 HG2 PRO 8 -1.978 5.050 0.019
64 HG3 PRO 8 HG1 PRO 8 -1.294 3.958 1.238
65 HD2 PRO 8 HD2 PRO 8 -2.720 3.288 -1.310
66 HD3 PRO 8 HD1 PRO 8 -1.279 2.530 -0.599
67 H PHE 9 HN PHE 9 -6.208 1.833 1.875
68 HA PHE 9 HA PHE 9 -8.393 1.835 1.275
69 HB2 PHE 9 HB2 PHE 9 -7.639 4.258 -0.375
70 HB3 PHE 9 HB1 PHE 9 -9.281 3.752 0.030
71 HD1 PHE 9 HD1 PHE 9 -7.028 6.150 0.824
72 HD2 PHE 9 HD2 PHE 9 -9.309 3.099 2.716
73 HE1 PHE 9 HE1 PHE 9 -6.875 7.361 2.972
74 HE2 PHE 9 HE2 PHE 9 -9.173 4.297 4.845
75 HZ PHE 9 HZ PHE 9 -7.943 6.440 4.991
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 8.724 3.947 2.626
2 H2 LYS 1 HT2 LYS 1 7.630 5.217 2.382
3 H3 LYS 1 HT3 LYS 1 9.082 5.189 1.527
4 HA LYS 1 HA LYS 1 7.208 4.538 0.150
5 HB2 LYS 1 HB2 LYS 1 9.208 2.352 0.773
6 HB3 LYS 1 HB1 LYS 1 8.168 2.377 -0.647
7 HG2 LYS 1 HG2 LYS 1 9.205 4.486 -1.350
8 HG3 LYS 1 HG1 LYS 1 10.287 4.406 0.041
9 HD2 LYS 1 HD2 LYS 1 11.427 3.582 -1.930
10 HD3 LYS 1 HD1 LYS 1 11.153 2.252 -0.804
11 HE2 LYS 1 HE2 LYS 1 10.665 1.556 -3.083
12 HE3 LYS 1 HE1 LYS 1 9.199 1.556 -2.107
13 HZ1 LYS 1 HZ1 LYS 1 10.008 3.670 -4.041
14 HZ2 LYS 1 HZ2 LYS 1 8.618 3.710 -3.077
15 HZ3 LYS 1 HZ3 LYS 1 8.783 2.518 -4.270
16 H ARG 2 HN ARG 2 5.705 2.815 -0.404
17 HA ARG 2 HA ARG 2 4.350 1.850 2.006
18 HB2 ARG 2 HB2 ARG 2 3.455 1.957 -0.890
19 HB3 ARG 2 HB1 ARG 2 2.475 1.346 0.432
20 HG2 ARG 2 HG2 ARG 2 2.547 3.547 1.500
21 HG3 ARG 2 HG1 ARG 2 3.508 4.153 0.150
22 HD2 ARG 2 HD2 ARG 2 1.113 4.729 -0.035
23 HD3 ARG 2 HD1 ARG 2 1.689 3.747 -1.381
24 HE ARG 2 HE ARG 2 0.451 1.923 -0.574
25 HH11 ARG 2 HH11 ARG 2 0.077 4.764 1.432
26 HH12 ARG 2 HH12 ARG 2 -1.349 4.181 2.236
27 HH21 ARG 2 HH21 ARG 2 -1.397 1.108 0.500
28 HH22 ARG 2 HH22 ARG 2 -2.221 2.096 1.683
29 HA PRO 3 HA PRO 3 5.736 -2.330 1.520
30 HB2 PRO 3 HB2 PRO 3 3.077 -3.117 2.540
31 HB3 PRO 3 HB1 PRO 3 4.679 -3.453 3.208
32 HG2 PRO 3 HG2 PRO 3 3.030 -1.687 4.366
33 HG3 PRO 3 HG1 PRO 3 4.782 -1.416 4.317
34 HD2 PRO 3 HD2 PRO 3 2.626 -0.206 2.635
35 HD3 PRO 3 HD1 PRO 3 4.075 0.552 3.325
36 HA PRO 4 HA PRO 4 3.905 -3.331 -2.408
37 HB2 PRO 4 HB2 PRO 4 5.522 -5.774 -2.274
38 HB3 PRO 4 HB1 PRO 4 5.602 -4.437 -3.424
39 HG2 PRO 4 HG2 PRO 4 7.516 -4.835 -1.578
40 HG3 PRO 4 HG1 PRO 4 7.045 -3.212 -2.114
41 HD2 PRO 4 HD2 PRO 4 6.290 -4.673 0.389
42 HD3 PRO 4 HD1 PRO 4 6.725 -2.964 0.165
43 H GLY 5 HN GLY 5 1.827 -3.958 -2.253
44 HA2 GLY 5 HA2 GLY 5 0.138 -5.531 -2.467
45 HA3 GLY 5 HA1 GLY 5 1.297 -6.793 -2.087
46 H PHE 6 HN PHE 6 1.805 -4.759 0.338
47 HA PHE 6 HA PHE 6 -0.215 -6.089 1.999
48 HB2 PHE 6 HB2 PHE 6 2.572 -5.203 2.741
49 HB3 PHE 6 HB1 PHE 6 1.387 -5.836 3.884
50 HD1 PHE 6 HD1 PHE 6 4.146 -6.683 1.998
51 HD2 PHE 6 HD2 PHE 6 0.291 -8.148 3.040
52 HE1 PHE 6 HE1 PHE 6 4.888 -8.969 1.493
53 HE2 PHE 6 HE2 PHE 6 1.028 -10.447 2.542
54 HZ PHE 6 HZ PHE 6 3.323 -10.858 1.763
55 H SER 7 HN SER 7 -1.116 -4.919 3.774
56 HA SER 7 HA SER 7 -1.369 -2.073 3.225
57 HB2 SER 7 HB2 SER 7 -2.704 -3.735 5.376
58 HB3 SER 7 HB1 SER 7 -3.162 -2.108 4.858
59 HG SER 7 HG SER 7 -3.052 -3.943 2.812
60 HA PRO 8 HA PRO 8 1.585 -1.148 6.408
61 HB2 PRO 8 HB2 PRO 8 0.951 1.635 6.308
62 HB3 PRO 8 HB1 PRO 8 2.282 0.812 5.500
63 HG2 PRO 8 HG2 PRO 8 0.125 1.996 4.225
64 HG3 PRO 8 HG1 PRO 8 1.184 0.765 3.510
65 HD2 PRO 8 HD2 PRO 8 -1.506 0.455 4.771
66 HD3 PRO 8 HD1 PRO 8 -0.829 -0.354 3.341
67 H PHE 9 HN PHE 9 1.137 -1.561 8.413
68 HA PHE 9 HA PHE 9 -1.303 -0.643 9.669
69 HB2 PHE 9 HB2 PHE 9 0.880 -2.510 10.610
70 HB3 PHE 9 HB1 PHE 9 -0.486 -2.027 11.614
71 HD1 PHE 9 HD1 PHE 9 -2.810 -2.183 10.109
72 HD2 PHE 9 HD2 PHE 9 0.670 -4.589 9.772
73 HE1 PHE 9 HE1 PHE 9 -4.165 -3.987 9.136
74 HE2 PHE 9 HE2 PHE 9 -0.666 -6.403 8.804
75 HZ PHE 9 HZ PHE 9 -3.136 -6.050 8.429
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 8.992 3.886 1.990
2 H2 LYS 1 HT2 LYS 1 9.794 4.236 0.540
3 H3 LYS 1 HT3 LYS 1 9.577 2.622 1.019
4 HA LYS 1 HA LYS 1 7.458 4.538 0.259
5 HB2 LYS 1 HB2 LYS 1 8.747 2.197 -1.118
6 HB3 LYS 1 HB1 LYS 1 7.114 2.697 -1.532
7 HG2 LYS 1 HG2 LYS 1 9.519 4.500 -1.651
8 HG3 LYS 1 HG1 LYS 1 8.850 3.618 -3.026
9 HD2 LYS 1 HD2 LYS 1 6.693 4.781 -2.688
10 HD3 LYS 1 HD1 LYS 1 7.423 5.701 -1.368
11 HE2 LYS 1 HE2 LYS 1 7.345 6.952 -3.504
12 HE3 LYS 1 HE1 LYS 1 8.984 6.719 -2.906
13 HZ1 LYS 1 HZ1 LYS 1 7.887 4.767 -4.812
14 HZ2 LYS 1 HZ2 LYS 1 9.495 5.255 -4.575
15 HZ3 LYS 1 HZ3 LYS 1 8.408 6.269 -5.397
16 H ARG 2 HN ARG 2 5.472 2.992 -0.384
17 HA ARG 2 HA ARG 2 4.653 1.874 2.145
18 HB2 ARG 2 HB2 ARG 2 3.213 2.066 -0.508
19 HB3 ARG 2 HB1 ARG 2 2.491 1.448 0.973
20 HG2 ARG 2 HG2 ARG 2 3.505 4.248 0.510
21 HG3 ARG 2 HG1 ARG 2 1.818 3.734 0.607
22 HD2 ARG 2 HD2 ARG 2 2.144 3.033 2.912
23 HD3 ARG 2 HD1 ARG 2 3.845 3.479 2.823
24 HE ARG 2 HE ARG 2 2.121 5.674 2.215
25 HH11 ARG 2 HH11 ARG 2 3.559 3.847 4.837
26 HH12 ARG 2 HH12 ARG 2 3.388 5.138 5.996
27 HH21 ARG 2 HH21 ARG 2 1.946 7.393 3.718
28 HH22 ARG 2 HH22 ARG 2 2.477 7.146 5.360
29 HA PRO 3 HA PRO 3 5.768 -2.308 1.450
30 HB2 PRO 3 HB2 PRO 3 3.653 -3.632 2.577
31 HB3 PRO 3 HB1 PRO 3 4.942 -2.861 3.508
32 HG2 PRO 3 HG2 PRO 3 2.208 -1.849 2.856
33 HG3 PRO 3 HG1 PRO 3 3.104 -1.749 4.383
34 HD2 PRO 3 HD2 PRO 3 2.925 0.351 2.695
35 HD3 PRO 3 HD1 PRO 3 4.377 0.043 3.666
36 HA PRO 4 HA PRO 4 3.724 -3.307 -2.399
37 HB2 PRO 4 HB2 PRO 4 5.116 -5.645 -2.816
38 HB3 PRO 4 HB1 PRO 4 5.727 -4.042 -3.240
39 HG2 PRO 4 HG2 PRO 4 6.329 -5.742 -0.858
40 HG3 PRO 4 HG1 PRO 4 7.412 -4.708 -1.812
41 HD2 PRO 4 HD2 PRO 4 6.432 -3.947 0.589
42 HD3 PRO 4 HD1 PRO 4 6.755 -2.788 -0.714
43 H GLY 5 HN GLY 5 2.080 -4.678 -2.991
44 HA2 GLY 5 HA2 GLY 5 0.619 -6.497 -2.814
45 HA3 GLY 5 HA1 GLY 5 1.475 -7.010 -1.369
46 H PHE 6 HN PHE 6 1.101 -3.914 -0.764
47 HA PHE 6 HA PHE 6 -1.570 -4.222 0.409
48 HB2 PHE 6 HB2 PHE 6 0.849 -2.824 1.578
49 HB3 PHE 6 HB1 PHE 6 -0.774 -2.739 2.260
50 HD1 PHE 6 HD1 PHE 6 2.286 -4.335 2.480
51 HD2 PHE 6 HD2 PHE 6 -1.887 -5.137 2.583
52 HE1 PHE 6 HE1 PHE 6 2.718 -6.400 3.739
53 HE2 PHE 6 HE2 PHE 6 -1.469 -7.202 3.854
54 HZ PHE 6 HZ PHE 6 0.845 -7.837 4.426
55 H SER 7 HN SER 7 -2.823 -2.277 0.579
56 HA SER 7 HA SER 7 -1.980 -0.198 -1.327
57 HB2 SER 7 HB2 SER 7 -4.814 -1.110 -0.773
58 HB3 SER 7 HB1 SER 7 -4.317 0.103 -1.958
59 HG SER 7 HG SER 7 -2.907 -2.097 -2.408
60 HA PRO 8 HA PRO 8 -2.579 2.436 2.212
61 HB2 PRO 8 HB2 PRO 8 -1.913 4.741 0.678
62 HB3 PRO 8 HB1 PRO 8 -0.849 3.816 1.733
63 HG2 PRO 8 HG2 PRO 8 -0.607 3.994 -1.025
64 HG3 PRO 8 HG1 PRO 8 0.121 2.732 -0.011
65 HD2 PRO 8 HD2 PRO 8 -2.402 2.658 -1.620
66 HD3 PRO 8 HD1 PRO 8 -1.182 1.389 -1.380
67 H PHE 9 HN PHE 9 -4.509 2.967 2.827
68 HA PHE 9 HA PHE 9 -6.417 4.088 0.939
69 HB2 PHE 9 HB2 PHE 9 -6.803 2.974 3.722
70 HB3 PHE 9 HB1 PHE 9 -8.102 3.574 2.687
71 HD1 PHE 9 HD1 PHE 9 -7.777 2.592 0.169
72 HD2 PHE 9 HD2 PHE 9 -6.709 0.682 3.804
73 HE1 PHE 9 HE1 PHE 9 -7.934 0.416 -0.944
74 HE2 PHE 9 HE2 PHE 9 -6.860 -1.516 2.709
75 HZ PHE 9 HZ PHE 9 -7.478 -1.652 0.317
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 7.093 4.636 3.952
2 H2 LYS 1 HT2 LYS 1 8.743 4.613 3.562
3 H3 LYS 1 HT3 LYS 1 7.995 3.217 4.157
4 HA LYS 1 HA LYS 1 7.335 4.542 1.587
5 HB2 LYS 1 HB2 LYS 1 8.893 2.006 2.158
6 HB3 LYS 1 HB1 LYS 1 8.362 2.516 0.563
7 HG2 LYS 1 HG2 LYS 1 10.291 3.997 2.340
8 HG3 LYS 1 HG1 LYS 1 10.710 3.024 0.929
9 HD2 LYS 1 HD2 LYS 1 9.341 4.551 -0.467
10 HD3 LYS 1 HD1 LYS 1 9.072 5.559 0.955
11 HE2 LYS 1 HE2 LYS 1 11.724 4.925 -0.328
12 HE3 LYS 1 HE1 LYS 1 10.869 6.464 -0.393
13 HZ1 LYS 1 HZ1 LYS 1 11.146 6.682 1.996
14 HZ2 LYS 1 HZ2 LYS 1 12.649 6.492 1.241
15 HZ3 LYS 1 HZ3 LYS 1 11.949 5.187 2.067
16 H ARG 2 HN ARG 2 6.122 2.981 0.178
17 HA ARG 2 HA ARG 2 3.950 1.851 1.733
18 HB2 ARG 2 HB2 ARG 2 3.340 3.237 -0.155
19 HB3 ARG 2 HB1 ARG 2 4.321 2.266 -1.245
20 HG2 ARG 2 HG2 ARG 2 2.839 0.381 -0.942
21 HG3 ARG 2 HG1 ARG 2 1.893 1.296 0.237
22 HD2 ARG 2 HD2 ARG 2 0.830 1.278 -1.972
23 HD3 ARG 2 HD1 ARG 2 1.282 2.903 -1.465
24 HE ARG 2 HE ARG 2 3.320 1.708 -3.049
25 HH11 ARG 2 HH11 ARG 2 0.161 3.185 -3.289
26 HH12 ARG 2 HH12 ARG 2 0.439 3.827 -4.881
27 HH21 ARG 2 HH21 ARG 2 3.699 2.506 -5.150
28 HH22 ARG 2 HH22 ARG 2 2.476 3.465 -5.939
29 HA PRO 3 HA PRO 3 5.787 -2.207 1.352
30 HB2 PRO 3 HB2 PRO 3 3.349 -3.219 2.583
31 HB3 PRO 3 HB1 PRO 3 4.990 -3.187 3.233
32 HG2 PRO 3 HG2 PRO 3 2.985 -1.630 4.201
33 HG3 PRO 3 HG1 PRO 3 4.689 -1.141 4.234
34 HD2 PRO 3 HD2 PRO 3 2.513 -0.324 2.340
35 HD3 PRO 3 HD1 PRO 3 3.801 0.660 3.071
36 HA PRO 4 HA PRO 4 3.743 -3.422 -2.422
37 HB2 PRO 4 HB2 PRO 4 5.498 -5.789 -2.195
38 HB3 PRO 4 HB1 PRO 4 5.372 -4.596 -3.493
39 HG2 PRO 4 HG2 PRO 4 7.480 -4.634 -1.849
40 HG3 PRO 4 HG1 PRO 4 6.801 -3.111 -2.441
41 HD2 PRO 4 HD2 PRO 4 6.454 -4.418 0.229
42 HD3 PRO 4 HD1 PRO 4 6.702 -2.701 -0.162
43 H GLY 5 HN GLY 5 1.846 -4.398 -2.603
44 HA2 GLY 5 HA2 GLY 5 0.464 -6.320 -2.623
45 HA3 GLY 5 HA1 GLY 5 1.468 -7.027 -1.372
46 H PHE 6 HN PHE 6 1.163 -4.122 -0.173
47 HA PHE 6 HA PHE 6 -1.320 -4.790 1.235
48 HB2 PHE 6 HB2 PHE 6 1.076 -3.208 2.170
49 HB3 PHE 6 HB1 PHE 6 -0.409 -3.418 3.100
50 HD1 PHE 6 HD1 PHE 6 2.809 -4.601 2.642
51 HD2 PHE 6 HD2 PHE 6 -1.156 -5.973 3.322
52 HE1 PHE 6 HE1 PHE 6 3.701 -6.707 3.561
53 HE2 PHE 6 HE2 PHE 6 -0.279 -8.075 4.236
54 HZ PHE 6 HZ PHE 6 2.140 -8.455 4.348
55 H SER 7 HN SER 7 -2.955 -3.650 0.480
56 HA SER 7 HA SER 7 -2.574 -0.990 -0.601
57 HB2 SER 7 HB2 SER 7 -5.150 -2.533 -0.208
58 HB3 SER 7 HB1 SER 7 -4.894 -1.146 -1.264
59 HG SER 7 HG SER 7 -3.857 -3.776 -1.532
60 HA PRO 8 HA PRO 8 -3.882 0.982 3.147
61 HB2 PRO 8 HB2 PRO 8 -4.737 3.361 1.876
62 HB3 PRO 8 HB1 PRO 8 -3.135 3.035 2.539
63 HG2 PRO 8 HG2 PRO 8 -3.735 3.401 -0.167
64 HG3 PRO 8 HG1 PRO 8 -2.250 2.687 0.484
65 HD2 PRO 8 HD2 PRO 8 -4.678 1.341 -0.602
66 HD3 PRO 8 HD1 PRO 8 -2.971 0.864 -0.744
67 H PHE 9 HN PHE 9 -5.687 0.448 4.118
68 HA PHE 9 HA PHE 9 -8.249 0.540 2.746
69 HB2 PHE 9 HB2 PHE 9 -7.423 -0.626 5.411
70 HB3 PHE 9 HB1 PHE 9 -9.062 -0.704 4.758
71 HD1 PHE 9 HD1 PHE 9 -8.995 -1.467 2.142
72 HD2 PHE 9 HD2 PHE 9 -6.208 -2.579 5.160
73 HE1 PHE 9 HE1 PHE 9 -8.394 -3.455 0.846
74 HE2 PHE 9 HE2 PHE 9 -5.609 -4.585 3.866
75 HZ PHE 9 HZ PHE 9 -6.705 -5.025 1.704
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 8.934 5.236 2.026
2 H2 LYS 1 HT2 LYS 1 8.448 3.962 3.041
3 H3 LYS 1 HT3 LYS 1 7.396 5.257 2.735
4 HA LYS 1 HA LYS 1 7.125 4.650 0.493
5 HB2 LYS 1 HB2 LYS 1 8.223 2.647 -0.425
6 HB3 LYS 1 HB1 LYS 1 9.363 3.913 -0.002
7 HG2 LYS 1 HG2 LYS 1 9.877 2.708 2.090
8 HG3 LYS 1 HG1 LYS 1 8.786 1.419 1.581
9 HD2 LYS 1 HD2 LYS 1 10.153 1.063 -0.420
10 HD3 LYS 1 HD1 LYS 1 11.259 2.332 0.116
11 HE2 LYS 1 HE2 LYS 1 11.746 1.058 2.131
12 HE3 LYS 1 HE1 LYS 1 10.636 -0.208 1.614
13 HZ1 LYS 1 HZ1 LYS 1 12.892 -0.822 1.097
14 HZ2 LYS 1 HZ2 LYS 1 13.126 0.615 0.223
15 HZ3 LYS 1 HZ3 LYS 1 12.035 -0.556 -0.339
16 H ARG 2 HN ARG 2 5.617 3.064 -0.204
17 HA ARG 2 HA ARG 2 4.252 1.826 2.053
18 HB2 ARG 2 HB2 ARG 2 3.476 2.110 -0.856
19 HB3 ARG 2 HB1 ARG 2 2.490 1.288 0.344
20 HG2 ARG 2 HG2 ARG 2 2.367 3.402 1.626
21 HG3 ARG 2 HG1 ARG 2 3.262 4.199 0.331
22 HD2 ARG 2 HD2 ARG 2 1.484 3.611 -1.251
23 HD3 ARG 2 HD1 ARG 2 0.591 2.822 0.048
24 HE ARG 2 HE ARG 2 1.253 5.611 0.487
25 HH11 ARG 2 HH11 ARG 2 -1.125 3.329 -0.683
26 HH12 ARG 2 HH12 ARG 2 -2.465 4.411 -0.471
27 HH21 ARG 2 HH21 ARG 2 -0.523 7.045 0.786
28 HH22 ARG 2 HH22 ARG 2 -2.127 6.514 0.353
29 HA PRO 3 HA PRO 3 5.907 -2.205 1.356
30 HB2 PRO 3 HB2 PRO 3 3.398 -3.242 2.509
31 HB3 PRO 3 HB1 PRO 3 5.055 -3.408 3.098
32 HG2 PRO 3 HG2 PRO 3 3.285 -1.821 4.338
33 HG3 PRO 3 HG1 PRO 3 5.004 -1.396 4.225
34 HD2 PRO 3 HD2 PRO 3 2.687 -0.369 2.621
35 HD3 PRO 3 HD1 PRO 3 4.070 0.516 3.295
36 HA PRO 4 HA PRO 4 4.111 -3.614 -2.443
37 HB2 PRO 4 HB2 PRO 4 5.093 -6.277 -1.606
38 HB3 PRO 4 HB1 PRO 4 5.436 -5.372 -3.083
39 HG2 PRO 4 HG2 PRO 4 7.285 -5.600 -1.168
40 HG3 PRO 4 HG1 PRO 4 7.082 -4.073 -2.054
41 HD2 PRO 4 HD2 PRO 4 6.140 -4.822 0.687
42 HD3 PRO 4 HD1 PRO 4 6.838 -3.289 0.122
43 H GLY 5 HN GLY 5 2.215 -4.512 -3.082
44 HA2 GLY 5 HA2 GLY 5 0.504 -6.215 -2.918
45 HA3 GLY 5 HA1 GLY 5 0.791 -6.274 -1.184
46 H PHE 6 HN PHE 6 1.010 -3.154 -1.667
47 HA PHE 6 HA PHE 6 -1.831 -2.678 -1.213
48 HB2 PHE 6 HB2 PHE 6 0.627 -1.061 -0.567
49 HB3 PHE 6 HB1 PHE 6 -0.986 -0.362 -0.501
50 HD1 PHE 6 HD1 PHE 6 1.506 -1.813 1.370
51 HD2 PHE 6 HD2 PHE 6 -2.716 -1.921 0.873
52 HE1 PHE 6 HE1 PHE 6 1.263 -2.708 3.650
53 HE2 PHE 6 HE2 PHE 6 -2.969 -2.803 3.152
54 HZ PHE 6 HZ PHE 6 -1.066 -3.127 4.562
55 H SER 7 HN SER 7 -2.927 -2.215 -2.970
56 HA SER 7 HA SER 7 -1.733 -1.063 -5.313
57 HB2 SER 7 HB2 SER 7 -4.678 -1.401 -4.724
58 HB3 SER 7 HB1 SER 7 -3.892 -1.342 -6.303
59 HG SER 7 HG SER 7 -3.819 -3.394 -4.360
60 HA PRO 8 HA PRO 8 -2.525 3.085 -3.819
61 HB2 PRO 8 HB2 PRO 8 -1.084 4.150 -6.038
62 HB3 PRO 8 HB1 PRO 8 -0.507 3.934 -4.384
63 HG2 PRO 8 HG2 PRO 8 0.442 2.550 -6.578
64 HG3 PRO 8 HG1 PRO 8 0.600 2.021 -4.897
65 HD2 PRO 8 HD2 PRO 8 -1.398 1.188 -6.963
66 HD3 PRO 8 HD1 PRO 8 -0.555 0.201 -5.746
67 H PHE 9 HN PHE 9 -4.407 3.848 -4.128
68 HA PHE 9 HA PHE 9 -6.288 4.751 -4.992
69 HB2 PHE 9 HB2 PHE 9 -4.398 5.598 -7.194
70 HB3 PHE 9 HB1 PHE 9 -6.053 6.173 -7.019
71 HD1 PHE 9 HD1 PHE 9 -3.018 7.409 -6.742
72 HD2 PHE 9 HD2 PHE 9 -6.319 6.583 -4.197
73 HE1 PHE 9 HE1 PHE 9 -2.258 9.167 -5.196
74 HE2 PHE 9 HE2 PHE 9 -5.572 8.333 -2.651
75 HZ PHE 9 HZ PHE 9 -3.536 9.634 -3.138
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 9.125 3.272 2.216
2 H2 LYS 1 HT2 LYS 1 8.123 4.569 2.641
3 H3 LYS 1 HT3 LYS 1 9.341 4.784 1.477
4 HA LYS 1 HA LYS 1 7.213 4.619 0.401
5 HB2 LYS 1 HB2 LYS 1 8.927 2.142 0.058
6 HB3 LYS 1 HB1 LYS 1 7.695 2.672 -1.077
7 HG2 LYS 1 HG2 LYS 1 8.934 4.648 -1.601
8 HG3 LYS 1 HG1 LYS 1 10.110 4.301 -0.331
9 HD2 LYS 1 HD2 LYS 1 10.763 2.240 -1.526
10 HD3 LYS 1 HD1 LYS 1 9.599 2.632 -2.794
11 HE2 LYS 1 HE2 LYS 1 10.815 4.589 -3.408
12 HE3 LYS 1 HE1 LYS 1 11.881 4.437 -2.012
13 HZ1 LYS 1 HZ1 LYS 1 12.950 3.663 -4.037
14 HZ2 LYS 1 HZ2 LYS 1 11.716 2.525 -4.280
15 HZ3 LYS 1 HZ3 LYS 1 12.743 2.383 -2.943
16 H ARG 2 HN ARG 2 5.475 3.063 -0.274
17 HA ARG 2 HA ARG 2 4.362 1.847 2.100
18 HB2 ARG 2 HB2 ARG 2 3.310 2.188 -0.711
19 HB3 ARG 2 HB1 ARG 2 2.432 1.316 0.536
20 HG2 ARG 2 HG2 ARG 2 3.241 4.211 0.642
21 HG3 ARG 2 HG1 ARG 2 1.618 3.586 0.349
22 HD2 ARG 2 HD2 ARG 2 1.609 2.531 2.549
23 HD3 ARG 2 HD1 ARG 2 3.238 3.141 2.851
24 HE ARG 2 HE ARG 2 1.141 5.098 2.270
25 HH11 ARG 2 HH11 ARG 2 3.162 3.533 4.678
26 HH12 ARG 2 HH12 ARG 2 2.865 4.735 5.890
27 HH21 ARG 2 HH21 ARG 2 0.743 6.667 3.864
28 HH22 ARG 2 HH22 ARG 2 1.501 6.528 5.426
29 HA PRO 3 HA PRO 3 5.935 -2.233 1.360
30 HB2 PRO 3 HB2 PRO 3 3.849 -3.644 2.512
31 HB3 PRO 3 HB1 PRO 3 5.192 -2.927 3.408
32 HG2 PRO 3 HG2 PRO 3 2.424 -1.889 2.979
33 HG3 PRO 3 HG1 PRO 3 3.442 -1.818 4.431
34 HD2 PRO 3 HD2 PRO 3 3.103 0.314 2.819
35 HD3 PRO 3 HD1 PRO 3 4.640 0.000 3.651
36 HA PRO 4 HA PRO 4 4.127 -3.609 -2.436
37 HB2 PRO 4 HB2 PRO 4 4.842 -6.265 -2.245
38 HB3 PRO 4 HB1 PRO 4 5.899 -4.980 -2.831
39 HG2 PRO 4 HG2 PRO 4 5.789 -6.260 -0.140
40 HG3 PRO 4 HG1 PRO 4 7.192 -5.710 -1.074
41 HD2 PRO 4 HD2 PRO 4 6.211 -4.289 0.987
42 HD3 PRO 4 HD1 PRO 4 6.921 -3.504 -0.439
43 H GLY 5 HN GLY 5 2.315 -4.616 -3.170
44 HA2 GLY 5 HA2 GLY 5 0.567 -6.240 -3.007
45 HA3 GLY 5 HA1 GLY 5 0.773 -6.232 -1.265
46 H PHE 6 HN PHE 6 1.022 -3.213 -1.538
47 HA PHE 6 HA PHE 6 -1.857 -2.707 -1.486
48 HB2 PHE 6 HB2 PHE 6 0.425 -1.183 -0.213
49 HB3 PHE 6 HB1 PHE 6 -1.260 -0.680 -0.162
50 HD1 PHE 6 HD1 PHE 6 1.221 -2.248 1.636
51 HD2 PHE 6 HD2 PHE 6 -2.887 -2.672 0.629
52 HE1 PHE 6 HE1 PHE 6 0.873 -3.612 3.649
53 HE2 PHE 6 HE2 PHE 6 -3.247 -4.048 2.641
54 HZ PHE 6 HZ PHE 6 -1.357 -4.518 4.152
55 H SER 7 HN SER 7 -2.605 -1.852 -3.296
56 HA SER 7 HA SER 7 -0.840 -0.607 -5.183
57 HB2 SER 7 HB2 SER 7 -3.833 -1.003 -5.235
58 HB3 SER 7 HB1 SER 7 -2.857 -0.448 -6.594
59 HG SER 7 HG SER 7 -1.658 -2.467 -6.328
60 HA PRO 8 HA PRO 8 -1.762 3.506 -3.698
61 HB2 PRO 8 HB2 PRO 8 0.138 4.558 -5.557
62 HB3 PRO 8 HB1 PRO 8 0.368 4.283 -3.829
63 HG2 PRO 8 HG2 PRO 8 1.677 2.914 -5.844
64 HG3 PRO 8 HG1 PRO 8 1.501 2.341 -4.177
65 HD2 PRO 8 HD2 PRO 8 -0.083 1.629 -6.608
66 HD3 PRO 8 HD1 PRO 8 0.461 0.591 -5.274
67 H PHE 9 HN PHE 9 -3.487 4.432 -4.400
68 HA PHE 9 HA PHE 9 -4.885 5.730 -5.658
69 HB2 PHE 9 HB2 PHE 9 -3.104 5.102 -8.018
70 HB3 PHE 9 HB1 PHE 9 -4.437 6.252 -8.000
71 HD1 PHE 9 HD1 PHE 9 -1.268 6.421 -8.419
72 HD2 PHE 9 HD2 PHE 9 -4.015 7.545 -5.384
73 HE1 PHE 9 HE1 PHE 9 0.272 8.187 -7.699
74 HE2 PHE 9 HE2 PHE 9 -2.477 9.325 -4.646
75 HZ PHE 9 HZ PHE 9 -0.370 9.656 -5.737
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 9.644 4.364 -0.040
2 H2 LYS 1 HT2 LYS 1 9.426 2.920 0.827
3 H3 LYS 1 HT3 LYS 1 8.914 4.393 1.481
4 HA LYS 1 HA LYS 1 7.217 4.651 -0.125
5 HB2 LYS 1 HB2 LYS 1 8.446 2.181 -1.358
6 HB3 LYS 1 HB1 LYS 1 6.823 2.729 -1.747
7 HG2 LYS 1 HG2 LYS 1 7.681 4.805 -2.604
8 HG3 LYS 1 HG1 LYS 1 9.320 4.356 -2.124
9 HD2 LYS 1 HD2 LYS 1 9.245 2.451 -3.651
10 HD3 LYS 1 HD1 LYS 1 7.600 2.888 -4.121
11 HE2 LYS 1 HE2 LYS 1 10.007 4.674 -4.475
12 HE3 LYS 1 HE1 LYS 1 9.345 3.635 -5.736
13 HZ1 LYS 1 HZ1 LYS 1 7.910 5.866 -4.384
14 HZ2 LYS 1 HZ2 LYS 1 7.250 4.863 -5.581
15 HZ3 LYS 1 HZ3 LYS 1 8.539 5.900 -5.960
16 H ARG 2 HN ARG 2 5.326 2.914 -0.519
17 HA ARG 2 HA ARG 2 4.693 1.893 2.107
18 HB2 ARG 2 HB2 ARG 2 2.470 1.392 1.074
19 HB3 ARG 2 HB1 ARG 2 2.963 3.069 0.878
20 HG2 ARG 2 HG2 ARG 2 3.756 2.491 -1.415
21 HG3 ARG 2 HG1 ARG 2 3.022 0.899 -1.202
22 HD2 ARG 2 HD2 ARG 2 0.841 1.933 -0.879
23 HD3 ARG 2 HD1 ARG 2 1.567 3.534 -1.022
24 HE ARG 2 HE ARG 2 2.014 1.809 -3.290
25 HH11 ARG 2 HH11 ARG 2 -0.092 4.230 -1.845
26 HH12 ARG 2 HH12 ARG 2 -0.799 4.691 -3.371
27 HH21 ARG 2 HH21 ARG 2 1.086 2.418 -5.261
28 HH22 ARG 2 HH22 ARG 2 -0.120 3.679 -5.307
29 HA PRO 3 HA PRO 3 5.716 -2.367 1.556
30 HB2 PRO 3 HB2 PRO 3 3.040 -3.104 2.561
31 HB3 PRO 3 HB1 PRO 3 4.627 -3.498 3.222
32 HG2 PRO 3 HG2 PRO 3 3.039 -1.714 4.415
33 HG3 PRO 3 HG1 PRO 3 4.802 -1.489 4.350
34 HD2 PRO 3 HD2 PRO 3 2.662 -0.187 2.705
35 HD3 PRO 3 HD1 PRO 3 4.132 0.520 3.411
36 HA PRO 4 HA PRO 4 3.849 -3.276 -2.390
37 HB2 PRO 4 HB2 PRO 4 5.513 -5.676 -2.405
38 HB3 PRO 4 HB1 PRO 4 5.625 -4.242 -3.429
39 HG2 PRO 4 HG2 PRO 4 7.472 -4.839 -1.539
40 HG3 PRO 4 HG1 PRO 4 7.072 -3.175 -2.000
41 HD2 PRO 4 HD2 PRO 4 6.177 -4.748 0.384
42 HD3 PRO 4 HD1 PRO 4 6.670 -3.045 0.269
43 H GLY 5 HN GLY 5 1.827 -4.020 -2.342
44 HA2 GLY 5 HA2 GLY 5 0.256 -5.691 -2.657
45 HA3 GLY 5 HA1 GLY 5 1.425 -6.879 -2.110
46 H PHE 6 HN PHE 6 1.659 -4.751 0.241
47 HA PHE 6 HA PHE 6 -0.269 -6.197 1.880
48 HB2 PHE 6 HB2 PHE 6 2.006 -4.362 2.649
49 HB3 PHE 6 HB1 PHE 6 0.935 -5.165 3.796
50 HD1 PHE 6 HD1 PHE 6 4.045 -5.365 2.278
51 HD2 PHE 6 HD2 PHE 6 0.708 -7.802 3.309
52 HE1 PHE 6 HE1 PHE 6 5.485 -7.359 2.212
53 HE2 PHE 6 HE2 PHE 6 2.150 -9.801 3.265
54 HZ PHE 6 HZ PHE 6 4.540 -9.578 2.710
55 H SER 7 HN SER 7 -2.179 -5.359 2.248
56 HA SER 7 HA SER 7 -2.582 -2.481 1.836
57 HB2 SER 7 HB2 SER 7 -4.631 -4.692 2.110
58 HB3 SER 7 HB1 SER 7 -4.948 -3.017 1.647
59 HG SER 7 HG SER 7 -3.044 -3.941 0.053
60 HA PRO 8 HA PRO 8 -2.905 -2.331 6.324
61 HB2 PRO 8 HB2 PRO 8 -2.362 0.450 6.250
62 HB3 PRO 8 HB1 PRO 8 -1.232 -0.845 6.650
63 HG2 PRO 8 HG2 PRO 8 -1.077 0.794 4.401
64 HG3 PRO 8 HG1 PRO 8 -0.257 -0.764 4.592
65 HD2 PRO 8 HD2 PRO 8 -2.817 -0.128 3.192
66 HD3 PRO 8 HD1 PRO 8 -1.532 -1.259 2.717
67 H PHE 9 HN PHE 9 -4.847 -2.287 7.088
68 HA PHE 9 HA PHE 9 -6.968 -1.729 7.659
69 HB2 PHE 9 HB2 PHE 9 -5.831 1.015 7.159
70 HB3 PHE 9 HB1 PHE 9 -7.419 0.727 7.877
71 HD1 PHE 9 HD1 PHE 9 -7.578 -0.663 9.915
72 HD2 PHE 9 HD2 PHE 9 -3.897 0.876 8.470
73 HE1 PHE 9 HE1 PHE 9 -6.570 -1.038 12.109
74 HE2 PHE 9 HE2 PHE 9 -2.867 0.520 10.676
75 HZ PHE 9 HZ PHE 9 -4.209 -0.444 12.510
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 9.247 5.143 1.139
2 H2 LYS 1 HT2 LYS 1 9.191 3.830 2.212
3 H3 LYS 1 HT3 LYS 1 7.938 4.973 2.205
4 HA LYS 1 HA LYS 1 7.388 4.331 -0.083
5 HB2 LYS 1 HB2 LYS 1 9.409 2.155 0.471
6 HB3 LYS 1 HB1 LYS 1 8.311 2.181 -0.902
7 HG2 LYS 1 HG2 LYS 1 9.348 4.246 -1.695
8 HG3 LYS 1 HG1 LYS 1 10.463 4.209 -0.327
9 HD2 LYS 1 HD2 LYS 1 11.379 2.085 -1.108
10 HD3 LYS 1 HD1 LYS 1 10.225 2.067 -2.442
11 HE2 LYS 1 HE2 LYS 1 12.369 4.147 -2.012
12 HE3 LYS 1 HE1 LYS 1 12.455 2.805 -3.151
13 HZ1 LYS 1 HZ1 LYS 1 11.765 4.652 -4.389
14 HZ2 LYS 1 HZ2 LYS 1 10.641 5.139 -3.222
15 HZ3 LYS 1 HZ3 LYS 1 10.360 3.739 -4.146
16 H ARG 2 HN ARG 2 5.583 3.116 -0.261
17 HA ARG 2 HA ARG 2 4.537 1.906 2.125
18 HB2 ARG 2 HB2 ARG 2 3.418 1.994 -0.687
19 HB3 ARG 2 HB1 ARG 2 2.538 1.453 0.733
20 HG2 ARG 2 HG2 ARG 2 2.783 3.712 1.702
21 HG3 ARG 2 HG1 ARG 2 3.556 4.233 0.204
22 HD2 ARG 2 HD2 ARG 2 1.245 4.862 0.122
23 HD3 ARG 2 HD1 ARG 2 1.511 3.553 -1.030
24 HE ARG 2 HE ARG 2 0.675 2.477 1.445
25 HH11 ARG 2 HH11 ARG 2 -0.568 4.257 -1.313
26 HH12 ARG 2 HH12 ARG 2 -2.214 3.759 -1.048
27 HH21 ARG 2 HH21 ARG 2 -1.459 1.769 1.758
28 HH22 ARG 2 HH22 ARG 2 -2.714 2.296 0.680
29 HA PRO 3 HA PRO 3 5.795 -2.277 1.383
30 HB2 PRO 3 HB2 PRO 3 3.296 -3.153 2.666
31 HB3 PRO 3 HB1 PRO 3 4.968 -3.367 3.197
32 HG2 PRO 3 HG2 PRO 3 3.271 -1.686 4.448
33 HG3 PRO 3 HG1 PRO 3 5.009 -1.355 4.316
34 HD2 PRO 3 HD2 PRO 3 2.733 -0.225 2.727
35 HD3 PRO 3 HD1 PRO 3 4.174 0.590 3.373
36 HA PRO 4 HA PRO 4 3.439 -3.263 -2.294
37 HB2 PRO 4 HB2 PRO 4 5.009 -5.288 -3.149
38 HB3 PRO 4 HB1 PRO 4 5.500 -3.593 -3.261
39 HG2 PRO 4 HG2 PRO 4 6.267 -5.652 -1.219
40 HG3 PRO 4 HG1 PRO 4 7.287 -4.462 -2.053
41 HD2 PRO 4 HD2 PRO 4 6.343 -4.096 0.471
42 HD3 PRO 4 HD1 PRO 4 6.666 -2.762 -0.654
43 H GLY 5 HN GLY 5 2.063 -4.897 -3.040
44 HA2 GLY 5 HA2 GLY 5 1.259 -7.149 -2.972
45 HA3 GLY 5 HA1 GLY 5 1.799 -7.258 -1.307
46 H PHE 6 HN PHE 6 0.472 -4.345 -1.345
47 HA PHE 6 HA PHE 6 -2.067 -5.361 -0.358
48 HB2 PHE 6 HB2 PHE 6 -0.720 -2.672 -0.151
49 HB3 PHE 6 HB1 PHE 6 -2.376 -2.946 0.379
50 HD1 PHE 6 HD1 PHE 6 0.912 -2.781 1.458
51 HD2 PHE 6 HD2 PHE 6 -2.611 -5.122 1.925
52 HE1 PHE 6 HE1 PHE 6 1.741 -3.600 3.633
53 HE2 PHE 6 HE2 PHE 6 -1.797 -5.929 4.100
54 HZ PHE 6 HZ PHE 6 0.384 -5.166 4.952
55 H SER 7 HN SER 7 -3.894 -5.258 -1.475
56 HA SER 7 HA SER 7 -3.939 -3.752 -3.984
57 HB2 SER 7 HB2 SER 7 -5.922 -5.779 -2.920
58 HB3 SER 7 HB1 SER 7 -5.842 -5.141 -4.563
59 HG SER 7 HG SER 7 -4.561 -6.764 -4.921
60 HA PRO 8 HA PRO 8 -6.616 -0.816 -2.024
61 HB2 PRO 8 HB2 PRO 8 -7.132 0.508 -4.487
62 HB3 PRO 8 HB1 PRO 8 -5.921 0.934 -3.281
63 HG2 PRO 8 HG2 PRO 8 -5.380 0.000 -5.840
64 HG3 PRO 8 HG1 PRO 8 -4.238 -0.008 -4.484
65 HD2 PRO 8 HD2 PRO 8 -5.956 -2.216 -5.538
66 HD3 PRO 8 HD1 PRO 8 -4.289 -2.278 -4.923
67 H PHE 9 HN PHE 9 -8.548 -1.359 -1.447
68 HA PHE 9 HA PHE 9 -10.708 -2.077 -1.422
69 HB2 PHE 9 HB2 PHE 9 -10.737 -0.210 -3.797
70 HB3 PHE 9 HB1 PHE 9 -12.188 -0.824 -3.001
71 HD1 PHE 9 HD1 PHE 9 -10.296 1.920 -3.270
72 HD2 PHE 9 HD2 PHE 9 -11.826 -0.640 -0.250
73 HE1 PHE 9 HE1 PHE 9 -10.137 3.753 -1.650
74 HE2 PHE 9 HE2 PHE 9 -11.678 1.194 1.388
75 HZ PHE 9 HZ PHE 9 -10.914 3.318 0.771