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 |
|
|
579111 |
2mq4   |
25011 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 3.141 -0.044 -0.986
3 HB2 ARG 1 2HB ARG 1 0.660 -1.285 -2.174
4 HB3 ARG 1 3HB ARG 1 2.163 -1.107 -3.069
5 HG2 ARG 1 2HG ARG 1 3.260 -2.405 -1.178
6 HG3 ARG 1 3HG ARG 1 1.621 -2.801 -0.656
7 HD2 ARG 1 2HD ARG 1 1.424 -4.363 -2.228
8 HD3 ARG 1 3HD ARG 1 1.932 -3.238 -3.487
9 HE ARG 1 HE ARG 1 4.203 -4.042 -2.077
10 HH11 ARG 1 1HH1 ARG 1 1.787 -5.400 -4.183
11 HH12 ARG 1 2HH1 ARG 1 2.842 -6.616 -4.824
12 HH21 ARG 1 1HH2 ARG 1 5.602 -5.639 -2.913
13 HH22 ARG 1 2HH2 ARG 1 5.011 -6.751 -4.100
14 H LEU 2 H LEU 2 1.703 2.340 -0.354
15 HA LEU 2 HA LEU 2 1.162 3.480 -3.009
16 HB2 LEU 2 2HB LEU 2 0.306 5.426 -1.497
17 HB3 LEU 2 3HB LEU 2 -0.687 3.995 -1.765
18 HG LEU 2 HG LEU 2 -0.066 3.127 0.418
19 HD11 LEU 2 1HD1 LEU 2 1.597 5.630 0.639
20 HD12 LEU 2 2HD1 LEU 2 2.180 3.967 0.609
21 HD13 LEU 2 3HD1 LEU 2 1.230 4.543 1.979
22 HD21 LEU 2 3HD2 LEU 2 -0.882 6.005 0.743
23 HD22 LEU 2 1HD2 LEU 2 -1.319 4.625 1.752
24 HD23 LEU 2 2HD2 LEU 2 -1.966 4.762 0.116
25 H TYR 3 H TYR 3 3.766 3.113 -2.695
26 HA TYR 3 HA TYR 3 4.775 5.835 -2.308
27 HB2 TYR 3 2HB TYR 3 6.837 4.850 -1.222
28 HB3 TYR 3 3HB TYR 3 5.377 4.816 -0.240
29 HD1 TYR 3 HD2 TYR 3 7.557 2.730 -2.396
30 HD2 TYR 3 HD1 TYR 3 4.524 2.782 0.587
31 HE1 TYR 3 HE2 TYR 3 7.833 0.307 -2.082
32 HE2 TYR 3 HE1 TYR 3 4.793 0.358 0.910
33 HH TYR 3 HH TYR 3 6.864 -1.556 -1.180
34 H ARG 4 H ARG 4 5.685 6.442 -4.146
35 HA ARG 4 HA ARG 4 6.432 4.570 -6.172
36 HB2 ARG 4 2HB ARG 4 6.966 6.483 -7.514
37 HB3 ARG 4 3HB ARG 4 5.496 6.846 -6.620
38 HG2 ARG 4 2HG ARG 4 7.363 7.826 -4.929
39 HG3 ARG 4 3HG ARG 4 8.148 8.094 -6.487
40 HD2 ARG 4 2HD ARG 4 5.593 8.920 -6.986
41 HD3 ARG 4 3HD ARG 4 5.807 9.396 -5.302
42 HE ARG 4 HE ARG 4 7.097 10.535 -7.607
43 HH11 ARG 4 1HH1 ARG 4 7.278 10.046 -4.165
44 HH12 ARG 4 2HH1 ARG 4 8.306 11.413 -3.893
45 HH21 ARG 4 1HH2 ARG 4 8.451 12.338 -7.261
46 HH22 ARG 4 2HH2 ARG 4 8.972 12.717 -5.655
47 H ARG 5 H ARG 5 7.886 4.117 -3.795
48 HA ARG 5 HA ARG 5 10.487 5.244 -3.904
49 HB2 ARG 5 2HB ARG 5 10.974 3.924 -2.090
50 HB3 ARG 5 3HB ARG 5 9.219 3.940 -1.990
51 HG2 ARG 5 2HG ARG 5 9.144 1.777 -3.145
52 HG3 ARG 5 3HG ARG 5 10.908 1.760 -3.198
53 HD2 ARG 5 2HD ARG 5 9.425 2.049 -0.607
54 HD3 ARG 5 3HD ARG 5 9.727 0.464 -1.316
55 HE ARG 5 HE ARG 5 12.130 1.936 -1.193
56 HH11 ARG 5 1HH1 ARG 5 9.859 0.263 0.847
57 HH12 ARG 5 2HH1 ARG 5 11.036 -0.130 2.056
58 HH21 ARG 5 1HH2 ARG 5 13.689 1.424 0.392
59 HH22 ARG 5 2HH2 ARG 5 13.214 0.532 1.797
60 H ARG 6 H ARG 6 9.149 2.149 -5.022
61 HA ARG 6 HA ARG 6 11.660 1.364 -6.212
62 HB2 ARG 6 2HB ARG 6 8.909 0.114 -6.314
63 HB3 ARG 6 3HB ARG 6 10.350 -0.598 -7.028
64 HG2 ARG 6 2HG ARG 6 10.139 0.073 -4.107
65 HG3 ARG 6 3HG ARG 6 9.668 -1.491 -4.777
66 HD2 ARG 6 2HD ARG 6 12.125 -1.200 -5.865
67 HD3 ARG 6 3HD ARG 6 12.342 -0.338 -4.343
68 HE ARG 6 HE ARG 6 12.255 -2.340 -3.239
69 HH11 ARG 6 1HH1 ARG 6 11.008 -2.761 -6.462
70 HH12 ARG 6 2HH1 ARG 6 10.900 -4.485 -6.336
71 HH21 ARG 6 1HH2 ARG 6 12.119 -4.610 -3.061
72 HH22 ARG 6 2HH2 ARG 6 11.532 -5.536 -4.400
73 H PHE 7 H PHE 7 8.380 1.837 -7.541
74 HA PHE 7 HA PHE 7 9.599 3.028 -9.930
75 HB2 PHE 7 2HB PHE 7 7.956 1.778 -11.340
76 HB3 PHE 7 3HB PHE 7 9.151 0.746 -10.561
77 HD1 PHE 7 HD1 PHE 7 8.149 0.338 -7.908
78 HD2 PHE 7 HD2 PHE 7 6.002 0.596 -11.574
79 HE1 PHE 7 HE1 PHE 7 6.343 -1.026 -6.942
80 HE2 PHE 7 HE2 PHE 7 4.192 -0.766 -10.613
81 HZ PHE 7 HZ PHE 7 4.361 -1.578 -8.294
82 H VAL 8 H VAL 8 6.250 2.131 -9.200
83 HA VAL 8 HA VAL 8 5.569 4.987 -9.021
84 HB VAL 8 HB VAL 8 4.267 4.943 -10.821
85 HG11 VAL 8 1HG1 VAL 8 5.509 2.229 -11.064
86 HG12 VAL 8 2HG1 VAL 8 4.355 2.806 -12.268
87 HG13 VAL 8 3HG1 VAL 8 5.850 3.697 -11.979
88 HG21 VAL 8 3HG2 VAL 8 2.523 3.067 -11.085
89 HG22 VAL 8 1HG2 VAL 8 3.065 2.539 -9.492
90 HG23 VAL 8 2HG2 VAL 8 2.380 4.151 -9.701
91 H VAL 9 H VAL 9 5.686 2.253 -7.366
92 HA VAL 9 HA VAL 9 3.267 1.554 -6.347
93 HB VAL 9 HB VAL 9 4.844 1.775 -4.053
94 HG11 VAL 9 1HG1 VAL 9 5.372 -0.694 -4.727
95 HG12 VAL 9 2HG1 VAL 9 3.717 -0.212 -4.348
96 HG13 VAL 9 3HG1 VAL 9 4.226 -0.374 -6.029
97 HG21 VAL 9 3HG2 VAL 9 6.689 0.719 -6.127
98 HG22 VAL 9 1HG2 VAL 9 6.578 2.468 -5.933
99 HG23 VAL 9 2HG2 VAL 9 7.045 1.457 -4.566
100 H GLY 10 H GLY 10 4.373 4.669 -6.465
101 HA2 GLY 10 2HA GLY 10 3.879 5.987 -4.170
102 HA3 GLY 10 3HA GLY 10 3.328 6.600 -5.723
103 H ARG 11 H ARG 11 1.514 4.214 -5.987
104 HA ARG 11 HA ARG 11 -0.521 5.003 -4.010
105 HB2 ARG 11 2HB ARG 11 -1.893 4.211 -6.324
106 HB3 ARG 11 3HB ARG 11 -1.770 5.835 -5.661
107 HG2 ARG 11 2HG ARG 11 -0.091 6.450 -7.124
108 HG3 ARG 11 3HG ARG 11 0.383 4.780 -7.440
109 HD2 ARG 11 2HD ARG 11 -1.020 4.631 -9.162
110 HD3 ARG 11 3HD ARG 11 -2.362 5.242 -8.197
111 HE ARG 11 HE ARG 11 -0.813 6.702 -10.093
112 HH11 ARG 11 1HH1 ARG 11 -2.591 6.990 -7.114
113 HH12 ARG 11 2HH1 ARG 11 -2.950 8.670 -7.338
114 HH21 ARG 11 1HH2 ARG 11 -1.279 8.914 -10.400
115 HH22 ARG 11 2HH2 ARG 11 -2.203 9.763 -9.208
Start of MODEL 2
1 H1 ARG 1 H ARG 1 2.195 -0.831 0.645
2 HA ARG 1 HA ARG 1 3.667 -0.146 -1.098
3 HB2 ARG 1 2HB ARG 1 2.624 -1.182 -3.178
4 HB3 ARG 1 3HB ARG 1 2.764 -2.221 -1.766
5 HG2 ARG 1 2HG ARG 1 0.422 -1.903 -1.256
6 HG3 ARG 1 3HG ARG 1 0.261 -0.771 -2.600
7 HD2 ARG 1 2HD ARG 1 -0.422 -2.592 -3.731
8 HD3 ARG 1 3HD ARG 1 1.306 -2.912 -3.875
9 HE ARG 1 HE ARG 1 0.165 -4.020 -1.495
10 HH11 ARG 1 1HH1 ARG 1 0.661 -4.529 -4.903
11 HH12 ARG 1 2HH1 ARG 1 0.559 -6.255 -4.793
12 HH21 ARG 1 1HH2 ARG 1 0.028 -6.292 -1.337
13 HH22 ARG 1 2HH2 ARG 1 0.198 -7.257 -2.764
14 H LEU 2 H LEU 2 2.215 2.174 -0.352
15 HA LEU 2 HA LEU 2 1.500 3.353 -2.949
16 HB2 LEU 2 2HB LEU 2 0.357 5.085 -1.693
17 HB3 LEU 2 3HB LEU 2 -0.230 3.487 -1.238
18 HG LEU 2 HG LEU 2 1.881 4.768 0.432
19 HD11 LEU 2 1HD1 LEU 2 -0.007 5.773 1.787
20 HD12 LEU 2 2HD1 LEU 2 -1.018 5.556 0.359
21 HD13 LEU 2 3HD1 LEU 2 0.404 6.596 0.282
22 HD21 LEU 2 3HD2 LEU 2 1.452 2.746 1.349
23 HD22 LEU 2 1HD2 LEU 2 -0.171 2.657 0.666
24 HD23 LEU 2 2HD2 LEU 2 0.126 3.628 2.108
25 H TYR 3 H TYR 3 4.141 3.047 -2.710
26 HA TYR 3 HA TYR 3 5.071 5.800 -2.362
27 HB2 TYR 3 2HB TYR 3 7.191 4.884 -1.317
28 HB3 TYR 3 3HB TYR 3 5.756 4.834 -0.299
29 HD1 TYR 3 HD1 TYR 3 7.922 2.758 -2.483
30 HD2 TYR 3 HD2 TYR 3 4.979 2.797 0.590
31 HE1 TYR 3 HE1 TYR 3 8.261 0.347 -2.135
32 HE2 TYR 3 HE2 TYR 3 5.311 0.387 0.947
33 HH TYR 3 HH TYR 3 7.719 -1.264 0.237
34 H ARG 4 H ARG 4 5.935 6.421 -4.216
35 HA ARG 4 HA ARG 4 6.686 4.559 -6.249
36 HB2 ARG 4 2HB ARG 4 7.144 6.476 -7.610
37 HB3 ARG 4 3HB ARG 4 5.691 6.817 -6.680
38 HG2 ARG 4 2HG ARG 4 7.513 7.869 -5.029
39 HG3 ARG 4 3HG ARG 4 8.358 8.072 -6.565
40 HD2 ARG 4 2HD ARG 4 7.025 9.751 -7.167
41 HD3 ARG 4 3HD ARG 4 5.576 8.821 -6.785
42 HE ARG 4 HE ARG 4 6.621 9.646 -4.368
43 HH11 ARG 4 1HH1 ARG 4 5.402 11.146 -7.263
44 HH12 ARG 4 2HH1 ARG 4 4.830 12.562 -6.445
45 HH21 ARG 4 1HH2 ARG 4 5.872 11.505 -3.279
46 HH22 ARG 4 2HH2 ARG 4 5.098 12.766 -4.179
47 H ARG 5 H ARG 5 8.196 4.162 -3.890
48 HA ARG 5 HA ARG 5 10.769 5.341 -4.060
49 HB2 ARG 5 2HB ARG 5 11.320 4.046 -2.248
50 HB3 ARG 5 3HB ARG 5 9.567 4.020 -2.115
51 HG2 ARG 5 2HG ARG 5 9.523 1.849 -3.255
52 HG3 ARG 5 3HG ARG 5 11.285 1.874 -3.343
53 HD2 ARG 5 2HD ARG 5 9.854 2.148 -0.723
54 HD3 ARG 5 3HD ARG 5 10.167 0.563 -1.429
55 HE ARG 5 HE ARG 5 12.521 2.168 -1.313
56 HH11 ARG 5 1HH1 ARG 5 10.421 0.130 0.572
57 HH12 ARG 5 2HH1 ARG 5 11.654 -0.317 1.704
58 HH21 ARG 5 1HH2 ARG 5 14.154 1.588 0.171
59 HH22 ARG 5 2HH2 ARG 5 13.777 0.514 1.476
60 H ARG 6 H ARG 6 9.480 2.209 -5.130
61 HA ARG 6 HA ARG 6 11.983 1.472 -6.367
62 HB2 ARG 6 2HB ARG 6 9.260 0.162 -6.397
63 HB3 ARG 6 3HB ARG 6 10.695 -0.521 -7.149
64 HG2 ARG 6 2HG ARG 6 10.538 0.149 -4.224
65 HG3 ARG 6 3HG ARG 6 10.106 -1.430 -4.885
66 HD2 ARG 6 2HD ARG 6 12.725 -0.326 -5.696
67 HD3 ARG 6 3HD ARG 6 12.567 -0.816 -4.010
68 HE ARG 6 HE ARG 6 12.720 -2.530 -6.294
69 HH11 ARG 6 1HH1 ARG 6 11.461 -2.235 -3.062
70 HH12 ARG 6 2HH1 ARG 6 11.400 -3.945 -2.790
71 HH21 ARG 6 1HH2 ARG 6 12.644 -4.783 -5.948
72 HH22 ARG 6 2HH2 ARG 6 12.074 -5.394 -4.432
73 H PHE 7 H PHE 7 8.667 1.862 -7.633
74 HA PHE 7 HA PHE 7 9.811 3.067 -10.052
75 HB2 PHE 7 2HB PHE 7 8.172 1.768 -11.423
76 HB3 PHE 7 3HB PHE 7 9.409 0.772 -10.664
77 HD1 PHE 7 HD2 PHE 7 8.473 0.351 -7.989
78 HD2 PHE 7 HD1 PHE 7 6.245 0.536 -11.611
79 HE1 PHE 7 HE2 PHE 7 6.722 -1.054 -6.980
80 HE2 PHE 7 HE1 PHE 7 4.491 -0.868 -10.608
81 HZ PHE 7 HZ PHE 7 4.729 -1.666 -8.290
82 H VAL 8 H VAL 8 6.501 2.091 -9.247
83 HA VAL 8 HA VAL 8 5.751 4.930 -9.075
84 HB VAL 8 HB VAL 8 4.413 4.840 -10.846
85 HG11 VAL 8 1HG1 VAL 8 5.721 2.157 -11.099
86 HG12 VAL 8 2HG1 VAL 8 4.530 2.699 -12.284
87 HG13 VAL 8 3HG1 VAL 8 6.007 3.629 -12.028
88 HG21 VAL 8 3HG2 VAL 8 2.715 2.916 -11.064
89 HG22 VAL 8 1HG2 VAL 8 3.303 2.414 -9.479
90 HG23 VAL 8 2HG2 VAL 8 2.571 4.006 -9.684
91 H VAL 9 H VAL 9 5.970 2.211 -7.405
92 HA VAL 9 HA VAL 9 3.590 1.460 -6.331
93 HB VAL 9 HB VAL 9 5.212 1.735 -4.073
94 HG11 VAL 9 1HG1 VAL 9 5.782 -0.728 -4.752
95 HG12 VAL 9 2HG1 VAL 9 4.131 -0.280 -4.318
96 HG13 VAL 9 3HG1 VAL 9 4.586 -0.440 -6.015
97 HG21 VAL 9 3HG2 VAL 9 7.033 0.703 -6.181
98 HG22 VAL 9 1HG2 VAL 9 6.887 2.451 -5.997
99 HG23 VAL 9 2HG2 VAL 9 7.407 1.461 -4.633
100 H GLY 10 H GLY 10 4.617 4.600 -6.493
101 HA2 GLY 10 2HA GLY 10 4.144 5.925 -4.199
102 HA3 GLY 10 3HA GLY 10 3.536 6.508 -5.742
103 H ARG 11 H ARG 11 1.775 4.086 -5.950
104 HA ARG 11 HA ARG 11 -0.223 4.825 -3.918
105 HB2 ARG 11 2HB ARG 11 -1.638 4.001 -6.195
106 HB3 ARG 11 3HB ARG 11 -1.537 5.627 -5.533
107 HG2 ARG 11 2HG ARG 11 0.084 6.285 -7.041
108 HG3 ARG 11 3HG ARG 11 0.593 4.628 -7.371
109 HD2 ARG 11 2HD ARG 11 -0.854 4.438 -9.052
110 HD3 ARG 11 3HD ARG 11 -2.184 5.023 -8.054
111 HE ARG 11 HE ARG 11 -0.719 6.509 -9.995
112 HH11 ARG 11 1HH1 ARG 11 -2.419 6.770 -6.968
113 HH12 ARG 11 2HH1 ARG 11 -2.819 8.442 -7.187
114 HH21 ARG 11 1HH2 ARG 11 -1.239 8.710 -10.295
115 HH22 ARG 11 2HH2 ARG 11 -2.148 9.544 -9.080
Start of MODEL 3
1 H1 ARG 1 H ARG 1 2.074 0.094 1.001
2 HA ARG 1 HA ARG 1 3.319 -0.007 -0.900
3 HB2 ARG 1 2HB ARG 1 1.250 -1.802 -1.300
4 HB3 ARG 1 3HB ARG 1 1.203 -0.802 -2.745
5 HG2 ARG 1 2HG ARG 1 3.846 -1.283 -2.596
6 HG3 ARG 1 3HG ARG 1 3.214 -2.755 -1.856
7 HD2 ARG 1 2HD ARG 1 2.252 -1.674 -4.497
8 HD3 ARG 1 3HD ARG 1 3.554 -2.853 -4.347
9 HE ARG 1 HE ARG 1 1.279 -3.766 -2.957
10 HH11 ARG 1 1HH1 ARG 1 2.457 -3.262 -6.194
11 HH12 ARG 1 2HH1 ARG 1 1.482 -4.517 -6.884
12 HH21 ARG 1 1HH2 ARG 1 -0.009 -5.420 -3.853
13 HH22 ARG 1 2HH2 ARG 1 0.079 -5.744 -5.551
14 H LEU 2 H LEU 2 1.913 2.412 -0.202
15 HA LEU 2 HA LEU 2 1.355 3.573 -2.844
16 HB2 LEU 2 2HB LEU 2 0.544 5.522 -1.312
17 HB3 LEU 2 3HB LEU 2 -0.471 4.106 -1.576
18 HG LEU 2 HG LEU 2 0.171 3.215 0.594
19 HD11 LEU 2 1HD1 LEU 2 1.778 5.744 0.926
20 HD12 LEU 2 2HD1 LEU 2 2.447 4.134 0.664
21 HD13 LEU 2 3HD1 LEU 2 1.542 4.484 2.136
22 HD21 LEU 2 3HD2 LEU 2 -1.570 5.217 0.152
23 HD22 LEU 2 1HD2 LEU 2 -0.512 5.987 1.334
24 HD23 LEU 2 2HD2 LEU 2 -1.321 4.471 1.731
25 H TYR 3 H TYR 3 3.957 3.172 -2.567
26 HA TYR 3 HA TYR 3 5.007 5.877 -2.176
27 HB2 TYR 3 2HB TYR 3 7.070 4.859 -1.123
28 HB3 TYR 3 3HB TYR 3 5.622 4.837 -0.123
29 HD1 TYR 3 HD2 TYR 3 7.749 2.739 -2.320
30 HD2 TYR 3 HD1 TYR 3 4.754 2.807 0.702
31 HE1 TYR 3 HE2 TYR 3 7.998 0.310 -2.027
32 HE2 TYR 3 HE1 TYR 3 4.996 0.378 1.004
33 HH TYR 3 HH TYR 3 6.388 -1.402 0.566
34 H ARG 4 H ARG 4 5.900 6.484 -4.022
35 HA ARG 4 HA ARG 4 6.596 4.616 -6.070
36 HB2 ARG 4 2HB ARG 4 7.136 6.531 -7.407
37 HB3 ARG 4 3HB ARG 4 5.683 6.907 -6.491
38 HG2 ARG 4 2HG ARG 4 7.634 7.832 -4.831
39 HG3 ARG 4 3HG ARG 4 8.325 8.151 -6.423
40 HD2 ARG 4 2HD ARG 4 5.752 8.978 -6.763
41 HD3 ARG 4 3HD ARG 4 6.036 9.390 -5.072
42 HE ARG 4 HE ARG 4 7.095 10.720 -7.342
43 HH11 ARG 4 1HH1 ARG 4 7.875 9.766 -4.087
44 HH12 ARG 4 2HH1 ARG 4 9.009 11.052 -3.842
45 HH21 ARG 4 1HH2 ARG 4 8.586 12.419 -7.032
46 HH22 ARG 4 2HH2 ARG 4 9.412 12.562 -5.518
47 H ARG 5 H ARG 5 8.075 4.131 -3.714
48 HA ARG 5 HA ARG 5 10.689 5.226 -3.850
49 HB2 ARG 5 2HB ARG 5 11.184 3.888 -2.052
50 HB3 ARG 5 3HB ARG 5 9.430 3.925 -1.928
51 HG2 ARG 5 2HG ARG 5 9.313 1.771 -3.097
52 HG3 ARG 5 3HG ARG 5 11.076 1.732 -3.173
53 HD2 ARG 5 2HD ARG 5 9.629 2.023 -0.562
54 HD3 ARG 5 3HD ARG 5 9.902 0.438 -1.285
55 HE ARG 5 HE ARG 5 12.362 1.623 -1.280
56 HH11 ARG 5 1HH1 ARG 5 9.960 0.917 1.139
57 HH12 ARG 5 2HH1 ARG 5 11.115 0.727 2.417
58 HH21 ARG 5 1HH2 ARG 5 13.892 1.375 0.394
59 HH22 ARG 5 2HH2 ARG 5 13.351 0.989 1.992
60 H ARG 6 H ARG 6 9.298 2.156 -4.972
61 HA ARG 6 HA ARG 6 11.784 1.348 -6.200
62 HB2 ARG 6 2HB ARG 6 9.017 0.132 -6.274
63 HB3 ARG 6 3HB ARG 6 10.440 -0.592 -7.011
64 HG2 ARG 6 2HG ARG 6 10.276 0.063 -4.084
65 HG3 ARG 6 3HG ARG 6 9.774 -1.490 -4.756
66 HD2 ARG 6 2HD ARG 6 12.197 -1.296 -5.874
67 HD3 ARG 6 3HD ARG 6 12.482 -0.345 -4.418
68 HE ARG 6 HE ARG 6 12.478 -2.284 -3.221
69 HH11 ARG 6 1HH1 ARG 6 10.843 -2.841 -6.244
70 HH12 ARG 6 2HH1 ARG 6 10.653 -4.543 -5.977
71 HH21 ARG 6 1HH2 ARG 6 12.233 -4.523 -2.858
72 HH22 ARG 6 2HH2 ARG 6 11.443 -5.498 -4.051
73 H PHE 7 H PHE 7 8.492 1.870 -7.482
74 HA PHE 7 HA PHE 7 9.693 3.062 -9.880
75 HB2 PHE 7 2HB PHE 7 8.017 1.841 -11.275
76 HB3 PHE 7 3HB PHE 7 9.209 0.790 -10.520
77 HD1 PHE 7 HD2 PHE 7 8.237 0.376 -7.855
78 HD2 PHE 7 HD1 PHE 7 6.046 0.685 -11.491
79 HE1 PHE 7 HE2 PHE 7 6.427 -0.971 -6.875
80 HE2 PHE 7 HE1 PHE 7 4.232 -0.661 -10.516
81 HZ PHE 7 HZ PHE 7 4.421 -1.492 -8.205
82 H VAL 8 H VAL 8 6.344 2.200 -9.110
83 HA VAL 8 HA VAL 8 5.700 5.064 -8.903
84 HB VAL 8 HB VAL 8 4.373 5.047 -10.685
85 HG11 VAL 8 1HG1 VAL 8 5.580 2.321 -10.964
86 HG12 VAL 8 2HG1 VAL 8 4.417 2.920 -12.149
87 HG13 VAL 8 3HG1 VAL 8 5.926 3.791 -11.873
88 HG21 VAL 8 3HG2 VAL 8 2.604 3.194 -10.939
89 HG22 VAL 8 1HG2 VAL 8 3.161 2.649 -9.357
90 HG23 VAL 8 2HG2 VAL 8 2.493 4.270 -9.546
91 H VAL 9 H VAL 9 5.805 2.317 -7.269
92 HA VAL 9 HA VAL 9 3.392 1.641 -6.221
93 HB VAL 9 HB VAL 9 5.003 1.827 -3.947
94 HG11 VAL 9 1HG1 VAL 9 5.491 -0.644 -4.643
95 HG12 VAL 9 2HG1 VAL 9 3.847 -0.144 -4.242
96 HG13 VAL 9 3HG1 VAL 9 4.335 -0.302 -5.930
97 HG21 VAL 9 3HG2 VAL 9 6.807 0.762 -6.053
98 HG22 VAL 9 1HG2 VAL 9 6.720 2.511 -5.846
99 HG23 VAL 9 2HG2 VAL 9 7.192 1.486 -4.492
100 H GLY 10 H GLY 10 4.535 4.742 -6.334
101 HA2 GLY 10 2HA GLY 10 4.087 6.050 -4.023
102 HA3 GLY 10 3HA GLY 10 3.526 6.682 -5.564
103 H ARG 11 H ARG 11 1.678 4.320 -5.822
104 HA ARG 11 HA ARG 11 -0.325 5.128 -3.821
105 HB2 ARG 11 2HB ARG 11 -1.940 4.540 -5.855
106 HB3 ARG 11 3HB ARG 11 -1.281 6.154 -5.622
107 HG2 ARG 11 2HG ARG 11 0.644 5.295 -7.147
108 HG3 ARG 11 3HG ARG 11 -0.540 4.079 -7.630
109 HD2 ARG 11 2HD ARG 11 -1.721 6.708 -7.597
110 HD3 ARG 11 3HD ARG 11 -0.279 6.684 -8.611
111 HE ARG 11 HE ARG 11 -1.381 5.328 -10.103
112 HH11 ARG 11 1HH1 ARG 11 -3.192 5.518 -7.136
113 HH12 ARG 11 2HH1 ARG 11 -4.591 4.731 -7.787
114 HH21 ARG 11 1HH2 ARG 11 -3.217 4.289 -10.971
115 HH22 ARG 11 2HH2 ARG 11 -4.604 4.031 -9.968
Start of MODEL 4
1 H1 ARG 1 H ARG 1 1.166 0.196 0.126
2 HA ARG 1 HA ARG 1 3.702 -0.264 -1.097
3 HB2 ARG 1 2HB ARG 1 2.926 -1.366 -3.128
4 HB3 ARG 1 3HB ARG 1 2.586 -2.364 -1.720
5 HG2 ARG 1 2HG ARG 1 0.250 -1.449 -1.758
6 HG3 ARG 1 3HG ARG 1 0.645 -0.712 -3.312
7 HD2 ARG 1 2HD ARG 1 -0.079 -2.640 -4.192
8 HD3 ARG 1 3HD ARG 1 1.481 -3.283 -3.680
9 HE ARG 1 HE ARG 1 -0.271 -3.512 -1.529
10 HH11 ARG 1 1HH1 ARG 1 0.091 -4.776 -4.753
11 HH12 ARG 1 2HH1 ARG 1 -0.690 -6.279 -4.392
12 HH21 ARG 1 1HH2 ARG 1 -1.302 -5.488 -1.041
13 HH22 ARG 1 2HH2 ARG 1 -1.483 -6.683 -2.280
14 H LEU 2 H LEU 2 2.213 1.996 -0.259
15 HA LEU 2 HA LEU 2 1.483 3.274 -2.804
16 HB2 LEU 2 2HB LEU 2 0.308 4.931 -1.479
17 HB3 LEU 2 3HB LEU 2 -0.252 3.306 -1.094
18 HG LEU 2 HG LEU 2 1.834 4.548 0.635
19 HD11 LEU 2 1HD1 LEU 2 -0.376 5.261 1.967
20 HD12 LEU 2 2HD1 LEU 2 -0.940 5.505 0.315
21 HD13 LEU 2 3HD1 LEU 2 0.497 6.350 0.889
22 HD21 LEU 2 3HD2 LEU 2 0.099 3.311 2.257
23 HD22 LEU 2 1HD2 LEU 2 1.435 2.480 1.459
24 HD23 LEU 2 2HD2 LEU 2 -0.189 2.399 0.775
25 H TYR 3 H TYR 3 4.128 3.001 -2.571
26 HA TYR 3 HA TYR 3 5.012 5.751 -2.102
27 HB2 TYR 3 2HB TYR 3 7.145 4.826 -1.092
28 HB3 TYR 3 3HB TYR 3 5.709 4.709 -0.082
29 HD1 TYR 3 HD1 TYR 3 7.915 2.766 -2.345
30 HD2 TYR 3 HD2 TYR 3 4.962 2.622 0.715
31 HE1 TYR 3 HE1 TYR 3 8.294 0.348 -2.101
32 HE2 TYR 3 HE2 TYR 3 5.334 0.204 0.968
33 HH TYR 3 HH TYR 3 6.975 -1.647 -1.271
34 H ARG 4 H ARG 4 5.869 6.465 -3.927
35 HA ARG 4 HA ARG 4 6.656 4.704 -6.035
36 HB2 ARG 4 2HB ARG 4 7.084 6.684 -7.312
37 HB3 ARG 4 3HB ARG 4 5.623 6.960 -6.374
38 HG2 ARG 4 2HG ARG 4 7.665 7.887 -4.745
39 HG3 ARG 4 3HG ARG 4 8.122 8.405 -6.369
40 HD2 ARG 4 2HD ARG 4 5.954 9.456 -6.668
41 HD3 ARG 4 3HD ARG 4 5.436 8.882 -5.084
42 HE ARG 4 HE ARG 4 6.535 10.645 -4.145
43 HH11 ARG 4 1HH1 ARG 4 7.792 10.127 -7.349
44 HH12 ARG 4 2HH1 ARG 4 8.797 11.538 -7.324
45 HH21 ARG 4 1HH2 ARG 4 7.854 12.505 -4.099
46 HH22 ARG 4 2HH2 ARG 4 8.833 12.890 -5.475
47 H ARG 5 H ARG 5 8.168 4.234 -3.690
48 HA ARG 5 HA ARG 5 10.720 5.464 -3.803
49 HB2 ARG 5 2HB ARG 5 11.291 4.101 -2.047
50 HB3 ARG 5 3HB ARG 5 9.538 4.039 -1.919
51 HG2 ARG 5 2HG ARG 5 9.533 1.919 -3.152
52 HG3 ARG 5 3HG ARG 5 11.295 1.978 -3.233
53 HD2 ARG 5 2HD ARG 5 9.857 2.119 -0.607
54 HD3 ARG 5 3HD ARG 5 10.187 0.569 -1.380
55 HE ARG 5 HE ARG 5 12.540 2.144 -1.231
56 HH11 ARG 5 1HH1 ARG 5 10.405 0.185 0.699
57 HH12 ARG 5 2HH1 ARG 5 11.630 -0.253 1.844
58 HH21 ARG 5 1HH2 ARG 5 14.161 1.574 0.269
59 HH22 ARG 5 2HH2 ARG 5 13.765 0.538 1.599
60 H ARG 6 H ARG 6 9.489 2.358 -5.010
61 HA ARG 6 HA ARG 6 12.008 1.719 -6.270
62 HB2 ARG 6 2HB ARG 6 9.308 0.363 -6.364
63 HB3 ARG 6 3HB ARG 6 10.757 -0.261 -7.141
64 HG2 ARG 6 2HG ARG 6 10.587 0.283 -4.190
65 HG3 ARG 6 3HG ARG 6 10.173 -1.272 -4.915
66 HD2 ARG 6 2HD ARG 6 12.610 -0.746 -6.034
67 HD3 ARG 6 3HD ARG 6 12.790 -0.055 -4.422
68 HE ARG 6 HE ARG 6 12.790 -2.173 -3.553
69 HH11 ARG 6 1HH1 ARG 6 11.598 -2.279 -6.822
70 HH12 ARG 6 2HH1 ARG 6 11.584 -4.010 -6.899
71 HH21 ARG 6 1HH2 ARG 6 12.776 -4.452 -3.642
72 HH22 ARG 6 2HH2 ARG 6 12.253 -5.245 -5.089
73 H PHE 7 H PHE 7 8.688 2.104 -7.528
74 HA PHE 7 HA PHE 7 9.814 3.432 -9.890
75 HB2 PHE 7 2HB PHE 7 8.201 2.163 -11.320
76 HB3 PHE 7 3HB PHE 7 9.454 1.157 -10.600
77 HD1 PHE 7 HD2 PHE 7 8.519 0.607 -7.948
78 HD2 PHE 7 HD1 PHE 7 6.297 0.907 -11.566
79 HE1 PHE 7 HE2 PHE 7 6.791 -0.869 -7.005
80 HE2 PHE 7 HE1 PHE 7 4.565 -0.568 -10.628
81 HZ PHE 7 HZ PHE 7 4.811 -1.459 -8.346
82 H VAL 8 H VAL 8 6.521 2.363 -9.136
83 HA VAL 8 HA VAL 8 5.721 5.179 -8.845
84 HB VAL 8 HB VAL 8 4.388 5.142 -10.622
85 HG11 VAL 8 1HG1 VAL 8 5.744 2.496 -10.986
86 HG12 VAL 8 2HG1 VAL 8 4.544 3.065 -12.149
87 HG13 VAL 8 3HG1 VAL 8 6.004 4.011 -11.851
88 HG21 VAL 8 3HG2 VAL 8 2.723 3.202 -10.926
89 HG22 VAL 8 1HG2 VAL 8 3.318 2.641 -9.364
90 HG23 VAL 8 2HG2 VAL 8 2.559 4.227 -9.501
91 H VAL 9 H VAL 9 5.984 2.396 -7.292
92 HA VAL 9 HA VAL 9 3.616 1.558 -6.258
93 HB VAL 9 HB VAL 9 5.227 1.763 -3.986
94 HG11 VAL 9 1HG1 VAL 9 5.842 -0.658 -4.768
95 HG12 VAL 9 2HG1 VAL 9 4.182 -0.258 -4.324
96 HG13 VAL 9 3HG1 VAL 9 4.647 -0.336 -6.024
97 HG21 VAL 9 3HG2 VAL 9 7.071 0.856 -6.130
98 HG22 VAL 9 1HG2 VAL 9 6.894 2.592 -5.872
99 HG23 VAL 9 2HG2 VAL 9 7.428 1.553 -4.550
100 H GLY 10 H GLY 10 4.586 4.719 -6.283
101 HA2 GLY 10 2HA GLY 10 4.085 5.935 -3.934
102 HA3 GLY 10 3HA GLY 10 3.473 6.575 -5.452
103 H ARG 11 H ARG 11 1.754 4.134 -5.773
104 HA ARG 11 HA ARG 11 -0.266 4.759 -3.723
105 HB2 ARG 11 2HB ARG 11 -1.867 4.155 -5.766
106 HB3 ARG 11 3HB ARG 11 -1.302 5.794 -5.472
107 HG2 ARG 11 2HG ARG 11 0.655 5.111 -7.045
108 HG3 ARG 11 3HG ARG 11 -0.462 3.848 -7.569
109 HD2 ARG 11 2HD ARG 11 -1.675 6.502 -7.399
110 HD3 ARG 11 3HD ARG 11 -0.355 6.400 -8.563
111 HE ARG 11 HE ARG 11 -1.883 4.217 -9.108
112 HH11 ARG 11 1HH1 ARG 11 -2.511 7.632 -8.862
113 HH12 ARG 11 2HH1 ARG 11 -3.799 7.611 -10.021
114 HH21 ARG 11 1HH2 ARG 11 -3.576 4.176 -10.635
115 HH22 ARG 11 2HH2 ARG 11 -4.405 5.645 -11.028
Start of MODEL 5
1 H1 ARG 1 H ARG 1 2.155 -1.173 0.506
2 HA ARG 1 HA ARG 1 3.694 -0.462 -1.154
3 HB2 ARG 1 2HB ARG 1 3.006 -1.586 -3.183
4 HB3 ARG 1 3HB ARG 1 2.498 -2.535 -1.793
5 HG2 ARG 1 2HG ARG 1 0.237 -1.378 -2.051
6 HG3 ARG 1 3HG ARG 1 0.819 -0.878 -3.640
7 HD2 ARG 1 2HD ARG 1 0.939 -3.071 -4.419
8 HD3 ARG 1 3HD ARG 1 0.941 -3.748 -2.791
9 HE ARG 1 HE ARG 1 -1.343 -3.098 -4.380
10 HH11 ARG 1 1HH1 ARG 1 -0.160 -3.353 -1.116
11 HH12 ARG 1 2HH1 ARG 1 -1.726 -3.637 -0.431
12 HH21 ARG 1 1HH2 ARG 1 -3.411 -3.471 -3.490
13 HH22 ARG 1 2HH2 ARG 1 -3.574 -3.705 -1.783
14 H LEU 2 H LEU 2 2.223 1.842 -0.391
15 HA LEU 2 HA LEU 2 1.630 3.120 -2.971
16 HB2 LEU 2 2HB LEU 2 0.751 4.958 -1.340
17 HB3 LEU 2 3HB LEU 2 -0.217 3.526 -1.684
18 HG LEU 2 HG LEU 2 0.502 2.537 0.441
19 HD11 LEU 2 1HD1 LEU 2 2.671 3.526 0.701
20 HD12 LEU 2 2HD1 LEU 2 1.675 3.983 2.082
21 HD13 LEU 2 3HD1 LEU 2 1.973 5.143 0.789
22 HD21 LEU 2 3HD2 LEU 2 -1.364 4.481 0.061
23 HD22 LEU 2 1HD2 LEU 2 -0.410 5.158 1.380
24 HD23 LEU 2 2HD2 LEU 2 -1.150 3.567 1.555
25 H TYR 3 H TYR 3 4.245 2.789 -2.697
26 HA TYR 3 HA TYR 3 5.202 5.505 -2.165
27 HB2 TYR 3 2HB TYR 3 7.293 4.504 -1.152
28 HB3 TYR 3 3HB TYR 3 5.842 4.385 -0.163
29 HD1 TYR 3 HD2 TYR 3 8.047 2.469 -2.448
30 HD2 TYR 3 HD1 TYR 3 5.038 2.289 0.555
31 HE1 TYR 3 HE2 TYR 3 8.374 0.038 -2.274
32 HE2 TYR 3 HE1 TYR 3 5.358 -0.142 0.739
33 HH TYR 3 HH TYR 3 7.795 -1.741 -0.057
34 H ARG 4 H ARG 4 6.082 6.233 -3.973
35 HA ARG 4 HA ARG 4 6.850 4.494 -6.107
36 HB2 ARG 4 2HB ARG 4 7.333 6.491 -7.343
37 HB3 ARG 4 3HB ARG 4 5.861 6.769 -6.422
38 HG2 ARG 4 2HG ARG 4 7.837 7.654 -4.723
39 HG3 ARG 4 3HG ARG 4 8.416 8.144 -6.317
40 HD2 ARG 4 2HD ARG 4 6.553 9.476 -6.720
41 HD3 ARG 4 3HD ARG 4 5.580 8.651 -5.503
42 HE ARG 4 HE ARG 4 7.673 9.853 -4.153
43 HH11 ARG 4 1HH1 ARG 4 4.993 10.850 -6.140
44 HH12 ARG 4 2HH1 ARG 4 4.819 12.387 -5.361
45 HH21 ARG 4 1HH2 ARG 4 7.453 11.874 -3.120
46 HH22 ARG 4 2HH2 ARG 4 6.219 12.970 -3.644
47 H ARG 5 H ARG 5 8.335 3.939 -3.771
48 HA ARG 5 HA ARG 5 10.910 5.128 -3.837
49 HB2 ARG 5 2HB ARG 5 11.442 3.720 -2.104
50 HB3 ARG 5 3HB ARG 5 9.688 3.693 -1.988
51 HG2 ARG 5 2HG ARG 5 9.651 1.597 -3.267
52 HG3 ARG 5 3HG ARG 5 11.415 1.620 -3.323
53 HD2 ARG 5 2HD ARG 5 9.891 1.699 -0.735
54 HD3 ARG 5 3HD ARG 5 10.318 0.182 -1.525
55 HE ARG 5 HE ARG 5 12.554 0.560 -1.010
56 HH11 ARG 5 1HH1 ARG 5 10.568 3.257 -0.060
57 HH12 ARG 5 2HH1 ARG 5 11.793 3.979 0.929
58 HH21 ARG 5 1HH2 ARG 5 14.176 1.501 0.290
59 HH22 ARG 5 2HH2 ARG 5 13.845 2.980 1.127
60 H ARG 6 H ARG 6 9.628 2.073 -5.116
61 HA ARG 6 HA ARG 6 12.144 1.409 -6.367
62 HB2 ARG 6 2HB ARG 6 9.421 0.107 -6.518
63 HB3 ARG 6 3HB ARG 6 10.870 -0.532 -7.280
64 HG2 ARG 6 2HG ARG 6 10.670 -0.029 -4.325
65 HG3 ARG 6 3HG ARG 6 10.225 -1.562 -5.077
66 HD2 ARG 6 2HD ARG 6 12.649 -1.220 -6.168
67 HD3 ARG 6 3HD ARG 6 12.889 -0.349 -4.654
68 HE ARG 6 HE ARG 6 12.940 -2.356 -3.575
69 HH11 ARG 6 1HH1 ARG 6 11.355 -2.786 -6.644
70 HH12 ARG 6 2HH1 ARG 6 11.222 -4.506 -6.482
71 HH21 ARG 6 1HH2 ARG 6 12.771 -4.619 -3.350
72 HH22 ARG 6 2HH2 ARG 6 12.027 -5.548 -4.608
73 H PHE 7 H PHE 7 8.843 1.884 -7.642
74 HA PHE 7 HA PHE 7 10.015 3.232 -9.971
75 HB2 PHE 7 2HB PHE 7 8.386 2.027 -11.435
76 HB3 PHE 7 3HB PHE 7 9.609 0.979 -10.724
77 HD1 PHE 7 HD2 PHE 7 8.640 0.402 -8.090
78 HD2 PHE 7 HD1 PHE 7 6.455 0.819 -11.718
79 HE1 PHE 7 HE2 PHE 7 6.872 -1.051 -7.187
80 HE2 PHE 7 HE1 PHE 7 4.682 -0.633 -10.821
81 HZ PHE 7 HZ PHE 7 4.890 -1.571 -8.554
82 H VAL 8 H VAL 8 6.692 2.223 -9.265
83 HA VAL 8 HA VAL 8 5.953 5.050 -8.921
84 HB VAL 8 HB VAL 8 4.635 5.078 -10.710
85 HG11 VAL 8 1HG1 VAL 8 5.932 2.409 -11.117
86 HG12 VAL 8 2HG1 VAL 8 4.758 3.031 -12.278
87 HG13 VAL 8 3HG1 VAL 8 6.237 3.935 -11.947
88 HG21 VAL 8 3HG2 VAL 8 2.931 3.181 -11.067
89 HG22 VAL 8 1HG2 VAL 8 3.498 2.578 -9.510
90 HG23 VAL 8 2HG2 VAL 8 2.776 4.183 -9.624
91 H VAL 9 H VAL 9 6.142 2.232 -7.423
92 HA VAL 9 HA VAL 9 3.748 1.425 -6.426
93 HB VAL 9 HB VAL 9 5.340 1.550 -4.135
94 HG11 VAL 9 1HG1 VAL 9 5.914 -0.865 -4.951
95 HG12 VAL 9 2HG1 VAL 9 4.252 -0.440 -4.534
96 HG13 VAL 9 3HG1 VAL 9 4.751 -0.497 -6.225
97 HG21 VAL 9 3HG2 VAL 9 7.189 0.651 -6.279
98 HG22 VAL 9 1HG2 VAL 9 7.042 2.385 -5.988
99 HG23 VAL 9 2HG2 VAL 9 7.542 1.310 -4.682
100 H GLY 10 H GLY 10 4.787 4.564 -6.378
101 HA2 GLY 10 2HA GLY 10 4.286 5.741 -4.008
102 HA3 GLY 10 3HA GLY 10 3.710 6.428 -5.520
103 H ARG 11 H ARG 11 1.944 4.022 -5.904
104 HA ARG 11 HA ARG 11 -0.091 4.658 -3.873
105 HB2 ARG 11 2HB ARG 11 -1.469 3.967 -6.213
106 HB3 ARG 11 3HB ARG 11 -1.366 5.557 -5.469
107 HG2 ARG 11 2HG ARG 11 0.294 6.271 -6.912
108 HG3 ARG 11 3HG ARG 11 0.781 4.625 -7.324
109 HD2 ARG 11 2HD ARG 11 -0.365 5.513 -9.209
110 HD3 ARG 11 3HD ARG 11 -1.444 4.348 -8.443
111 HE ARG 11 HE ARG 11 -1.950 6.941 -7.447
112 HH11 ARG 11 1HH1 ARG 11 -2.388 4.979 -10.289
113 HH12 ARG 11 2HH1 ARG 11 -3.803 5.827 -10.816
114 HH21 ARG 11 1HH2 ARG 11 -3.813 8.066 -8.130
115 HH22 ARG 11 2HH2 ARG 11 -4.613 7.584 -9.588
Start of MODEL 6
1 H1 ARG 1 H ARG 1 0.770 -1.056 -0.463
2 HA ARG 1 HA ARG 1 3.343 -0.375 -1.465
3 HB2 ARG 1 2HB ARG 1 0.845 -1.427 -2.790
4 HB3 ARG 1 3HB ARG 1 2.336 -1.130 -3.673
5 HG2 ARG 1 2HG ARG 1 2.829 -3.248 -3.193
6 HG3 ARG 1 3HG ARG 1 3.204 -2.650 -1.575
7 HD2 ARG 1 2HD ARG 1 1.096 -3.284 -0.740
8 HD3 ARG 1 3HD ARG 1 0.434 -3.505 -2.359
9 HE ARG 1 HE ARG 1 2.630 -5.258 -1.769
10 HH11 ARG 1 1HH1 ARG 1 -0.810 -4.795 -1.500
11 HH12 ARG 1 2HH1 ARG 1 -1.160 -6.488 -1.380
12 HH21 ARG 1 1HH2 ARG 1 2.182 -7.489 -1.612
13 HH22 ARG 1 2HH2 ARG 1 0.543 -8.019 -1.443
14 H LEU 2 H LEU 2 1.997 1.932 -0.521
15 HA LEU 2 HA LEU 2 1.439 3.418 -2.997
16 HB2 LEU 2 2HB LEU 2 0.348 5.072 -1.598
17 HB3 LEU 2 3HB LEU 2 -0.340 3.471 -1.332
18 HG LEU 2 HG LEU 2 1.779 4.446 0.525
19 HD11 LEU 2 1HD1 LEU 2 -0.054 5.444 1.923
20 HD12 LEU 2 2HD1 LEU 2 -1.081 5.381 0.491
21 HD13 LEU 2 3HD1 LEU 2 0.384 6.363 0.483
22 HD21 LEU 2 3HD2 LEU 2 -0.403 2.452 0.479
23 HD22 LEU 2 1HD2 LEU 2 -0.087 3.245 2.022
24 HD23 LEU 2 2HD2 LEU 2 1.204 2.365 1.203
25 H TYR 3 H TYR 3 4.049 2.935 -2.714
26 HA TYR 3 HA TYR 3 5.116 5.577 -2.046
27 HB2 TYR 3 2HB TYR 3 7.145 4.434 -1.044
28 HB3 TYR 3 3HB TYR 3 5.675 4.361 -0.080
29 HD1 TYR 3 HD1 TYR 3 7.799 2.404 -2.408
30 HD2 TYR 3 HD2 TYR 3 4.754 2.291 0.561
31 HE1 TYR 3 HE1 TYR 3 7.993 -0.046 -2.311
32 HE2 TYR 3 HE2 TYR 3 4.940 -0.160 0.667
33 HH TYR 3 HH TYR 3 5.959 -2.016 -1.373
34 H ARG 4 H ARG 4 6.077 6.338 -3.798
35 HA ARG 4 HA ARG 4 6.797 4.660 -5.996
36 HB2 ARG 4 2HB ARG 4 7.404 6.679 -7.130
37 HB3 ARG 4 3HB ARG 4 5.941 7.004 -6.211
38 HG2 ARG 4 2HG ARG 4 8.017 7.666 -4.485
39 HG3 ARG 4 3HG ARG 4 8.527 8.267 -6.064
40 HD2 ARG 4 2HD ARG 4 5.881 8.993 -5.962
41 HD3 ARG 4 3HD ARG 4 6.404 9.202 -4.292
42 HE ARG 4 HE ARG 4 8.328 10.388 -5.902
43 HH11 ARG 4 1HH1 ARG 4 4.951 10.805 -5.165
44 HH12 ARG 4 2HH1 ARG 4 4.966 12.514 -5.449
45 HH21 ARG 4 1HH2 ARG 4 8.361 12.637 -6.279
46 HH22 ARG 4 2HH2 ARG 4 6.906 13.555 -6.084
47 H ARG 5 H ARG 5 8.200 3.934 -3.646
48 HA ARG 5 HA ARG 5 10.837 4.975 -3.615
49 HB2 ARG 5 2HB ARG 5 11.254 3.466 -1.937
50 HB3 ARG 5 3HB ARG 5 9.498 3.527 -1.858
51 HG2 ARG 5 2HG ARG 5 9.380 1.495 -3.231
52 HG3 ARG 5 3HG ARG 5 11.143 1.427 -3.253
53 HD2 ARG 5 2HD ARG 5 9.567 1.469 -0.694
54 HD3 ARG 5 3HD ARG 5 9.940 -0.031 -1.543
55 HE ARG 5 HE ARG 5 12.180 0.215 -0.964
56 HH11 ARG 5 1HH1 ARG 5 10.302 2.959 0.066
57 HH12 ARG 5 2HH1 ARG 5 11.537 3.576 1.113
58 HH21 ARG 5 1HH2 ARG 5 13.813 1.016 0.411
59 HH22 ARG 5 2HH2 ARG 5 13.534 2.471 1.308
60 H ARG 6 H ARG 6 9.420 2.052 -5.053
61 HA ARG 6 HA ARG 6 11.923 1.308 -6.287
62 HB2 ARG 6 2HB ARG 6 9.136 0.166 -6.534
63 HB3 ARG 6 3HB ARG 6 10.556 -0.514 -7.317
64 HG2 ARG 6 2HG ARG 6 10.342 -0.150 -4.342
65 HG3 ARG 6 3HG ARG 6 9.842 -1.621 -5.178
66 HD2 ARG 6 2HD ARG 6 12.298 -1.326 -6.217
67 HD3 ARG 6 3HD ARG 6 12.548 -0.556 -4.651
68 HE ARG 6 HE ARG 6 12.382 -2.611 -3.646
69 HH11 ARG 6 1HH1 ARG 6 11.241 -2.832 -6.928
70 HH12 ARG 6 2HH1 ARG 6 11.126 -4.560 -6.910
71 HH21 ARG 6 1HH2 ARG 6 12.235 -4.887 -3.610
72 HH22 ARG 6 2HH2 ARG 6 11.691 -5.729 -5.022
73 H PHE 7 H PHE 7 8.679 2.016 -7.601
74 HA PHE 7 HA PHE 7 9.969 3.403 -9.843
75 HB2 PHE 7 2HB PHE 7 8.313 2.350 -11.393
76 HB3 PHE 7 3HB PHE 7 9.468 1.211 -10.708
77 HD1 PHE 7 HD1 PHE 7 8.417 0.565 -8.122
78 HD2 PHE 7 HD2 PHE 7 6.331 1.254 -11.768
79 HE1 PHE 7 HE1 PHE 7 6.561 -0.837 -7.321
80 HE2 PHE 7 HE2 PHE 7 4.471 -0.146 -10.972
81 HZ PHE 7 HZ PHE 7 4.584 -1.193 -8.746
82 H VAL 8 H VAL 8 6.586 2.536 -9.245
83 HA VAL 8 HA VAL 8 5.982 5.379 -8.792
84 HB VAL 8 HB VAL 8 4.704 5.551 -10.601
85 HG11 VAL 8 1HG1 VAL 8 5.875 2.840 -11.101
86 HG12 VAL 8 2HG1 VAL 8 4.757 3.570 -12.255
87 HG13 VAL 8 3HG1 VAL 8 6.272 4.383 -11.858
88 HG21 VAL 8 3HG2 VAL 8 2.915 3.761 -11.072
89 HG22 VAL 8 1HG2 VAL 8 3.420 3.062 -9.534
90 HG23 VAL 8 2HG2 VAL 8 2.781 4.705 -9.589
91 H VAL 9 H VAL 9 5.998 2.492 -7.416
92 HA VAL 9 HA VAL 9 3.545 1.769 -6.499
93 HB VAL 9 HB VAL 9 5.098 1.711 -4.178
94 HG11 VAL 9 1HG1 VAL 9 5.560 -0.695 -5.100
95 HG12 VAL 9 2HG1 VAL 9 3.920 -0.202 -4.673
96 HG13 VAL 9 3HG1 VAL 9 4.430 -0.208 -6.362
97 HG21 VAL 9 3HG2 VAL 9 6.935 0.807 -6.330
98 HG22 VAL 9 1HG2 VAL 9 6.877 2.531 -5.963
99 HG23 VAL 9 2HG2 VAL 9 7.294 1.373 -4.699
100 H GLY 10 H GLY 10 4.743 4.844 -6.294
101 HA2 GLY 10 2HA GLY 10 4.261 5.944 -3.885
102 HA3 GLY 10 3HA GLY 10 3.743 6.722 -5.373
103 H ARG 11 H ARG 11 1.862 4.440 -5.894
104 HA ARG 11 HA ARG 11 -0.169 5.084 -3.861
105 HB2 ARG 11 2HB ARG 11 -1.747 4.728 -5.979
106 HB3 ARG 11 3HB ARG 11 -1.074 6.299 -5.565
107 HG2 ARG 11 2HG ARG 11 0.875 5.577 -7.128
108 HG3 ARG 11 3HG ARG 11 -0.310 4.432 -7.760
109 HD2 ARG 11 2HD ARG 11 -1.190 7.241 -7.444
110 HD3 ARG 11 3HD ARG 11 -0.019 6.911 -8.721
111 HE ARG 11 HE ARG 11 -1.987 5.014 -9.014
112 HH11 ARG 11 1HH1 ARG 11 -1.818 8.491 -9.023
113 HH12 ARG 11 2HH1 ARG 11 -3.149 8.683 -10.116
114 HH21 ARG 11 1HH2 ARG 11 -3.740 5.253 -10.453
115 HH22 ARG 11 2HH2 ARG 11 -4.242 6.841 -10.928
Start of MODEL 7
1 H1 ARG 1 H ARG 1 1.559 -1.718 -0.291
2 HA ARG 1 HA ARG 1 3.763 -0.706 -1.514
3 HB2 ARG 1 2HB ARG 1 2.761 -1.523 -3.681
4 HB3 ARG 1 3HB ARG 1 2.785 -2.698 -2.372
5 HG2 ARG 1 2HG ARG 1 0.327 -1.180 -2.382
6 HG3 ARG 1 3HG ARG 1 0.610 -1.978 -3.930
7 HD2 ARG 1 2HD ARG 1 1.084 -4.082 -2.601
8 HD3 ARG 1 3HD ARG 1 0.443 -3.227 -1.199
9 HE ARG 1 HE ARG 1 -1.053 -4.347 -3.373
10 HH11 ARG 1 1HH1 ARG 1 -1.030 -1.899 -0.898
11 HH12 ARG 1 2HH1 ARG 1 -2.757 -1.773 -0.824
12 HH21 ARG 1 1HH2 ARG 1 -3.327 -4.190 -3.285
13 HH22 ARG 1 2HH2 ARG 1 -4.062 -3.077 -2.182
14 H LEU 2 H LEU 2 2.320 1.529 -0.512
15 HA LEU 2 HA LEU 2 1.635 2.999 -2.964
16 HB2 LEU 2 2HB LEU 2 0.493 4.588 -1.530
17 HB3 LEU 2 3HB LEU 2 -0.110 2.953 -1.265
18 HG LEU 2 HG LEU 2 1.995 4.020 0.558
19 HD11 LEU 2 1HD1 LEU 2 -0.931 4.731 0.709
20 HD12 LEU 2 2HD1 LEU 2 0.412 5.846 0.459
21 HD13 LEU 2 3HD1 LEU 2 0.250 4.993 1.993
22 HD21 LEU 2 3HD2 LEU 2 -0.070 1.908 0.532
23 HD22 LEU 2 1HD2 LEU 2 0.217 2.709 2.077
24 HD23 LEU 2 2HD2 LEU 2 1.547 1.911 1.238
25 H TYR 3 H TYR 3 4.271 2.649 -2.741
26 HA TYR 3 HA TYR 3 5.217 5.338 -2.075
27 HB2 TYR 3 2HB TYR 3 7.322 4.293 -1.126
28 HB3 TYR 3 3HB TYR 3 5.878 4.137 -0.131
29 HD1 TYR 3 HD1 TYR 3 8.052 2.310 -2.519
30 HD2 TYR 3 HD2 TYR 3 5.078 2.017 0.511
31 HE1 TYR 3 HE1 TYR 3 8.373 -0.128 -2.447
32 HE2 TYR 3 HE2 TYR 3 5.393 -0.421 0.592
33 HH TYR 3 HH TYR 3 7.819 -2.030 -1.442
34 H ARG 4 H ARG 4 6.098 6.159 -3.841
35 HA ARG 4 HA ARG 4 6.856 4.534 -6.066
36 HB2 ARG 4 2HB ARG 4 7.335 6.591 -7.198
37 HB3 ARG 4 3HB ARG 4 5.875 6.831 -6.248
38 HG2 ARG 4 2HG ARG 4 7.951 7.589 -4.560
39 HG3 ARG 4 3HG ARG 4 8.388 8.232 -6.144
40 HD2 ARG 4 2HD ARG 4 5.808 8.918 -6.110
41 HD3 ARG 4 3HD ARG 4 6.112 8.908 -4.373
42 HE ARG 4 HE ARG 4 8.169 10.354 -5.535
43 HH11 ARG 4 1HH1 ARG 4 4.707 10.577 -5.241
44 HH12 ARG 4 2HH1 ARG 4 4.683 12.309 -5.302
45 HH21 ARG 4 1HH2 ARG 4 8.150 12.633 -5.616
46 HH22 ARG 4 2HH2 ARG 4 6.642 13.477 -5.516
47 H ARG 5 H ARG 5 8.345 3.865 -3.756
48 HA ARG 5 HA ARG 5 10.925 5.042 -3.772
49 HB2 ARG 5 2HB ARG 5 11.456 3.546 -2.115
50 HB3 ARG 5 3HB ARG 5 9.702 3.516 -1.998
51 HG2 ARG 5 2HG ARG 5 9.658 1.489 -3.383
52 HG3 ARG 5 3HG ARG 5 11.422 1.512 -3.443
53 HD2 ARG 5 2HD ARG 5 9.906 1.460 -0.849
54 HD3 ARG 5 3HD ARG 5 10.327 -0.015 -1.718
55 HE ARG 5 HE ARG 5 12.566 0.331 -1.191
56 HH11 ARG 5 1HH1 ARG 5 10.589 2.979 -0.097
57 HH12 ARG 5 2HH1 ARG 5 11.819 3.646 0.925
58 HH21 ARG 5 1HH2 ARG 5 14.194 1.200 0.150
59 HH22 ARG 5 2HH2 ARG 5 13.869 2.634 1.064
60 H ARG 6 H ARG 6 9.630 2.059 -5.201
61 HA ARG 6 HA ARG 6 12.140 1.453 -6.494
62 HB2 ARG 6 2HB ARG 6 9.411 0.169 -6.694
63 HB3 ARG 6 3HB ARG 6 10.851 -0.432 -7.506
64 HG2 ARG 6 2HG ARG 6 10.669 -0.095 -4.525
65 HG3 ARG 6 3HG ARG 6 10.236 -1.587 -5.363
66 HD2 ARG 6 2HD ARG 6 12.755 -0.800 -6.349
67 HD3 ARG 6 3HD ARG 6 12.821 -0.626 -4.595
68 HE ARG 6 HE ARG 6 12.694 -3.071 -6.085
69 HH11 ARG 6 1HH1 ARG 6 11.925 -1.552 -3.048
70 HH12 ARG 6 2HH1 ARG 6 11.948 -3.034 -2.151
71 HH21 ARG 6 1HH2 ARG 6 12.727 -5.029 -4.916
72 HH22 ARG 6 2HH2 ARG 6 12.405 -5.011 -3.215
73 H PHE 7 H PHE 7 8.836 2.001 -7.733
74 HA PHE 7 HA PHE 7 10.004 3.466 -9.991
75 HB2 PHE 7 2HB PHE 7 8.371 2.339 -11.513
76 HB3 PHE 7 3HB PHE 7 9.597 1.257 -10.861
77 HD1 PHE 7 HD1 PHE 7 8.636 0.542 -8.259
78 HD2 PHE 7 HD2 PHE 7 6.440 1.146 -11.854
79 HE1 PHE 7 HE1 PHE 7 6.871 -0.958 -7.428
80 HE2 PHE 7 HE2 PHE 7 4.671 -0.351 -11.029
81 HZ PHE 7 HZ PHE 7 4.884 -1.405 -8.813
82 H VAL 8 H VAL 8 6.684 2.423 -9.327
83 HA VAL 8 HA VAL 8 5.945 5.228 -8.839
84 HB VAL 8 HB VAL 8 4.621 5.347 -10.620
85 HG11 VAL 8 1HG1 VAL 8 5.919 2.704 -11.166
86 HG12 VAL 8 2HG1 VAL 8 4.740 3.382 -12.290
87 HG13 VAL 8 3HG1 VAL 8 6.219 4.269 -11.919
88 HG21 VAL 8 3HG2 VAL 8 2.916 3.469 -11.067
89 HG22 VAL 8 1HG2 VAL 8 3.489 2.788 -9.544
90 HG23 VAL 8 2HG2 VAL 8 2.766 4.396 -9.574
91 H VAL 9 H VAL 9 6.139 2.337 -7.487
92 HA VAL 9 HA VAL 9 3.746 1.483 -6.523
93 HB VAL 9 HB VAL 9 5.350 1.489 -4.236
94 HG11 VAL 9 1HG1 VAL 9 5.915 -0.884 -5.184
95 HG12 VAL 9 2HG1 VAL 9 4.260 -0.479 -4.724
96 HG13 VAL 9 3HG1 VAL 9 4.738 -0.448 -6.422
97 HG21 VAL 9 3HG2 VAL 9 7.185 0.695 -6.433
98 HG22 VAL 9 1HG2 VAL 9 7.045 2.412 -6.052
99 HG23 VAL 9 2HG2 VAL 9 7.549 1.270 -4.806
100 H GLY 10 H GLY 10 4.788 4.614 -6.320
101 HA2 GLY 10 2HA GLY 10 4.303 5.671 -3.893
102 HA3 GLY 10 3HA GLY 10 3.714 6.432 -5.364
103 H ARG 11 H ARG 11 1.942 4.059 -5.863
104 HA ARG 11 HA ARG 11 -0.075 4.585 -3.782
105 HB2 ARG 11 2HB ARG 11 -1.678 4.161 -5.869
106 HB3 ARG 11 3HB ARG 11 -1.078 5.763 -5.459
107 HG2 ARG 11 2HG ARG 11 0.870 5.152 -7.068
108 HG3 ARG 11 3HG ARG 11 -0.264 3.948 -7.681
109 HD2 ARG 11 2HD ARG 11 -1.130 6.790 -7.350
110 HD3 ARG 11 3HD ARG 11 -0.175 6.318 -8.756
111 HE ARG 11 HE ARG 11 -2.254 4.508 -8.588
112 HH11 ARG 11 1HH1 ARG 11 -1.888 7.946 -8.993
113 HH12 ARG 11 2HH1 ARG 11 -3.341 8.124 -9.919
114 HH21 ARG 11 1HH2 ARG 11 -4.170 4.729 -9.807
115 HH22 ARG 11 2HH2 ARG 11 -4.639 6.293 -10.381
Start of MODEL 8
1 H1 ARG 1 H ARG 1 1.736 -1.456 0.319
2 HA ARG 1 HA ARG 1 3.760 -0.350 -1.024
3 HB2 ARG 1 2HB ARG 1 2.838 -1.368 -3.131
4 HB3 ARG 1 3HB ARG 1 2.902 -2.454 -1.750
5 HG2 ARG 1 2HG ARG 1 0.504 -2.045 -1.353
6 HG3 ARG 1 3HG ARG 1 0.464 -1.037 -2.801
7 HD2 ARG 1 2HD ARG 1 1.119 -2.936 -4.167
8 HD3 ARG 1 3HD ARG 1 1.247 -3.949 -2.729
9 HE ARG 1 HE ARG 1 -1.347 -2.768 -3.067
10 HH11 ARG 1 1HH1 ARG 1 0.712 -5.435 -3.944
11 HH12 ARG 1 2HH1 ARG 1 -0.605 -6.504 -4.300
12 HH21 ARG 1 1HH2 ARG 1 -3.089 -4.166 -3.531
13 HH22 ARG 1 2HH2 ARG 1 -2.766 -5.781 -4.065
14 H LEU 2 H LEU 2 2.218 1.852 -0.158
15 HA LEU 2 HA LEU 2 1.399 3.117 -2.683
16 HB2 LEU 2 2HB LEU 2 0.193 4.727 -1.330
17 HB3 LEU 2 3HB LEU 2 -0.305 3.082 -0.941
18 HG LEU 2 HG LEU 2 1.769 4.392 0.754
19 HD11 LEU 2 1HD1 LEU 2 -0.194 5.194 2.184
20 HD12 LEU 2 2HD1 LEU 2 -1.153 5.066 0.709
21 HD13 LEU 2 3HD1 LEU 2 0.235 6.152 0.766
22 HD21 LEU 2 3HD2 LEU 2 0.111 3.087 2.403
23 HD22 LEU 2 1HD2 LEU 2 1.460 2.307 1.576
24 HD23 LEU 2 2HD2 LEU 2 -0.173 2.170 0.923
25 H TYR 3 H TYR 3 4.058 2.928 -2.492
26 HA TYR 3 HA TYR 3 4.858 5.705 -2.027
27 HB2 TYR 3 2HB TYR 3 7.036 4.848 -1.056
28 HB3 TYR 3 3HB TYR 3 5.622 4.675 -0.023
29 HD1 TYR 3 HD2 TYR 3 7.853 2.821 -2.335
30 HD2 TYR 3 HD1 TYR 3 4.965 2.562 0.778
31 HE1 TYR 3 HE2 TYR 3 8.318 0.416 -2.111
32 HE2 TYR 3 HE1 TYR 3 5.422 0.157 1.012
33 HH TYR 3 HH TYR 3 6.333 -1.677 -0.268
34 H ARG 4 H ARG 4 5.656 6.453 -3.865
35 HA ARG 4 HA ARG 4 6.471 4.724 -5.990
36 HB2 ARG 4 2HB ARG 4 6.993 6.834 -7.184
37 HB3 ARG 4 3HB ARG 4 5.369 6.811 -6.510
38 HG2 ARG 4 2HG ARG 4 5.851 8.810 -5.669
39 HG3 ARG 4 3HG ARG 4 6.854 7.951 -4.499
40 HD2 ARG 4 2HD ARG 4 8.629 9.020 -5.296
41 HD3 ARG 4 3HD ARG 4 8.395 8.194 -6.836
42 HE ARG 4 HE ARG 4 6.667 10.362 -6.813
43 HH11 ARG 4 1HH1 ARG 4 10.100 9.793 -6.705
44 HH12 ARG 4 2HH1 ARG 4 10.504 11.285 -7.488
45 HH21 ARG 4 1HH2 ARG 4 7.186 12.329 -7.845
46 HH22 ARG 4 2HH2 ARG 4 8.846 12.727 -8.135
47 H ARG 5 H ARG 5 8.041 4.296 -3.684
48 HA ARG 5 HA ARG 5 10.543 5.629 -3.837
49 HB2 ARG 5 2HB ARG 5 11.192 4.295 -2.088
50 HB3 ARG 5 3HB ARG 5 9.445 4.158 -1.934
51 HG2 ARG 5 2HG ARG 5 9.504 2.036 -3.145
52 HG3 ARG 5 3HG ARG 5 11.257 2.175 -3.294
53 HD2 ARG 5 2HD ARG 5 11.479 2.122 -0.869
54 HD3 ARG 5 3HD ARG 5 9.726 2.035 -0.699
55 HE ARG 5 HE ARG 5 10.386 -0.103 -2.273
56 HH11 ARG 5 1HH1 ARG 5 11.311 1.032 0.885
57 HH12 ARG 5 2HH1 ARG 5 11.612 -0.556 1.511
58 HH21 ARG 5 1HH2 ARG 5 10.779 -2.198 -1.462
59 HH22 ARG 5 2HH2 ARG 5 11.310 -2.392 0.175
60 H ARG 6 H ARG 6 9.407 2.478 -5.021
61 HA ARG 6 HA ARG 6 11.925 1.931 -6.324
62 HB2 ARG 6 2HB ARG 6 9.273 0.480 -6.381
63 HB3 ARG 6 3HB ARG 6 10.735 -0.093 -7.173
64 HG2 ARG 6 2HG ARG 6 10.588 0.451 -4.223
65 HG3 ARG 6 3HG ARG 6 10.207 -1.117 -4.936
66 HD2 ARG 6 2HD ARG 6 12.553 -0.769 -6.091
67 HD3 ARG 6 3HD ARG 6 12.820 0.289 -4.706
68 HE ARG 6 HE ARG 6 11.817 -2.316 -4.011
69 HH11 ARG 6 1HH1 ARG 6 14.657 -0.410 -4.657
70 HH12 ARG 6 2HH1 ARG 6 15.715 -1.442 -3.751
71 HH21 ARG 6 1HH2 ARG 6 13.198 -3.682 -2.815
72 HH22 ARG 6 2HH2 ARG 6 14.884 -3.303 -2.704
73 H PHE 7 H PHE 7 8.573 2.211 -7.523
74 HA PHE 7 HA PHE 7 9.616 3.573 -9.904
75 HB2 PHE 7 2HB PHE 7 8.022 2.253 -11.308
76 HB3 PHE 7 3HB PHE 7 9.319 1.288 -10.609
77 HD1 PHE 7 HD2 PHE 7 8.447 0.704 -7.944
78 HD2 PHE 7 HD1 PHE 7 6.155 0.937 -11.523
79 HE1 PHE 7 HE2 PHE 7 6.784 -0.828 -6.975
80 HE2 PHE 7 HE1 PHE 7 4.487 -0.594 -10.559
81 HZ PHE 7 HZ PHE 7 4.801 -1.480 -8.282
82 H VAL 8 H VAL 8 6.373 2.396 -9.091
83 HA VAL 8 HA VAL 8 5.485 5.183 -8.780
84 HB VAL 8 HB VAL 8 4.130 5.110 -10.539
85 HG11 VAL 8 1HG1 VAL 8 5.562 2.509 -10.932
86 HG12 VAL 8 2HG1 VAL 8 4.329 3.044 -12.076
87 HG13 VAL 8 3HG1 VAL 8 5.762 4.033 -11.796
88 HG21 VAL 8 3HG2 VAL 8 2.522 3.119 -10.827
89 HG22 VAL 8 1HG2 VAL 8 3.157 2.572 -9.275
90 HG23 VAL 8 2HG2 VAL 8 2.347 4.134 -9.395
91 H VAL 9 H VAL 9 5.863 2.405 -7.244
92 HA VAL 9 HA VAL 9 3.539 1.485 -6.180
93 HB VAL 9 HB VAL 9 5.174 1.736 -3.929
94 HG11 VAL 9 1HG1 VAL 9 5.861 -0.660 -4.732
95 HG12 VAL 9 2HG1 VAL 9 4.195 -0.319 -4.260
96 HG13 VAL 9 3HG1 VAL 9 4.636 -0.374 -5.967
97 HG21 VAL 9 3HG2 VAL 9 7.018 0.900 -6.102
98 HG22 VAL 9 1HG2 VAL 9 6.786 2.627 -5.835
99 HG23 VAL 9 2HG2 VAL 9 7.373 1.603 -4.525
100 H GLY 10 H GLY 10 4.401 4.676 -6.206
101 HA2 GLY 10 2HA GLY 10 3.895 5.868 -3.847
102 HA3 GLY 10 3HA GLY 10 3.237 6.490 -5.353
103 H ARG 11 H ARG 11 1.598 3.992 -5.654
104 HA ARG 11 HA ARG 11 -0.406 4.535 -3.567
105 HB2 ARG 11 2HB ARG 11 -1.807 3.741 -5.864
106 HB3 ARG 11 3HB ARG 11 -1.784 5.338 -5.127
107 HG2 ARG 11 2HG ARG 11 -0.215 6.149 -6.618
108 HG3 ARG 11 3HG ARG 11 0.369 4.537 -7.036
109 HD2 ARG 11 2HD ARG 11 -1.044 4.426 -8.746
110 HD3 ARG 11 3HD ARG 11 -2.411 4.741 -7.679
111 HE ARG 11 HE ARG 11 -0.946 7.107 -8.376
112 HH11 ARG 11 1HH1 ARG 11 -3.450 4.906 -9.380
113 HH12 ARG 11 2HH1 ARG 11 -4.251 6.070 -10.384
114 HH21 ARG 11 1HH2 ARG 11 -1.991 8.648 -9.694
115 HH22 ARG 11 2HH2 ARG 11 -3.420 8.197 -10.562
Start of MODEL 9
1 H1 ARG 1 H ARG 1 0.675 0.063 -0.492
2 HA ARG 1 HA ARG 1 3.399 -0.202 -1.551
3 HB2 ARG 1 2HB ARG 1 0.869 -1.295 -2.759
4 HB3 ARG 1 3HB ARG 1 2.278 -0.931 -3.747
5 HG2 ARG 1 2HG ARG 1 3.241 -2.844 -3.185
6 HG3 ARG 1 3HG ARG 1 3.037 -2.504 -1.466
7 HD2 ARG 1 2HD ARG 1 0.834 -3.570 -3.220
8 HD3 ARG 1 3HD ARG 1 1.928 -4.605 -2.304
9 HE ARG 1 HE ARG 1 0.676 -2.631 -0.664
10 HH11 ARG 1 1HH1 ARG 1 0.221 -5.733 -2.178
11 HH12 ARG 1 2HH1 ARG 1 -0.960 -6.267 -1.028
12 HH21 ARG 1 1HH2 ARG 1 -0.878 -3.322 0.856
13 HH22 ARG 1 2HH2 ARG 1 -1.585 -4.894 0.697
14 H LEU 2 H LEU 2 2.083 2.125 -0.603
15 HA LEU 2 HA LEU 2 1.497 3.593 -3.083
16 HB2 LEU 2 2HB LEU 2 0.444 5.269 -1.681
17 HB3 LEU 2 3HB LEU 2 -0.254 3.677 -1.392
18 HG LEU 2 HG LEU 2 1.901 4.647 0.425
19 HD11 LEU 2 1HD1 LEU 2 -0.945 5.616 0.411
20 HD12 LEU 2 2HD1 LEU 2 0.534 6.575 0.412
21 HD13 LEU 2 3HD1 LEU 2 0.079 5.655 1.846
22 HD21 LEU 2 3HD2 LEU 2 -0.270 2.652 0.411
23 HD22 LEU 2 1HD2 LEU 2 0.019 3.471 1.945
24 HD23 LEU 2 2HD2 LEU 2 1.328 2.591 1.156
25 H TYR 3 H TYR 3 4.107 3.094 -2.845
26 HA TYR 3 HA TYR 3 5.205 5.733 -2.217
27 HB2 TYR 3 2HB TYR 3 7.242 4.583 -1.239
28 HB3 TYR 3 3HB TYR 3 5.787 4.532 -0.249
29 HD1 TYR 3 HD1 TYR 3 7.854 2.534 -2.595
30 HD2 TYR 3 HD2 TYR 3 4.863 2.476 0.430
31 HE1 TYR 3 HE1 TYR 3 8.030 0.084 -2.476
32 HE2 TYR 3 HE2 TYR 3 5.031 0.026 0.558
33 HH TYR 3 HH TYR 3 5.892 -1.812 -0.385
34 H ARG 4 H ARG 4 6.146 6.470 -3.991
35 HA ARG 4 HA ARG 4 6.814 4.766 -6.185
36 HB2 ARG 4 2HB ARG 4 7.421 6.769 -7.348
37 HB3 ARG 4 3HB ARG 4 5.975 7.115 -6.409
38 HG2 ARG 4 2HG ARG 4 7.923 7.837 -4.662
39 HG3 ARG 4 3HG ARG 4 8.669 8.243 -6.209
40 HD2 ARG 4 2HD ARG 4 6.899 9.697 -6.789
41 HD3 ARG 4 3HD ARG 4 5.875 9.087 -5.490
42 HE ARG 4 HE ARG 4 7.899 11.110 -5.291
43 HH11 ARG 4 1HH1 ARG 4 6.133 8.664 -3.552
44 HH12 ARG 4 2HH1 ARG 4 6.353 9.419 -2.008
45 HH21 ARG 4 1HH2 ARG 4 8.195 12.112 -3.263
46 HH22 ARG 4 2HH2 ARG 4 7.524 11.380 -1.845
47 H ARG 5 H ARG 5 8.249 4.048 -3.853
48 HA ARG 5 HA ARG 5 10.896 5.066 -3.875
49 HB2 ARG 5 2HB ARG 5 11.327 3.570 -2.189
50 HB3 ARG 5 3HB ARG 5 9.573 3.648 -2.082
51 HG2 ARG 5 2HG ARG 5 9.414 1.603 -3.432
52 HG3 ARG 5 3HG ARG 5 11.176 1.518 -3.482
53 HD2 ARG 5 2HD ARG 5 9.647 1.603 -0.897
54 HD3 ARG 5 3HD ARG 5 9.984 0.090 -1.737
55 HE ARG 5 HE ARG 5 12.237 0.312 -1.203
56 HH11 ARG 5 1HH1 ARG 5 10.416 3.092 -0.166
57 HH12 ARG 5 2HH1 ARG 5 11.678 3.703 0.851
58 HH21 ARG 5 1HH2 ARG 5 13.907 1.106 0.133
59 HH22 ARG 5 2HH2 ARG 5 13.664 2.573 1.020
60 H ARG 6 H ARG 6 9.429 2.140 -5.258
61 HA ARG 6 HA ARG 6 11.904 1.361 -6.526
62 HB2 ARG 6 2HB ARG 6 9.102 0.243 -6.721
63 HB3 ARG 6 3HB ARG 6 10.506 -0.459 -7.513
64 HG2 ARG 6 2HG ARG 6 10.340 -0.057 -4.540
65 HG3 ARG 6 3HG ARG 6 9.804 -1.531 -5.350
66 HD2 ARG 6 2HD ARG 6 12.264 -1.240 -6.428
67 HD3 ARG 6 3HD ARG 6 12.526 -0.525 -4.838
68 HE ARG 6 HE ARG 6 12.359 -2.611 -3.911
69 HH11 ARG 6 1HH1 ARG 6 11.105 -2.700 -7.157
70 HH12 ARG 6 2HH1 ARG 6 10.938 -4.424 -7.185
71 HH21 ARG 6 1HH2 ARG 6 12.145 -4.882 -3.935
72 HH22 ARG 6 2HH2 ARG 6 11.529 -5.664 -5.352
73 H PHE 7 H PHE 7 8.646 2.087 -7.795
74 HA PHE 7 HA PHE 7 9.913 3.438 -10.071
75 HB2 PHE 7 2HB PHE 7 8.221 2.387 -11.583
76 HB3 PHE 7 3HB PHE 7 9.375 1.243 -10.905
77 HD1 PHE 7 HD2 PHE 7 8.359 0.632 -8.297
78 HD2 PHE 7 HD1 PHE 7 6.221 1.310 -11.914
79 HE1 PHE 7 HE2 PHE 7 6.502 -0.741 -7.452
80 HE2 PHE 7 HE1 PHE 7 4.359 -0.062 -11.074
81 HZ PHE 7 HZ PHE 7 4.498 -1.090 -8.841
82 H VAL 8 H VAL 8 6.531 2.612 -9.407
83 HA VAL 8 HA VAL 8 5.964 5.465 -8.972
84 HB VAL 8 HB VAL 8 4.659 5.634 -10.763
85 HG11 VAL 8 1HG1 VAL 8 5.794 2.907 -11.256
86 HG12 VAL 8 2HG1 VAL 8 4.665 3.638 -12.399
87 HG13 VAL 8 3HG1 VAL 8 6.194 4.438 -12.034
88 HG21 VAL 8 3HG2 VAL 8 2.845 3.857 -11.189
89 HG22 VAL 8 1HG2 VAL 8 3.366 3.169 -9.651
90 HG23 VAL 8 2HG2 VAL 8 2.743 4.818 -9.714
91 H VAL 9 H VAL 9 5.972 2.590 -7.571
92 HA VAL 9 HA VAL 9 3.527 1.899 -6.608
93 HB VAL 9 HB VAL 9 5.117 1.852 -4.311
94 HG11 VAL 9 1HG1 VAL 9 5.541 -0.569 -5.217
95 HG12 VAL 9 2HG1 VAL 9 3.915 -0.055 -4.761
96 HG13 VAL 9 3HG1 VAL 9 4.389 -0.083 -6.460
97 HG21 VAL 9 3HG2 VAL 9 6.909 0.906 -6.483
98 HG22 VAL 9 1HG2 VAL 9 6.874 2.634 -6.133
99 HG23 VAL 9 2HG2 VAL 9 7.301 1.486 -4.864
100 H GLY 10 H GLY 10 4.762 4.965 -6.448
101 HA2 GLY 10 2HA GLY 10 4.326 6.095 -4.047
102 HA3 GLY 10 3HA GLY 10 3.787 6.861 -5.534
103 H ARG 11 H ARG 11 1.875 4.602 -6.006
104 HA ARG 11 HA ARG 11 -0.111 5.276 -3.940
105 HB2 ARG 11 2HB ARG 11 -1.576 4.771 -6.245
106 HB3 ARG 11 3HB ARG 11 -1.279 6.345 -5.519
107 HG2 ARG 11 2HG ARG 11 0.294 6.919 -7.065
108 HG3 ARG 11 3HG ARG 11 0.776 5.247 -7.357
109 HD2 ARG 11 2HD ARG 11 -1.756 6.584 -8.302
110 HD3 ARG 11 3HD ARG 11 -0.372 6.136 -9.297
111 HE ARG 11 HE ARG 11 -1.161 3.797 -8.132
112 HH11 ARG 11 1HH1 ARG 11 -2.719 6.227 -10.079
113 HH12 ARG 11 2HH1 ARG 11 -3.829 5.116 -10.810
114 HH21 ARG 11 1HH2 ARG 11 -2.618 2.325 -9.087
115 HH22 ARG 11 2HH2 ARG 11 -3.772 2.897 -10.244
Start of MODEL 10
1 H1 ARG 1 H ARG 1 1.612 -0.518 0.655
2 HA ARG 1 HA ARG 1 3.036 -0.068 -1.183
3 HB2 ARG 1 2HB ARG 1 0.799 -1.672 -1.552
4 HB3 ARG 1 3HB ARG 1 0.806 -0.630 -2.968
5 HG2 ARG 1 2HG ARG 1 2.491 -1.745 -3.883
6 HG3 ARG 1 3HG ARG 1 3.445 -1.656 -2.401
7 HD2 ARG 1 2HD ARG 1 1.761 -3.504 -1.592
8 HD3 ARG 1 3HD ARG 1 1.551 -3.765 -3.324
9 HE ARG 1 HE ARG 1 3.795 -4.523 -1.740
10 HH11 ARG 1 1HH1 ARG 1 2.847 -3.465 -4.919
11 HH12 ARG 1 2HH1 ARG 1 4.190 -4.218 -5.712
12 HH21 ARG 1 1HH2 ARG 1 5.568 -5.518 -2.773
13 HH22 ARG 1 2HH2 ARG 1 5.737 -5.387 -4.491
14 H LEU 2 H LEU 2 1.830 2.419 -0.334
15 HA LEU 2 HA LEU 2 1.284 3.719 -2.914
16 HB2 LEU 2 2HB LEU 2 0.611 5.647 -1.294
17 HB3 LEU 2 3HB LEU 2 -0.489 4.302 -1.589
18 HG LEU 2 HG LEU 2 0.122 3.299 0.533
19 HD11 LEU 2 1HD1 LEU 2 1.569 4.565 2.109
20 HD12 LEU 2 2HD1 LEU 2 2.003 5.640 0.781
21 HD13 LEU 2 3HD1 LEU 2 2.427 3.930 0.705
22 HD21 LEU 2 3HD2 LEU 2 -1.280 4.600 1.715
23 HD22 LEU 2 1HD2 LEU 2 -1.446 5.480 0.196
24 HD23 LEU 2 2HD2 LEU 2 -0.331 6.060 1.433
25 H TYR 3 H TYR 3 3.869 3.135 -2.659
26 HA TYR 3 HA TYR 3 5.083 5.761 -2.202
27 HB2 TYR 3 2HB TYR 3 7.070 4.640 -1.164
28 HB3 TYR 3 3HB TYR 3 5.611 4.571 -0.181
29 HD1 TYR 3 HD1 TYR 3 7.772 2.598 -2.453
30 HD2 TYR 3 HD2 TYR 3 4.676 2.497 0.464
31 HE1 TYR 3 HE1 TYR 3 7.992 0.152 -2.313
32 HE2 TYR 3 HE2 TYR 3 4.888 0.051 0.613
33 HH TYR 3 HH TYR 3 7.171 -1.724 -1.446
34 H ARG 4 H ARG 4 5.945 6.359 -4.066
35 HA ARG 4 HA ARG 4 6.568 4.483 -6.138
36 HB2 ARG 4 2HB ARG 4 7.164 6.414 -7.462
37 HB3 ARG 4 3HB ARG 4 5.678 6.755 -6.586
38 HG2 ARG 4 2HG ARG 4 7.657 7.662 -4.888
39 HG3 ARG 4 3HG ARG 4 8.240 8.101 -6.495
40 HD2 ARG 4 2HD ARG 4 6.547 9.571 -6.856
41 HD3 ARG 4 3HD ARG 4 5.388 8.631 -5.917
42 HE ARG 4 HE ARG 4 5.924 9.885 -4.086
43 HH11 ARG 4 1HH1 ARG 4 8.438 10.242 -6.468
44 HH12 ARG 4 2HH1 ARG 4 9.279 11.473 -5.586
45 HH21 ARG 4 1HH2 ARG 4 7.022 11.506 -2.915
46 HH22 ARG 4 2HH2 ARG 4 8.473 12.191 -3.565
47 H ARG 5 H ARG 5 8.074 3.840 -3.913
48 HA ARG 5 HA ARG 5 10.708 4.940 -4.057
49 HB2 ARG 5 2HB ARG 5 11.218 3.585 -2.272
50 HB3 ARG 5 3HB ARG 5 9.470 3.683 -2.101
51 HG2 ARG 5 2HG ARG 5 9.247 1.530 -3.255
52 HG3 ARG 5 3HG ARG 5 11.004 1.431 -3.381
53 HD2 ARG 5 2HD ARG 5 9.630 1.769 -0.734
54 HD3 ARG 5 3HD ARG 5 9.860 0.177 -1.458
55 HE ARG 5 HE ARG 5 12.328 1.453 -1.471
56 HH11 ARG 5 1HH1 ARG 5 10.009 0.297 0.855
57 HH12 ARG 5 2HH1 ARG 5 11.198 -0.029 2.073
58 HH21 ARG 5 1HH2 ARG 5 13.902 1.029 0.125
59 HH22 ARG 5 2HH2 ARG 5 13.412 0.389 1.657
60 H ARG 6 H ARG 6 9.234 1.888 -5.127
61 HA ARG 6 HA ARG 6 11.674 1.032 -6.413
62 HB2 ARG 6 2HB ARG 6 9.041 -0.278 -6.933
63 HB3 ARG 6 3HB ARG 6 10.634 -1.002 -6.752
64 HG2 ARG 6 2HG ARG 6 10.462 -0.270 -4.297
65 HG3 ARG 6 3HG ARG 6 8.741 -0.071 -4.631
66 HD2 ARG 6 2HD ARG 6 8.403 -2.261 -4.467
67 HD3 ARG 6 3HD ARG 6 9.656 -2.585 -5.665
68 HE ARG 6 HE ARG 6 9.902 -2.757 -2.798
69 HH11 ARG 6 1HH1 ARG 6 11.588 -2.423 -5.826
70 HH12 ARG 6 2HH1 ARG 6 13.085 -3.039 -5.209
71 HH21 ARG 6 1HH2 ARG 6 11.868 -3.569 -1.974
72 HH22 ARG 6 2HH2 ARG 6 13.243 -3.691 -3.018
73 H PHE 7 H PHE 7 8.362 1.650 -7.596
74 HA PHE 7 HA PHE 7 9.532 2.748 -10.056
75 HB2 PHE 7 2HB PHE 7 7.779 1.600 -11.382
76 HB3 PHE 7 3HB PHE 7 8.873 0.471 -10.588
77 HD1 PHE 7 HD1 PHE 7 7.869 0.250 -7.910
78 HD2 PHE 7 HD2 PHE 7 5.715 0.611 -11.563
79 HE1 PHE 7 HE1 PHE 7 5.946 -0.893 -6.885
80 HE2 PHE 7 HE2 PHE 7 3.788 -0.530 -10.543
81 HZ PHE 7 HZ PHE 7 3.901 -1.283 -8.201
82 H VAL 8 H VAL 8 6.163 2.098 -9.194
83 HA VAL 8 HA VAL 8 5.702 4.992 -8.943
84 HB VAL 8 HB VAL 8 4.382 5.090 -10.727
85 HG11 VAL 8 1HG1 VAL 8 5.411 2.302 -11.023
86 HG12 VAL 8 2HG1 VAL 8 4.222 2.925 -12.169
87 HG13 VAL 8 3HG1 VAL 8 5.774 3.740 -11.976
88 HG21 VAL 8 3HG2 VAL 8 2.464 3.387 -10.975
89 HG22 VAL 8 1HG2 VAL 8 2.986 2.796 -9.397
90 HG23 VAL 8 2HG2 VAL 8 2.452 4.466 -9.580
91 H VAL 9 H VAL 9 5.668 2.243 -7.336
92 HA VAL 9 HA VAL 9 3.232 1.666 -6.285
93 HB VAL 9 HB VAL 9 4.846 1.774 -4.011
94 HG11 VAL 9 1HG1 VAL 9 5.235 -0.704 -4.691
95 HG12 VAL 9 2HG1 VAL 9 3.597 -0.143 -4.351
96 HG13 VAL 9 3HG1 VAL 9 4.140 -0.325 -6.020
97 HG21 VAL 9 3HG2 VAL 9 6.624 0.642 -6.096
98 HG22 VAL 9 1HG2 VAL 9 6.585 2.397 -5.928
99 HG23 VAL 9 2HG2 VAL 9 7.023 1.389 -4.548
100 H GLY 10 H GLY 10 4.534 4.717 -6.365
101 HA2 GLY 10 2HA GLY 10 4.130 6.032 -4.056
102 HA3 GLY 10 3HA GLY 10 3.600 6.695 -5.594
103 H ARG 11 H ARG 11 1.643 4.439 -5.884
104 HA ARG 11 HA ARG 11 -0.322 5.312 -3.872
105 HB2 ARG 11 2HB ARG 11 -1.953 4.816 -5.923
106 HB3 ARG 11 3HB ARG 11 -1.237 6.399 -5.654
107 HG2 ARG 11 2HG ARG 11 0.664 5.505 -7.185
108 HG3 ARG 11 3HG ARG 11 -0.556 4.336 -7.697
109 HD2 ARG 11 2HD ARG 11 -1.135 7.279 -7.650
110 HD3 ARG 11 3HD ARG 11 -0.324 6.528 -9.024
111 HE ARG 11 HE ARG 11 -2.694 5.122 -8.358
112 HH11 ARG 11 1HH1 ARG 11 -1.552 8.034 -9.887
113 HH12 ARG 11 2HH1 ARG 11 -2.930 8.184 -10.926
114 HH21 ARG 11 1HH2 ARG 11 -4.514 5.309 -9.721
115 HH22 ARG 11 2HH2 ARG 11 -4.615 6.634 -10.830
Start of MODEL 11
1 H1 ARG 1 H ARG 1 1.696 0.315 0.624
2 HA ARG 1 HA ARG 1 3.133 -0.124 -1.163
3 HB2 ARG 1 2HB ARG 1 0.667 -0.947 -2.706
4 HB3 ARG 1 3HB ARG 1 2.337 -1.133 -3.224
5 HG2 ARG 1 2HG ARG 1 2.753 -2.753 -1.508
6 HG3 ARG 1 3HG ARG 1 1.160 -2.476 -0.803
7 HD2 ARG 1 2HD ARG 1 1.141 -4.512 -2.111
8 HD3 ARG 1 3HD ARG 1 0.122 -3.294 -2.878
9 HE ARG 1 HE ARG 1 1.516 -3.329 -4.688
10 HH11 ARG 1 1HH1 ARG 1 3.148 -4.781 -1.978
11 HH12 ARG 1 2HH1 ARG 1 4.509 -5.308 -2.912
12 HH21 ARG 1 1HH2 ARG 1 3.302 -4.017 -5.929
13 HH22 ARG 1 2HH2 ARG 1 4.596 -4.871 -5.159
14 H LEU 2 H LEU 2 1.932 2.306 -0.382
15 HA LEU 2 HA LEU 2 1.468 3.667 -2.948
16 HB2 LEU 2 2HB LEU 2 0.759 5.563 -1.307
17 HB3 LEU 2 3HB LEU 2 -0.339 4.231 -1.661
18 HG LEU 2 HG LEU 2 0.206 3.180 0.456
19 HD11 LEU 2 1HD1 LEU 2 2.508 3.793 0.705
20 HD12 LEU 2 2HD1 LEU 2 1.615 4.401 2.099
21 HD13 LEU 2 3HD1 LEU 2 2.091 5.504 0.808
22 HD21 LEU 2 3HD2 LEU 2 -1.570 4.928 0.321
23 HD22 LEU 2 1HD2 LEU 2 -0.389 6.100 0.906
24 HD23 LEU 2 2HD2 LEU 2 -0.860 4.739 1.925
25 H TYR 3 H TYR 3 4.042 3.058 -2.626
26 HA TYR 3 HA TYR 3 5.258 5.666 -2.079
27 HB2 TYR 3 2HB TYR 3 7.205 4.510 -1.007
28 HB3 TYR 3 3HB TYR 3 5.718 4.431 -0.069
29 HD1 TYR 3 HD2 TYR 3 7.932 2.490 -2.316
30 HD2 TYR 3 HD1 TYR 3 4.752 2.352 0.508
31 HE1 TYR 3 HE2 TYR 3 8.130 0.040 -2.221
32 HE2 TYR 3 HE1 TYR 3 4.943 -0.098 0.612
33 HH TYR 3 HH TYR 3 7.230 -1.793 -0.011
34 H ARG 4 H ARG 4 6.178 6.298 -3.904
35 HA ARG 4 HA ARG 4 6.851 4.461 -5.995
36 HB2 ARG 4 2HB ARG 4 7.497 6.415 -7.261
37 HB3 ARG 4 3HB ARG 4 5.988 6.748 -6.421
38 HG2 ARG 4 2HG ARG 4 7.614 7.736 -4.599
39 HG3 ARG 4 3HG ARG 4 8.696 7.884 -5.985
40 HD2 ARG 4 2HD ARG 4 7.660 9.816 -6.403
41 HD3 ARG 4 3HD ARG 4 6.301 8.837 -6.952
42 HE ARG 4 HE ARG 4 6.267 9.300 -4.128
43 HH11 ARG 4 1HH1 ARG 4 5.443 10.648 -7.230
44 HH12 ARG 4 2HH1 ARG 4 4.192 11.668 -6.600
45 HH21 ARG 4 1HH2 ARG 4 4.622 10.638 -3.287
46 HH22 ARG 4 2HH2 ARG 4 3.727 11.662 -4.357
47 H ARG 5 H ARG 5 8.286 3.762 -3.741
48 HA ARG 5 HA ARG 5 10.930 4.847 -3.785
49 HB2 ARG 5 2HB ARG 5 11.379 3.453 -2.014
50 HB3 ARG 5 3HB ARG 5 9.628 3.560 -1.891
51 HG2 ARG 5 2HG ARG 5 9.427 1.433 -3.100
52 HG3 ARG 5 3HG ARG 5 11.187 1.322 -3.166
53 HD2 ARG 5 2HD ARG 5 9.691 1.595 -0.574
54 HD3 ARG 5 3HD ARG 5 10.005 0.027 -1.317
55 HE ARG 5 HE ARG 5 12.266 0.262 -0.823
56 HH11 ARG 5 1HH1 ARG 5 10.480 3.122 0.047
57 HH12 ARG 5 2HH1 ARG 5 11.759 3.786 1.009
58 HH21 ARG 5 1HH2 ARG 5 13.957 1.127 0.440
59 HH22 ARG 5 2HH2 ARG 5 13.737 2.651 1.230
60 H ARG 6 H ARG 6 9.470 1.827 -4.959
61 HA ARG 6 HA ARG 6 11.942 0.980 -6.189
62 HB2 ARG 6 2HB ARG 6 9.311 -0.297 -6.806
63 HB3 ARG 6 3HB ARG 6 10.894 -1.038 -6.610
64 HG2 ARG 6 2HG ARG 6 10.666 -0.344 -4.138
65 HG3 ARG 6 3HG ARG 6 8.951 -0.163 -4.514
66 HD2 ARG 6 2HD ARG 6 9.275 -2.364 -3.655
67 HD3 ARG 6 3HD ARG 6 8.978 -2.503 -5.388
68 HE ARG 6 HE ARG 6 11.763 -2.375 -4.778
69 HH11 ARG 6 1HH1 ARG 6 9.004 -4.495 -4.878
70 HH12 ARG 6 2HH1 ARG 6 9.950 -5.929 -5.100
71 HH21 ARG 6 1HH2 ARG 6 13.020 -4.256 -5.071
72 HH22 ARG 6 2HH2 ARG 6 12.234 -5.792 -5.209
73 H PHE 7 H PHE 7 8.671 1.645 -7.458
74 HA PHE 7 HA PHE 7 9.921 2.784 -9.859
75 HB2 PHE 7 2HB PHE 7 8.202 1.676 -11.260
76 HB3 PHE 7 3HB PHE 7 9.264 0.524 -10.457
77 HD1 PHE 7 HD1 PHE 7 8.179 0.254 -7.815
78 HD2 PHE 7 HD2 PHE 7 6.137 0.706 -11.522
79 HE1 PHE 7 HE1 PHE 7 6.218 -0.895 -6.872
80 HE2 PHE 7 HE2 PHE 7 4.173 -0.441 -10.585
81 HZ PHE 7 HZ PHE 7 4.212 -1.243 -8.256
82 H VAL 8 H VAL 8 6.524 2.141 -9.110
83 HA VAL 8 HA VAL 8 6.074 5.032 -8.815
84 HB VAL 8 HB VAL 8 4.810 5.177 -10.635
85 HG11 VAL 8 1HG1 VAL 8 5.829 2.388 -10.958
86 HG12 VAL 8 2HG1 VAL 8 4.680 3.042 -12.126
87 HG13 VAL 8 3HG1 VAL 8 6.231 3.843 -11.870
88 HG21 VAL 8 3HG2 VAL 8 2.889 3.493 -10.975
89 HG22 VAL 8 1HG2 VAL 8 3.359 2.866 -9.395
90 HG23 VAL 8 2HG2 VAL 8 2.842 4.544 -9.560
91 H VAL 9 H VAL 9 5.974 2.252 -7.266
92 HA VAL 9 HA VAL 9 3.504 1.672 -6.301
93 HB VAL 9 HB VAL 9 5.048 1.720 -3.978
94 HG11 VAL 9 1HG1 VAL 9 5.442 -0.746 -4.699
95 HG12 VAL 9 2HG1 VAL 9 3.799 -0.180 -4.395
96 HG13 VAL 9 3HG1 VAL 9 4.389 -0.331 -6.050
97 HG21 VAL 9 3HG2 VAL 9 6.882 0.619 -6.031
98 HG22 VAL 9 1HG2 VAL 9 6.849 2.371 -5.828
99 HG23 VAL 9 2HG2 VAL 9 7.238 1.331 -4.457
100 H GLY 10 H GLY 10 4.827 4.714 -6.280
101 HA2 GLY 10 2HA GLY 10 4.363 5.985 -3.957
102 HA3 GLY 10 3HA GLY 10 3.882 6.682 -5.496
103 H ARG 11 H ARG 11 1.921 4.445 -5.889
104 HA ARG 11 HA ARG 11 -0.094 5.284 -3.913
105 HB2 ARG 11 2HB ARG 11 -1.467 4.676 -6.283
106 HB3 ARG 11 3HB ARG 11 -1.258 6.259 -5.547
107 HG2 ARG 11 2HG ARG 11 0.497 6.824 -6.946
108 HG3 ARG 11 3HG ARG 11 0.854 5.141 -7.340
109 HD2 ARG 11 2HD ARG 11 -0.172 5.889 -9.271
110 HD3 ARG 11 3HD ARG 11 -1.513 5.151 -8.397
111 HE ARG 11 HE ARG 11 -1.406 7.855 -7.706
112 HH11 ARG 11 1HH1 ARG 11 -2.067 5.861 -10.482
113 HH12 ARG 11 2HH1 ARG 11 -3.152 7.001 -11.205
114 HH21 ARG 11 1HH2 ARG 11 -2.833 9.364 -8.648
115 HH22 ARG 11 2HH2 ARG 11 -3.587 8.993 -10.162
Start of MODEL 12
1 H1 ARG 1 H ARG 1 2.357 -0.587 0.585
2 HA ARG 1 HA ARG 1 3.715 -0.421 -1.234
3 HB2 ARG 1 2HB ARG 1 3.060 -1.465 -3.308
4 HB3 ARG 1 3HB ARG 1 2.528 -2.474 -1.970
5 HG2 ARG 1 2HG ARG 1 0.459 -0.620 -2.678
6 HG3 ARG 1 3HG ARG 1 0.999 -1.509 -4.104
7 HD2 ARG 1 2HD ARG 1 0.288 -2.839 -1.499
8 HD3 ARG 1 3HD ARG 1 -0.879 -2.567 -2.793
9 HE ARG 1 HE ARG 1 1.191 -3.862 -4.008
10 HH11 ARG 1 1HH1 ARG 1 -0.851 -4.523 -1.267
11 HH12 ARG 1 2HH1 ARG 1 -0.768 -6.244 -1.455
12 HH21 ARG 1 1HH2 ARG 1 1.308 -6.125 -4.266
13 HH22 ARG 1 2HH2 ARG 1 0.461 -7.154 -3.161
14 H LEU 2 H LEU 2 2.218 1.828 -0.370
15 HA LEU 2 HA LEU 2 1.640 3.224 -2.893
16 HB2 LEU 2 2HB LEU 2 0.686 4.958 -1.199
17 HB3 LEU 2 3HB LEU 2 -0.242 3.522 -1.624
18 HG LEU 2 HG LEU 2 0.388 2.461 0.464
19 HD11 LEU 2 1HD1 LEU 2 1.616 3.775 2.179
20 HD12 LEU 2 2HD1 LEU 2 1.982 4.973 0.938
21 HD13 LEU 2 3HD1 LEU 2 2.598 3.328 0.783
22 HD21 LEU 2 3HD2 LEU 2 -0.401 5.023 1.597
23 HD22 LEU 2 1HD2 LEU 2 -1.265 3.486 1.556
24 HD23 LEU 2 2HD2 LEU 2 -1.345 4.579 0.174
25 H TYR 3 H TYR 3 4.262 2.907 -2.538
26 HA TYR 3 HA TYR 3 5.153 5.617 -1.872
27 HB2 TYR 3 2HB TYR 3 7.204 4.658 -0.800
28 HB3 TYR 3 3HB TYR 3 5.721 4.367 0.101
29 HD1 TYR 3 HD2 TYR 3 8.190 2.791 -2.165
30 HD2 TYR 3 HD1 TYR 3 4.998 2.167 0.579
31 HE1 TYR 3 HE2 TYR 3 8.677 0.380 -2.155
32 HE2 TYR 3 HE1 TYR 3 5.477 -0.245 0.598
33 HH TYR 3 HH TYR 3 6.677 -1.897 -1.229
34 H ARG 4 H ARG 4 6.025 6.421 -3.653
35 HA ARG 4 HA ARG 4 6.945 4.757 -5.794
36 HB2 ARG 4 2HB ARG 4 7.378 6.819 -6.975
37 HB3 ARG 4 3HB ARG 4 5.826 6.942 -6.157
38 HG2 ARG 4 2HG ARG 4 7.390 8.009 -4.269
39 HG3 ARG 4 3HG ARG 4 8.336 8.424 -5.700
40 HD2 ARG 4 2HD ARG 4 5.435 9.086 -5.206
41 HD3 ARG 4 3HD ARG 4 6.790 10.214 -5.163
42 HE ARG 4 HE ARG 4 6.931 9.179 -7.657
43 HH11 ARG 4 1HH1 ARG 4 4.362 10.641 -5.817
44 HH12 ARG 4 2HH1 ARG 4 3.559 11.290 -7.208
45 HH21 ARG 4 1HH2 ARG 4 5.882 10.028 -9.496
46 HH22 ARG 4 2HH2 ARG 4 4.423 10.939 -9.300
47 H ARG 5 H ARG 5 8.413 4.145 -3.535
48 HA ARG 5 HA ARG 5 10.912 5.532 -3.486
49 HB2 ARG 5 2HB ARG 5 11.490 4.137 -1.753
50 HB3 ARG 5 3HB ARG 5 9.736 4.033 -1.665
51 HG2 ARG 5 2HG ARG 5 9.808 1.942 -2.945
52 HG3 ARG 5 3HG ARG 5 11.569 2.043 -2.986
53 HD2 ARG 5 2HD ARG 5 10.047 2.068 -0.399
54 HD3 ARG 5 3HD ARG 5 10.489 0.559 -1.196
55 HE ARG 5 HE ARG 5 12.757 2.223 -0.942
56 HH11 ARG 5 1HH1 ARG 5 10.621 0.218 0.940
57 HH12 ARG 5 2HH1 ARG 5 11.815 -0.155 2.138
58 HH21 ARG 5 1HH2 ARG 5 14.338 1.739 0.629
59 HH22 ARG 5 2HH2 ARG 5 13.929 0.711 1.961
60 H ARG 6 H ARG 6 9.838 2.404 -4.788
61 HA ARG 6 HA ARG 6 12.411 1.895 -5.994
62 HB2 ARG 6 2HB ARG 6 9.986 0.336 -6.751
63 HB3 ARG 6 3HB ARG 6 11.630 -0.218 -6.463
64 HG2 ARG 6 2HG ARG 6 11.196 0.344 -4.008
65 HG3 ARG 6 3HG ARG 6 9.493 0.424 -4.464
66 HD2 ARG 6 2HD ARG 6 11.358 -1.927 -4.558
67 HD3 ARG 6 3HD ARG 6 9.819 -1.775 -3.711
68 HE ARG 6 HE ARG 6 9.117 -1.506 -6.306
69 HH11 ARG 6 1HH1 ARG 6 10.990 -3.875 -4.573
70 HH12 ARG 6 2HH1 ARG 6 10.555 -5.180 -5.627
71 HH21 ARG 6 1HH2 ARG 6 8.538 -3.216 -7.700
72 HH22 ARG 6 2HH2 ARG 6 9.161 -4.804 -7.406
73 H PHE 7 H PHE 7 9.109 2.228 -7.311
74 HA PHE 7 HA PHE 7 10.262 3.591 -9.643
75 HB2 PHE 7 2HB PHE 7 8.712 2.344 -11.121
76 HB3 PHE 7 3HB PHE 7 9.884 1.293 -10.333
77 HD1 PHE 7 HD1 PHE 7 8.786 0.803 -7.729
78 HD2 PHE 7 HD2 PHE 7 6.780 1.152 -11.466
79 HE1 PHE 7 HE1 PHE 7 6.954 -0.599 -6.872
80 HE2 PHE 7 HE2 PHE 7 4.945 -0.249 -10.616
81 HZ PHE 7 HZ PHE 7 5.030 -1.126 -8.316
82 H VAL 8 H VAL 8 6.950 2.530 -8.993
83 HA VAL 8 HA VAL 8 6.160 5.336 -8.607
84 HB VAL 8 HB VAL 8 4.921 5.401 -10.449
85 HG11 VAL 8 1HG1 VAL 8 6.267 2.765 -10.847
86 HG12 VAL 8 2HG1 VAL 8 5.070 3.323 -12.017
87 HG13 VAL 8 3HG1 VAL 8 6.511 4.290 -11.698
88 HG21 VAL 8 3HG2 VAL 8 3.219 3.517 -10.893
89 HG22 VAL 8 1HG2 VAL 8 3.729 2.891 -9.325
90 HG23 VAL 8 2HG2 VAL 8 3.021 4.502 -9.443
91 H VAL 9 H VAL 9 6.357 2.508 -7.159
92 HA VAL 9 HA VAL 9 3.954 1.608 -6.272
93 HB VAL 9 HB VAL 9 5.440 1.749 -3.914
94 HG11 VAL 9 1HG1 VAL 9 6.131 -0.626 -4.711
95 HG12 VAL 9 2HG1 VAL 9 4.427 -0.266 -4.424
96 HG13 VAL 9 3HG1 VAL 9 5.061 -0.286 -6.070
97 HG21 VAL 9 3HG2 VAL 9 7.426 0.943 -5.962
98 HG22 VAL 9 1HG2 VAL 9 7.186 2.671 -5.701
99 HG23 VAL 9 2HG2 VAL 9 7.668 1.635 -4.357
100 H GLY 10 H GLY 10 4.912 4.780 -6.114
101 HA2 GLY 10 2HA GLY 10 4.261 5.902 -3.760
102 HA3 GLY 10 3HA GLY 10 3.727 6.595 -5.284
103 H ARG 11 H ARG 11 2.050 4.162 -5.796
104 HA ARG 11 HA ARG 11 -0.083 4.684 -3.834
105 HB2 ARG 11 2HB ARG 11 -1.334 4.009 -6.254
106 HB3 ARG 11 3HB ARG 11 -1.327 5.576 -5.457
107 HG2 ARG 11 2HG ARG 11 0.373 6.397 -6.795
108 HG3 ARG 11 3HG ARG 11 0.933 4.785 -7.243
109 HD2 ARG 11 2HD ARG 11 -0.143 5.556 -9.163
110 HD3 ARG 11 3HD ARG 11 -1.346 4.526 -8.388
111 HE ARG 11 HE ARG 11 -1.812 7.073 -7.446
112 HH11 ARG 11 1HH1 ARG 11 -1.762 5.483 -10.543
113 HH12 ARG 11 2HH1 ARG 11 -2.949 6.530 -11.246
114 HH21 ARG 11 1HH2 ARG 11 -3.375 8.459 -8.361
115 HH22 ARG 11 2HH2 ARG 11 -3.865 8.224 -10.005
Start of MODEL 13
1 H1 ARG 1 H ARG 1 1.268 0.353 0.310
2 HA ARG 1 HA ARG 1 3.870 -0.164 -0.811
3 HB2 ARG 1 2HB ARG 1 2.877 -1.255 -2.876
4 HB3 ARG 1 3HB ARG 1 2.948 -2.255 -1.431
5 HG2 ARG 1 2HG ARG 1 0.653 -2.163 -1.100
6 HG3 ARG 1 3HG ARG 1 0.469 -0.724 -2.104
7 HD2 ARG 1 2HD ARG 1 1.519 -3.191 -3.382
8 HD3 ARG 1 3HD ARG 1 -0.194 -3.143 -2.968
9 HE ARG 1 HE ARG 1 0.557 -0.790 -4.349
10 HH11 ARG 1 1HH1 ARG 1 -0.066 -4.179 -4.845
11 HH12 ARG 1 2HH1 ARG 1 -0.554 -3.981 -6.496
12 HH21 ARG 1 1HH2 ARG 1 -0.084 -0.517 -6.521
13 HH22 ARG 1 2HH2 ARG 1 -0.563 -1.898 -7.448
14 H LEU 2 H LEU 2 2.430 2.180 -0.142
15 HA LEU 2 HA LEU 2 1.756 3.301 -2.776
16 HB2 LEU 2 2HB LEU 2 0.887 5.220 -1.242
17 HB3 LEU 2 3HB LEU 2 -0.068 3.757 -1.471
18 HG LEU 2 HG LEU 2 0.641 2.920 0.692
19 HD11 LEU 2 1HD1 LEU 2 2.273 5.449 0.825
20 HD12 LEU 2 2HD1 LEU 2 2.869 3.790 0.827
21 HD13 LEU 2 3HD1 LEU 2 1.949 4.397 2.204
22 HD21 LEU 2 3HD2 LEU 2 -0.807 5.412 0.311
23 HD22 LEU 2 1HD2 LEU 2 -0.117 5.266 1.928
24 HD23 LEU 2 2HD2 LEU 2 -1.199 4.015 1.315
25 H TYR 3 H TYR 3 4.389 2.993 -2.496
26 HA TYR 3 HA TYR 3 5.328 5.747 -2.166
27 HB2 TYR 3 2HB TYR 3 7.414 4.885 -1.080
28 HB3 TYR 3 3HB TYR 3 5.968 4.712 -0.093
29 HD1 TYR 3 HD1 TYR 3 8.328 2.870 -2.274
30 HD2 TYR 3 HD2 TYR 3 5.247 2.584 0.647
31 HE1 TYR 3 HE1 TYR 3 8.797 0.469 -2.022
32 HE2 TYR 3 HE2 TYR 3 5.709 0.182 0.907
33 HH TYR 3 HH TYR 3 6.875 -1.559 0.168
34 H ARG 4 H ARG 4 6.130 6.344 -4.057
35 HA ARG 4 HA ARG 4 6.946 4.447 -6.041
36 HB2 ARG 4 2HB ARG 4 7.346 6.364 -7.455
37 HB3 ARG 4 3HB ARG 4 5.830 6.592 -6.593
38 HG2 ARG 4 2HG ARG 4 7.485 7.837 -4.897
39 HG3 ARG 4 3HG ARG 4 8.363 8.090 -6.407
40 HD2 ARG 4 2HD ARG 4 6.966 9.727 -6.944
41 HD3 ARG 4 3HD ARG 4 5.619 8.590 -6.907
42 HE ARG 4 HE ARG 4 6.222 9.375 -4.281
43 HH11 ARG 4 1HH1 ARG 4 4.901 10.676 -7.228
44 HH12 ARG 4 2HH1 ARG 4 3.906 11.842 -6.420
45 HH21 ARG 4 1HH2 ARG 4 4.917 10.906 -3.206
46 HH22 ARG 4 2HH2 ARG 4 3.917 11.973 -4.133
47 H ARG 5 H ARG 5 8.503 4.064 -3.791
48 HA ARG 5 HA ARG 5 11.013 5.419 -3.995
49 HB2 ARG 5 2HB ARG 5 11.652 4.213 -2.146
50 HB3 ARG 5 3HB ARG 5 9.904 4.140 -1.976
51 HG2 ARG 5 2HG ARG 5 9.905 1.922 -3.022
52 HG3 ARG 5 3HG ARG 5 11.664 1.997 -3.147
53 HD2 ARG 5 2HD ARG 5 10.253 2.321 -0.518
54 HD3 ARG 5 3HD ARG 5 10.649 0.728 -1.163
55 HE ARG 5 HE ARG 5 12.989 2.166 -1.265
56 HH11 ARG 5 1HH1 ARG 5 10.731 1.205 1.205
57 HH12 ARG 5 2HH1 ARG 5 11.927 1.140 2.456
58 HH21 ARG 5 1HH2 ARG 5 14.573 2.083 0.374
59 HH22 ARG 5 2HH2 ARG 5 14.112 1.640 1.983
60 H ARG 6 H ARG 6 9.862 2.182 -4.905
61 HA ARG 6 HA ARG 6 12.378 1.514 -6.153
62 HB2 ARG 6 2HB ARG 6 9.911 -0.089 -6.637
63 HB3 ARG 6 3HB ARG 6 11.561 -0.627 -6.357
64 HG2 ARG 6 2HG ARG 6 11.235 0.202 -3.962
65 HG3 ARG 6 3HG ARG 6 9.515 0.253 -4.354
66 HD2 ARG 6 2HD ARG 6 11.355 -2.117 -4.268
67 HD3 ARG 6 3HD ARG 6 9.854 -1.855 -3.380
68 HE ARG 6 HE ARG 6 9.057 -1.859 -5.967
69 HH11 ARG 6 1HH1 ARG 6 10.943 -4.055 -4.034
70 HH12 ARG 6 2HH1 ARG 6 10.446 -5.463 -4.913
71 HH21 ARG 6 1HH2 ARG 6 8.395 -3.704 -7.133
72 HH22 ARG 6 2HH2 ARG 6 8.997 -5.262 -6.677
73 H PHE 7 H PHE 7 9.026 1.743 -7.362
74 HA PHE 7 HA PHE 7 10.090 2.832 -9.873
75 HB2 PHE 7 2HB PHE 7 8.469 1.450 -11.142
76 HB3 PHE 7 3HB PHE 7 9.666 0.477 -10.294
77 HD1 PHE 7 HD2 PHE 7 8.674 0.285 -7.608
78 HD2 PHE 7 HD1 PHE 7 6.516 0.252 -11.277
79 HE1 PHE 7 HE2 PHE 7 6.869 -0.994 -6.531
80 HE2 PHE 7 HE1 PHE 7 4.707 -1.026 -10.205
81 HZ PHE 7 HZ PHE 7 4.883 -1.652 -7.829
82 H VAL 8 H VAL 8 6.800 1.887 -8.976
83 HA VAL 8 HA VAL 8 6.048 4.728 -8.866
84 HB VAL 8 HB VAL 8 4.733 4.608 -10.651
85 HG11 VAL 8 1HG1 VAL 8 6.041 1.928 -10.815
86 HG12 VAL 8 2HG1 VAL 8 4.801 2.371 -11.989
87 HG13 VAL 8 3HG1 VAL 8 6.261 3.349 -11.836
88 HG21 VAL 8 3HG2 VAL 8 2.999 2.708 -10.818
89 HG22 VAL 8 1HG2 VAL 8 3.571 2.249 -9.214
90 HG23 VAL 8 2HG2 VAL 8 2.870 3.846 -9.477
91 H VAL 9 H VAL 9 6.285 2.070 -7.129
92 HA VAL 9 HA VAL 9 3.914 1.301 -6.051
93 HB VAL 9 HB VAL 9 5.499 1.678 -3.785
94 HG11 VAL 9 1HG1 VAL 9 6.138 -0.778 -4.347
95 HG12 VAL 9 2HG1 VAL 9 4.450 -0.368 -4.032
96 HG13 VAL 9 3HG1 VAL 9 5.014 -0.574 -5.691
97 HG21 VAL 9 3HG2 VAL 9 7.391 0.632 -5.812
98 HG22 VAL 9 1HG2 VAL 9 7.175 2.380 -5.732
99 HG23 VAL 9 2HG2 VAL 9 7.705 1.490 -4.305
100 H GLY 10 H GLY 10 4.901 4.460 -6.278
101 HA2 GLY 10 2HA GLY 10 4.359 5.837 -4.035
102 HA3 GLY 10 3HA GLY 10 3.767 6.368 -5.602
103 H ARG 11 H ARG 11 2.051 3.914 -5.778
104 HA ARG 11 HA ARG 11 0.007 4.671 -3.799
105 HB2 ARG 11 2HB ARG 11 -1.349 3.754 -6.079
106 HB3 ARG 11 3HB ARG 11 -1.299 5.397 -5.456
107 HG2 ARG 11 2HG ARG 11 0.351 6.051 -6.943
108 HG3 ARG 11 3HG ARG 11 0.880 4.393 -7.237
109 HD2 ARG 11 2HD ARG 11 -0.294 5.159 -9.177
110 HD3 ARG 11 3HD ARG 11 -1.301 3.966 -8.358
111 HE ARG 11 HE ARG 11 -2.141 6.360 -7.360
112 HH11 ARG 11 1HH1 ARG 11 -1.801 5.015 -10.552
113 HH12 ARG 11 2HH1 ARG 11 -3.109 5.933 -11.221
114 HH21 ARG 11 1HH2 ARG 11 -3.866 7.575 -8.228
115 HH22 ARG 11 2HH2 ARG 11 -4.283 7.389 -9.898
Start of MODEL 14
1 H1 ARG 1 H ARG 1 1.246 -0.587 0.617
2 HA ARG 1 HA ARG 1 2.880 -0.089 -1.071
3 HB2 ARG 1 2HB ARG 1 0.272 -1.129 -2.151
4 HB3 ARG 1 3HB ARG 1 1.682 -0.950 -3.187
5 HG2 ARG 1 2HG ARG 1 2.680 -2.309 -1.016
6 HG3 ARG 1 3HG ARG 1 1.062 -2.987 -1.211
7 HD2 ARG 1 2HD ARG 1 1.510 -3.768 -3.350
8 HD3 ARG 1 3HD ARG 1 2.854 -2.650 -3.583
9 HE ARG 1 HE ARG 1 3.644 -4.282 -1.534
10 HH11 ARG 1 1HH1 ARG 1 2.592 -4.752 -4.819
11 HH12 ARG 1 2HH1 ARG 1 3.535 -6.187 -5.053
12 HH21 ARG 1 1HH2 ARG 1 4.891 -6.169 -1.830
13 HH22 ARG 1 2HH2 ARG 1 4.842 -6.992 -3.353
14 H LEU 2 H LEU 2 1.676 2.408 -0.371
15 HA LEU 2 HA LEU 2 1.219 3.649 -2.996
16 HB2 LEU 2 2HB LEU 2 0.569 5.636 -1.436
17 HB3 LEU 2 3HB LEU 2 -0.559 4.311 -1.718
18 HG LEU 2 HG LEU 2 -0.018 3.348 0.438
19 HD11 LEU 2 1HD1 LEU 2 1.484 4.444 1.993
20 HD12 LEU 2 2HD1 LEU 2 1.857 5.682 0.794
21 HD13 LEU 2 3HD1 LEU 2 2.343 4.010 0.515
22 HD21 LEU 2 3HD2 LEU 2 -1.719 5.204 0.194
23 HD22 LEU 2 1HD2 LEU 2 -0.492 6.290 0.846
24 HD23 LEU 2 2HD2 LEU 2 -1.082 4.943 1.819
25 H TYR 3 H TYR 3 3.780 3.030 -2.720
26 HA TYR 3 HA TYR 3 5.048 5.634 -2.282
27 HB2 TYR 3 2HB TYR 3 7.018 4.446 -1.251
28 HB3 TYR 3 3HB TYR 3 5.567 4.483 -0.254
29 HD1 TYR 3 HD2 TYR 3 7.575 2.329 -2.505
30 HD2 TYR 3 HD1 TYR 3 4.554 2.486 0.486
31 HE1 TYR 3 HE2 TYR 3 7.665 -0.119 -2.295
32 HE2 TYR 3 HE1 TYR 3 4.636 0.037 0.706
33 HH TYR 3 HH TYR 3 5.618 -1.958 -1.307
34 H ARG 4 H ARG 4 5.968 6.206 -4.126
35 HA ARG 4 HA ARG 4 6.523 4.320 -6.205
36 HB2 ARG 4 2HB ARG 4 7.198 6.220 -7.517
37 HB3 ARG 4 3HB ARG 4 5.751 6.653 -6.617
38 HG2 ARG 4 2HG ARG 4 7.903 7.383 -4.985
39 HG3 ARG 4 3HG ARG 4 8.335 7.893 -6.618
40 HD2 ARG 4 2HD ARG 4 5.989 8.894 -6.735
41 HD3 ARG 4 3HD ARG 4 5.931 8.662 -4.989
42 HE ARG 4 HE ARG 4 8.237 10.015 -5.334
43 HH11 ARG 4 1HH1 ARG 4 4.982 10.559 -6.441
44 HH12 ARG 4 2HH1 ARG 4 5.138 12.284 -6.462
45 HH21 ARG 4 1HH2 ARG 4 8.455 12.285 -5.357
46 HH22 ARG 4 2HH2 ARG 4 7.114 13.265 -5.846
47 H ARG 5 H ARG 5 7.979 3.653 -3.915
48 HA ARG 5 HA ARG 5 10.661 4.603 -4.046
49 HB2 ARG 5 2HB ARG 5 11.088 3.211 -2.267
50 HB3 ARG 5 3HB ARG 5 9.345 3.386 -2.115
51 HG2 ARG 5 2HG ARG 5 9.041 1.256 -3.295
52 HG3 ARG 5 3HG ARG 5 10.794 1.078 -3.394
53 HD2 ARG 5 2HD ARG 5 9.392 1.457 -0.767
54 HD3 ARG 5 3HD ARG 5 9.561 -0.138 -1.501
55 HE ARG 5 HE ARG 5 12.041 1.293 -1.300
56 HH11 ARG 5 1HH1 ARG 5 9.797 -0.774 0.376
57 HH12 ARG 5 2HH1 ARG 5 10.988 -1.401 1.468
58 HH21 ARG 5 1HH2 ARG 5 13.618 0.476 0.131
59 HH22 ARG 5 2HH2 ARG 5 13.160 -0.688 1.328
60 H ARG 6 H ARG 6 9.071 1.619 -5.145
61 HA ARG 6 HA ARG 6 11.478 0.656 -6.406
62 HB2 ARG 6 2HB ARG 6 8.648 -0.383 -6.634
63 HB3 ARG 6 3HB ARG 6 10.110 -1.227 -7.126
64 HG2 ARG 6 2HG ARG 6 9.618 -0.369 -4.291
65 HG3 ARG 6 3HG ARG 6 9.080 -1.925 -4.927
66 HD2 ARG 6 2HD ARG 6 11.129 -2.464 -4.011
67 HD3 ARG 6 3HD ARG 6 11.548 -2.166 -5.698
68 HE ARG 6 HE ARG 6 11.955 0.241 -4.610
69 HH11 ARG 6 1HH1 ARG 6 12.931 -2.941 -3.589
70 HH12 ARG 6 2HH1 ARG 6 14.378 -2.390 -2.812
71 HH21 ARG 6 1HH2 ARG 6 13.857 0.979 -3.592
72 HH22 ARG 6 2HH2 ARG 6 14.904 -0.160 -2.814
73 H PHE 7 H PHE 7 8.230 1.447 -7.661
74 HA PHE 7 HA PHE 7 9.507 2.547 -10.063
75 HB2 PHE 7 2HB PHE 7 7.740 1.477 -11.458
76 HB3 PHE 7 3HB PHE 7 8.821 0.317 -10.693
77 HD1 PHE 7 HD1 PHE 7 7.798 0.005 -8.034
78 HD2 PHE 7 HD2 PHE 7 5.669 0.514 -11.684
79 HE1 PHE 7 HE1 PHE 7 5.861 -1.160 -7.062
80 HE2 PHE 7 HE2 PHE 7 3.728 -0.649 -10.718
81 HZ PHE 7 HZ PHE 7 3.822 -1.487 -8.404
82 H VAL 8 H VAL 8 6.102 1.967 -9.278
83 HA VAL 8 HA VAL 8 5.705 4.871 -9.028
84 HB VAL 8 HB VAL 8 4.399 5.003 -10.820
85 HG11 VAL 8 1HG1 VAL 8 5.366 2.189 -11.133
86 HG12 VAL 8 2HG1 VAL 8 4.245 2.886 -12.305
87 HG13 VAL 8 3HG1 VAL 8 5.820 3.634 -12.035
88 HG21 VAL 8 3HG2 VAL 8 2.466 3.323 -11.108
89 HG22 VAL 8 1HG2 VAL 8 2.960 2.712 -9.529
90 HG23 VAL 8 2HG2 VAL 8 2.446 4.390 -9.705
91 H VAL 9 H VAL 9 5.579 2.112 -7.433
92 HA VAL 9 HA VAL 9 3.110 1.612 -6.412
93 HB VAL 9 HB VAL 9 4.707 1.630 -4.125
94 HG11 VAL 9 1HG1 VAL 9 5.012 -0.854 -4.843
95 HG12 VAL 9 2HG1 VAL 9 3.396 -0.236 -4.490
96 HG13 VAL 9 3HG1 VAL 9 3.929 -0.413 -6.163
97 HG21 VAL 9 3HG2 VAL 9 6.456 0.465 -6.221
98 HG22 VAL 9 1HG2 VAL 9 6.489 2.216 -6.006
99 HG23 VAL 9 2HG2 VAL 9 6.872 1.153 -4.651
100 H GLY 10 H GLY 10 4.491 4.614 -6.476
101 HA2 GLY 10 2HA GLY 10 4.141 5.925 -4.152
102 HA3 GLY 10 3HA GLY 10 3.626 6.614 -5.684
103 H ARG 11 H ARG 11 1.605 4.405 -5.969
104 HA ARG 11 HA ARG 11 -0.326 5.327 -3.947
105 HB2 ARG 11 2HB ARG 11 -1.793 4.711 -6.255
106 HB3 ARG 11 3HB ARG 11 -1.517 6.303 -5.562
107 HG2 ARG 11 2HG ARG 11 0.190 6.797 -7.038
108 HG3 ARG 11 3HG ARG 11 0.509 5.098 -7.394
109 HD2 ARG 11 2HD ARG 11 -0.903 5.128 -9.111
110 HD3 ARG 11 3HD ARG 11 -2.192 5.787 -8.104
111 HE ARG 11 HE ARG 11 -0.519 7.229 -9.932
112 HH11 ARG 11 1HH1 ARG 11 -2.446 7.469 -7.043
113 HH12 ARG 11 2HH1 ARG 11 -2.746 9.165 -7.228
114 HH21 ARG 11 1HH2 ARG 11 -0.908 9.462 -10.187
115 HH22 ARG 11 2HH2 ARG 11 -1.872 10.298 -9.017
Start of MODEL 15
1 H1 ARG 1 H ARG 1 1.823 -0.674 0.541
2 HA ARG 1 HA ARG 1 3.286 -0.187 -1.181
3 HB2 ARG 1 2HB ARG 1 0.825 -1.153 -2.648
4 HB3 ARG 1 3HB ARG 1 2.449 -1.107 -3.321
5 HG2 ARG 1 2HG ARG 1 2.173 -2.557 -0.776
6 HG3 ARG 1 3HG ARG 1 1.354 -3.275 -2.165
7 HD2 ARG 1 2HD ARG 1 3.639 -2.818 -3.360
8 HD3 ARG 1 3HD ARG 1 4.264 -2.791 -1.712
9 HE ARG 1 HE ARG 1 3.945 -5.061 -1.581
10 HH11 ARG 1 1HH1 ARG 1 2.305 -3.813 -4.387
11 HH12 ARG 1 2HH1 ARG 1 1.948 -5.379 -5.036
12 HH21 ARG 1 1HH2 ARG 1 3.481 -7.129 -2.426
13 HH22 ARG 1 2HH2 ARG 1 2.617 -7.265 -3.920
14 H LEU 2 H LEU 2 1.967 2.173 -0.354
15 HA LEU 2 HA LEU 2 1.471 3.568 -2.895
16 HB2 LEU 2 2HB LEU 2 0.657 5.392 -1.223
17 HB3 LEU 2 3HB LEU 2 -0.375 4.020 -1.620
18 HG LEU 2 HG LEU 2 0.192 2.948 0.481
19 HD11 LEU 2 1HD1 LEU 2 2.459 3.658 0.776
20 HD12 LEU 2 2HD1 LEU 2 1.522 4.199 2.168
21 HD13 LEU 2 3HD1 LEU 2 1.966 5.346 0.905
22 HD21 LEU 2 3HD2 LEU 2 -0.419 5.694 1.398
23 HD22 LEU 2 1HD2 LEU 2 -1.250 4.173 1.727
24 HD23 LEU 2 2HD2 LEU 2 -1.497 4.998 0.187
25 H TYR 3 H TYR 3 4.067 3.068 -2.551
26 HA TYR 3 HA TYR 3 5.155 5.716 -1.934
27 HB2 TYR 3 2HB TYR 3 7.139 4.630 -0.858
28 HB3 TYR 3 3HB TYR 3 5.644 4.460 0.056
29 HD1 TYR 3 HD2 TYR 3 7.980 2.675 -2.197
30 HD2 TYR 3 HD1 TYR 3 4.768 2.325 0.572
31 HE1 TYR 3 HE2 TYR 3 8.293 0.236 -2.151
32 HE2 TYR 3 HE1 TYR 3 5.073 -0.115 0.626
33 HH TYR 3 HH TYR 3 6.522 -1.802 0.089
34 H ARG 4 H ARG 4 6.069 6.427 -3.733
35 HA ARG 4 HA ARG 4 6.852 4.666 -5.852
36 HB2 ARG 4 2HB ARG 4 7.424 6.673 -7.069
37 HB3 ARG 4 3HB ARG 4 5.891 6.920 -6.244
38 HG2 ARG 4 2HG ARG 4 7.733 7.836 -4.419
39 HG3 ARG 4 3HG ARG 4 8.408 8.341 -5.970
40 HD2 ARG 4 2HD ARG 4 5.508 8.781 -5.475
41 HD3 ARG 4 3HD ARG 4 6.664 9.834 -4.661
42 HE ARG 4 HE ARG 4 7.325 9.694 -7.383
43 HH11 ARG 4 1HH1 ARG 4 4.845 10.962 -5.295
44 HH12 ARG 4 2HH1 ARG 4 4.437 12.269 -6.357
45 HH21 ARG 4 1HH2 ARG 4 6.797 11.410 -8.790
46 HH22 ARG 4 2HH2 ARG 4 5.547 12.522 -8.345
47 H ARG 5 H ARG 5 8.289 3.989 -3.590
48 HA ARG 5 HA ARG 5 10.881 5.194 -3.579
49 HB2 ARG 5 2HB ARG 5 11.369 3.789 -1.827
50 HB3 ARG 5 3HB ARG 5 9.614 3.811 -1.727
51 HG2 ARG 5 2HG ARG 5 9.528 1.700 -2.973
52 HG3 ARG 5 3HG ARG 5 11.292 1.675 -3.026
53 HD2 ARG 5 2HD ARG 5 9.797 1.853 -0.430
54 HD3 ARG 5 3HD ARG 5 10.115 0.302 -1.205
55 HE ARG 5 HE ARG 5 12.549 1.543 -1.105
56 HH11 ARG 5 1HH1 ARG 5 10.120 0.664 1.229
57 HH12 ARG 5 2HH1 ARG 5 11.254 0.440 2.519
58 HH21 ARG 5 1HH2 ARG 5 14.052 1.251 0.585
59 HH22 ARG 5 2HH2 ARG 5 13.491 0.775 2.152
60 H ARG 6 H ARG 6 9.578 2.131 -4.824
61 HA ARG 6 HA ARG 6 12.100 1.420 -6.037
62 HB2 ARG 6 2HB ARG 6 9.564 0.026 -6.753
63 HB3 ARG 6 3HB ARG 6 11.167 -0.638 -6.466
64 HG2 ARG 6 2HG ARG 6 10.792 -0.008 -4.018
65 HG3 ARG 6 3HG ARG 6 9.096 0.184 -4.465
66 HD2 ARG 6 2HD ARG 6 10.789 -2.293 -4.530
67 HD3 ARG 6 3HD ARG 6 9.269 -2.019 -3.679
68 HE ARG 6 HE ARG 6 8.571 -1.744 -6.273
69 HH11 ARG 6 1HH1 ARG 6 10.293 -4.209 -4.518
70 HH12 ARG 6 2HH1 ARG 6 9.764 -5.496 -5.550
71 HH21 ARG 6 1HH2 ARG 6 7.869 -3.431 -7.639
72 HH22 ARG 6 2HH2 ARG 6 8.386 -5.052 -7.325
73 H PHE 7 H PHE 7 8.820 1.966 -7.340
74 HA PHE 7 HA PHE 7 10.051 3.207 -9.700
75 HB2 PHE 7 2HB PHE 7 8.406 2.049 -11.148
76 HB3 PHE 7 3HB PHE 7 9.506 0.930 -10.350
77 HD1 PHE 7 HD1 PHE 7 8.394 0.562 -7.731
78 HD2 PHE 7 HD2 PHE 7 6.392 0.992 -11.462
79 HE1 PHE 7 HE1 PHE 7 6.474 -0.693 -6.841
80 HE2 PHE 7 HE2 PHE 7 4.468 -0.261 -10.578
81 HZ PHE 7 HZ PHE 7 4.507 -1.105 -8.265
82 H VAL 8 H VAL 8 6.677 2.394 -9.013
83 HA VAL 8 HA VAL 8 6.090 5.255 -8.669
84 HB VAL 8 HB VAL 8 4.846 5.378 -10.504
85 HG11 VAL 8 1HG1 VAL 8 5.999 2.647 -10.866
86 HG12 VAL 8 2HG1 VAL 8 4.836 3.270 -12.039
87 HG13 VAL 8 3HG1 VAL 8 6.344 4.137 -11.744
88 HG21 VAL 8 3HG2 VAL 8 3.011 3.613 -10.906
89 HG22 VAL 8 1HG2 VAL 8 3.487 2.978 -9.331
90 HG23 VAL 8 2HG2 VAL 8 2.894 4.633 -9.472
91 H VAL 9 H VAL 9 6.097 2.444 -7.175
92 HA VAL 9 HA VAL 9 3.642 1.732 -6.259
93 HB VAL 9 HB VAL 9 5.151 1.804 -3.913
94 HG11 VAL 9 1HG1 VAL 9 5.666 -0.627 -4.674
95 HG12 VAL 9 2HG1 VAL 9 3.994 -0.142 -4.384
96 HG13 VAL 9 3HG1 VAL 9 4.614 -0.234 -6.033
97 HG21 VAL 9 3HG2 VAL 9 7.061 0.826 -5.958
98 HG22 VAL 9 1HG2 VAL 9 6.945 2.571 -5.725
99 HG23 VAL 9 2HG2 VAL 9 7.362 1.525 -4.368
100 H GLY 10 H GLY 10 4.824 4.830 -6.159
101 HA2 GLY 10 2HA GLY 10 4.271 6.031 -3.819
102 HA3 GLY 10 3HA GLY 10 3.780 6.737 -5.351
103 H ARG 11 H ARG 11 1.928 4.423 -5.817
104 HA ARG 11 HA ARG 11 -0.152 5.135 -3.858
105 HB2 ARG 11 2HB ARG 11 -1.675 4.664 -5.997
106 HB3 ARG 11 3HB ARG 11 -1.035 6.261 -5.632
107 HG2 ARG 11 2HG ARG 11 0.962 5.507 -7.114
108 HG3 ARG 11 3HG ARG 11 -0.186 4.315 -7.726
109 HD2 ARG 11 2HD ARG 11 -0.682 7.288 -7.650
110 HD3 ARG 11 3HD ARG 11 -0.097 6.410 -9.063
111 HE ARG 11 HE ARG 11 -2.545 5.362 -7.984
112 HH11 ARG 11 1HH1 ARG 11 -1.136 7.712 -10.132
113 HH12 ARG 11 2HH1 ARG 11 -2.557 7.860 -11.113
114 HH21 ARG 11 1HH2 ARG 11 -4.421 5.548 -9.268
115 HH22 ARG 11 2HH2 ARG 11 -4.425 6.629 -10.620
Start of MODEL 16
1 H1 ARG 1 H ARG 1 1.756 -0.722 0.812
2 HA ARG 1 HA ARG 1 3.551 -0.034 -0.863
3 HB2 ARG 1 2HB ARG 1 1.403 -1.777 -1.148
4 HB3 ARG 1 3HB ARG 1 1.350 -0.797 -2.607
5 HG2 ARG 1 2HG ARG 1 4.006 -1.400 -2.427
6 HG3 ARG 1 3HG ARG 1 3.244 -2.864 -1.800
7 HD2 ARG 1 2HD ARG 1 2.216 -1.621 -4.313
8 HD3 ARG 1 3HD ARG 1 3.686 -2.594 -4.362
9 HE ARG 1 HE ARG 1 1.570 -3.939 -3.010
10 HH11 ARG 1 1HH1 ARG 1 2.798 -3.120 -6.163
11 HH12 ARG 1 2HH1 ARG 1 2.061 -4.478 -6.946
12 HH21 ARG 1 1HH2 ARG 1 0.593 -5.730 -4.030
13 HH22 ARG 1 2HH2 ARG 1 0.806 -5.962 -5.732
14 H LEU 2 H LEU 2 2.193 2.407 -0.099
15 HA LEU 2 HA LEU 2 1.562 3.570 -2.726
16 HB2 LEU 2 2HB LEU 2 0.775 5.514 -1.179
17 HB3 LEU 2 3HB LEU 2 -0.240 4.093 -1.415
18 HG LEU 2 HG LEU 2 0.438 3.215 0.742
19 HD11 LEU 2 1HD1 LEU 2 1.809 4.627 2.259
20 HD12 LEU 2 2HD1 LEU 2 2.172 5.674 0.887
21 HD13 LEU 2 3HD1 LEU 2 2.700 3.991 0.875
22 HD21 LEU 2 3HD2 LEU 2 -0.215 6.046 1.374
23 HD22 LEU 2 1HD2 LEU 2 -0.924 4.555 1.993
24 HD23 LEU 2 2HD2 LEU 2 -1.344 5.127 0.378
25 H TYR 3 H TYR 3 4.180 3.155 -2.458
26 HA TYR 3 HA TYR 3 5.230 5.867 -2.111
27 HB2 TYR 3 2HB TYR 3 7.284 4.914 -1.039
28 HB3 TYR 3 3HB TYR 3 5.834 4.792 -0.048
29 HD1 TYR 3 HD2 TYR 3 8.111 2.871 -2.249
30 HD2 TYR 3 HD1 TYR 3 5.033 2.691 0.683
31 HE1 TYR 3 HE2 TYR 3 8.483 0.451 -2.015
32 HE2 TYR 3 HE1 TYR 3 5.397 0.271 0.925
33 HH TYR 3 HH TYR 3 7.313 -1.527 -1.263
34 H ARG 4 H ARG 4 6.051 6.444 -4.001
35 HA ARG 4 HA ARG 4 6.783 4.529 -6.000
36 HB2 ARG 4 2HB ARG 4 7.254 6.438 -7.403
37 HB3 ARG 4 3HB ARG 4 5.753 6.723 -6.532
38 HG2 ARG 4 2HG ARG 4 7.721 7.804 -4.898
39 HG3 ARG 4 3HG ARG 4 8.201 8.248 -6.537
40 HD2 ARG 4 2HD ARG 4 6.017 9.215 -6.945
41 HD3 ARG 4 3HD ARG 4 5.463 8.695 -5.354
42 HE ARG 4 HE ARG 4 7.731 10.297 -5.019
43 HH11 ARG 4 1HH1 ARG 4 4.427 10.568 -6.081
44 HH12 ARG 4 2HH1 ARG 4 4.270 12.224 -5.597
45 HH21 ARG 4 1HH2 ARG 4 7.537 12.477 -4.377
46 HH22 ARG 4 2HH2 ARG 4 6.040 13.309 -4.628
47 H ARG 5 H ARG 5 8.330 4.071 -3.757
48 HA ARG 5 HA ARG 5 10.892 5.323 -3.960
49 HB2 ARG 5 2HB ARG 5 11.488 4.079 -2.122
50 HB3 ARG 5 3HB ARG 5 9.738 4.075 -1.947
51 HG2 ARG 5 2HG ARG 5 9.647 1.867 -3.009
52 HG3 ARG 5 3HG ARG 5 11.407 1.871 -3.139
53 HD2 ARG 5 2HD ARG 5 10.018 2.233 -0.503
54 HD3 ARG 5 3HD ARG 5 10.346 0.631 -1.161
55 HE ARG 5 HE ARG 5 12.733 2.037 -1.242
56 HH11 ARG 5 1HH1 ARG 5 10.482 0.907 1.161
57 HH12 ARG 5 2HH1 ARG 5 11.688 0.724 2.392
58 HH21 ARG 5 1HH2 ARG 5 14.329 1.801 0.370
59 HH22 ARG 5 2HH2 ARG 5 13.875 1.234 1.941
60 H ARG 6 H ARG 6 9.609 2.142 -4.889
61 HA ARG 6 HA ARG 6 12.092 1.383 -6.150
62 HB2 ARG 6 2HB ARG 6 9.562 -0.116 -6.638
63 HB3 ARG 6 3HB ARG 6 11.190 -0.722 -6.367
64 HG2 ARG 6 2HG ARG 6 10.904 0.101 -3.965
65 HG3 ARG 6 3HG ARG 6 9.187 0.226 -4.352
66 HD2 ARG 6 2HD ARG 6 10.927 -2.220 -4.291
67 HD3 ARG 6 3HD ARG 6 9.443 -1.902 -3.394
68 HE ARG 6 HE ARG 6 8.618 -1.854 -5.964
69 HH11 ARG 6 1HH1 ARG 6 10.477 -4.135 -4.104
70 HH12 ARG 6 2HH1 ARG 6 9.931 -5.511 -5.003
71 HH21 ARG 6 1HH2 ARG 6 7.891 -3.658 -7.155
72 HH22 ARG 6 2HH2 ARG 6 8.461 -5.239 -6.738
73 H PHE 7 H PHE 7 8.749 1.755 -7.347
74 HA PHE 7 HA PHE 7 9.848 2.819 -9.853
75 HB2 PHE 7 2HB PHE 7 8.171 1.513 -11.128
76 HB3 PHE 7 3HB PHE 7 9.330 0.486 -10.290
77 HD1 PHE 7 HD1 PHE 7 8.339 0.314 -7.603
78 HD2 PHE 7 HD2 PHE 7 6.170 0.394 -11.265
79 HE1 PHE 7 HE1 PHE 7 6.488 -0.900 -6.529
80 HE2 PHE 7 HE2 PHE 7 4.316 -0.820 -10.196
81 HZ PHE 7 HZ PHE 7 4.472 -1.467 -7.825
82 H VAL 8 H VAL 8 6.526 2.000 -8.953
83 HA VAL 8 HA VAL 8 5.889 4.868 -8.820
84 HB VAL 8 HB VAL 8 4.565 4.813 -10.602
85 HG11 VAL 8 1HG1 VAL 8 5.765 2.084 -10.790
86 HG12 VAL 8 2HG1 VAL 8 4.539 2.585 -11.956
87 HG13 VAL 8 3HG1 VAL 8 6.037 3.503 -11.801
88 HG21 VAL 8 3HG2 VAL 8 2.756 2.985 -10.776
89 HG22 VAL 8 1HG2 VAL 8 3.313 2.492 -9.177
90 HG23 VAL 8 2HG2 VAL 8 2.676 4.118 -9.427
91 H VAL 9 H VAL 9 6.024 2.190 -7.103
92 HA VAL 9 HA VAL 9 3.628 1.509 -6.023
93 HB VAL 9 HB VAL 9 5.233 1.805 -3.760
94 HG11 VAL 9 1HG1 VAL 9 5.771 -0.670 -4.341
95 HG12 VAL 9 2HG1 VAL 9 4.102 -0.196 -4.018
96 HG13 VAL 9 3HG1 VAL 9 4.654 -0.412 -5.680
97 HG21 VAL 9 3HG2 VAL 9 7.076 0.699 -5.801
98 HG22 VAL 9 1HG2 VAL 9 6.930 2.454 -5.706
99 HG23 VAL 9 2HG2 VAL 9 7.429 1.533 -4.288
100 H GLY 10 H GLY 10 4.740 4.627 -6.230
101 HA2 GLY 10 2HA GLY 10 4.260 6.008 -3.975
102 HA3 GLY 10 3HA GLY 10 3.686 6.574 -5.537
103 H ARG 11 H ARG 11 1.872 4.193 -5.727
104 HA ARG 11 HA ARG 11 -0.138 5.023 -3.740
105 HB2 ARG 11 2HB ARG 11 -1.741 4.346 -5.762
106 HB3 ARG 11 3HB ARG 11 -1.124 5.980 -5.559
107 HG2 ARG 11 2HG ARG 11 0.825 5.145 -7.063
108 HG3 ARG 11 3HG ARG 11 -0.322 3.885 -7.524
109 HD2 ARG 11 2HD ARG 11 -1.265 6.701 -7.543
110 HD3 ARG 11 3HD ARG 11 -0.160 6.195 -8.820
111 HE ARG 11 HE ARG 11 -2.377 4.408 -8.446
112 HH11 ARG 11 1HH1 ARG 11 -1.282 7.316 -10.017
113 HH12 ARG 11 2HH1 ARG 11 -2.440 7.213 -11.302
114 HH21 ARG 11 1HH2 ARG 11 -3.906 4.262 -10.133
115 HH22 ARG 11 2HH2 ARG 11 -3.932 5.476 -11.366
Start of MODEL 17
1 H1 ARG 1 H ARG 1 2.349 -0.227 0.484
2 HA ARG 1 HA ARG 1 3.793 -0.419 -1.344
3 HB2 ARG 1 2HB ARG 1 2.840 -1.297 -3.533
4 HB3 ARG 1 3HB ARG 1 2.950 -2.449 -2.209
5 HG2 ARG 1 2HG ARG 1 0.399 -1.122 -2.180
6 HG3 ARG 1 3HG ARG 1 0.711 -1.850 -3.757
7 HD2 ARG 1 2HD ARG 1 1.269 -3.976 -2.607
8 HD3 ARG 1 3HD ARG 1 0.810 -3.229 -1.078
9 HE ARG 1 HE ARG 1 -1.285 -3.026 -2.982
10 HH11 ARG 1 1HH1 ARG 1 0.285 -5.262 -0.825
11 HH12 ARG 1 2HH1 ARG 1 -1.120 -6.255 -0.621
12 HH21 ARG 1 1HH2 ARG 1 -3.142 -4.325 -2.722
13 HH22 ARG 1 2HH2 ARG 1 -3.069 -5.722 -1.702
14 H LEU 2 H LEU 2 2.279 1.800 -0.447
15 HA LEU 2 HA LEU 2 1.608 3.183 -2.954
16 HB2 LEU 2 2HB LEU 2 0.664 4.899 -1.235
17 HB3 LEU 2 3HB LEU 2 -0.246 3.445 -1.638
18 HG LEU 2 HG LEU 2 0.457 2.396 0.433
19 HD11 LEU 2 1HD1 LEU 2 1.700 3.737 2.117
20 HD12 LEU 2 2HD1 LEU 2 2.013 4.939 0.866
21 HD13 LEU 2 3HD1 LEU 2 2.656 3.305 0.700
22 HD21 LEU 2 3HD2 LEU 2 -1.544 3.872 0.385
23 HD22 LEU 2 1HD2 LEU 2 -0.535 5.188 0.984
24 HD23 LEU 2 2HD2 LEU 2 -0.786 3.750 1.973
25 H TYR 3 H TYR 3 4.245 2.917 -2.666
26 HA TYR 3 HA TYR 3 5.100 5.644 -2.023
27 HB2 TYR 3 2HB TYR 3 7.195 4.726 -1.002
28 HB3 TYR 3 3HB TYR 3 5.740 4.406 -0.064
29 HD1 TYR 3 HD1 TYR 3 8.184 2.878 -2.391
30 HD2 TYR 3 HD2 TYR 3 5.071 2.191 0.427
31 HE1 TYR 3 HE1 TYR 3 8.719 0.478 -2.394
32 HE2 TYR 3 HE2 TYR 3 5.598 -0.211 0.433
33 HH TYR 3 HH TYR 3 6.849 -1.824 -1.523
34 H ARG 4 H ARG 4 5.910 6.464 -3.825
35 HA ARG 4 HA ARG 4 6.808 4.816 -5.988
36 HB2 ARG 4 2HB ARG 4 7.169 6.885 -7.181
37 HB3 ARG 4 3HB ARG 4 5.637 6.978 -6.322
38 HG2 ARG 4 2HG ARG 4 7.696 7.997 -4.637
39 HG3 ARG 4 3HG ARG 4 7.810 8.768 -6.220
40 HD2 ARG 4 2HD ARG 4 5.483 9.421 -6.107
41 HD3 ARG 4 3HD ARG 4 5.287 8.558 -4.582
42 HE ARG 4 HE ARG 4 6.207 10.348 -3.501
43 HH11 ARG 4 1HH1 ARG 4 6.979 10.559 -6.889
44 HH12 ARG 4 2HH1 ARG 4 7.685 12.136 -6.763
45 HH21 ARG 4 1HH2 ARG 4 7.135 12.424 -3.322
46 HH22 ARG 4 2HH2 ARG 4 7.775 13.195 -4.734
47 H ARG 5 H ARG 5 8.344 4.237 -3.765
48 HA ARG 5 HA ARG 5 10.816 5.673 -3.780
49 HB2 ARG 5 2HB ARG 5 11.464 4.291 -2.062
50 HB3 ARG 5 3HB ARG 5 9.716 4.151 -1.931
51 HG2 ARG 5 2HG ARG 5 9.798 2.061 -3.212
52 HG3 ARG 5 3HG ARG 5 11.556 2.198 -3.297
53 HD2 ARG 5 2HD ARG 5 10.099 2.194 -0.673
54 HD3 ARG 5 3HD ARG 5 10.551 0.693 -1.481
55 HE ARG 5 HE ARG 5 12.866 2.108 -1.411
56 HH11 ARG 5 1HH1 ARG 5 10.536 1.158 0.996
57 HH12 ARG 5 2HH1 ARG 5 11.700 1.070 2.276
58 HH21 ARG 5 1HH2 ARG 5 14.408 1.995 0.266
59 HH22 ARG 5 2HH2 ARG 5 13.902 1.547 1.860
60 H ARG 6 H ARG 6 9.773 2.524 -5.055
61 HA ARG 6 HA ARG 6 12.324 2.066 -6.326
62 HB2 ARG 6 2HB ARG 6 9.912 0.458 -7.021
63 HB3 ARG 6 3HB ARG 6 11.574 -0.062 -6.775
64 HG2 ARG 6 2HG ARG 6 11.192 0.493 -4.310
65 HG3 ARG 6 3HG ARG 6 9.477 0.536 -4.722
66 HD2 ARG 6 2HD ARG 6 11.387 -1.775 -4.862
67 HD3 ARG 6 3HD ARG 6 9.865 -1.655 -3.978
68 HE ARG 6 HE ARG 6 9.101 -1.402 -6.559
69 HH11 ARG 6 1HH1 ARG 6 11.051 -3.732 -4.861
70 HH12 ARG 6 2HH1 ARG 6 10.617 -5.048 -5.902
71 HH21 ARG 6 1HH2 ARG 6 8.522 -3.125 -7.936
72 HH22 ARG 6 2HH2 ARG 6 9.179 -4.701 -7.651
73 H PHE 7 H PHE 7 8.984 2.331 -7.559
74 HA PHE 7 HA PHE 7 10.049 3.717 -9.919
75 HB2 PHE 7 2HB PHE 7 8.488 2.437 -11.357
76 HB3 PHE 7 3HB PHE 7 9.701 1.411 -10.600
77 HD1 PHE 7 HD2 PHE 7 8.679 0.900 -7.968
78 HD2 PHE 7 HD1 PHE 7 6.573 1.206 -11.654
79 HE1 PHE 7 HE2 PHE 7 6.898 -0.539 -7.066
80 HE2 PHE 7 HE1 PHE 7 4.789 -0.232 -10.758
81 HZ PHE 7 HZ PHE 7 4.950 -1.107 -8.461
82 H VAL 8 H VAL 8 6.777 2.588 -9.185
83 HA VAL 8 HA VAL 8 5.940 5.378 -8.780
84 HB VAL 8 HB VAL 8 4.653 5.416 -10.590
85 HG11 VAL 8 1HG1 VAL 8 6.042 2.807 -11.022
86 HG12 VAL 8 2HG1 VAL 8 4.805 3.341 -12.161
87 HG13 VAL 8 3HG1 VAL 8 6.233 4.337 -11.878
88 HG21 VAL 8 3HG2 VAL 8 2.979 3.497 -10.990
89 HG22 VAL 8 1HG2 VAL 8 3.542 2.883 -9.435
90 HG23 VAL 8 2HG2 VAL 8 2.798 4.479 -9.536
91 H VAL 9 H VAL 9 6.231 2.555 -7.337
92 HA VAL 9 HA VAL 9 3.870 1.607 -6.389
93 HB VAL 9 HB VAL 9 5.412 1.779 -4.070
94 HG11 VAL 9 1HG1 VAL 9 6.131 -0.582 -4.883
95 HG12 VAL 9 2HG1 VAL 9 4.428 -0.257 -4.555
96 HG13 VAL 9 3HG1 VAL 9 5.022 -0.265 -6.216
97 HG21 VAL 9 3HG2 VAL 9 7.362 1.013 -6.167
98 HG22 VAL 9 1HG2 VAL 9 7.093 2.735 -5.901
99 HG23 VAL 9 2HG2 VAL 9 7.630 1.711 -4.570
100 H GLY 10 H GLY 10 4.767 4.798 -6.256
101 HA2 GLY 10 2HA GLY 10 4.153 5.906 -3.885
102 HA3 GLY 10 3HA GLY 10 3.570 6.589 -5.395
103 H ARG 11 H ARG 11 1.928 4.123 -5.868
104 HA ARG 11 HA ARG 11 -0.170 4.611 -3.859
105 HB2 ARG 11 2HB ARG 11 -1.686 4.037 -5.978
106 HB3 ARG 11 3HB ARG 11 -1.186 5.680 -5.597
107 HG2 ARG 11 2HG ARG 11 0.842 5.134 -7.129
108 HG3 ARG 11 3HG ARG 11 -0.207 3.853 -7.741
109 HD2 ARG 11 2HD ARG 11 -1.278 6.626 -7.510
110 HD3 ARG 11 3HD ARG 11 -0.198 6.234 -8.847
111 HE ARG 11 HE ARG 11 -2.924 5.434 -8.548
112 HH11 ARG 11 1HH1 ARG 11 0.150 4.517 -9.899
113 HH12 ARG 11 2HH1 ARG 11 -0.543 3.534 -11.146
114 HH21 ARG 11 1HH2 ARG 11 -3.850 4.142 -10.185
115 HH22 ARG 11 2HH2 ARG 11 -2.819 3.322 -11.308
Start of MODEL 18
1 H1 ARG 1 H ARG 1 1.114 -0.808 0.002
2 HA ARG 1 HA ARG 1 3.598 -0.051 -1.130
3 HB2 ARG 1 2HB ARG 1 1.145 -1.419 -2.196
4 HB3 ARG 1 3HB ARG 1 2.464 -0.979 -3.272
5 HG2 ARG 1 2HG ARG 1 3.980 -2.405 -2.155
6 HG3 ARG 1 3HG ARG 1 2.867 -2.644 -0.805
7 HD2 ARG 1 2HD ARG 1 1.649 -3.376 -3.322
8 HD3 ARG 1 3HD ARG 1 3.152 -4.259 -3.056
9 HE ARG 1 HE ARG 1 1.838 -4.486 -0.689
10 HH11 ARG 1 1HH1 ARG 1 1.010 -5.167 -4.001
11 HH12 ARG 1 2HH1 ARG 1 -0.066 -6.466 -3.602
12 HH21 ARG 1 1HH2 ARG 1 0.425 -6.193 -0.150
13 HH22 ARG 1 2HH2 ARG 1 -0.398 -7.048 -1.411
14 H LEU 2 H LEU 2 2.156 2.254 -0.340
15 HA LEU 2 HA LEU 2 1.465 3.503 -2.911
16 HB2 LEU 2 2HB LEU 2 0.606 5.344 -1.280
17 HB3 LEU 2 3HB LEU 2 -0.350 3.892 -1.571
18 HG LEU 2 HG LEU 2 0.377 2.954 0.544
19 HD11 LEU 2 1HD1 LEU 2 1.697 4.361 2.113
20 HD12 LEU 2 2HD1 LEU 2 2.011 5.474 0.782
21 HD13 LEU 2 3HD1 LEU 2 2.606 3.816 0.703
22 HD21 LEU 2 3HD2 LEU 2 -0.832 5.683 0.499
23 HD22 LEU 2 1HD2 LEU 2 -0.497 4.902 2.044
24 HD23 LEU 2 2HD2 LEU 2 -1.574 4.129 0.881
25 H TYR 3 H TYR 3 4.099 3.183 -2.669
26 HA TYR 3 HA TYR 3 5.040 5.919 -2.210
27 HB2 TYR 3 2HB TYR 3 7.135 5.006 -1.185
28 HB3 TYR 3 3HB TYR 3 5.697 4.782 -0.196
29 HD1 TYR 3 HD2 TYR 3 8.041 3.053 -2.484
30 HD2 TYR 3 HD1 TYR 3 4.985 2.620 0.445
31 HE1 TYR 3 HE2 TYR 3 8.513 0.643 -2.356
32 HE2 TYR 3 HE1 TYR 3 5.450 0.209 0.582
33 HH TYR 3 HH TYR 3 8.170 -1.202 -0.491
34 H ARG 4 H ARG 4 5.827 6.609 -4.076
35 HA ARG 4 HA ARG 4 6.628 4.812 -6.157
36 HB2 ARG 4 2HB ARG 4 7.022 6.802 -7.475
37 HB3 ARG 4 3HB ARG 4 5.506 6.975 -6.602
38 HG2 ARG 4 2HG ARG 4 7.452 8.068 -4.925
39 HG3 ARG 4 3HG ARG 4 7.846 8.637 -6.548
40 HD2 ARG 4 2HD ARG 4 5.607 9.499 -6.832
41 HD3 ARG 4 3HD ARG 4 5.119 8.827 -5.277
42 HE ARG 4 HE ARG 4 6.452 11.296 -5.718
43 HH11 ARG 4 1HH1 ARG 4 6.226 8.626 -3.495
44 HH12 ARG 4 2HH1 ARG 4 6.713 9.561 -2.120
45 HH21 ARG 4 1HH2 ARG 4 7.093 12.537 -3.915
46 HH22 ARG 4 2HH2 ARG 4 7.205 11.785 -2.360
47 H ARG 5 H ARG 5 8.206 4.306 -3.957
48 HA ARG 5 HA ARG 5 10.713 5.678 -4.112
49 HB2 ARG 5 2HB ARG 5 11.370 4.386 -2.328
50 HB3 ARG 5 3HB ARG 5 9.623 4.307 -2.144
51 HG2 ARG 5 2HG ARG 5 9.609 2.140 -3.292
52 HG3 ARG 5 3HG ARG 5 11.367 2.218 -3.432
53 HD2 ARG 5 2HD ARG 5 9.983 2.421 -0.776
54 HD3 ARG 5 3HD ARG 5 10.371 0.860 -1.499
55 HE ARG 5 HE ARG 5 12.682 2.437 -1.506
56 HH11 ARG 5 1HH1 ARG 5 10.556 0.854 0.751
57 HH12 ARG 5 2HH1 ARG 5 11.790 0.608 1.941
58 HH21 ARG 5 1HH2 ARG 5 14.316 2.119 0.053
59 HH22 ARG 5 2HH2 ARG 5 13.928 1.329 1.544
60 H ARG 6 H ARG 6 9.552 2.488 -5.163
61 HA ARG 6 HA ARG 6 12.057 1.879 -6.463
62 HB2 ARG 6 2HB ARG 6 9.592 0.298 -7.008
63 HB3 ARG 6 3HB ARG 6 11.243 -0.250 -6.751
64 HG2 ARG 6 2HG ARG 6 10.923 0.455 -4.324
65 HG3 ARG 6 3HG ARG 6 9.204 0.557 -4.707
66 HD2 ARG 6 2HD ARG 6 10.999 -1.848 -4.736
67 HD3 ARG 6 3HD ARG 6 9.501 -1.602 -3.840
68 HE ARG 6 HE ARG 6 8.709 -1.467 -6.425
69 HH11 ARG 6 1HH1 ARG 6 10.556 -3.786 -4.599
70 HH12 ARG 6 2HH1 ARG 6 10.037 -5.141 -5.547
71 HH21 ARG 6 1HH2 ARG 6 8.019 -3.242 -7.680
72 HH22 ARG 6 2HH2 ARG 6 8.595 -4.830 -7.300
73 H PHE 7 H PHE 7 8.694 2.172 -7.628
74 HA PHE 7 HA PHE 7 9.737 3.375 -10.095
75 HB2 PHE 7 2HB PHE 7 8.103 2.057 -11.413
76 HB3 PHE 7 3HB PHE 7 9.306 1.043 -10.623
77 HD1 PHE 7 HD1 PHE 7 8.340 0.725 -7.940
78 HD2 PHE 7 HD2 PHE 7 6.146 0.867 -11.585
79 HE1 PHE 7 HE1 PHE 7 6.544 -0.602 -6.907
80 HE2 PHE 7 HE2 PHE 7 4.346 -0.458 -10.558
81 HZ PHE 7 HZ PHE 7 4.543 -1.194 -8.216
82 H VAL 8 H VAL 8 6.455 2.392 -9.209
83 HA VAL 8 HA VAL 8 5.708 5.225 -8.959
84 HB VAL 8 HB VAL 8 4.379 5.192 -10.738
85 HG11 VAL 8 1HG1 VAL 8 5.678 2.520 -11.038
86 HG12 VAL 8 2HG1 VAL 8 4.428 3.020 -12.179
87 HG13 VAL 8 3HG1 VAL 8 5.892 3.986 -11.994
88 HG21 VAL 8 3HG2 VAL 8 2.637 3.309 -10.978
89 HG22 VAL 8 1HG2 VAL 8 3.222 2.771 -9.403
90 HG23 VAL 8 2HG2 VAL 8 2.525 4.381 -9.582
91 H VAL 9 H VAL 9 5.954 2.484 -7.356
92 HA VAL 9 HA VAL 9 3.594 1.666 -6.294
93 HB VAL 9 HB VAL 9 5.197 1.936 -4.027
94 HG11 VAL 9 1HG1 VAL 9 5.832 -0.491 -4.713
95 HG12 VAL 9 2HG1 VAL 9 4.149 -0.097 -4.357
96 HG13 VAL 9 3HG1 VAL 9 4.692 -0.222 -6.031
97 HG21 VAL 9 3HG2 VAL 9 7.073 0.986 -6.115
98 HG22 VAL 9 1HG2 VAL 9 6.857 2.729 -5.953
99 HG23 VAL 9 2HG2 VAL 9 7.399 1.776 -4.572
100 H GLY 10 H GLY 10 4.587 4.833 -6.373
101 HA2 GLY 10 2HA GLY 10 4.061 6.101 -4.065
102 HA3 GLY 10 3HA GLY 10 3.457 6.707 -5.601
103 H ARG 11 H ARG 11 1.735 4.270 -5.886
104 HA ARG 11 HA ARG 11 -0.293 4.932 -3.857
105 HB2 ARG 11 2HB ARG 11 -1.874 4.279 -5.913
106 HB3 ARG 11 3HB ARG 11 -1.338 5.927 -5.617
107 HG2 ARG 11 2HG ARG 11 0.657 5.244 -7.159
108 HG3 ARG 11 3HG ARG 11 -0.463 3.996 -7.707
109 HD2 ARG 11 2HD ARG 11 -1.876 6.454 -7.594
110 HD3 ARG 11 3HD ARG 11 -0.356 6.741 -8.441
111 HE ARG 11 HE ARG 11 -2.586 5.158 -9.353
112 HH11 ARG 11 1HH1 ARG 11 0.823 5.794 -9.668
113 HH12 ARG 11 2HH1 ARG 11 0.925 5.159 -11.277
114 HH21 ARG 11 1HH2 ARG 11 -2.464 4.319 -11.470
115 HH22 ARG 11 2HH2 ARG 11 -0.945 4.321 -12.301
Start of MODEL 19
1 H1 ARG 1 H ARG 1 1.713 -1.043 0.551
2 HA ARG 1 HA ARG 1 3.800 -0.114 -0.822
3 HB2 ARG 1 2HB ARG 1 3.052 -1.346 -2.784
4 HB3 ARG 1 3HB ARG 1 2.681 -2.248 -1.321
5 HG2 ARG 1 2HG ARG 1 0.557 -2.370 -1.918
6 HG3 ARG 1 3HG ARG 1 0.447 -0.609 -1.945
7 HD2 ARG 1 2HD ARG 1 0.781 -0.486 -4.205
8 HD3 ARG 1 3HD ARG 1 1.730 -1.971 -4.254
9 HE ARG 1 HE ARG 1 -1.031 -2.405 -3.604
10 HH11 ARG 1 1HH1 ARG 1 1.258 -1.989 -6.194
11 HH12 ARG 1 2HH1 ARG 1 0.293 -2.835 -7.358
12 HH21 ARG 1 1HH2 ARG 1 -2.311 -3.521 -5.127
13 HH22 ARG 1 2HH2 ARG 1 -1.738 -3.705 -6.750
14 H LEU 2 H LEU 2 2.308 2.197 -0.148
15 HA LEU 2 HA LEU 2 1.617 3.312 -2.781
16 HB2 LEU 2 2HB LEU 2 0.702 5.206 -1.245
17 HB3 LEU 2 3HB LEU 2 -0.221 3.723 -1.480
18 HG LEU 2 HG LEU 2 0.499 2.898 0.684
19 HD11 LEU 2 1HD1 LEU 2 1.781 4.380 2.200
20 HD12 LEU 2 2HD1 LEU 2 2.070 5.464 0.840
21 HD13 LEU 2 3HD1 LEU 2 2.712 3.822 0.810
22 HD21 LEU 2 3HD2 LEU 2 -1.507 4.175 0.725
23 HD22 LEU 2 1HD2 LEU 2 -0.614 5.696 0.686
24 HD23 LEU 2 2HD2 LEU 2 -0.547 4.671 2.120
25 H TYR 3 H TYR 3 4.255 3.060 -2.494
26 HA TYR 3 HA TYR 3 5.133 5.833 -2.152
27 HB2 TYR 3 2HB TYR 3 7.234 5.015 -1.062
28 HB3 TYR 3 3HB TYR 3 5.788 4.805 -0.080
29 HD1 TYR 3 HD2 TYR 3 8.197 3.025 -2.257
30 HD2 TYR 3 HD1 TYR 3 5.114 2.661 0.652
31 HE1 TYR 3 HE2 TYR 3 8.719 0.634 -2.012
32 HE2 TYR 3 HE1 TYR 3 5.628 0.269 0.907
33 HH TYR 3 HH TYR 3 7.877 -1.363 -1.214
34 H ARG 4 H ARG 4 5.927 6.452 -4.040
35 HA ARG 4 HA ARG 4 6.792 4.578 -6.025
36 HB2 ARG 4 2HB ARG 4 7.152 6.507 -7.434
37 HB3 ARG 4 3HB ARG 4 5.630 6.701 -6.575
38 HG2 ARG 4 2HG ARG 4 7.384 7.940 -4.894
39 HG3 ARG 4 3HG ARG 4 8.060 8.314 -6.481
40 HD2 ARG 4 2HD ARG 4 5.492 8.817 -6.997
41 HD3 ARG 4 3HD ARG 4 5.487 9.137 -5.263
42 HE ARG 4 HE ARG 4 6.688 10.741 -7.311
43 HH11 ARG 4 1HH1 ARG 4 6.836 9.846 -3.950
44 HH12 ARG 4 2HH1 ARG 4 7.616 11.314 -3.459
45 HH21 ARG 4 1HH2 ARG 4 7.714 12.677 -6.677
46 HH22 ARG 4 2HH2 ARG 4 8.114 12.923 -5.011
47 H ARG 5 H ARG 5 8.350 4.227 -3.771
48 HA ARG 5 HA ARG 5 10.829 5.638 -3.963
49 HB2 ARG 5 2HB ARG 5 11.489 4.442 -2.115
50 HB3 ARG 5 3HB ARG 5 9.742 4.328 -1.951
51 HG2 ARG 5 2HG ARG 5 9.798 2.114 -3.004
52 HG3 ARG 5 3HG ARG 5 11.555 2.229 -3.123
53 HD2 ARG 5 2HD ARG 5 10.128 2.513 -0.497
54 HD3 ARG 5 3HD ARG 5 10.561 0.932 -1.145
55 HE ARG 5 HE ARG 5 12.804 2.664 -1.141
56 HH11 ARG 5 1HH1 ARG 5 10.802 0.747 0.965
57 HH12 ARG 5 2HH1 ARG 5 12.052 0.490 2.136
58 HH21 ARG 5 1HH2 ARG 5 14.459 2.333 0.394
59 HH22 ARG 5 2HH2 ARG 5 14.132 1.394 1.811
60 H ARG 6 H ARG 6 9.754 2.379 -4.886
61 HA ARG 6 HA ARG 6 12.289 1.772 -6.128
62 HB2 ARG 6 2HB ARG 6 9.860 0.115 -6.622
63 HB3 ARG 6 3HB ARG 6 11.522 -0.387 -6.342
64 HG2 ARG 6 2HG ARG 6 11.172 0.431 -3.945
65 HG3 ARG 6 3HG ARG 6 9.452 0.436 -4.341
66 HD2 ARG 6 2HD ARG 6 11.355 -1.883 -4.254
67 HD3 ARG 6 3HD ARG 6 9.845 -1.665 -3.371
68 HE ARG 6 HE ARG 6 9.057 -1.684 -5.961
69 HH11 ARG 6 1HH1 ARG 6 10.998 -3.832 -4.027
70 HH12 ARG 6 2HH1 ARG 6 10.543 -5.250 -4.912
71 HH21 ARG 6 1HH2 ARG 6 8.450 -3.544 -7.134
72 HH22 ARG 6 2HH2 ARG 6 9.095 -5.085 -6.679
73 H PHE 7 H PHE 7 8.936 1.927 -7.347
74 HA PHE 7 HA PHE 7 9.983 3.048 -9.851
75 HB2 PHE 7 2HB PHE 7 8.399 1.633 -11.129
76 HB3 PHE 7 3HB PHE 7 9.615 0.685 -10.280
77 HD1 PHE 7 HD2 PHE 7 8.618 0.463 -7.598
78 HD2 PHE 7 HD1 PHE 7 6.474 0.390 -11.274
79 HE1 PHE 7 HE2 PHE 7 6.840 -0.860 -6.530
80 HE2 PHE 7 HE1 PHE 7 4.691 -0.932 -10.211
81 HZ PHE 7 HZ PHE 7 4.874 -1.560 -7.837
82 H VAL 8 H VAL 8 6.713 2.025 -8.968
83 HA VAL 8 HA VAL 8 5.895 4.847 -8.852
84 HB VAL 8 HB VAL 8 4.589 4.701 -10.642
85 HG11 VAL 8 1HG1 VAL 8 5.959 2.053 -10.809
86 HG12 VAL 8 2HG1 VAL 8 4.712 2.470 -11.985
87 HG13 VAL 8 3HG1 VAL 8 6.148 3.481 -11.826
88 HG21 VAL 8 3HG2 VAL 8 2.900 2.763 -10.819
89 HG22 VAL 8 1HG2 VAL 8 3.477 2.313 -9.214
90 HG23 VAL 8 2HG2 VAL 8 2.741 3.894 -9.475
91 H VAL 9 H VAL 9 6.188 2.192 -7.121
92 HA VAL 9 HA VAL 9 3.833 1.365 -6.052
93 HB VAL 9 HB VAL 9 5.402 1.773 -3.781
94 HG11 VAL 9 1HG1 VAL 9 6.098 -0.667 -4.346
95 HG12 VAL 9 2HG1 VAL 9 4.400 -0.297 -4.037
96 HG13 VAL 9 3HG1 VAL 9 4.975 -0.485 -5.694
97 HG21 VAL 9 3HG2 VAL 9 7.323 0.775 -5.806
98 HG22 VAL 9 1HG2 VAL 9 7.067 2.517 -5.721
99 HG23 VAL 9 2HG2 VAL 9 7.613 1.636 -4.295
100 H GLY 10 H GLY 10 4.747 4.546 -6.268
101 HA2 GLY 10 2HA GLY 10 4.167 5.904 -4.022
102 HA3 GLY 10 3HA GLY 10 3.570 6.426 -5.590
103 H ARG 11 H ARG 11 1.910 3.935 -5.781
104 HA ARG 11 HA ARG 11 -0.163 4.646 -3.813
105 HB2 ARG 11 2HB ARG 11 -1.708 3.865 -5.841
106 HB3 ARG 11 3HB ARG 11 -1.189 5.534 -5.646
107 HG2 ARG 11 2HG ARG 11 0.816 4.801 -7.132
108 HG3 ARG 11 3HG ARG 11 -0.257 3.477 -7.592
109 HD2 ARG 11 2HD ARG 11 -1.657 5.995 -7.639
110 HD3 ARG 11 3HD ARG 11 -0.206 6.069 -8.639
111 HE ARG 11 HE ARG 11 -1.172 4.588 -10.106
112 HH11 ARG 11 1HH1 ARG 11 -3.024 4.691 -7.160
113 HH12 ARG 11 2HH1 ARG 11 -4.342 3.769 -7.802
114 HH21 ARG 11 1HH2 ARG 11 -2.901 3.372 -10.963
115 HH22 ARG 11 2HH2 ARG 11 -4.270 3.018 -9.966
Start of MODEL 20
1 H1 ARG 1 H ARG 1 1.606 -1.312 0.115
2 HA ARG 1 HA ARG 1 3.669 -0.265 -1.201
3 HB2 ARG 1 2HB ARG 1 2.985 -1.419 -3.207
4 HB3 ARG 1 3HB ARG 1 2.526 -2.384 -1.811
5 HG2 ARG 1 2HG ARG 1 0.223 -1.379 -2.021
6 HG3 ARG 1 3HG ARG 1 0.749 -0.726 -3.574
7 HD2 ARG 1 2HD ARG 1 0.847 -2.789 -4.564
8 HD3 ARG 1 3HD ARG 1 1.168 -3.621 -3.044
9 HE ARG 1 HE ARG 1 -1.382 -3.128 -4.220
10 HH11 ARG 1 1HH1 ARG 1 0.283 -3.475 -1.182
11 HH12 ARG 1 2HH1 ARG 1 -1.126 -4.000 -0.321
12 HH21 ARG 1 1HH2 ARG 1 -3.244 -3.818 -3.097
13 HH22 ARG 1 2HH2 ARG 1 -3.131 -4.195 -1.412
14 H LEU 2 H LEU 2 2.078 1.960 -0.384
15 HA LEU 2 HA LEU 2 1.394 3.229 -2.946
16 HB2 LEU 2 2HB LEU 2 0.437 5.004 -1.291
17 HB3 LEU 2 3HB LEU 2 -0.457 3.525 -1.637
18 HG LEU 2 HG LEU 2 0.267 2.562 0.470
19 HD11 LEU 2 1HD1 LEU 2 1.536 3.886 2.089
20 HD12 LEU 2 2HD1 LEU 2 1.729 5.165 0.890
21 HD13 LEU 2 3HD1 LEU 2 2.468 3.586 0.622
22 HD21 LEU 2 3HD2 LEU 2 -0.927 4.050 1.992
23 HD22 LEU 2 1HD2 LEU 2 -1.767 3.912 0.448
24 HD23 LEU 2 2HD2 LEU 2 -0.821 5.356 0.810
25 H TYR 3 H TYR 3 4.024 3.036 -2.709
26 HA TYR 3 HA TYR 3 4.843 5.792 -2.161
27 HB2 TYR 3 2HB TYR 3 6.994 4.895 -1.177
28 HB3 TYR 3 3HB TYR 3 5.562 4.693 -0.174
29 HD1 TYR 3 HD1 TYR 3 7.836 2.910 -2.499
30 HD2 TYR 3 HD2 TYR 3 4.877 2.554 0.536
31 HE1 TYR 3 HE1 TYR 3 8.292 0.498 -2.346
32 HE2 TYR 3 HE2 TYR 3 5.325 0.141 0.699
33 HH TYR 3 HH TYR 3 7.560 -1.361 0.089
34 H ARG 4 H ARG 4 5.669 6.580 -3.970
35 HA ARG 4 HA ARG 4 6.502 4.901 -6.127
36 HB2 ARG 4 2HB ARG 4 7.291 7.246 -7.021
37 HB3 ARG 4 3HB ARG 4 5.580 6.849 -6.929
38 HG2 ARG 4 2HG ARG 4 6.103 9.114 -6.112
39 HG3 ARG 4 3HG ARG 4 5.347 8.093 -4.887
40 HD2 ARG 4 2HD ARG 4 7.151 9.307 -3.870
41 HD3 ARG 4 3HD ARG 4 7.603 7.606 -3.977
42 HE ARG 4 HE ARG 4 8.622 8.744 -6.246
43 HH11 ARG 4 1HH1 ARG 4 8.939 9.317 -2.827
44 HH12 ARG 4 2HH1 ARG 4 10.558 9.923 -2.946
45 HH21 ARG 4 1HH2 ARG 4 10.753 9.539 -6.416
46 HH22 ARG 4 2HH2 ARG 4 11.588 10.050 -4.988
47 H ARG 5 H ARG 5 8.033 4.424 -3.789
48 HA ARG 5 HA ARG 5 10.545 5.731 -3.871
49 HB2 ARG 5 2HB ARG 5 11.161 4.334 -2.159
50 HB3 ARG 5 3HB ARG 5 9.412 4.211 -2.032
51 HG2 ARG 5 2HG ARG 5 9.474 2.131 -3.330
52 HG3 ARG 5 3HG ARG 5 11.233 2.250 -3.410
53 HD2 ARG 5 2HD ARG 5 9.790 2.259 -0.782
54 HD3 ARG 5 3HD ARG 5 10.179 0.748 -1.603
55 HE ARG 5 HE ARG 5 12.526 2.191 -1.514
56 HH11 ARG 5 1HH1 ARG 5 10.257 0.888 0.782
57 HH12 ARG 5 2HH1 ARG 5 11.446 0.649 2.019
58 HH21 ARG 5 1HH2 ARG 5 14.101 1.882 0.106
59 HH22 ARG 5 2HH2 ARG 5 13.633 1.216 1.634
60 H ARG 6 H ARG 6 9.409 2.629 -5.178
61 HA ARG 6 HA ARG 6 11.945 2.109 -6.457
62 HB2 ARG 6 2HB ARG 6 9.290 0.672 -6.599
63 HB3 ARG 6 3HB ARG 6 10.762 0.117 -7.385
64 HG2 ARG 6 2HG ARG 6 10.563 0.570 -4.421
65 HG3 ARG 6 3HG ARG 6 10.199 -0.975 -5.191
66 HD2 ARG 6 2HD ARG 6 12.618 -0.367 -6.288
67 HD3 ARG 6 3HD ARG 6 12.779 0.316 -4.670
68 HE ARG 6 HE ARG 6 12.896 -1.806 -3.839
69 HH11 ARG 6 1HH1 ARG 6 11.506 -1.927 -7.028
70 HH12 ARG 6 2HH1 ARG 6 11.497 -3.658 -7.100
71 HH21 ARG 6 1HH2 ARG 6 12.889 -4.085 -3.921
72 HH22 ARG 6 2HH2 ARG 6 12.282 -4.885 -5.332
73 H PHE 7 H PHE 7 8.613 2.429 -7.700
74 HA PHE 7 HA PHE 7 9.694 3.862 -10.021
75 HB2 PHE 7 2HB PHE 7 8.117 2.592 -11.487
76 HB3 PHE 7 3HB PHE 7 9.399 1.601 -10.799
77 HD1 PHE 7 HD1 PHE 7 8.486 0.942 -8.165
78 HD2 PHE 7 HD2 PHE 7 6.248 1.289 -11.769
79 HE1 PHE 7 HE1 PHE 7 6.804 -0.612 -7.266
80 HE2 PHE 7 HE2 PHE 7 4.562 -0.264 -10.875
81 HZ PHE 7 HZ PHE 7 4.838 -1.216 -8.621
82 H VAL 8 H VAL 8 6.435 2.675 -9.298
83 HA VAL 8 HA VAL 8 5.553 5.455 -8.916
84 HB VAL 8 HB VAL 8 4.221 5.436 -10.694
85 HG11 VAL 8 1HG1 VAL 8 5.650 2.843 -11.142
86 HG12 VAL 8 2HG1 VAL 8 4.434 3.414 -12.286
87 HG13 VAL 8 3HG1 VAL 8 5.866 4.390 -11.959
88 HG21 VAL 8 3HG2 VAL 8 2.612 3.459 -11.059
89 HG22 VAL 8 1HG2 VAL 8 3.223 2.867 -9.514
90 HG23 VAL 8 2HG2 VAL 8 2.420 4.435 -9.602
91 H VAL 9 H VAL 9 5.899 2.630 -7.456
92 HA VAL 9 HA VAL 9 3.559 1.689 -6.449
93 HB VAL 9 HB VAL 9 5.164 1.873 -4.170
94 HG11 VAL 9 1HG1 VAL 9 5.853 -0.502 -5.020
95 HG12 VAL 9 2HG1 VAL 9 4.178 -0.167 -4.575
96 HG13 VAL 9 3HG1 VAL 9 4.655 -0.180 -6.274
97 HG21 VAL 9 3HG2 VAL 9 7.034 1.093 -6.342
98 HG22 VAL 9 1HG2 VAL 9 6.804 2.813 -6.025
99 HG23 VAL 9 2HG2 VAL 9 7.371 1.748 -4.739
100 H GLY 10 H GLY 10 4.439 4.878 -6.367
101 HA2 GLY 10 2HA GLY 10 3.897 6.001 -3.983
102 HA3 GLY 10 3HA GLY 10 3.269 6.673 -5.481
103 H ARG 11 H ARG 11 1.624 4.192 -5.884
104 HA ARG 11 HA ARG 11 -0.422 4.699 -3.827
105 HB2 ARG 11 2HB ARG 11 -1.825 3.961 -6.107
106 HB3 ARG 11 3HB ARG 11 -1.707 5.580 -5.431
107 HG2 ARG 11 2HG ARG 11 -0.205 6.279 -7.000
108 HG3 ARG 11 3HG ARG 11 0.451 4.660 -7.252
109 HD2 ARG 11 2HD ARG 11 -2.215 5.694 -8.211
110 HD3 ARG 11 3HD ARG 11 -0.796 5.368 -9.205
111 HE ARG 11 HE ARG 11 -1.350 2.997 -7.946
112 HH11 ARG 11 1HH1 ARG 11 -3.076 5.176 -10.041
113 HH12 ARG 11 2HH1 ARG 11 -4.045 3.930 -10.756
114 HH21 ARG 11 1HH2 ARG 11 -2.619 1.347 -8.879
115 HH22 ARG 11 2HH2 ARG 11 -3.785 1.752 -10.094
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