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 |
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640575 |
6mbm   |
30509 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 -13.180 3.196 -2.617
2 H2 LYS 1 HT2 LYS 1 -12.588 1.829 -3.415
3 H3 LYS 1 HT3 LYS 1 -11.550 3.112 -3.060
4 HA LYS 1 HA LYS 1 -11.817 2.726 -0.705
5 HB2 LYS 1 HB2 LYS 1 -13.434 0.336 -1.617
6 HB3 LYS 1 HB1 LYS 1 -12.938 0.653 0.038
7 HG2 LYS 1 HG2 LYS 1 -14.295 2.677 0.068
8 HG3 LYS 1 HG1 LYS 1 -14.780 2.380 -1.602
9 HD2 LYS 1 HD2 LYS 1 -15.793 0.243 -0.902
10 HD3 LYS 1 HD1 LYS 1 -15.351 0.601 0.768
11 HE2 LYS 1 HE2 LYS 1 -16.747 2.614 0.698
12 HE3 LYS 1 HE1 LYS 1 -17.188 2.247 -0.969
13 HZ1 LYS 1 HZ1 LYS 1 -18.205 0.191 -0.203
14 HZ2 LYS 1 HZ2 LYS 1 -18.898 1.529 0.560
15 HZ3 LYS 1 HZ3 LYS 1 -17.795 0.560 1.396
16 H TRP 2 HN TRP 2 -10.269 1.498 0.323
17 HA TRP 2 HA TRP 2 -8.488 0.157 0.626
18 HB2 TRP 2 HB2 TRP 2 -9.902 -1.580 -1.397
19 HB3 TRP 2 HB1 TRP 2 -8.545 -2.097 -0.401
20 HD1 TRP 2 HD1 TRP 2 -12.269 -1.719 -0.352
21 HE1 TRP 2 HE1 TRP 2 -13.190 -2.419 1.946
22 HE3 TRP 2 HE3 TRP 2 -7.868 -2.022 2.233
23 HZ2 TRP 2 HZ2 TRP 2 -12.175 -3.013 4.520
24 HZ3 TRP 2 HZ3 TRP 2 -7.948 -2.657 4.611
25 HH2 TRP 2 HH2 TRP 2 -10.070 -3.137 5.711
26 H ALA 3 HN ALA 3 -8.558 2.126 -1.758
27 HA ALA 3 HA ALA 3 -6.424 0.978 -3.362
28 HB1 ALA 3 HB1 ALA 3 -7.469 3.790 -3.535
29 HB2 ALA 3 HB2 ALA 3 -8.216 2.423 -4.364
30 HB3 ALA 3 HB3 ALA 3 -6.555 2.887 -4.748
31 H VAL 4 HN VAL 4 -6.740 2.629 -0.472
32 HA VAL 4 HA VAL 4 -4.410 4.173 -0.396
33 HB VAL 4 HB VAL 4 -5.788 2.681 1.850
34 HG11 VAL 4 HG11 VAL 4 -3.924 5.026 1.897
35 HG12 VAL 4 HG12 VAL 4 -3.576 3.399 2.479
36 HG13 VAL 4 HG13 VAL 4 -4.796 4.387 3.285
37 HG21 VAL 4 HG21 VAL 4 -7.340 4.156 0.714
38 HG22 VAL 4 HG22 VAL 4 -6.190 5.488 0.842
39 HG23 VAL 4 HG23 VAL 4 -6.915 4.809 2.297
40 H ARG 5 HN ARG 5 -5.055 0.777 -0.110
41 HA ARG 5 HA ARG 5 -2.598 -0.047 1.028
42 HB2 ARG 5 HB2 ARG 5 -4.418 -1.628 -0.798
43 HB3 ARG 5 HB1 ARG 5 -3.232 -2.280 0.326
44 HG2 ARG 5 HG2 ARG 5 -5.704 -0.731 1.076
45 HG3 ARG 5 HG1 ARG 5 -5.499 -2.479 1.196
46 HD2 ARG 5 HD2 ARG 5 -3.822 -2.245 2.870
47 HD3 ARG 5 HD1 ARG 5 -3.724 -0.505 2.619
48 HE ARG 5 HE ARG 5 -6.253 -0.745 3.364
49 HH11 ARG 5 HH11 ARG 5 -3.397 -2.260 4.702
50 HH12 ARG 5 HH12 ARG 5 -4.001 -2.263 6.328
51 HH21 ARG 5 HH21 ARG 5 -7.066 -0.763 5.494
52 HH22 ARG 5 HH22 ARG 5 -6.100 -1.424 6.774
53 H ILE 6 HN ILE 6 -3.473 1.033 -2.085
54 HA ILE 6 HA ILE 6 -1.402 -0.224 -3.596
55 HB ILE 6 HB ILE 6 -3.172 2.176 -4.077
56 HG12 ILE 6 HG12 ILE 6 -4.253 0.889 -5.726
57 HG13 ILE 6 HG11 ILE 6 -2.936 -0.278 -5.815
58 HG21 ILE 6 HG21 ILE 6 -2.221 2.415 -6.310
59 HG22 ILE 6 HG22 ILE 6 -1.021 1.177 -5.933
60 HG23 ILE 6 HG23 ILE 6 -1.012 2.708 -5.057
61 HD11 ILE 6 HD11 ILE 6 -5.002 -1.136 -4.763
62 HD12 ILE 6 HD12 ILE 6 -4.784 0.037 -3.463
63 HD13 ILE 6 HD13 ILE 6 -3.587 -1.231 -3.715
64 H ILE 7 HN ILE 7 -1.724 2.822 -1.831
65 HA ILE 7 HA ILE 7 0.868 3.801 -2.510
66 HB ILE 7 HB ILE 7 -0.987 4.502 -0.222
67 HG12 ILE 7 HG12 ILE 7 -1.080 6.702 -1.499
68 HG13 ILE 7 HG11 ILE 7 -0.259 5.875 -2.816
69 HG21 ILE 7 HG21 ILE 7 1.621 5.822 -0.961
70 HG22 ILE 7 HG22 ILE 7 1.318 4.861 0.487
71 HG23 ILE 7 HG23 ILE 7 0.479 6.395 0.255
72 HD11 ILE 7 HD11 ILE 7 -2.655 5.999 -3.187
73 HD12 ILE 7 HD12 ILE 7 -2.945 5.136 -1.677
74 HD13 ILE 7 HD13 ILE 7 -2.127 4.326 -3.012
75 H ARG 8 HN ARG 8 -0.474 1.836 0.072
76 HA ARG 8 HA ARG 8 1.931 1.514 1.538
77 HB2 ARG 8 HB2 ARG 8 -0.514 -0.254 1.338
78 HB3 ARG 8 HB1 ARG 8 0.799 -0.516 2.475
79 HG2 ARG 8 HG2 ARG 8 -0.901 1.965 2.368
80 HG3 ARG 8 HG1 ARG 8 -1.151 0.613 3.473
81 HD2 ARG 8 HD2 ARG 8 1.328 2.327 3.315
82 HD3 ARG 8 HD1 ARG 8 0.074 2.441 4.549
83 HE ARG 8 HE ARG 8 0.877 -0.159 4.659
84 HH11 ARG 8 HH11 ARG 8 2.518 2.921 4.949
85 HH12 ARG 8 HH12 ARG 8 3.766 2.299 5.978
86 HH21 ARG 8 HH21 ARG 8 2.499 -0.973 6.023
87 HH22 ARG 8 HH22 ARG 8 3.757 0.076 6.593
88 H LYS 9 HN LYS 9 0.753 0.186 -1.417
89 HA LYS 9 HA LYS 9 2.402 -2.122 -1.537
90 HB2 LYS 9 HB2 LYS 9 0.384 -1.473 -3.024
91 HB3 LYS 9 HB1 LYS 9 1.564 -0.550 -3.953
92 HG2 LYS 9 HG2 LYS 9 1.216 -2.709 -4.935
93 HG3 LYS 9 HG1 LYS 9 2.855 -2.605 -4.290
94 HD2 LYS 9 HD2 LYS 9 2.240 -3.867 -2.363
95 HD3 LYS 9 HD1 LYS 9 0.530 -3.817 -2.815
96 HE2 LYS 9 HE2 LYS 9 2.718 -5.138 -4.396
97 HE3 LYS 9 HE1 LYS 9 1.594 -5.977 -3.328
98 HZ1 LYS 9 HZ1 LYS 9 -0.228 -5.213 -4.734
99 HZ2 LYS 9 HZ2 LYS 9 0.886 -6.120 -5.623
100 HZ3 LYS 9 HZ3 LYS 9 0.869 -4.439 -5.760
101 H PHE 10 HN PHE 10 2.726 1.215 -2.552
102 HA PHE 10 HA PHE 10 5.291 1.062 -3.694
103 HB2 PHE 10 HB2 PHE 10 4.083 3.388 -2.180
104 HB3 PHE 10 HB1 PHE 10 5.386 3.471 -3.362
105 HD1 PHE 10 HD1 PHE 10 3.891 1.357 -5.205
106 HD2 PHE 10 HD2 PHE 10 2.817 5.049 -3.387
107 HE1 PHE 10 HE1 PHE 10 2.248 1.754 -6.994
108 HE2 PHE 10 HE2 PHE 10 1.164 5.451 -5.167
109 HZ PHE 10 HZ PHE 10 0.879 3.802 -6.974
110 H ILE 11 HN ILE 11 4.138 1.495 -0.424
111 HA ILE 11 HA ILE 11 6.633 1.866 0.850
112 HB ILE 11 HB ILE 11 3.929 1.036 1.808
113 HG12 ILE 11 HG12 ILE 11 3.928 3.097 2.873
114 HG13 ILE 11 HG11 ILE 11 5.684 3.142 3.010
115 HG21 ILE 11 HG21 ILE 11 5.370 -0.434 3.052
116 HG22 ILE 11 HG22 ILE 11 4.845 0.876 4.113
117 HG23 ILE 11 HG23 ILE 11 6.466 0.898 3.415
118 HD11 ILE 11 HD11 ILE 11 5.883 3.600 0.652
119 HD12 ILE 11 HD12 ILE 11 4.832 4.798 1.427
120 HD13 ILE 11 HD13 ILE 11 4.132 3.487 0.466
121 H LYS 12 HN LYS 12 4.806 -0.974 -0.044
122 HA LYS 12 HA LYS 12 6.529 -2.854 1.215
123 HB2 LYS 12 HB2 LYS 12 4.595 -3.110 -1.084
124 HB3 LYS 12 HB1 LYS 12 5.521 -4.475 -0.470
125 HG2 LYS 12 HG2 LYS 12 4.503 -4.225 1.712
126 HG3 LYS 12 HG1 LYS 12 3.625 -2.798 1.159
127 HD2 LYS 12 HD2 LYS 12 2.390 -4.131 -0.432
128 HD3 LYS 12 HD1 LYS 12 3.328 -5.564 -0.006
129 HE2 LYS 12 HE2 LYS 12 2.427 -5.535 2.229
130 HE3 LYS 12 HE1 LYS 12 1.583 -4.021 1.909
131 HZ1 LYS 12 HZ1 LYS 12 0.239 -5.144 0.267
132 HZ2 LYS 12 HZ2 LYS 12 0.109 -5.932 1.758
133 HZ3 LYS 12 HZ3 LYS 12 1.064 -6.598 0.533
134 H GLY 13 HN GLY 13 6.776 -0.995 -1.668
135 HA2 GLY 13 HA2 GLY 13 9.034 -2.549 -2.661
136 HA3 GLY 13 HA1 GLY 13 8.353 -1.103 -3.400
137 H PHE 14 HN PHE 14 8.396 0.260 -0.718
138 HA PHE 14 HA PHE 14 11.020 1.395 -0.952
139 HB2 PHE 14 HB2 PHE 14 9.488 2.989 -0.480
140 HB3 PHE 14 HB1 PHE 14 8.458 1.905 0.407
141 HD1 PHE 14 HD1 PHE 14 8.150 2.306 2.548
142 HD2 PHE 14 HD2 PHE 14 11.816 3.485 0.775
143 HE1 PHE 14 HE1 PHE 14 8.849 3.317 4.695
144 HE2 PHE 14 HE2 PHE 14 12.539 4.503 2.904
145 HZ PHE 14 HZ PHE 14 11.051 4.419 4.868
146 H ILE 15 HN ILE 15 9.234 -0.301 1.586
147 HA ILE 15 HA ILE 15 11.461 -0.520 3.356
148 HB ILE 15 HB ILE 15 10.131 -2.104 4.641
149 HG12 ILE 15 HG12 ILE 15 8.173 -1.968 2.335
150 HG13 ILE 15 HG11 ILE 15 9.156 -3.364 2.764
151 HG21 ILE 15 HG21 ILE 15 9.689 0.244 4.961
152 HG22 ILE 15 HG22 ILE 15 8.181 -0.660 5.086
153 HG23 ILE 15 HG23 ILE 15 8.547 0.246 3.618
154 HD11 ILE 15 HD11 ILE 15 6.976 -2.137 4.433
155 HD12 ILE 15 HD12 ILE 15 7.975 -3.513 4.903
156 HD13 ILE 15 HD13 ILE 15 6.883 -3.646 3.525
157 H SER 16 HN SER 16 10.647 -2.226 0.533
158 HA SER 16 HA SER 16 12.761 -4.156 1.076
159 HB2 SER 16 HB2 SER 16 10.013 -4.967 0.092
160 HB3 SER 16 HB1 SER 16 11.396 -6.040 0.305
161 HG SER 16 HG SER 16 11.135 -4.821 2.588
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 -13.259 0.260 1.144
2 H2 LYS 1 HT2 LYS 1 -13.017 -0.571 -0.305
3 H3 LYS 1 HT3 LYS 1 -14.128 0.699 -0.236
4 HA LYS 1 HA LYS 1 -12.089 1.355 -1.334
5 HB2 LYS 1 HB2 LYS 1 -11.600 3.349 0.119
6 HB3 LYS 1 HB1 LYS 1 -13.298 3.114 -0.263
7 HG2 LYS 1 HG2 LYS 1 -13.707 2.197 1.931
8 HG3 LYS 1 HG1 LYS 1 -11.988 2.277 2.317
9 HD2 LYS 1 HD2 LYS 1 -13.681 4.676 1.641
10 HD3 LYS 1 HD1 LYS 1 -13.361 4.128 3.286
11 HE2 LYS 1 HE2 LYS 1 -10.966 4.444 2.930
12 HE3 LYS 1 HE1 LYS 1 -11.272 4.958 1.273
13 HZ1 LYS 1 HZ1 LYS 1 -12.507 6.845 2.115
14 HZ2 LYS 1 HZ2 LYS 1 -10.942 6.840 2.748
15 HZ3 LYS 1 HZ3 LYS 1 -12.242 6.349 3.710
16 H TRP 2 HN TRP 2 -10.132 0.518 -1.585
17 HA TRP 2 HA TRP 2 -8.334 0.463 0.677
18 HB2 TRP 2 HB2 TRP 2 -9.156 -1.959 -0.870
19 HB3 TRP 2 HB1 TRP 2 -7.507 -1.848 -0.266
20 HD1 TRP 2 HD1 TRP 2 -7.350 -1.404 2.516
21 HE1 TRP 2 HE1 TRP 2 -8.772 -2.489 4.367
22 HE3 TRP 2 HE3 TRP 2 -11.330 -2.929 -0.306
23 HZ2 TRP 2 HZ2 TRP 2 -11.258 -3.819 4.586
24 HZ3 TRP 2 HZ3 TRP 2 -13.180 -4.103 0.816
25 HH2 TRP 2 HH2 TRP 2 -13.124 -4.529 3.215
26 H ALA 3 HN ALA 3 -8.567 2.138 -1.677
27 HA ALA 3 HA ALA 3 -6.449 1.421 -3.461
28 HB1 ALA 3 HB1 ALA 3 -7.635 4.151 -2.986
29 HB2 ALA 3 HB2 ALA 3 -8.271 2.952 -4.113
30 HB3 ALA 3 HB3 ALA 3 -6.667 3.641 -4.370
31 H VAL 4 HN VAL 4 -6.666 2.940 -0.380
32 HA VAL 4 HA VAL 4 -4.217 4.258 -0.244
33 HB VAL 4 HB VAL 4 -5.491 2.746 2.035
34 HG11 VAL 4 HG11 VAL 4 -3.335 3.725 2.507
35 HG12 VAL 4 HG12 VAL 4 -4.612 4.595 3.360
36 HG13 VAL 4 HG13 VAL 4 -3.899 5.281 1.903
37 HG21 VAL 4 HG21 VAL 4 -7.275 3.983 1.005
38 HG22 VAL 4 HG22 VAL 4 -6.267 5.429 0.912
39 HG23 VAL 4 HG23 VAL 4 -6.780 4.812 2.483
40 H ARG 5 HN ARG 5 -5.071 0.894 -0.155
41 HA ARG 5 HA ARG 5 -2.649 -0.100 0.941
42 HB2 ARG 5 HB2 ARG 5 -4.749 -1.440 -0.772
43 HB3 ARG 5 HB1 ARG 5 -3.408 -2.285 -0.013
44 HG2 ARG 5 HG2 ARG 5 -5.515 -0.735 1.478
45 HG3 ARG 5 HG1 ARG 5 -5.531 -2.482 1.230
46 HD2 ARG 5 HD2 ARG 5 -3.445 -2.698 2.445
47 HD3 ARG 5 HD1 ARG 5 -3.345 -0.950 2.634
48 HE ARG 5 HE ARG 5 -5.771 -1.775 3.721
49 HH11 ARG 5 HH11 ARG 5 -2.356 -2.219 4.326
50 HH12 ARG 5 HH12 ARG 5 -2.550 -2.409 6.037
51 HH21 ARG 5 HH21 ARG 5 -6.037 -2.027 5.983
52 HH22 ARG 5 HH22 ARG 5 -4.643 -2.296 6.981
53 H ILE 6 HN ILE 6 -3.517 1.100 -2.154
54 HA ILE 6 HA ILE 6 -1.434 -0.192 -3.640
55 HB ILE 6 HB ILE 6 -2.831 2.408 -4.277
56 HG12 ILE 6 HG12 ILE 6 -3.706 -0.385 -4.345
57 HG13 ILE 6 HG11 ILE 6 -4.658 1.099 -4.405
58 HG21 ILE 6 HG21 ILE 6 -1.321 0.475 -6.030
59 HG22 ILE 6 HG22 ILE 6 -0.752 2.061 -5.513
60 HG23 ILE 6 HG23 ILE 6 -2.155 1.931 -6.574
61 HD11 ILE 6 HD11 ILE 6 -4.950 -0.216 -6.408
62 HD12 ILE 6 HD12 ILE 6 -3.210 -0.173 -6.695
63 HD13 ILE 6 HD13 ILE 6 -4.151 1.316 -6.767
64 H ILE 7 HN ILE 7 -1.755 2.806 -1.794
65 HA ILE 7 HA ILE 7 0.852 3.775 -2.390
66 HB ILE 7 HB ILE 7 -1.016 4.348 -0.082
67 HG12 ILE 7 HG12 ILE 7 -0.984 6.649 -1.188
68 HG13 ILE 7 HG11 ILE 7 -0.172 5.883 -2.545
69 HG21 ILE 7 HG21 ILE 7 0.493 6.144 0.593
70 HG22 ILE 7 HG22 ILE 7 1.654 5.635 -0.633
71 HG23 ILE 7 HG23 ILE 7 1.276 4.569 0.721
72 HD11 ILE 7 HD11 ILE 7 -2.527 6.116 -2.990
73 HD12 ILE 7 HD12 ILE 7 -2.922 5.239 -1.513
74 HD13 ILE 7 HD13 ILE 7 -2.112 4.408 -2.840
75 H ARG 8 HN ARG 8 -0.521 1.682 0.086
76 HA ARG 8 HA ARG 8 1.860 1.171 1.516
77 HB2 ARG 8 HB2 ARG 8 -0.496 -0.663 1.074
78 HB3 ARG 8 HB1 ARG 8 0.735 -0.854 2.311
79 HG2 ARG 8 HG2 ARG 8 -1.083 1.530 2.139
80 HG3 ARG 8 HG1 ARG 8 -1.441 0.087 3.077
81 HD2 ARG 8 HD2 ARG 8 -0.498 1.395 4.691
82 HD3 ARG 8 HD1 ARG 8 0.923 0.540 4.104
83 HE ARG 8 HE ARG 8 1.757 2.520 3.312
84 HH11 ARG 8 HH11 ARG 8 -1.655 2.924 4.007
85 HH12 ARG 8 HH12 ARG 8 -1.591 4.658 3.942
86 HH21 ARG 8 HH21 ARG 8 1.834 4.822 3.246
87 HH22 ARG 8 HH22 ARG 8 0.377 5.730 3.509
88 H LYS 9 HN LYS 9 0.583 -0.015 -1.485
89 HA LYS 9 HA LYS 9 2.216 -2.264 -1.893
90 HB2 LYS 9 HB2 LYS 9 0.226 -1.485 -3.276
91 HB3 LYS 9 HB1 LYS 9 1.334 -0.350 -4.040
92 HG2 LYS 9 HG2 LYS 9 1.040 -2.354 -5.365
93 HG3 LYS 9 HG1 LYS 9 2.707 -2.195 -4.818
94 HD2 LYS 9 HD2 LYS 9 2.369 -3.820 -3.111
95 HD3 LYS 9 HD1 LYS 9 0.626 -3.845 -3.418
96 HE2 LYS 9 HE2 LYS 9 1.026 -4.764 -5.648
97 HE3 LYS 9 HE1 LYS 9 2.765 -4.727 -5.360
98 HZ1 LYS 9 HZ1 LYS 9 0.823 -6.311 -3.769
99 HZ2 LYS 9 HZ2 LYS 9 2.507 -6.335 -3.614
100 HZ3 LYS 9 HZ3 LYS 9 1.779 -6.931 -5.016
101 H PHE 10 HN PHE 10 2.622 1.142 -2.654
102 HA PHE 10 HA PHE 10 5.186 0.971 -3.809
103 HB2 PHE 10 HB2 PHE 10 4.065 3.295 -2.235
104 HB3 PHE 10 HB1 PHE 10 5.302 3.358 -3.485
105 HD1 PHE 10 HD1 PHE 10 2.654 4.905 -3.257
106 HD2 PHE 10 HD2 PHE 10 3.774 1.381 -5.351
107 HE1 PHE 10 HE1 PHE 10 0.903 5.350 -4.928
108 HE2 PHE 10 HE2 PHE 10 2.034 1.818 -7.032
109 HZ PHE 10 HZ PHE 10 0.593 3.805 -6.821
110 H ILE 11 HN ILE 11 4.017 1.213 -0.536
111 HA ILE 11 HA ILE 11 6.531 1.655 0.714
112 HB ILE 11 HB ILE 11 3.850 0.816 1.750
113 HG12 ILE 11 HG12 ILE 11 3.800 2.919 2.733
114 HG13 ILE 11 HG11 ILE 11 5.555 3.030 2.829
115 HG21 ILE 11 HG21 ILE 11 4.788 0.752 4.022
116 HG22 ILE 11 HG22 ILE 11 6.408 0.907 3.334
117 HG23 ILE 11 HG23 ILE 11 5.440 -0.531 3.000
118 HD11 ILE 11 HD11 ILE 11 3.971 3.196 0.291
119 HD12 ILE 11 HD12 ILE 11 5.706 3.480 0.492
120 HD13 ILE 11 HD13 ILE 11 4.536 4.592 1.218
121 H LYS 12 HN LYS 12 4.778 -1.168 -0.310
122 HA LYS 12 HA LYS 12 6.255 -3.121 1.067
123 HB2 LYS 12 HB2 LYS 12 4.835 -3.183 -1.582
124 HB3 LYS 12 HB1 LYS 12 5.724 -4.580 -0.994
125 HG2 LYS 12 HG2 LYS 12 4.320 -4.426 1.104
126 HG3 LYS 12 HG1 LYS 12 3.314 -3.271 0.227
127 HD2 LYS 12 HD2 LYS 12 2.724 -4.893 -1.401
128 HD3 LYS 12 HD1 LYS 12 3.957 -6.013 -0.830
129 HE2 LYS 12 HE2 LYS 12 2.716 -6.106 1.354
130 HE3 LYS 12 HE1 LYS 12 1.423 -5.193 0.578
131 HZ1 LYS 12 HZ1 LYS 12 1.030 -7.597 0.553
132 HZ2 LYS 12 HZ2 LYS 12 2.438 -7.827 -0.352
133 HZ3 LYS 12 HZ3 LYS 12 1.140 -6.968 -1.011
134 H GLY 13 HN GLY 13 6.982 -1.377 -1.906
135 HA2 GLY 13 HA2 GLY 13 9.533 -2.745 -2.198
136 HA3 GLY 13 HA1 GLY 13 8.921 -1.443 -3.215
137 H PHE 14 HN PHE 14 8.316 0.397 -1.181
138 HA PHE 14 HA PHE 14 10.490 1.919 -0.804
139 HB2 PHE 14 HB2 PHE 14 8.002 2.275 -0.350
140 HB3 PHE 14 HB1 PHE 14 8.325 1.610 1.248
141 HD1 PHE 14 HD1 PHE 14 10.237 3.884 -0.893
142 HD2 PHE 14 HD2 PHE 14 8.150 3.287 2.729
143 HE1 PHE 14 HE1 PHE 14 10.940 6.142 -0.143
144 HE2 PHE 14 HE2 PHE 14 8.833 5.529 3.520
145 HZ PHE 14 HZ PHE 14 10.231 6.958 2.076
146 H ILE 15 HN ILE 15 9.248 -0.438 1.567
147 HA ILE 15 HA ILE 15 11.223 0.133 3.513
148 HB ILE 15 HB ILE 15 10.467 -1.926 4.648
149 HG12 ILE 15 HG12 ILE 15 8.639 -2.229 2.252
150 HG13 ILE 15 HG11 ILE 15 10.014 -3.267 2.615
151 HG21 ILE 15 HG21 ILE 15 8.281 -0.113 3.638
152 HG22 ILE 15 HG22 ILE 15 9.321 0.171 5.034
153 HG23 ILE 15 HG23 ILE 15 8.166 -1.162 5.050
154 HD11 ILE 15 HD11 ILE 15 7.917 -4.307 3.260
155 HD12 ILE 15 HD12 ILE 15 7.554 -2.943 4.317
156 HD13 ILE 15 HD13 ILE 15 8.926 -3.992 4.672
157 H SER 16 HN SER 16 11.406 -1.811 0.682
158 HA SER 16 HA SER 16 14.036 -2.744 1.519
159 HB2 SER 16 HB2 SER 16 11.906 -4.636 0.494
160 HB3 SER 16 HB1 SER 16 13.583 -5.060 0.842
161 HG SER 16 HG SER 16 12.597 -3.854 2.986
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 -13.427 1.206 0.431
2 H2 LYS 1 HT2 LYS 1 -14.072 2.152 -0.810
3 H3 LYS 1 HT3 LYS 1 -12.880 2.788 0.205
4 HA LYS 1 HA LYS 1 -12.526 0.545 -1.687
5 HB2 LYS 1 HB2 LYS 1 -11.648 3.430 -1.759
6 HB3 LYS 1 HB1 LYS 1 -10.930 2.189 -2.776
7 HG2 LYS 1 HG2 LYS 1 -13.195 1.732 -3.698
8 HG3 LYS 1 HG1 LYS 1 -13.789 3.118 -2.786
9 HD2 LYS 1 HD2 LYS 1 -12.242 4.576 -3.982
10 HD3 LYS 1 HD1 LYS 1 -11.613 3.190 -4.873
11 HE2 LYS 1 HE2 LYS 1 -13.864 2.809 -5.804
12 HE3 LYS 1 HE1 LYS 1 -14.430 4.253 -4.967
13 HZ1 LYS 1 HZ1 LYS 1 -12.869 5.570 -6.250
14 HZ2 LYS 1 HZ2 LYS 1 -13.899 4.712 -7.277
15 HZ3 LYS 1 HZ3 LYS 1 -12.309 4.184 -7.043
16 H TRP 2 HN TRP 2 -10.026 0.390 -2.078
17 HA TRP 2 HA TRP 2 -8.640 0.522 0.470
18 HB2 TRP 2 HB2 TRP 2 -7.762 -1.781 0.106
19 HB3 TRP 2 HB1 TRP 2 -9.501 -1.734 0.368
20 HD1 TRP 2 HD1 TRP 2 -11.068 -2.180 -1.822
21 HE1 TRP 2 HE1 TRP 2 -10.601 -3.527 -3.964
22 HE3 TRP 2 HE3 TRP 2 -5.973 -2.467 -1.518
23 HZ2 TRP 2 HZ2 TRP 2 -8.365 -4.573 -5.334
24 HZ3 TRP 2 HZ3 TRP 2 -4.758 -3.666 -3.293
25 HH2 TRP 2 HH2 TRP 2 -5.952 -4.692 -5.155
26 H ALA 3 HN ALA 3 -8.524 1.997 -2.120
27 HA ALA 3 HA ALA 3 -6.141 1.197 -3.449
28 HB1 ALA 3 HB1 ALA 3 -7.955 2.616 -4.452
29 HB2 ALA 3 HB2 ALA 3 -6.303 3.173 -4.718
30 HB3 ALA 3 HB3 ALA 3 -7.313 3.959 -3.502
31 H VAL 4 HN VAL 4 -6.699 2.719 -0.490
32 HA VAL 4 HA VAL 4 -4.356 4.240 -0.236
33 HB VAL 4 HB VAL 4 -5.813 2.733 1.943
34 HG11 VAL 4 HG11 VAL 4 -4.106 5.195 1.985
35 HG12 VAL 4 HG12 VAL 4 -3.689 3.614 2.645
36 HG13 VAL 4 HG13 VAL 4 -5.001 4.554 3.358
37 HG21 VAL 4 HG21 VAL 4 -7.072 4.827 2.283
38 HG22 VAL 4 HG22 VAL 4 -7.431 4.049 0.741
39 HG23 VAL 4 HG23 VAL 4 -6.370 5.457 0.796
40 H ARG 5 HN ARG 5 -5.089 0.830 0.011
41 HA ARG 5 HA ARG 5 -2.610 0.017 1.161
42 HB2 ARG 5 HB2 ARG 5 -4.493 -1.588 -0.580
43 HB3 ARG 5 HB1 ARG 5 -3.212 -2.237 0.429
44 HG2 ARG 5 HG2 ARG 5 -5.714 -0.854 1.356
45 HG3 ARG 5 HG1 ARG 5 -5.318 -2.567 1.514
46 HD2 ARG 5 HD2 ARG 5 -3.882 -0.265 2.822
47 HD3 ARG 5 HD1 ARG 5 -4.955 -1.411 3.619
48 HE ARG 5 HE ARG 5 -2.975 -2.935 2.465
49 HH11 ARG 5 HH11 ARG 5 -3.139 -0.349 4.817
50 HH12 ARG 5 HH12 ARG 5 -1.707 -0.848 5.660
51 HH21 ARG 5 HH21 ARG 5 -1.083 -3.597 3.559
52 HH22 ARG 5 HH22 ARG 5 -0.523 -2.695 4.934
53 H ILE 6 HN ILE 6 -3.547 1.053 -1.953
54 HA ILE 6 HA ILE 6 -1.469 -0.175 -3.479
55 HB ILE 6 HB ILE 6 -3.297 2.179 -3.930
56 HG12 ILE 6 HG12 ILE 6 -4.262 0.897 -5.656
57 HG13 ILE 6 HG11 ILE 6 -2.883 -0.195 -5.738
58 HG21 ILE 6 HG21 ILE 6 -2.312 2.513 -6.157
59 HG22 ILE 6 HG22 ILE 6 -1.021 1.388 -5.734
60 HG23 ILE 6 HG23 ILE 6 -1.191 2.905 -4.854
61 HD11 ILE 6 HD11 ILE 6 -4.954 -1.163 -4.758
62 HD12 ILE 6 HD12 ILE 6 -4.765 -0.052 -3.400
63 HD13 ILE 6 HD13 ILE 6 -3.534 -1.268 -3.720
64 H ILE 7 HN ILE 7 -1.791 2.837 -1.663
65 HA ILE 7 HA ILE 7 0.770 3.890 -2.260
66 HB ILE 7 HB ILE 7 -1.127 4.288 0.048
67 HG12 ILE 7 HG12 ILE 7 -1.057 6.656 -0.826
68 HG13 ILE 7 HG11 ILE 7 -0.099 6.057 -2.172
69 HG21 ILE 7 HG21 ILE 7 0.365 6.003 0.959
70 HG22 ILE 7 HG22 ILE 7 1.602 5.539 -0.209
71 HG23 ILE 7 HG23 ILE 7 1.086 4.396 1.031
72 HD11 ILE 7 HD11 ILE 7 -2.420 6.303 -2.800
73 HD12 ILE 7 HD12 ILE 7 -2.907 5.229 -1.489
74 HD13 ILE 7 HD13 ILE 7 -1.950 4.603 -2.830
75 H ARG 8 HN ARG 8 -0.445 1.702 0.220
76 HA ARG 8 HA ARG 8 2.059 1.308 1.506
77 HB2 ARG 8 HB2 ARG 8 -0.362 -0.502 1.442
78 HB3 ARG 8 HB1 ARG 8 0.976 -0.609 2.581
79 HG2 ARG 8 HG2 ARG 8 -0.925 1.712 2.311
80 HG3 ARG 8 HG1 ARG 8 -0.964 0.481 3.573
81 HD2 ARG 8 HD2 ARG 8 1.173 1.197 4.417
82 HD3 ARG 8 HD1 ARG 8 1.390 2.297 3.057
83 HE ARG 8 HE ARG 8 -0.905 2.749 4.799
84 HH11 ARG 8 HH11 ARG 8 2.336 3.685 3.837
85 HH12 ARG 8 HH12 ARG 8 2.241 5.249 4.577
86 HH21 ARG 8 HH21 ARG 8 -1.033 4.815 5.758
87 HH22 ARG 8 HH22 ARG 8 0.321 5.898 5.657
88 H LYS 9 HN LYS 9 0.625 0.088 -1.368
89 HA LYS 9 HA LYS 9 2.201 -2.226 -1.754
90 HB2 LYS 9 HB2 LYS 9 0.124 -1.529 -3.028
91 HB3 LYS 9 HB1 LYS 9 1.154 -0.407 -3.909
92 HG2 LYS 9 HG2 LYS 9 0.832 -2.426 -5.165
93 HG3 LYS 9 HG1 LYS 9 2.518 -2.282 -4.684
94 HD2 LYS 9 HD2 LYS 9 2.188 -3.862 -2.903
95 HD3 LYS 9 HD1 LYS 9 0.450 -3.910 -3.226
96 HE2 LYS 9 HE2 LYS 9 0.833 -4.915 -5.386
97 HE3 LYS 9 HE1 LYS 9 2.576 -4.745 -5.199
98 HZ1 LYS 9 HZ1 LYS 9 0.833 -6.439 -3.494
99 HZ2 LYS 9 HZ2 LYS 9 2.515 -6.304 -3.376
100 HZ3 LYS 9 HZ3 LYS 9 1.818 -7.001 -4.748
101 H PHE 10 HN PHE 10 2.603 1.168 -2.533
102 HA PHE 10 HA PHE 10 5.071 0.975 -3.905
103 HB2 PHE 10 HB2 PHE 10 3.992 3.289 -2.271
104 HB3 PHE 10 HB1 PHE 10 5.255 3.384 -3.495
105 HD1 PHE 10 HD1 PHE 10 2.825 5.074 -3.452
106 HD2 PHE 10 HD2 PHE 10 3.551 1.297 -5.252
107 HE1 PHE 10 HE1 PHE 10 1.107 5.563 -5.148
108 HE2 PHE 10 HE2 PHE 10 1.841 1.772 -6.960
109 HZ PHE 10 HZ PHE 10 0.615 3.909 -6.907
110 H ILE 11 HN ILE 11 4.130 1.138 -0.592
111 HA ILE 11 HA ILE 11 6.796 1.518 0.438
112 HB ILE 11 HB ILE 11 4.123 1.075 1.738
113 HG12 ILE 11 HG12 ILE 11 4.447 3.247 2.632
114 HG13 ILE 11 HG11 ILE 11 6.172 3.219 2.293
115 HG21 ILE 11 HG21 ILE 11 5.241 1.160 3.930
116 HG22 ILE 11 HG22 ILE 11 6.802 1.055 3.106
117 HG23 ILE 11 HG23 ILE 11 5.663 -0.290 3.016
118 HD11 ILE 11 HD11 ILE 11 5.134 4.706 0.760
119 HD12 ILE 11 HD12 ILE 11 3.930 3.490 0.320
120 HD13 ILE 11 HD13 ILE 11 5.623 3.254 -0.126
121 H LYS 12 HN LYS 12 4.726 -1.136 -0.358
122 HA LYS 12 HA LYS 12 6.429 -3.112 0.860
123 HB2 LYS 12 HB2 LYS 12 4.319 -3.329 -1.289
124 HB3 LYS 12 HB1 LYS 12 5.216 -4.707 -0.665
125 HG2 LYS 12 HG2 LYS 12 4.364 -4.143 1.607
126 HG3 LYS 12 HG1 LYS 12 3.345 -2.913 0.858
127 HD2 LYS 12 HD2 LYS 12 2.076 -4.948 1.220
128 HD3 LYS 12 HD1 LYS 12 2.279 -4.655 -0.508
129 HE2 LYS 12 HE2 LYS 12 4.039 -6.291 -0.631
130 HE3 LYS 12 HE1 LYS 12 4.018 -6.500 1.119
131 HZ1 LYS 12 HZ1 LYS 12 2.848 -8.267 -0.114
132 HZ2 LYS 12 HZ2 LYS 12 1.729 -7.123 -0.661
133 HZ3 LYS 12 HZ3 LYS 12 1.856 -7.463 0.990
134 H GLY 13 HN GLY 13 6.512 -1.150 -1.899
135 HA2 GLY 13 HA2 GLY 13 8.598 -2.702 -3.202
136 HA3 GLY 13 HA1 GLY 13 7.950 -1.154 -3.740
137 H PHE 14 HN PHE 14 8.265 -0.100 -0.934
138 HA PHE 14 HA PHE 14 10.666 1.221 -1.001
139 HB2 PHE 14 HB2 PHE 14 8.573 0.901 0.819
140 HB3 PHE 14 HB1 PHE 14 10.008 0.413 1.708
141 HD1 PHE 14 HD1 PHE 14 12.078 2.093 1.227
142 HD2 PHE 14 HD2 PHE 14 7.939 3.041 1.075
143 HE1 PHE 14 HE1 PHE 14 12.615 4.459 1.662
144 HE2 PHE 14 HE2 PHE 14 8.460 5.415 1.500
145 HZ PHE 14 HZ PHE 14 10.803 6.122 1.795
146 H ILE 15 HN ILE 15 10.072 -1.432 1.229
147 HA ILE 15 HA ILE 15 11.399 -2.879 2.329
148 HB ILE 15 HB ILE 15 12.663 -4.457 1.008
149 HG12 ILE 15 HG12 ILE 15 12.256 -2.577 -1.330
150 HG13 ILE 15 HG11 ILE 15 13.792 -2.890 -0.530
151 HG21 ILE 15 HG21 ILE 15 10.889 -5.167 -0.530
152 HG22 ILE 15 HG22 ILE 15 10.120 -3.589 -0.351
153 HG23 ILE 15 HG23 ILE 15 10.256 -4.666 1.039
154 HD11 ILE 15 HD11 ILE 15 13.608 -4.116 -2.619
155 HD12 ILE 15 HD12 ILE 15 12.145 -4.908 -2.037
156 HD13 ILE 15 HD13 ILE 15 13.689 -5.220 -1.246
157 H SER 16 HN SER 16 13.959 -3.774 2.125
158 HA SER 16 HA SER 16 15.727 -1.474 2.139
159 HB2 SER 16 HB2 SER 16 15.282 -3.159 4.621
160 HB3 SER 16 HB1 SER 16 16.499 -1.894 4.442
161 HG SER 16 HG SER 16 14.144 -0.875 3.742
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 -11.261 1.419 2.102
2 H2 LYS 1 HT2 LYS 1 -11.839 1.616 0.524
3 H3 LYS 1 HT3 LYS 1 -12.129 2.806 1.683
4 HA LYS 1 HA LYS 1 -10.377 3.447 0.141
5 HB2 LYS 1 HB2 LYS 1 -9.468 2.937 2.983
6 HB3 LYS 1 HB1 LYS 1 -8.709 4.058 1.864
7 HG2 LYS 1 HG2 LYS 1 -10.756 5.387 1.793
8 HG3 LYS 1 HG1 LYS 1 -11.525 4.258 2.910
9 HD2 LYS 1 HD2 LYS 1 -9.829 4.788 4.602
10 HD3 LYS 1 HD1 LYS 1 -9.079 5.927 3.482
11 HE2 LYS 1 HE2 LYS 1 -11.150 7.238 3.440
12 HE3 LYS 1 HE1 LYS 1 -11.886 6.104 4.572
13 HZ1 LYS 1 HZ1 LYS 1 -10.226 6.708 6.212
14 HZ2 LYS 1 HZ2 LYS 1 -11.058 8.081 5.688
15 HZ3 LYS 1 HZ3 LYS 1 -9.494 7.777 5.122
16 H TRP 2 HN TRP 2 -10.270 1.212 -1.018
17 HA TRP 2 HA TRP 2 -8.328 -0.616 -0.008
18 HB2 TRP 2 HB2 TRP 2 -9.861 -0.580 -2.601
19 HB3 TRP 2 HB1 TRP 2 -8.789 -1.887 -2.105
20 HD1 TRP 2 HD1 TRP 2 -12.319 -0.952 -1.995
21 HE1 TRP 2 HE1 TRP 2 -13.605 -2.359 -0.261
22 HE3 TRP 2 HE3 TRP 2 -8.350 -2.930 0.549
23 HZ2 TRP 2 HZ2 TRP 2 -12.995 -4.083 1.908
24 HZ3 TRP 2 HZ3 TRP 2 -8.800 -4.444 2.440
25 HH2 TRP 2 HH2 TRP 2 -11.084 -4.993 3.087
26 H ALA 3 HN ALA 3 -8.372 1.818 -2.553
27 HA ALA 3 HA ALA 3 -5.869 1.016 -3.655
28 HB1 ALA 3 HB1 ALA 3 -7.606 2.370 -4.862
29 HB2 ALA 3 HB2 ALA 3 -5.946 2.945 -5.000
30 HB3 ALA 3 HB3 ALA 3 -7.074 3.756 -3.908
31 H VAL 4 HN VAL 4 -6.677 2.562 -0.771
32 HA VAL 4 HA VAL 4 -4.366 4.195 -0.495
33 HB VAL 4 HB VAL 4 -6.261 3.026 1.551
34 HG11 VAL 4 HG11 VAL 4 -4.151 3.468 2.612
35 HG12 VAL 4 HG12 VAL 4 -5.325 4.696 3.087
36 HG13 VAL 4 HG13 VAL 4 -4.091 5.073 1.887
37 HG21 VAL 4 HG21 VAL 4 -6.019 5.766 0.329
38 HG22 VAL 4 HG22 VAL 4 -7.082 5.352 1.672
39 HG23 VAL 4 HG23 VAL 4 -7.333 4.612 0.087
40 H ARG 5 HN ARG 5 -5.154 0.851 -0.008
41 HA ARG 5 HA ARG 5 -2.793 0.132 1.434
42 HB2 ARG 5 HB2 ARG 5 -4.927 -1.211 1.358
43 HB3 ARG 5 HB1 ARG 5 -4.538 -1.633 -0.302
44 HG2 ARG 5 HG2 ARG 5 -3.916 -3.442 1.134
45 HG3 ARG 5 HG1 ARG 5 -2.451 -2.692 0.499
46 HD2 ARG 5 HD2 ARG 5 -2.159 -1.469 2.587
47 HD3 ARG 5 HD1 ARG 5 -3.648 -2.170 3.218
48 HE ARG 5 HE ARG 5 -1.797 -4.183 2.418
49 HH11 ARG 5 HH11 ARG 5 -2.529 -1.917 4.985
50 HH12 ARG 5 HH12 ARG 5 -1.749 -2.854 6.216
51 HH21 ARG 5 HH21 ARG 5 -0.766 -5.429 4.045
52 HH22 ARG 5 HH22 ARG 5 -0.740 -4.850 5.682
53 H ILE 6 HN ILE 6 -3.610 0.747 -1.835
54 HA ILE 6 HA ILE 6 -1.442 -0.552 -3.139
55 HB ILE 6 HB ILE 6 -3.316 1.691 -3.894
56 HG12 ILE 6 HG12 ILE 6 -4.229 0.209 -5.474
57 HG13 ILE 6 HG11 ILE 6 -2.833 -0.865 -5.417
58 HG21 ILE 6 HG21 ILE 6 -2.299 1.775 -6.131
59 HG22 ILE 6 HG22 ILE 6 -0.994 0.738 -5.557
60 HG23 ILE 6 HG23 ILE 6 -1.211 2.346 -4.866
61 HD11 ILE 6 HD11 ILE 6 -4.831 -0.504 -3.195
62 HD12 ILE 6 HD12 ILE 6 -3.500 -1.659 -3.239
63 HD13 ILE 6 HD13 ILE 6 -4.841 -1.813 -4.373
64 H ILE 7 HN ILE 7 -1.926 2.709 -1.800
65 HA ILE 7 HA ILE 7 0.612 3.751 -2.426
66 HB ILE 7 HB ILE 7 -1.355 4.369 -0.233
67 HG12 ILE 7 HG12 ILE 7 -1.341 6.606 -1.379
68 HG13 ILE 7 HG11 ILE 7 -0.274 5.918 -2.596
69 HG21 ILE 7 HG21 ILE 7 0.836 4.654 0.788
70 HG22 ILE 7 HG22 ILE 7 0.057 6.213 0.526
71 HG23 ILE 7 HG23 ILE 7 1.342 5.678 -0.556
72 HD11 ILE 7 HD11 ILE 7 -2.014 4.304 -3.186
73 HD12 ILE 7 HD12 ILE 7 -2.553 5.973 -3.383
74 HD13 ILE 7 HD13 ILE 7 -3.080 5.033 -1.986
75 H ARG 8 HN ARG 8 -0.553 1.830 0.288
76 HA ARG 8 HA ARG 8 1.910 1.746 1.702
77 HB2 ARG 8 HB2 ARG 8 -0.317 -0.295 1.739
78 HB3 ARG 8 HB1 ARG 8 0.934 -0.087 2.957
79 HG2 ARG 8 HG2 ARG 8 -1.251 1.869 2.280
80 HG3 ARG 8 HG1 ARG 8 -1.146 0.861 3.720
81 HD2 ARG 8 HD2 ARG 8 0.880 2.029 4.406
82 HD3 ARG 8 HD1 ARG 8 0.813 3.018 2.948
83 HE ARG 8 HE ARG 8 -1.558 3.140 4.580
84 HH11 ARG 8 HH11 ARG 8 1.619 4.507 4.046
85 HH12 ARG 8 HH12 ARG 8 1.212 6.042 4.735
86 HH21 ARG 8 HH21 ARG 8 -2.091 5.145 5.502
87 HH22 ARG 8 HH22 ARG 8 -0.896 6.400 5.582
88 H LYS 9 HN LYS 9 0.745 0.145 -1.105
89 HA LYS 9 HA LYS 9 2.497 -2.106 -1.038
90 HB2 LYS 9 HB2 LYS 9 0.357 -1.745 -2.454
91 HB3 LYS 9 HB1 LYS 9 1.431 -0.895 -3.566
92 HG2 LYS 9 HG2 LYS 9 1.176 -3.155 -4.272
93 HG3 LYS 9 HG1 LYS 9 2.823 -2.926 -3.685
94 HD2 LYS 9 HD2 LYS 9 2.186 -3.901 -1.538
95 HD3 LYS 9 HD1 LYS 9 0.538 -4.129 -2.136
96 HE2 LYS 9 HE2 LYS 9 3.003 -5.348 -3.353
97 HE3 LYS 9 HE1 LYS 9 1.926 -6.180 -2.234
98 HZ1 LYS 9 HZ1 LYS 9 1.165 -5.107 -4.896
99 HZ2 LYS 9 HZ2 LYS 9 0.133 -5.914 -3.826
100 HZ3 LYS 9 HZ3 LYS 9 1.431 -6.737 -4.529
101 H PHE 10 HN PHE 10 2.629 1.146 -2.277
102 HA PHE 10 HA PHE 10 5.121 0.914 -3.633
103 HB2 PHE 10 HB2 PHE 10 3.842 3.362 -2.409
104 HB3 PHE 10 HB1 PHE 10 5.104 3.353 -3.637
105 HD1 PHE 10 HD1 PHE 10 2.441 4.753 -3.799
106 HD2 PHE 10 HD2 PHE 10 3.701 0.905 -5.082
107 HE1 PHE 10 HE1 PHE 10 0.712 4.776 -5.547
108 HE2 PHE 10 HE2 PHE 10 1.985 0.923 -6.847
109 HZ PHE 10 HZ PHE 10 0.485 2.862 -7.076
110 H ILE 11 HN ILE 11 4.102 1.525 -0.404
111 HA ILE 11 HA ILE 11 6.674 2.204 0.659
112 HB ILE 11 HB ILE 11 4.040 1.466 1.886
113 HG12 ILE 11 HG12 ILE 11 4.077 3.670 2.734
114 HG13 ILE 11 HG11 ILE 11 5.812 3.828 2.486
115 HG21 ILE 11 HG21 ILE 11 6.663 1.701 3.332
116 HG22 ILE 11 HG22 ILE 11 5.614 0.283 3.256
117 HG23 ILE 11 HG23 ILE 11 5.082 1.728 4.118
118 HD11 ILE 11 HD11 ILE 11 3.669 3.795 0.386
119 HD12 ILE 11 HD12 ILE 11 5.402 3.751 0.043
120 HD13 ILE 11 HD13 ILE 11 4.692 5.155 0.860
121 H LYS 12 HN LYS 12 4.829 -0.716 0.184
122 HA LYS 12 HA LYS 12 6.819 -2.425 1.355
123 HB2 LYS 12 HB2 LYS 12 4.538 -2.986 -0.541
124 HB3 LYS 12 HB1 LYS 12 5.615 -4.237 0.073
125 HG2 LYS 12 HG2 LYS 12 4.961 -3.666 2.360
126 HG3 LYS 12 HG1 LYS 12 3.861 -2.439 1.731
127 HD2 LYS 12 HD2 LYS 12 2.562 -4.137 0.601
128 HD3 LYS 12 HD1 LYS 12 3.702 -5.386 1.114
129 HE2 LYS 12 HE2 LYS 12 1.705 -5.354 2.529
130 HE3 LYS 12 HE1 LYS 12 3.162 -4.954 3.437
131 HZ1 LYS 12 HZ1 LYS 12 1.183 -2.998 2.402
132 HZ2 LYS 12 HZ2 LYS 12 2.582 -2.617 3.270
133 HZ3 LYS 12 HZ3 LYS 12 1.341 -3.484 4.014
134 H GLY 13 HN GLY 13 6.554 -0.636 -1.475
135 HA2 GLY 13 HA2 GLY 13 8.503 -2.096 -3.008
136 HA3 GLY 13 HA1 GLY 13 7.918 -0.462 -3.329
137 H PHE 14 HN PHE 14 8.511 0.817 -0.914
138 HA PHE 14 HA PHE 14 11.248 1.310 -0.992
139 HB2 PHE 14 HB2 PHE 14 9.227 1.672 1.221
140 HB3 PHE 14 HB1 PHE 14 10.817 2.368 1.200
141 HD1 PHE 14 HD1 PHE 14 10.995 3.262 -1.629
142 HD2 PHE 14 HD2 PHE 14 7.854 3.486 1.221
143 HE1 PHE 14 HE1 PHE 14 10.106 5.246 -2.783
144 HE2 PHE 14 HE2 PHE 14 6.945 5.471 0.068
145 HZ PHE 14 HZ PHE 14 8.073 6.352 -1.936
146 H ILE 15 HN ILE 15 9.383 -0.311 1.556
147 HA ILE 15 HA ILE 15 11.770 -1.903 2.202
148 HB ILE 15 HB ILE 15 10.482 -2.457 4.332
149 HG12 ILE 15 HG12 ILE 15 8.871 -0.063 3.413
150 HG13 ILE 15 HG11 ILE 15 8.267 -1.707 3.591
151 HG21 ILE 15 HG21 ILE 15 11.366 0.378 3.830
152 HG22 ILE 15 HG22 ILE 15 12.403 -0.976 4.283
153 HG23 ILE 15 HG23 ILE 15 11.189 -0.375 5.414
154 HD11 ILE 15 HD11 ILE 15 9.292 0.036 5.819
155 HD12 ILE 15 HD12 ILE 15 8.643 -1.594 5.987
156 HD13 ILE 15 HD13 ILE 15 7.598 -0.281 5.447
157 H SER 16 HN SER 16 11.639 -3.539 0.744
158 HA SER 16 HA SER 16 9.193 -5.113 0.587
159 HB2 SER 16 HB2 SER 16 11.812 -5.451 -0.899
160 HB3 SER 16 HB1 SER 16 10.296 -6.283 -1.251
161 HG SER 16 HG SER 16 9.608 -3.816 -1.303
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 -11.696 2.313 -0.297
2 H2 LYS 1 HT2 LYS 1 -12.298 3.141 1.044
3 H3 LYS 1 HT3 LYS 1 -11.866 1.515 1.182
4 HA LYS 1 HA LYS 1 -9.993 3.719 0.570
5 HB2 LYS 1 HB2 LYS 1 -10.447 2.199 3.141
6 HB3 LYS 1 HB1 LYS 1 -9.127 3.324 2.860
7 HG2 LYS 1 HG2 LYS 1 -10.711 5.146 2.590
8 HG3 LYS 1 HG1 LYS 1 -12.054 4.028 2.811
9 HD2 LYS 1 HD2 LYS 1 -9.924 4.671 4.850
10 HD3 LYS 1 HD1 LYS 1 -11.586 5.260 4.866
11 HE2 LYS 1 HE2 LYS 1 -10.718 2.380 5.093
12 HE3 LYS 1 HE1 LYS 1 -11.300 3.394 6.409
13 HZ1 LYS 1 HZ1 LYS 1 -13.058 1.983 5.618
14 HZ2 LYS 1 HZ2 LYS 1 -12.862 2.533 4.032
15 HZ3 LYS 1 HZ3 LYS 1 -13.426 3.585 5.229
16 H TRP 2 HN TRP 2 -10.354 1.148 -0.821
17 HA TRP 2 HA TRP 2 -8.332 -0.602 0.186
18 HB2 TRP 2 HB2 TRP 2 -9.869 -0.695 -2.411
19 HB3 TRP 2 HB1 TRP 2 -8.834 -1.979 -1.796
20 HD1 TRP 2 HD1 TRP 2 -9.754 -2.321 1.116
21 HE1 TRP 2 HE1 TRP 2 -12.136 -3.113 1.695
22 HE3 TRP 2 HE3 TRP 2 -12.114 -1.064 -3.242
23 HZ2 TRP 2 HZ2 TRP 2 -14.673 -3.195 0.452
24 HZ3 TRP 2 HZ3 TRP 2 -14.520 -1.545 -3.453
25 HH2 TRP 2 HH2 TRP 2 -15.754 -2.592 -1.628
26 H ALA 3 HN ALA 3 -8.485 1.983 -2.123
27 HA ALA 3 HA ALA 3 -6.085 1.211 -3.493
28 HB1 ALA 3 HB1 ALA 3 -7.321 3.946 -3.520
29 HB2 ALA 3 HB2 ALA 3 -7.901 2.608 -4.512
30 HB3 ALA 3 HB3 ALA 3 -6.255 3.214 -4.723
31 H VAL 4 HN VAL 4 -6.710 2.595 -0.489
32 HA VAL 4 HA VAL 4 -4.432 4.243 -0.218
33 HB VAL 4 HB VAL 4 -5.894 2.716 1.944
34 HG11 VAL 4 HG11 VAL 4 -5.124 4.519 3.382
35 HG12 VAL 4 HG12 VAL 4 -4.250 5.220 2.022
36 HG13 VAL 4 HG13 VAL 4 -3.778 3.643 2.653
37 HG21 VAL 4 HG21 VAL 4 -7.477 4.028 0.649
38 HG22 VAL 4 HG22 VAL 4 -6.451 5.454 0.829
39 HG23 VAL 4 HG23 VAL 4 -7.224 4.742 2.243
40 H ARG 5 HN ARG 5 -5.083 0.839 0.076
41 HA ARG 5 HA ARG 5 -2.578 0.112 1.230
42 HB2 ARG 5 HB2 ARG 5 -4.512 -1.583 -0.365
43 HB3 ARG 5 HB1 ARG 5 -3.211 -2.181 0.657
44 HG2 ARG 5 HG2 ARG 5 -5.589 -0.600 1.620
45 HG3 ARG 5 HG1 ARG 5 -5.402 -2.350 1.740
46 HD2 ARG 5 HD2 ARG 5 -3.612 -2.157 3.263
47 HD3 ARG 5 HD1 ARG 5 -3.407 -0.440 2.923
48 HE ARG 5 HE ARG 5 -5.915 -0.552 3.910
49 HH11 ARG 5 HH11 ARG 5 -2.869 -1.811 5.083
50 HH12 ARG 5 HH12 ARG 5 -3.284 -1.610 6.756
51 HH21 ARG 5 HH21 ARG 5 -6.464 -0.280 6.106
52 HH22 ARG 5 HH22 ARG 5 -5.330 -0.750 7.335
53 H ILE 6 HN ILE 6 -3.636 0.975 -1.896
54 HA ILE 6 HA ILE 6 -1.538 -0.206 -3.428
55 HB ILE 6 HB ILE 6 -3.469 2.061 -3.877
56 HG12 ILE 6 HG12 ILE 6 -4.379 0.730 -5.593
57 HG13 ILE 6 HG11 ILE 6 -2.951 -0.297 -5.683
58 HG21 ILE 6 HG21 ILE 6 -1.380 2.869 -4.811
59 HG22 ILE 6 HG22 ILE 6 -2.527 2.476 -6.093
60 HG23 ILE 6 HG23 ILE 6 -1.196 1.376 -5.731
61 HD11 ILE 6 HD11 ILE 6 -4.898 -0.237 -3.388
62 HD12 ILE 6 HD12 ILE 6 -3.533 -1.332 -3.581
63 HD13 ILE 6 HD13 ILE 6 -4.897 -1.419 -4.695
64 H ILE 7 HN ILE 7 -1.914 2.833 -1.643
65 HA ILE 7 HA ILE 7 0.633 3.877 -2.342
66 HB ILE 7 HB ILE 7 -1.224 4.440 -0.035
67 HG12 ILE 7 HG12 ILE 7 -1.134 6.745 -1.159
68 HG13 ILE 7 HG11 ILE 7 -0.328 5.933 -2.496
69 HG21 ILE 7 HG21 ILE 7 1.034 4.672 0.845
70 HG22 ILE 7 HG22 ILE 7 0.267 6.250 0.670
71 HG23 ILE 7 HG23 ILE 7 1.468 5.718 -0.507
72 HD11 ILE 7 HD11 ILE 7 -2.682 6.195 -2.950
73 HD12 ILE 7 HD12 ILE 7 -3.088 5.344 -1.461
74 HD13 ILE 7 HD13 ILE 7 -2.283 4.486 -2.775
75 H ARG 8 HN ARG 8 -0.549 1.730 0.166
76 HA ARG 8 HA ARG 8 1.914 1.408 1.532
77 HB2 ARG 8 HB2 ARG 8 -0.429 -0.493 1.310
78 HB3 ARG 8 HB1 ARG 8 0.893 -0.641 2.460
79 HG2 ARG 8 HG2 ARG 8 -1.039 1.662 2.323
80 HG3 ARG 8 HG1 ARG 8 -1.127 0.316 3.459
81 HD2 ARG 8 HD2 ARG 8 0.993 0.941 4.428
82 HD3 ARG 8 HD1 ARG 8 1.201 2.214 3.227
83 HE ARG 8 HE ARG 8 -1.196 2.717 4.518
84 HH11 ARG 8 HH11 ARG 8 2.175 2.457 5.407
85 HH12 ARG 8 HH12 ARG 8 2.076 3.654 6.658
86 HH21 ARG 8 HH21 ARG 8 -1.350 4.270 6.175
87 HH22 ARG 8 HH22 ARG 8 0.056 4.678 7.104
88 H LYS 9 HN LYS 9 0.610 0.125 -1.398
89 HA LYS 9 HA LYS 9 2.229 -2.129 -1.769
90 HB2 LYS 9 HB2 LYS 9 0.264 -1.376 -3.175
91 HB3 LYS 9 HB1 LYS 9 1.361 -0.228 -3.937
92 HG2 LYS 9 HG2 LYS 9 1.104 -2.245 -5.258
93 HG3 LYS 9 HG1 LYS 9 2.765 -2.066 -4.696
94 HD2 LYS 9 HD2 LYS 9 2.394 -3.669 -2.947
95 HD3 LYS 9 HD1 LYS 9 0.673 -3.760 -3.348
96 HE2 LYS 9 HE2 LYS 9 1.262 -4.656 -5.567
97 HE3 LYS 9 HE1 LYS 9 2.967 -4.607 -5.121
98 HZ1 LYS 9 HZ1 LYS 9 0.881 -6.218 -3.753
99 HZ2 LYS 9 HZ2 LYS 9 2.526 -6.196 -3.367
100 HZ3 LYS 9 HZ3 LYS 9 2.017 -6.816 -4.852
101 H PHE 10 HN PHE 10 2.680 1.241 -2.687
102 HA PHE 10 HA PHE 10 5.271 1.064 -3.736
103 HB2 PHE 10 HB2 PHE 10 3.822 3.302 -2.331
104 HB3 PHE 10 HB1 PHE 10 5.408 3.500 -3.069
105 HD1 PHE 10 HD1 PHE 10 5.677 3.484 -5.450
106 HD2 PHE 10 HD2 PHE 10 1.837 2.993 -3.701
107 HE1 PHE 10 HE1 PHE 10 4.633 3.940 -7.632
108 HE2 PHE 10 HE2 PHE 10 0.783 3.447 -5.874
109 HZ PHE 10 HZ PHE 10 2.179 3.921 -7.846
110 H ILE 11 HN ILE 11 4.093 1.333 -0.452
111 HA ILE 11 HA ILE 11 6.608 1.781 0.789
112 HB ILE 11 HB ILE 11 3.908 0.984 1.786
113 HG12 ILE 11 HG12 ILE 11 3.933 3.065 2.827
114 HG13 ILE 11 HG11 ILE 11 5.691 3.117 2.910
115 HG21 ILE 11 HG21 ILE 11 5.341 -0.460 3.056
116 HG22 ILE 11 HG22 ILE 11 4.851 0.886 4.087
117 HG23 ILE 11 HG23 ILE 11 6.462 0.864 3.365
118 HD11 ILE 11 HD11 ILE 11 4.801 4.738 1.321
119 HD12 ILE 11 HD12 ILE 11 4.052 3.416 0.414
120 HD13 ILE 11 HD13 ILE 11 5.811 3.518 0.530
121 H LYS 12 HN LYS 12 4.785 -1.048 -0.117
122 HA LYS 12 HA LYS 12 6.349 -2.957 1.257
123 HB2 LYS 12 HB2 LYS 12 4.782 -3.234 -1.311
124 HB3 LYS 12 HB1 LYS 12 5.493 -4.582 -0.437
125 HG2 LYS 12 HG2 LYS 12 4.104 -4.025 1.514
126 HG3 LYS 12 HG1 LYS 12 3.366 -2.718 0.592
127 HD2 LYS 12 HD2 LYS 12 1.820 -4.383 0.281
128 HD3 LYS 12 HD1 LYS 12 2.853 -4.629 -1.125
129 HE2 LYS 12 HE2 LYS 12 3.144 -6.125 1.473
130 HE3 LYS 12 HE1 LYS 12 2.228 -6.721 0.093
131 HZ1 LYS 12 HZ1 LYS 12 4.295 -6.595 -1.219
132 HZ2 LYS 12 HZ2 LYS 12 4.402 -7.679 0.071
133 HZ3 LYS 12 HZ3 LYS 12 5.143 -6.165 0.180
134 H GLY 13 HN GLY 13 6.842 -1.220 -1.719
135 HA2 GLY 13 HA2 GLY 13 9.194 -2.804 -2.394
136 HA3 GLY 13 HA1 GLY 13 8.537 -1.460 -3.324
137 H PHE 14 HN PHE 14 8.394 0.249 -0.870
138 HA PHE 14 HA PHE 14 10.954 1.434 -1.133
139 HB2 PHE 14 HB2 PHE 14 9.332 2.970 -0.754
140 HB3 PHE 14 HB1 PHE 14 8.400 1.912 0.264
141 HD1 PHE 14 HD1 PHE 14 11.640 3.748 0.325
142 HD2 PHE 14 HD2 PHE 14 8.193 2.413 2.390
143 HE1 PHE 14 HE1 PHE 14 12.394 4.974 2.332
144 HE2 PHE 14 HE2 PHE 14 8.924 3.627 4.423
145 HZ PHE 14 HZ PHE 14 11.032 4.911 4.388
146 H ILE 15 HN ILE 15 9.294 -0.171 1.542
147 HA ILE 15 HA ILE 15 11.643 -0.263 3.192
148 HB ILE 15 HB ILE 15 10.390 -1.679 4.705
149 HG12 ILE 15 HG12 ILE 15 8.294 -1.788 2.522
150 HG13 ILE 15 HG11 ILE 15 9.289 -3.132 3.072
151 HG21 ILE 15 HG21 ILE 15 8.489 -0.200 5.167
152 HG22 ILE 15 HG22 ILE 15 8.693 0.540 3.579
153 HG23 ILE 15 HG23 ILE 15 9.958 0.702 4.797
154 HD11 ILE 15 HD11 ILE 15 8.226 -2.973 5.284
155 HD12 ILE 15 HD12 ILE 15 7.075 -3.310 3.991
156 HD13 ILE 15 HD13 ILE 15 7.189 -1.686 4.667
157 H SER 16 HN SER 16 12.742 -2.203 3.879
158 HA SER 16 HA SER 16 12.868 -4.228 1.755
159 HB2 SER 16 HB2 SER 16 14.961 -3.437 3.797
160 HB3 SER 16 HB1 SER 16 15.152 -4.705 2.586
161 HG SER 16 HG SER 16 15.299 -1.968 2.323
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 -11.990 2.741 -0.747
2 H2 LYS 1 HT2 LYS 1 -10.849 3.865 -1.285
3 H3 LYS 1 HT3 LYS 1 -12.121 4.364 -0.291
4 HA LYS 1 HA LYS 1 -10.069 4.227 0.931
5 HB2 LYS 1 HB2 LYS 1 -10.869 2.779 2.764
6 HB3 LYS 1 HB1 LYS 1 -12.119 3.847 2.147
7 HG2 LYS 1 HG2 LYS 1 -13.101 2.011 0.896
8 HG3 LYS 1 HG1 LYS 1 -11.821 0.933 1.456
9 HD2 LYS 1 HD2 LYS 1 -12.549 1.257 3.767
10 HD3 LYS 1 HD1 LYS 1 -13.809 2.364 3.222
11 HE2 LYS 1 HE2 LYS 1 -14.743 0.168 3.659
12 HE3 LYS 1 HE1 LYS 1 -14.837 0.546 1.940
13 HZ1 LYS 1 HZ1 LYS 1 -12.928 -0.843 1.538
14 HZ2 LYS 1 HZ2 LYS 1 -14.100 -1.735 2.365
15 HZ3 LYS 1 HZ3 LYS 1 -12.746 -1.150 3.190
16 H TRP 2 HN TRP 2 -10.597 1.534 -1.155
17 HA TRP 2 HA TRP 2 -8.669 -0.143 0.147
18 HB2 TRP 2 HB2 TRP 2 -9.008 -1.707 -1.703
19 HB3 TRP 2 HB1 TRP 2 -10.540 -1.193 -1.016
20 HD1 TRP 2 HD1 TRP 2 -12.230 0.042 -2.602
21 HE1 TRP 2 HE1 TRP 2 -12.275 0.504 -5.134
22 HE3 TRP 2 HE3 TRP 2 -7.386 -1.154 -3.738
23 HZ2 TRP 2 HZ2 TRP 2 -10.480 0.378 -7.320
24 HZ3 TRP 2 HZ3 TRP 2 -6.649 -0.952 -6.077
25 HH2 TRP 2 HH2 TRP 2 -8.182 -0.200 -7.816
26 H ALA 3 HN ALA 3 -8.556 2.399 -2.096
27 HA ALA 3 HA ALA 3 -6.274 1.567 -3.573
28 HB1 ALA 3 HB1 ALA 3 -6.185 3.811 -4.419
29 HB2 ALA 3 HB2 ALA 3 -7.253 4.380 -3.139
30 HB3 ALA 3 HB3 ALA 3 -7.864 3.278 -4.374
31 H VAL 4 HN VAL 4 -6.678 2.763 -0.412
32 HA VAL 4 HA VAL 4 -4.219 4.008 0.031
33 HB VAL 4 HB VAL 4 -5.853 2.360 1.971
34 HG11 VAL 4 HG11 VAL 4 -4.839 3.821 3.653
35 HG12 VAL 4 HG12 VAL 4 -3.836 4.536 2.394
36 HG13 VAL 4 HG13 VAL 4 -3.649 2.833 2.807
37 HG21 VAL 4 HG21 VAL 4 -6.836 4.520 2.630
38 HG22 VAL 4 HG22 VAL 4 -7.248 4.058 0.978
39 HG23 VAL 4 HG23 VAL 4 -6.013 5.284 1.273
40 H ARG 5 HN ARG 5 -5.198 0.659 -0.165
41 HA ARG 5 HA ARG 5 -2.909 -0.577 0.912
42 HB2 ARG 5 HB2 ARG 5 -4.788 -1.498 -1.275
43 HB3 ARG 5 HB1 ARG 5 -3.568 -2.517 -0.533
44 HG2 ARG 5 HG2 ARG 5 -5.741 -1.195 1.060
45 HG3 ARG 5 HG1 ARG 5 -5.946 -2.769 0.294
46 HD2 ARG 5 HD2 ARG 5 -5.272 -3.369 2.412
47 HD3 ARG 5 HD1 ARG 5 -3.742 -3.362 1.543
48 HE ARG 5 HE ARG 5 -4.457 -0.903 2.915
49 HH11 ARG 5 HH11 ARG 5 -2.604 -3.872 2.942
50 HH12 ARG 5 HH12 ARG 5 -1.598 -3.380 4.266
51 HH21 ARG 5 HH21 ARG 5 -3.141 -0.260 4.667
52 HH22 ARG 5 HH22 ARG 5 -1.900 -1.332 5.244
53 H ILE 6 HN ILE 6 -3.481 1.017 -2.125
54 HA ILE 6 HA ILE 6 -1.301 -0.178 -3.553
55 HB ILE 6 HB ILE 6 -2.723 2.411 -4.155
56 HG12 ILE 6 HG12 ILE 6 -3.521 -0.402 -4.385
57 HG13 ILE 6 HG11 ILE 6 -4.510 1.057 -4.400
58 HG21 ILE 6 HG21 ILE 6 -1.942 1.999 -6.447
59 HG22 ILE 6 HG22 ILE 6 -1.060 0.581 -5.880
60 HG23 ILE 6 HG23 ILE 6 -0.601 2.187 -5.315
61 HD11 ILE 6 HD11 ILE 6 -3.908 1.414 -6.732
62 HD12 ILE 6 HD12 ILE 6 -4.706 -0.141 -6.482
63 HD13 ILE 6 HD13 ILE 6 -2.954 -0.067 -6.695
64 H ILE 7 HN ILE 7 -1.764 2.768 -1.641
65 HA ILE 7 HA ILE 7 0.820 3.850 -2.082
66 HB ILE 7 HB ILE 7 -1.116 4.182 0.218
67 HG12 ILE 7 HG12 ILE 7 -1.129 6.565 -0.692
68 HG13 ILE 7 HG11 ILE 7 -0.263 5.935 -2.087
69 HG21 ILE 7 HG21 ILE 7 0.321 5.978 1.063
70 HG22 ILE 7 HG22 ILE 7 1.535 5.568 -0.147
71 HG23 ILE 7 HG23 ILE 7 1.128 4.411 1.120
72 HD11 ILE 7 HD11 ILE 7 -2.140 4.437 -2.555
73 HD12 ILE 7 HD12 ILE 7 -2.622 6.133 -2.552
74 HD13 ILE 7 HD13 ILE 7 -3.004 5.106 -1.172
75 H ARG 8 HN ARG 8 -0.525 1.609 0.276
76 HA ARG 8 HA ARG 8 1.859 1.141 1.725
77 HB2 ARG 8 HB2 ARG 8 -0.459 -0.743 1.252
78 HB3 ARG 8 HB1 ARG 8 0.739 -0.869 2.535
79 HG2 ARG 8 HG2 ARG 8 -1.250 1.363 2.196
80 HG3 ARG 8 HG1 ARG 8 -1.355 0.043 3.359
81 HD2 ARG 8 HD2 ARG 8 0.779 2.168 3.233
82 HD3 ARG 8 HD1 ARG 8 -0.503 2.039 4.434
83 HE ARG 8 HE ARG 8 0.864 -0.344 4.552
84 HH11 ARG 8 HH11 ARG 8 1.652 3.034 4.963
85 HH12 ARG 8 HH12 ARG 8 2.919 2.736 6.109
86 HH21 ARG 8 HH21 ARG 8 2.543 -0.752 6.046
87 HH22 ARG 8 HH22 ARG 8 3.417 0.578 6.735
88 H LYS 9 HN LYS 9 0.649 0.008 -1.312
89 HA LYS 9 HA LYS 9 2.312 -2.239 -1.681
90 HB2 LYS 9 HB2 LYS 9 0.279 -1.468 -3.063
91 HB3 LYS 9 HB1 LYS 9 1.422 -0.416 -3.896
92 HG2 LYS 9 HG2 LYS 9 1.048 -2.510 -5.087
93 HG3 LYS 9 HG1 LYS 9 2.728 -2.330 -4.578
94 HD2 LYS 9 HD2 LYS 9 2.407 -3.826 -2.751
95 HD3 LYS 9 HD1 LYS 9 0.659 -3.859 -3.026
96 HE2 LYS 9 HE2 LYS 9 1.708 -5.892 -3.875
97 HE3 LYS 9 HE1 LYS 9 1.010 -4.946 -5.186
98 HZ1 LYS 9 HZ1 LYS 9 3.882 -5.052 -4.441
99 HZ2 LYS 9 HZ2 LYS 9 3.234 -4.080 -5.662
100 HZ3 LYS 9 HZ3 LYS 9 3.174 -5.761 -5.803
101 H PHE 10 HN PHE 10 2.652 1.178 -2.399
102 HA PHE 10 HA PHE 10 5.182 1.093 -3.623
103 HB2 PHE 10 HB2 PHE 10 4.025 3.293 -1.898
104 HB3 PHE 10 HB1 PHE 10 5.312 3.469 -3.085
105 HD1 PHE 10 HD1 PHE 10 3.758 1.526 -5.076
106 HD2 PHE 10 HD2 PHE 10 2.766 5.070 -2.945
107 HE1 PHE 10 HE1 PHE 10 2.088 2.085 -6.794
108 HE2 PHE 10 HE2 PHE 10 1.089 5.633 -4.655
109 HZ PHE 10 HZ PHE 10 0.751 4.139 -6.584
110 H ILE 11 HN ILE 11 4.128 1.373 -0.290
111 HA ILE 11 HA ILE 11 6.663 1.713 0.899
112 HB ILE 11 HB ILE 11 3.983 0.896 1.931
113 HG12 ILE 11 HG12 ILE 11 4.072 2.953 3.072
114 HG13 ILE 11 HG11 ILE 11 5.826 3.049 2.945
115 HG21 ILE 11 HG21 ILE 11 6.565 0.766 3.458
116 HG22 ILE 11 HG22 ILE 11 5.429 -0.553 3.170
117 HG23 ILE 11 HG23 ILE 11 4.971 0.794 4.216
118 HD11 ILE 11 HD11 ILE 11 3.824 3.405 0.740
119 HD12 ILE 11 HD12 ILE 11 5.575 3.334 0.504
120 HD13 ILE 11 HD13 ILE 11 4.860 4.645 1.460
121 H LYS 12 HN LYS 12 4.790 -1.136 0.067
122 HA LYS 12 HA LYS 12 6.444 -3.021 1.378
123 HB2 LYS 12 HB2 LYS 12 4.644 -3.283 -1.032
124 HB3 LYS 12 HB1 LYS 12 5.494 -4.649 -0.319
125 HG2 LYS 12 HG2 LYS 12 4.330 -4.300 1.785
126 HG3 LYS 12 HG1 LYS 12 3.506 -2.893 1.108
127 HD2 LYS 12 HD2 LYS 12 2.421 -4.312 -0.550
128 HD3 LYS 12 HD1 LYS 12 3.271 -5.723 0.084
129 HE2 LYS 12 HE2 LYS 12 2.145 -5.454 2.224
130 HE3 LYS 12 HE1 LYS 12 1.330 -4.008 1.630
131 HZ1 LYS 12 HZ1 LYS 12 -0.121 -5.914 1.516
132 HZ2 LYS 12 HZ2 LYS 12 0.993 -6.758 0.568
133 HZ3 LYS 12 HZ3 LYS 12 0.237 -5.376 -0.046
134 H GLY 13 HN GLY 13 6.740 -1.305 -1.619
135 HA2 GLY 13 HA2 GLY 13 9.058 -2.872 -2.439
136 HA3 GLY 13 HA1 GLY 13 8.315 -1.555 -3.340
137 H PHE 14 HN PHE 14 8.320 0.175 -0.865
138 HA PHE 14 HA PHE 14 10.812 1.408 -1.481
139 HB2 PHE 14 HB2 PHE 14 9.131 2.905 -1.165
140 HB3 PHE 14 HB1 PHE 14 8.358 1.962 0.077
141 HD1 PHE 14 HD1 PHE 14 8.327 2.752 2.115
142 HD2 PHE 14 HD2 PHE 14 11.515 3.888 -0.433
143 HE1 PHE 14 HE1 PHE 14 9.193 4.259 3.883
144 HE2 PHE 14 HE2 PHE 14 12.402 5.391 1.307
145 HZ PHE 14 HZ PHE 14 11.237 5.578 3.473
146 H ILE 15 HN ILE 15 9.404 0.079 1.493
147 HA ILE 15 HA ILE 15 11.924 0.316 2.896
148 HB ILE 15 HB ILE 15 10.835 -0.750 4.794
149 HG12 ILE 15 HG12 ILE 15 8.432 -1.036 2.983
150 HG13 ILE 15 HG11 ILE 15 9.450 -2.358 3.548
151 HG21 ILE 15 HG21 ILE 15 10.555 1.638 4.504
152 HG22 ILE 15 HG22 ILE 15 9.100 0.931 5.210
153 HG23 ILE 15 HG23 ILE 15 9.129 1.367 3.501
154 HD11 ILE 15 HD11 ILE 15 7.391 -2.214 4.817
155 HD12 ILE 15 HD12 ILE 15 7.778 -0.558 5.281
156 HD13 ILE 15 HD13 ILE 15 8.788 -1.890 5.841
157 H SER 16 HN SER 16 10.730 -1.925 0.732
158 HA SER 16 HA SER 16 12.703 -3.884 1.608
159 HB2 SER 16 HB2 SER 16 9.834 -4.604 0.959
160 HB3 SER 16 HB1 SER 16 11.122 -5.744 1.350
161 HG SER 16 HG SER 16 11.139 -4.049 3.312
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 -10.602 0.277 -4.939
2 H2 LYS 1 HT2 LYS 1 -12.074 -0.531 -5.140
3 H3 LYS 1 HT3 LYS 1 -10.631 -1.408 -5.076
4 HA LYS 1 HA LYS 1 -11.737 0.200 -2.857
5 HB2 LYS 1 HB2 LYS 1 -11.773 -2.769 -3.395
6 HB3 LYS 1 HB1 LYS 1 -12.045 -2.087 -1.800
7 HG2 LYS 1 HG2 LYS 1 -14.001 -0.906 -2.607
8 HG3 LYS 1 HG1 LYS 1 -13.711 -1.508 -4.238
9 HD2 LYS 1 HD2 LYS 1 -14.051 -3.788 -3.493
10 HD3 LYS 1 HD1 LYS 1 -14.240 -3.239 -1.827
11 HE2 LYS 1 HE2 LYS 1 -16.405 -3.693 -2.820
12 HE3 LYS 1 HE1 LYS 1 -16.232 -1.974 -2.476
13 HZ1 LYS 1 HZ1 LYS 1 -15.849 -3.228 -5.142
14 HZ2 LYS 1 HZ2 LYS 1 -15.759 -1.576 -4.797
15 HZ3 LYS 1 HZ3 LYS 1 -17.232 -2.391 -4.647
16 H TRP 2 HN TRP 2 -10.498 0.283 -1.042
17 HA TRP 2 HA TRP 2 -8.632 0.320 0.242
18 HB2 TRP 2 HB2 TRP 2 -8.082 -2.391 -0.978
19 HB3 TRP 2 HB1 TRP 2 -7.427 -1.770 0.534
20 HD1 TRP 2 HD1 TRP 2 -9.541 -1.104 2.393
21 HE1 TRP 2 HE1 TRP 2 -11.556 -2.591 2.992
22 HE3 TRP 2 HE3 TRP 2 -9.545 -4.160 -1.711
23 HZ2 TRP 2 HZ2 TRP 2 -12.959 -4.779 1.853
24 HZ3 TRP 2 HZ3 TRP 2 -11.262 -5.918 -1.864
25 HH2 TRP 2 HH2 TRP 2 -12.925 -6.204 -0.105
26 H ALA 3 HN ALA 3 -8.388 1.677 -2.168
27 HA ALA 3 HA ALA 3 -5.946 0.981 -3.471
28 HB1 ALA 3 HB1 ALA 3 -7.310 3.653 -3.597
29 HB2 ALA 3 HB2 ALA 3 -7.823 2.251 -4.537
30 HB3 ALA 3 HB3 ALA 3 -6.212 2.926 -4.774
31 H VAL 4 HN VAL 4 -6.673 2.591 -0.556
32 HA VAL 4 HA VAL 4 -4.387 4.214 -0.344
33 HB VAL 4 HB VAL 4 -5.837 2.797 1.900
34 HG11 VAL 4 HG11 VAL 4 -3.761 3.761 2.595
35 HG12 VAL 4 HG12 VAL 4 -5.093 4.750 3.200
36 HG13 VAL 4 HG13 VAL 4 -4.165 5.281 1.799
37 HG21 VAL 4 HG21 VAL 4 -6.449 5.441 0.596
38 HG22 VAL 4 HG22 VAL 4 -7.164 4.865 2.099
39 HG23 VAL 4 HG23 VAL 4 -7.470 4.002 0.590
40 H ARG 5 HN ARG 5 -5.055 0.815 0.178
41 HA ARG 5 HA ARG 5 -2.541 0.120 1.304
42 HB2 ARG 5 HB2 ARG 5 -4.563 -1.529 -0.223
43 HB3 ARG 5 HB1 ARG 5 -3.137 -2.202 0.557
44 HG2 ARG 5 HG2 ARG 5 -5.327 -0.702 1.974
45 HG3 ARG 5 HG1 ARG 5 -5.185 -2.458 1.894
46 HD2 ARG 5 HD2 ARG 5 -2.996 -2.311 3.009
47 HD3 ARG 5 HD1 ARG 5 -3.182 -0.561 3.118
48 HE ARG 5 HE ARG 5 -5.415 -1.777 4.293
49 HH11 ARG 5 HH11 ARG 5 -1.983 -1.410 4.868
50 HH12 ARG 5 HH12 ARG 5 -2.138 -1.477 6.593
51 HH21 ARG 5 HH21 ARG 5 -5.618 -1.871 6.570
52 HH22 ARG 5 HH22 ARG 5 -4.193 -1.760 7.557
53 H ILE 6 HN ILE 6 -3.535 0.952 -1.854
54 HA ILE 6 HA ILE 6 -1.448 -0.358 -3.312
55 HB ILE 6 HB ILE 6 -3.382 1.865 -3.946
56 HG12 ILE 6 HG12 ILE 6 -4.350 0.378 -5.480
57 HG13 ILE 6 HG11 ILE 6 -2.920 -0.647 -5.540
58 HG21 ILE 6 HG21 ILE 6 -1.298 2.546 -4.982
59 HG22 ILE 6 HG22 ILE 6 -2.458 2.029 -6.207
60 HG23 ILE 6 HG23 ILE 6 -1.135 0.962 -5.737
61 HD11 ILE 6 HD11 ILE 6 -3.424 -1.566 -3.395
62 HD12 ILE 6 HD12 ILE 6 -4.879 -1.645 -4.389
63 HD13 ILE 6 HD13 ILE 6 -4.724 -0.405 -3.147
64 H ILE 7 HN ILE 7 -1.895 2.847 -1.863
65 HA ILE 7 HA ILE 7 0.641 3.894 -2.572
66 HB ILE 7 HB ILE 7 -1.253 4.522 -0.302
67 HG12 ILE 7 HG12 ILE 7 -1.321 6.744 -1.497
68 HG13 ILE 7 HG11 ILE 7 -0.355 6.019 -2.773
69 HG21 ILE 7 HG21 ILE 7 1.408 5.843 -0.824
70 HG22 ILE 7 HG22 ILE 7 0.978 4.872 0.585
71 HG23 ILE 7 HG23 ILE 7 0.182 6.420 0.304
72 HD11 ILE 7 HD11 ILE 7 -2.702 6.080 -3.366
73 HD12 ILE 7 HD12 ILE 7 -3.105 5.143 -1.926
74 HD13 ILE 7 HD13 ILE 7 -2.138 4.417 -3.210
75 H ARG 8 HN ARG 8 -0.520 2.014 0.178
76 HA ARG 8 HA ARG 8 1.964 1.814 1.516
77 HB2 ARG 8 HB2 ARG 8 -0.411 -0.056 1.551
78 HB3 ARG 8 HB1 ARG 8 0.934 -0.113 2.680
79 HG2 ARG 8 HG2 ARG 8 -0.968 2.195 2.341
80 HG3 ARG 8 HG1 ARG 8 -1.016 0.996 3.635
81 HD2 ARG 8 HD2 ARG 8 1.143 1.712 4.438
82 HD3 ARG 8 HD1 ARG 8 1.319 2.820 3.078
83 HE ARG 8 HE ARG 8 -1.023 3.312 4.673
84 HH11 ARG 8 HH11 ARG 8 2.410 3.937 4.371
85 HH12 ARG 8 HH12 ARG 8 2.346 5.442 5.227
86 HH21 ARG 8 HH21 ARG 8 -1.116 5.306 5.793
87 HH22 ARG 8 HH22 ARG 8 0.337 6.218 6.040
88 H LYS 9 HN LYS 9 0.649 0.250 -1.256
89 HA LYS 9 HA LYS 9 2.316 -2.037 -1.327
90 HB2 LYS 9 HB2 LYS 9 0.219 -1.582 -2.699
91 HB3 LYS 9 HB1 LYS 9 1.241 -0.580 -3.726
92 HG2 LYS 9 HG2 LYS 9 1.003 -2.764 -4.677
93 HG3 LYS 9 HG1 LYS 9 2.669 -2.525 -4.166
94 HD2 LYS 9 HD2 LYS 9 2.244 -3.799 -2.144
95 HD3 LYS 9 HD1 LYS 9 0.549 -3.992 -2.608
96 HE2 LYS 9 HE2 LYS 9 1.243 -5.231 -4.601
97 HE3 LYS 9 HE1 LYS 9 2.931 -5.030 -4.139
98 HZ1 LYS 9 HZ1 LYS 9 0.867 -6.518 -2.613
99 HZ2 LYS 9 HZ2 LYS 9 2.463 -6.285 -2.113
100 HZ3 LYS 9 HZ3 LYS 9 2.142 -7.194 -3.497
101 H PHE 10 HN PHE 10 2.592 1.240 -2.537
102 HA PHE 10 HA PHE 10 5.065 0.950 -3.877
103 HB2 PHE 10 HB2 PHE 10 3.883 3.406 -2.555
104 HB3 PHE 10 HB1 PHE 10 5.171 3.402 -3.757
105 HD1 PHE 10 HD1 PHE 10 3.606 1.032 -5.269
106 HD2 PHE 10 HD2 PHE 10 2.661 4.969 -3.984
107 HE1 PHE 10 HE1 PHE 10 1.933 1.212 -7.072
108 HE2 PHE 10 HE2 PHE 10 0.983 5.160 -5.775
109 HZ PHE 10 HZ PHE 10 0.617 3.279 -7.320
110 H ILE 11 HN ILE 11 4.119 1.561 -0.617
111 HA ILE 11 HA ILE 11 6.741 2.087 0.414
112 HB ILE 11 HB ILE 11 4.073 1.561 1.687
113 HG12 ILE 11 HG12 ILE 11 4.246 3.793 2.446
114 HG13 ILE 11 HG11 ILE 11 5.983 3.842 2.169
115 HG21 ILE 11 HG21 ILE 11 5.147 1.840 3.894
116 HG22 ILE 11 HG22 ILE 11 6.722 1.730 3.102
117 HG23 ILE 11 HG23 ILE 11 5.621 0.351 3.080
118 HD11 ILE 11 HD11 ILE 11 5.537 3.709 -0.261
119 HD12 ILE 11 HD12 ILE 11 4.911 5.175 0.514
120 HD13 ILE 11 HD13 ILE 11 3.813 3.855 0.097
121 H LYS 12 HN LYS 12 4.742 -0.718 -0.068
122 HA LYS 12 HA LYS 12 6.510 -2.548 1.226
123 HB2 LYS 12 HB2 LYS 12 4.414 -2.962 -0.909
124 HB3 LYS 12 HB1 LYS 12 5.319 -4.275 -0.168
125 HG2 LYS 12 HG2 LYS 12 4.427 -3.650 2.023
126 HG3 LYS 12 HG1 LYS 12 3.512 -2.345 1.271
127 HD2 LYS 12 HD2 LYS 12 2.254 -3.963 -0.041
128 HD3 LYS 12 HD1 LYS 12 3.199 -5.280 0.656
129 HE2 LYS 12 HE2 LYS 12 2.356 -4.696 2.882
130 HE3 LYS 12 HE1 LYS 12 1.405 -3.390 2.176
131 HZ1 LYS 12 HZ1 LYS 12 0.170 -5.030 0.905
132 HZ2 LYS 12 HZ2 LYS 12 0.060 -5.350 2.559
133 HZ3 LYS 12 HZ3 LYS 12 1.080 -6.282 1.586
134 H GLY 13 HN GLY 13 6.712 -0.695 -1.550
135 HA2 GLY 13 HA2 GLY 13 8.713 -2.349 -2.852
136 HA3 GLY 13 HA1 GLY 13 8.182 -0.748 -3.358
137 H PHE 14 HN PHE 14 8.562 0.580 -0.811
138 HA PHE 14 HA PHE 14 11.327 1.089 -0.829
139 HB2 PHE 14 HB2 PHE 14 9.177 1.684 1.200
140 HB3 PHE 14 HB1 PHE 14 10.784 2.343 1.228
141 HD1 PHE 14 HD1 PHE 14 7.843 3.507 0.935
142 HD2 PHE 14 HD2 PHE 14 11.180 2.990 -1.643
143 HE1 PHE 14 HE1 PHE 14 7.060 5.393 -0.449
144 HE2 PHE 14 HE2 PHE 14 10.409 4.872 -3.032
145 HZ PHE 14 HZ PHE 14 8.346 6.076 -2.435
146 H ILE 15 HN ILE 15 9.283 -0.229 1.735
147 HA ILE 15 HA ILE 15 9.802 -1.357 3.647
148 HB ILE 15 HB ILE 15 10.695 -3.676 3.222
149 HG12 ILE 15 HG12 ILE 15 10.550 -2.790 0.329
150 HG13 ILE 15 HG11 ILE 15 12.025 -3.188 1.202
151 HG21 ILE 15 HG21 ILE 15 8.648 -4.395 2.098
152 HG22 ILE 15 HG22 ILE 15 8.345 -2.732 1.600
153 HG23 ILE 15 HG23 ILE 15 8.329 -3.156 3.312
154 HD11 ILE 15 HD11 ILE 15 11.252 -5.487 1.460
155 HD12 ILE 15 HD12 ILE 15 11.325 -5.015 -0.237
156 HD13 ILE 15 HD13 ILE 15 9.770 -5.087 0.592
157 H SER 16 HN SER 16 11.510 0.526 3.802
158 HA SER 16 HA SER 16 14.159 -0.682 4.179
159 HB2 SER 16 HB2 SER 16 14.000 1.347 2.718
160 HB3 SER 16 HB1 SER 16 13.435 2.259 4.116
161 HG SER 16 HG SER 16 15.976 1.356 3.484
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 -11.038 3.600 -0.069
2 H2 LYS 1 HT2 LYS 1 -11.378 4.531 1.300
3 H3 LYS 1 HT3 LYS 1 -11.365 2.845 1.407
4 HA LYS 1 HA LYS 1 -9.018 4.506 0.745
5 HB2 LYS 1 HB2 LYS 1 -9.767 3.152 3.344
6 HB3 LYS 1 HB1 LYS 1 -8.219 3.913 3.015
7 HG2 LYS 1 HG2 LYS 1 -10.889 5.305 3.091
8 HG3 LYS 1 HG1 LYS 1 -9.650 5.356 4.346
9 HD2 LYS 1 HD2 LYS 1 -8.096 6.387 2.739
10 HD3 LYS 1 HD1 LYS 1 -9.374 6.384 1.524
11 HE2 LYS 1 HE2 LYS 1 -9.227 8.571 2.528
12 HE3 LYS 1 HE1 LYS 1 -10.741 7.805 3.001
13 HZ1 LYS 1 HZ1 LYS 1 -9.596 8.936 4.845
14 HZ2 LYS 1 HZ2 LYS 1 -8.297 7.865 4.684
15 HZ3 LYS 1 HZ3 LYS 1 -9.818 7.286 5.135
16 H TRP 2 HN TRP 2 -10.276 1.923 -0.369
17 HA TRP 2 HA TRP 2 -8.511 -0.158 0.395
18 HB2 TRP 2 HB2 TRP 2 -10.310 0.173 -2.006
19 HB3 TRP 2 HB1 TRP 2 -9.347 -1.273 -1.717
20 HD1 TRP 2 HD1 TRP 2 -9.847 -1.718 1.342
21 HE1 TRP 2 HE1 TRP 2 -12.174 -2.406 2.195
22 HE3 TRP 2 HE3 TRP 2 -12.672 -0.120 -2.610
23 HZ2 TRP 2 HZ2 TRP 2 -14.855 -2.290 1.297
24 HZ3 TRP 2 HZ3 TRP 2 -15.112 -0.459 -2.521
25 HH2 TRP 2 HH2 TRP 2 -16.159 -1.527 -0.595
26 H ALA 3 HN ALA 3 -8.414 2.352 -2.045
27 HA ALA 3 HA ALA 3 -6.171 1.253 -3.420
28 HB1 ALA 3 HB1 ALA 3 -6.968 4.145 -3.451
29 HB2 ALA 3 HB2 ALA 3 -7.801 2.907 -4.389
30 HB3 ALA 3 HB3 ALA 3 -6.091 3.232 -4.684
31 H VAL 4 HN VAL 4 -6.475 2.724 -0.403
32 HA VAL 4 HA VAL 4 -3.966 4.002 -0.235
33 HB VAL 4 HB VAL 4 -5.718 2.762 1.899
34 HG11 VAL 4 HG11 VAL 4 -4.413 4.065 3.493
35 HG12 VAL 4 HG12 VAL 4 -3.314 4.531 2.198
36 HG13 VAL 4 HG13 VAL 4 -3.440 2.841 2.681
37 HG21 VAL 4 HG21 VAL 4 -6.257 5.102 2.425
38 HG22 VAL 4 HG22 VAL 4 -6.759 4.642 0.796
39 HG23 VAL 4 HG23 VAL 4 -5.305 5.614 1.033
40 H ARG 5 HN ARG 5 -5.065 0.713 -0.111
41 HA ARG 5 HA ARG 5 -2.698 -0.442 0.965
42 HB2 ARG 5 HB2 ARG 5 -4.979 -1.526 -0.668
43 HB3 ARG 5 HB1 ARG 5 -3.582 -2.522 -0.298
44 HG2 ARG 5 HG2 ARG 5 -5.349 -2.976 1.273
45 HG3 ARG 5 HG1 ARG 5 -4.004 -2.195 2.105
46 HD2 ARG 5 HD2 ARG 5 -5.194 -0.068 2.053
47 HD3 ARG 5 HD1 ARG 5 -6.523 -0.817 1.168
48 HE ARG 5 HE ARG 5 -6.421 -2.332 3.370
49 HH11 ARG 5 HH11 ARG 5 -6.440 1.146 2.971
50 HH12 ARG 5 HH12 ARG 5 -7.232 1.442 4.483
51 HH21 ARG 5 HH21 ARG 5 -7.465 -1.940 5.361
52 HH22 ARG 5 HH22 ARG 5 -7.825 -0.310 5.836
53 H ILE 6 HN ILE 6 -3.520 0.908 -2.057
54 HA ILE 6 HA ILE 6 -1.444 -0.337 -3.617
55 HB ILE 6 HB ILE 6 -3.243 2.060 -4.035
56 HG12 ILE 6 HG12 ILE 6 -4.255 0.837 -5.777
57 HG13 ILE 6 HG11 ILE 6 -2.935 -0.326 -5.855
58 HG21 ILE 6 HG21 ILE 6 -1.102 2.693 -4.958
59 HG22 ILE 6 HG22 ILE 6 -2.261 2.385 -6.253
60 HG23 ILE 6 HG23 ILE 6 -1.024 1.186 -5.871
61 HD11 ILE 6 HD11 ILE 6 -4.884 -0.080 -3.578
62 HD12 ILE 6 HD12 ILE 6 -3.646 -1.318 -3.782
63 HD13 ILE 6 HD13 ILE 6 -5.007 -1.238 -4.900
64 H ILE 7 HN ILE 7 -1.867 2.693 -1.812
65 HA ILE 7 HA ILE 7 0.722 3.729 -2.304
66 HB ILE 7 HB ILE 7 -1.282 4.202 -0.102
67 HG12 ILE 7 HG12 ILE 7 -1.201 6.527 -1.061
68 HG13 ILE 7 HG11 ILE 7 -0.154 5.908 -2.331
69 HG21 ILE 7 HG21 ILE 7 0.892 4.364 0.965
70 HG22 ILE 7 HG22 ILE 7 0.163 5.962 0.801
71 HG23 ILE 7 HG23 ILE 7 1.449 5.463 -0.299
72 HD11 ILE 7 HD11 ILE 7 -2.432 6.099 -3.106
73 HD12 ILE 7 HD12 ILE 7 -2.989 5.063 -1.791
74 HD13 ILE 7 HD13 ILE 7 -1.944 4.404 -3.050
75 H ARG 8 HN ARG 8 -0.607 1.597 0.170
76 HA ARG 8 HA ARG 8 1.772 1.204 1.634
77 HB2 ARG 8 HB2 ARG 8 -0.540 -0.699 1.201
78 HB3 ARG 8 HB1 ARG 8 0.702 -0.878 2.428
79 HG2 ARG 8 HG2 ARG 8 -1.274 1.382 2.241
80 HG3 ARG 8 HG1 ARG 8 -1.353 0.018 3.357
81 HD2 ARG 8 HD2 ARG 8 0.829 0.731 4.300
82 HD3 ARG 8 HD1 ARG 8 0.775 2.149 3.254
83 HE ARG 8 HE ARG 8 -1.568 2.308 4.574
84 HH11 ARG 8 HH11 ARG 8 1.719 1.831 5.676
85 HH12 ARG 8 HH12 ARG 8 1.461 2.622 7.195
86 HH21 ARG 8 HH21 ARG 8 -1.913 3.350 6.579
87 HH22 ARG 8 HH22 ARG 8 -0.602 3.487 7.703
88 H LYS 9 HN LYS 9 0.684 0.021 -1.424
89 HA LYS 9 HA LYS 9 2.398 -2.229 -1.665
90 HB2 LYS 9 HB2 LYS 9 0.364 -1.583 -3.100
91 HB3 LYS 9 HB1 LYS 9 1.478 -0.528 -3.961
92 HG2 LYS 9 HG2 LYS 9 1.253 -2.617 -5.114
93 HG3 LYS 9 HG1 LYS 9 2.888 -2.470 -4.472
94 HD2 LYS 9 HD2 LYS 9 2.352 -3.912 -2.634
95 HD3 LYS 9 HD1 LYS 9 0.647 -3.943 -3.112
96 HE2 LYS 9 HE2 LYS 9 1.339 -4.993 -5.264
97 HE3 LYS 9 HE1 LYS 9 2.985 -5.084 -4.644
98 HZ1 LYS 9 HZ1 LYS 9 0.616 -6.386 -3.418
99 HZ2 LYS 9 HZ2 LYS 9 2.210 -6.508 -2.864
100 HZ3 LYS 9 HZ3 LYS 9 1.782 -7.165 -4.362
101 H PHE 10 HN PHE 10 2.629 1.161 -2.530
102 HA PHE 10 HA PHE 10 5.176 1.145 -3.712
103 HB2 PHE 10 HB2 PHE 10 3.946 3.351 -2.045
104 HB3 PHE 10 HB1 PHE 10 5.209 3.534 -3.256
105 HD1 PHE 10 HD1 PHE 10 2.601 5.049 -3.113
106 HD2 PHE 10 HD2 PHE 10 3.705 1.497 -5.178
107 HE1 PHE 10 HE1 PHE 10 0.874 5.500 -4.805
108 HE2 PHE 10 HE2 PHE 10 1.986 1.947 -6.879
109 HZ PHE 10 HZ PHE 10 0.567 3.948 -6.691
110 H ILE 11 HN ILE 11 4.070 1.401 -0.411
111 HA ILE 11 HA ILE 11 6.576 1.829 0.829
112 HB ILE 11 HB ILE 11 3.897 0.935 1.811
113 HG12 ILE 11 HG12 ILE 11 3.907 2.991 2.956
114 HG13 ILE 11 HG11 ILE 11 5.663 3.124 2.883
115 HG21 ILE 11 HG21 ILE 11 5.407 -0.484 3.042
116 HG22 ILE 11 HG22 ILE 11 4.827 0.802 4.102
117 HG23 ILE 11 HG23 ILE 11 6.446 0.893 3.406
118 HD11 ILE 11 HD11 ILE 11 3.721 3.462 0.624
119 HD12 ILE 11 HD12 ILE 11 5.478 3.422 0.437
120 HD13 ILE 11 HD13 ILE 11 4.715 4.715 1.382
121 H LYS 12 HN LYS 12 4.787 -1.054 -0.064
122 HA LYS 12 HA LYS 12 6.531 -2.888 1.223
123 HB2 LYS 12 HB2 LYS 12 4.669 -3.212 -1.129
124 HB3 LYS 12 HB1 LYS 12 5.581 -4.548 -0.437
125 HG2 LYS 12 HG2 LYS 12 4.491 -4.153 1.724
126 HG3 LYS 12 HG1 LYS 12 3.555 -2.846 0.998
127 HD2 LYS 12 HD2 LYS 12 2.488 -4.406 -0.511
128 HD3 LYS 12 HD1 LYS 12 3.491 -5.725 0.099
129 HE2 LYS 12 HE2 LYS 12 2.490 -5.498 2.299
130 HE3 LYS 12 HE1 LYS 12 1.536 -4.123 1.746
131 HZ1 LYS 12 HZ1 LYS 12 1.321 -6.905 0.733
132 HZ2 LYS 12 HZ2 LYS 12 0.407 -5.589 0.190
133 HZ3 LYS 12 HZ3 LYS 12 0.228 -6.143 1.775
134 H GLY 13 HN GLY 13 6.732 -1.108 -1.733
135 HA2 GLY 13 HA2 GLY 13 9.044 -2.580 -2.677
136 HA3 GLY 13 HA1 GLY 13 8.359 -1.126 -3.399
137 H PHE 14 HN PHE 14 8.345 0.363 -0.862
138 HA PHE 14 HA PHE 14 10.974 1.445 -1.105
139 HB2 PHE 14 HB2 PHE 14 9.453 3.078 -0.769
140 HB3 PHE 14 HB1 PHE 14 8.399 2.071 0.182
141 HD1 PHE 14 HD1 PHE 14 11.786 3.613 0.496
142 HD2 PHE 14 HD2 PHE 14 8.049 2.676 2.261
143 HE1 PHE 14 HE1 PHE 14 12.478 4.797 2.549
144 HE2 PHE 14 HE2 PHE 14 8.717 3.856 4.333
145 HZ PHE 14 HZ PHE 14 10.940 4.917 4.472
146 H ILE 15 HN ILE 15 9.184 0.087 1.665
147 HA ILE 15 HA ILE 15 11.591 -0.164 3.227
148 HB ILE 15 HB ILE 15 10.289 -1.307 4.904
149 HG12 ILE 15 HG12 ILE 15 8.000 -1.316 2.923
150 HG13 ILE 15 HG11 ILE 15 8.961 -2.725 3.362
151 HG21 ILE 15 HG21 ILE 15 8.743 0.986 3.711
152 HG22 ILE 15 HG22 ILE 15 10.090 1.103 4.843
153 HG23 ILE 15 HG23 ILE 15 8.567 0.378 5.357
154 HD11 ILE 15 HD11 ILE 15 8.186 -2.523 5.670
155 HD12 ILE 15 HD12 ILE 15 6.850 -2.716 4.536
156 HD13 ILE 15 HD13 ILE 15 7.210 -1.128 5.211
157 H SER 16 HN SER 16 12.566 -2.121 3.920
158 HA SER 16 HA SER 16 11.912 -4.551 2.476
159 HB2 SER 16 HB2 SER 16 14.663 -3.289 2.320
160 HB3 SER 16 HB1 SER 16 14.207 -4.859 1.656
161 HG SER 16 HG SER 16 12.468 -3.095 0.741
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 -11.202 2.199 1.637
2 H2 LYS 1 HT2 LYS 1 -12.018 0.840 1.056
3 H3 LYS 1 HT3 LYS 1 -12.667 2.382 0.817
4 HA LYS 1 HA LYS 1 -11.670 1.529 -1.199
5 HB2 LYS 1 HB2 LYS 1 -11.663 3.988 -0.596
6 HB3 LYS 1 HB1 LYS 1 -10.007 3.774 -0.050
7 HG2 LYS 1 HG2 LYS 1 -10.014 4.697 -2.269
8 HG3 LYS 1 HG1 LYS 1 -9.383 3.050 -2.326
9 HD2 LYS 1 HD2 LYS 1 -11.566 2.237 -3.076
10 HD3 LYS 1 HD1 LYS 1 -12.204 3.881 -3.006
11 HE2 LYS 1 HE2 LYS 1 -9.924 2.977 -4.758
12 HE3 LYS 1 HE1 LYS 1 -11.591 3.171 -5.292
13 HZ1 LYS 1 HZ1 LYS 1 -11.442 5.527 -4.680
14 HZ2 LYS 1 HZ2 LYS 1 -10.315 5.104 -5.868
15 HZ3 LYS 1 HZ3 LYS 1 -9.813 5.317 -4.268
16 H TRP 2 HN TRP 2 -10.518 -0.287 -1.497
17 HA TRP 2 HA TRP 2 -8.301 -0.989 0.111
18 HB2 TRP 2 HB2 TRP 2 -9.403 -2.154 -2.435
19 HB3 TRP 2 HB1 TRP 2 -8.000 -2.831 -1.611
20 HD1 TRP 2 HD1 TRP 2 -11.697 -3.033 -1.656
21 HE1 TRP 2 HE1 TRP 2 -12.550 -4.400 0.352
22 HE3 TRP 2 HE3 TRP 2 -7.389 -3.208 1.092
23 HZ2 TRP 2 HZ2 TRP 2 -11.513 -5.413 2.788
24 HZ3 TRP 2 HZ3 TRP 2 -7.421 -4.396 3.249
25 HH2 TRP 2 HH2 TRP 2 -9.452 -5.469 4.060
26 H ALA 3 HN ALA 3 -8.566 0.911 -2.737
27 HA ALA 3 HA ALA 3 -5.958 0.509 -3.749
28 HB1 ALA 3 HB1 ALA 3 -7.845 1.548 -5.006
29 HB2 ALA 3 HB2 ALA 3 -6.305 2.396 -5.122
30 HB3 ALA 3 HB3 ALA 3 -7.576 3.017 -4.067
31 H VAL 4 HN VAL 4 -6.998 2.083 -0.916
32 HA VAL 4 HA VAL 4 -4.915 3.978 -0.672
33 HB VAL 4 HB VAL 4 -6.567 2.558 1.428
34 HG11 VAL 4 HG11 VAL 4 -4.700 4.893 1.662
35 HG12 VAL 4 HG12 VAL 4 -4.551 3.322 2.449
36 HG13 VAL 4 HG13 VAL 4 -5.862 4.415 2.897
37 HG21 VAL 4 HG21 VAL 4 -7.898 3.946 -0.044
38 HG22 VAL 4 HG22 VAL 4 -6.795 5.299 0.208
39 HG23 VAL 4 HG23 VAL 4 -7.765 4.695 1.549
40 H ARG 5 HN ARG 5 -5.234 0.561 -0.104
41 HA ARG 5 HA ARG 5 -2.821 0.226 1.393
42 HB2 ARG 5 HB2 ARG 5 -4.189 -1.893 -0.274
43 HB3 ARG 5 HB1 ARG 5 -3.185 -2.123 1.151
44 HG2 ARG 5 HG2 ARG 5 -5.936 -0.897 1.074
45 HG3 ARG 5 HG1 ARG 5 -5.504 -2.487 1.704
46 HD2 ARG 5 HD2 ARG 5 -4.432 -1.597 3.564
47 HD3 ARG 5 HD1 ARG 5 -4.218 -0.019 2.808
48 HE ARG 5 HE ARG 5 -6.972 -0.745 3.230
49 HH11 ARG 5 HH11 ARG 5 -4.136 0.683 4.718
50 HH12 ARG 5 HH12 ARG 5 -5.052 1.691 5.788
51 HH21 ARG 5 HH21 ARG 5 -8.176 0.574 4.636
52 HH22 ARG 5 HH22 ARG 5 -7.360 1.622 5.751
53 H ILE 6 HN ILE 6 -3.608 0.720 -1.868
54 HA ILE 6 HA ILE 6 -1.321 -0.389 -3.131
55 HB ILE 6 HB ILE 6 -3.388 1.654 -3.888
56 HG12 ILE 6 HG12 ILE 6 -4.047 0.118 -5.550
57 HG13 ILE 6 HG11 ILE 6 -2.524 -0.765 -5.463
58 HG21 ILE 6 HG21 ILE 6 -2.320 1.962 -6.082
59 HG22 ILE 6 HG22 ILE 6 -0.908 1.084 -5.494
60 HG23 ILE 6 HG23 ILE 6 -1.360 2.621 -4.757
61 HD11 ILE 6 HD11 ILE 6 -4.453 -1.975 -4.509
62 HD12 ILE 6 HD12 ILE 6 -4.593 -0.719 -3.280
63 HD13 ILE 6 HD13 ILE 6 -3.146 -1.721 -3.354
64 H ILE 7 HN ILE 7 -2.039 2.762 -1.667
65 HA ILE 7 HA ILE 7 0.438 3.990 -2.289
66 HB ILE 7 HB ILE 7 -1.584 4.476 -0.099
67 HG12 ILE 7 HG12 ILE 7 -1.731 6.704 -1.290
68 HG13 ILE 7 HG11 ILE 7 -0.686 6.030 -2.532
69 HG21 ILE 7 HG21 ILE 7 1.003 5.976 -0.489
70 HG22 ILE 7 HG22 ILE 7 0.574 4.968 0.893
71 HG23 ILE 7 HG23 ILE 7 -0.311 6.460 0.581
72 HD11 ILE 7 HD11 ILE 7 -2.364 4.327 -3.015
73 HD12 ILE 7 HD12 ILE 7 -3.014 5.956 -3.199
74 HD13 ILE 7 HD13 ILE 7 -3.408 5.005 -1.767
75 H ARG 8 HN ARG 8 -0.676 2.015 0.411
76 HA ARG 8 HA ARG 8 1.780 1.963 1.831
77 HB2 ARG 8 HB2 ARG 8 -0.477 -0.050 1.768
78 HB3 ARG 8 HB1 ARG 8 0.823 -0.019 2.952
79 HG2 ARG 8 HG2 ARG 8 -1.166 2.203 2.535
80 HG3 ARG 8 HG1 ARG 8 -1.283 0.960 3.779
81 HD2 ARG 8 HD2 ARG 8 0.963 2.946 3.471
82 HD3 ARG 8 HD1 ARG 8 -0.329 3.031 4.666
83 HE ARG 8 HE ARG 8 0.718 0.630 5.194
84 HH11 ARG 8 HH11 ARG 8 2.244 3.745 4.702
85 HH12 ARG 8 HH12 ARG 8 3.602 3.379 5.719
86 HH21 ARG 8 HH21 ARG 8 2.490 0.152 6.540
87 HH22 ARG 8 HH22 ARG 8 3.747 1.332 6.756
88 H LYS 9 HN LYS 9 0.624 0.350 -0.992
89 HA LYS 9 HA LYS 9 2.417 -1.849 -1.017
90 HB2 LYS 9 HB2 LYS 9 0.302 -1.521 -2.417
91 HB3 LYS 9 HB1 LYS 9 1.293 -0.501 -3.457
92 HG2 LYS 9 HG2 LYS 9 1.142 -2.739 -4.335
93 HG3 LYS 9 HG1 LYS 9 2.799 -2.382 -3.856
94 HD2 LYS 9 HD2 LYS 9 2.481 -3.610 -1.787
95 HD3 LYS 9 HD1 LYS 9 0.791 -3.904 -2.206
96 HE2 LYS 9 HE2 LYS 9 1.453 -5.229 -4.109
97 HE3 LYS 9 HE1 LYS 9 3.149 -4.851 -3.827
98 HZ1 LYS 9 HZ1 LYS 9 1.395 -6.392 -1.998
99 HZ2 LYS 9 HZ2 LYS 9 3.022 -6.028 -1.724
100 HZ3 LYS 9 HZ3 LYS 9 2.588 -7.042 -3.002
101 H PHE 10 HN PHE 10 2.531 1.443 -2.179
102 HA PHE 10 HA PHE 10 5.007 1.321 -3.536
103 HB2 PHE 10 HB2 PHE 10 3.686 3.642 -2.114
104 HB3 PHE 10 HB1 PHE 10 5.007 3.775 -3.269
105 HD1 PHE 10 HD1 PHE 10 3.540 1.368 -4.893
106 HD2 PHE 10 HD2 PHE 10 2.510 5.270 -3.562
107 HE1 PHE 10 HE1 PHE 10 1.919 1.559 -6.732
108 HE2 PHE 10 HE2 PHE 10 0.874 5.466 -5.392
109 HZ PHE 10 HZ PHE 10 0.581 3.608 -6.980
110 H ILE 11 HN ILE 11 4.041 1.815 -0.258
111 HA ILE 11 HA ILE 11 6.628 2.455 0.789
112 HB ILE 11 HB ILE 11 3.977 1.770 2.007
113 HG12 ILE 11 HG12 ILE 11 4.057 3.984 2.848
114 HG13 ILE 11 HG11 ILE 11 5.790 4.113 2.563
115 HG21 ILE 11 HG21 ILE 11 6.584 1.991 3.481
116 HG22 ILE 11 HG22 ILE 11 5.533 0.575 3.389
117 HG23 ILE 11 HG23 ILE 11 4.990 2.021 4.241
118 HD11 ILE 11 HD11 ILE 11 5.333 4.007 0.130
119 HD12 ILE 11 HD12 ILE 11 4.653 5.433 0.939
120 HD13 ILE 11 HD13 ILE 11 3.607 4.078 0.504
121 H LYS 12 HN LYS 12 4.694 -0.435 0.445
122 HA LYS 12 HA LYS 12 6.640 -2.178 1.625
123 HB2 LYS 12 HB2 LYS 12 4.356 -2.736 -0.277
124 HB3 LYS 12 HB1 LYS 12 5.355 -3.986 0.453
125 HG2 LYS 12 HG2 LYS 12 4.636 -3.267 2.675
126 HG3 LYS 12 HG1 LYS 12 3.625 -2.021 1.939
127 HD2 LYS 12 HD2 LYS 12 2.349 -3.767 0.774
128 HD3 LYS 12 HD1 LYS 12 3.346 -5.000 1.548
129 HE2 LYS 12 HE2 LYS 12 2.578 -4.243 3.745
130 HE3 LYS 12 HE1 LYS 12 1.581 -3.012 2.973
131 HZ1 LYS 12 HZ1 LYS 12 0.356 -4.799 1.860
132 HZ2 LYS 12 HZ2 LYS 12 0.249 -4.916 3.542
133 HZ3 LYS 12 HZ3 LYS 12 1.274 -5.950 2.688
134 H GLY 13 HN GLY 13 6.366 -0.490 -1.270
135 HA2 GLY 13 HA2 GLY 13 8.221 -2.101 -2.775
136 HA3 GLY 13 HA1 GLY 13 7.617 -0.504 -3.210
137 H PHE 14 HN PHE 14 8.345 0.905 -0.829
138 HA PHE 14 HA PHE 14 11.018 1.527 -1.222
139 HB2 PHE 14 HB2 PHE 14 9.232 1.808 1.188
140 HB3 PHE 14 HB1 PHE 14 10.795 2.549 1.033
141 HD1 PHE 14 HD1 PHE 14 10.567 3.333 -1.899
142 HD2 PHE 14 HD2 PHE 14 7.952 3.704 1.424
143 HE1 PHE 14 HE1 PHE 14 9.529 5.302 -2.953
144 HE2 PHE 14 HE2 PHE 14 6.898 5.677 0.378
145 HZ PHE 14 HZ PHE 14 7.688 6.472 -1.815
146 H ILE 15 HN ILE 15 9.629 -0.096 1.603
147 HA ILE 15 HA ILE 15 12.059 -1.040 2.622
148 HB ILE 15 HB ILE 15 10.708 -2.644 3.961
149 HG12 ILE 15 HG12 ILE 15 8.376 -1.430 2.458
150 HG13 ILE 15 HG11 ILE 15 8.942 -3.088 2.292
151 HG21 ILE 15 HG21 ILE 15 9.515 -0.918 5.232
152 HG22 ILE 15 HG22 ILE 15 9.719 0.202 3.885
153 HG23 ILE 15 HG23 ILE 15 11.131 -0.396 4.756
154 HD11 ILE 15 HD11 ILE 15 6.970 -2.968 3.698
155 HD12 ILE 15 HD12 ILE 15 7.798 -1.853 4.786
156 HD13 ILE 15 HD13 ILE 15 8.367 -3.513 4.625
157 H SER 16 HN SER 16 13.418 -2.436 1.795
158 HA SER 16 HA SER 16 12.395 -4.860 0.530
159 HB2 SER 16 HB2 SER 16 12.938 -3.112 -1.232
160 HB3 SER 16 HB1 SER 16 14.618 -3.225 -0.712
161 HG SER 16 HG SER 16 14.210 -5.626 -1.114
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 -10.889 3.999 1.828
2 H2 LYS 1 HT2 LYS 1 -11.992 2.803 1.379
3 H3 LYS 1 HT3 LYS 1 -12.273 4.412 0.947
4 HA LYS 1 HA LYS 1 -11.493 3.177 -0.948
5 HB2 LYS 1 HB2 LYS 1 -9.403 5.065 0.167
6 HB3 LYS 1 HB1 LYS 1 -9.511 4.559 -1.509
7 HG2 LYS 1 HG2 LYS 1 -11.643 6.100 -0.045
8 HG3 LYS 1 HG1 LYS 1 -10.420 6.816 -1.092
9 HD2 LYS 1 HD2 LYS 1 -11.268 5.420 -2.958
10 HD3 LYS 1 HD1 LYS 1 -12.551 4.839 -1.896
11 HE2 LYS 1 HE2 LYS 1 -13.368 6.634 -3.313
12 HE3 LYS 1 HE1 LYS 1 -13.359 7.135 -1.624
13 HZ1 LYS 1 HZ1 LYS 1 -12.514 8.882 -3.043
14 HZ2 LYS 1 HZ2 LYS 1 -11.324 7.857 -3.667
15 HZ3 LYS 1 HZ3 LYS 1 -11.275 8.316 -2.040
16 H TRP 2 HN TRP 2 -10.445 1.414 -1.607
17 HA TRP 2 HA TRP 2 -8.643 0.074 0.198
18 HB2 TRP 2 HB2 TRP 2 -9.657 -0.765 -2.527
19 HB3 TRP 2 HB1 TRP 2 -8.781 -1.788 -1.394
20 HD1 TRP 2 HD1 TRP 2 -12.238 -0.466 -2.162
21 HE1 TRP 2 HE1 TRP 2 -13.942 -1.554 -0.567
22 HE3 TRP 2 HE3 TRP 2 -8.988 -2.742 1.067
23 HZ2 TRP 2 HZ2 TRP 2 -13.895 -3.173 1.756
24 HZ3 TRP 2 HZ3 TRP 2 -9.916 -4.039 2.944
25 HH2 TRP 2 HH2 TRP 2 -12.324 -4.236 3.262
26 H ALA 3 HN ALA 3 -8.378 2.295 -2.291
27 HA ALA 3 HA ALA 3 -6.004 1.346 -3.519
28 HB1 ALA 3 HB1 ALA 3 -5.879 3.411 -4.644
29 HB2 ALA 3 HB2 ALA 3 -6.892 4.210 -3.439
30 HB3 ALA 3 HB3 ALA 3 -7.592 3.006 -4.522
31 H VAL 4 HN VAL 4 -6.549 2.679 -0.452
32 HA VAL 4 HA VAL 4 -4.141 4.046 -0.032
33 HB VAL 4 HB VAL 4 -5.782 2.471 1.960
34 HG11 VAL 4 HG11 VAL 4 -3.559 2.981 2.769
35 HG12 VAL 4 HG12 VAL 4 -4.776 3.943 3.610
36 HG13 VAL 4 HG13 VAL 4 -3.790 4.677 2.347
37 HG21 VAL 4 HG21 VAL 4 -7.141 4.150 0.870
38 HG22 VAL 4 HG22 VAL 4 -5.903 5.371 1.175
39 HG23 VAL 4 HG23 VAL 4 -6.771 4.643 2.524
40 H ARG 5 HN ARG 5 -5.056 0.636 0.144
41 HA ARG 5 HA ARG 5 -2.574 -0.302 1.151
42 HB2 ARG 5 HB2 ARG 5 -4.655 -1.724 -0.515
43 HB3 ARG 5 HB1 ARG 5 -3.288 -2.515 0.257
44 HG2 ARG 5 HG2 ARG 5 -5.518 -1.060 1.656
45 HG3 ARG 5 HG1 ARG 5 -5.302 -2.805 1.569
46 HD2 ARG 5 HD2 ARG 5 -3.211 -2.621 2.802
47 HD3 ARG 5 HD1 ARG 5 -3.378 -0.868 2.852
48 HE ARG 5 HE ARG 5 -5.679 -1.943 3.977
49 HH11 ARG 5 HH11 ARG 5 -2.243 -1.908 4.667
50 HH12 ARG 5 HH12 ARG 5 -2.464 -1.987 6.385
51 HH21 ARG 5 HH21 ARG 5 -5.960 -2.068 6.243
52 HH22 ARG 5 HH22 ARG 5 -4.569 -2.085 7.278
53 H ILE 6 HN ILE 6 -3.535 0.863 -1.900
54 HA ILE 6 HA ILE 6 -1.480 -0.377 -3.472
55 HB ILE 6 HB ILE 6 -3.302 1.996 -3.912
56 HG12 ILE 6 HG12 ILE 6 -4.362 0.701 -5.574
57 HG13 ILE 6 HG11 ILE 6 -3.032 -0.450 -5.654
58 HG21 ILE 6 HG21 ILE 6 -2.383 2.237 -6.170
59 HG22 ILE 6 HG22 ILE 6 -1.137 1.051 -5.778
60 HG23 ILE 6 HG23 ILE 6 -1.186 2.592 -4.923
61 HD11 ILE 6 HD11 ILE 6 -5.076 -1.341 -4.599
62 HD12 ILE 6 HD12 ILE 6 -4.897 -0.150 -3.311
63 HD13 ILE 6 HD13 ILE 6 -3.670 -1.393 -3.540
64 H ILE 7 HN ILE 7 -1.879 2.738 -1.800
65 HA ILE 7 HA ILE 7 0.708 3.743 -2.350
66 HB ILE 7 HB ILE 7 -1.228 4.275 -0.096
67 HG12 ILE 7 HG12 ILE 7 -1.130 6.597 -1.135
68 HG13 ILE 7 HG11 ILE 7 -0.226 5.869 -2.454
69 HG21 ILE 7 HG21 ILE 7 1.489 5.535 -0.444
70 HG22 ILE 7 HG22 ILE 7 0.988 4.474 0.874
71 HG23 ILE 7 HG23 ILE 7 0.249 6.066 0.694
72 HD11 ILE 7 HD11 ILE 7 -2.111 4.441 -2.979
73 HD12 ILE 7 HD12 ILE 7 -2.585 6.140 -2.991
74 HD13 ILE 7 HD13 ILE 7 -3.015 5.112 -1.625
75 H ARG 8 HN ARG 8 -0.587 1.687 0.210
76 HA ARG 8 HA ARG 8 1.809 1.338 1.650
77 HB2 ARG 8 HB2 ARG 8 -0.486 -0.601 1.316
78 HB3 ARG 8 HB1 ARG 8 0.766 -0.705 2.544
79 HG2 ARG 8 HG2 ARG 8 -1.262 1.502 2.264
80 HG3 ARG 8 HG1 ARG 8 -1.290 0.201 3.453
81 HD2 ARG 8 HD2 ARG 8 0.859 1.018 4.353
82 HD3 ARG 8 HD1 ARG 8 0.803 2.357 3.205
83 HE ARG 8 HE ARG 8 -1.528 2.127 4.886
84 HH11 ARG 8 HH11 ARG 8 1.666 3.521 4.557
85 HH12 ARG 8 HH12 ARG 8 1.364 4.799 5.683
86 HH21 ARG 8 HH21 ARG 8 -1.932 3.815 6.367
87 HH22 ARG 8 HH22 ARG 8 -0.687 4.974 6.707
88 H LYS 9 HN LYS 9 0.667 0.003 -1.339
89 HA LYS 9 HA LYS 9 2.378 -2.244 -1.494
90 HB2 LYS 9 HB2 LYS 9 0.347 -1.571 -2.988
91 HB3 LYS 9 HB1 LYS 9 1.552 -0.667 -3.905
92 HG2 LYS 9 HG2 LYS 9 1.159 -2.860 -4.865
93 HG3 LYS 9 HG1 LYS 9 2.814 -2.714 -4.273
94 HD2 LYS 9 HD2 LYS 9 2.276 -3.953 -2.295
95 HD3 LYS 9 HD1 LYS 9 0.558 -3.958 -2.722
96 HE2 LYS 9 HE2 LYS 9 1.035 -5.326 -4.679
97 HE3 LYS 9 HE1 LYS 9 2.759 -5.274 -4.317
98 HZ1 LYS 9 HZ1 LYS 9 1.652 -7.343 -3.599
99 HZ2 LYS 9 HZ2 LYS 9 0.717 -6.450 -2.511
100 HZ3 LYS 9 HZ3 LYS 9 2.396 -6.517 -2.328
101 H PHE 10 HN PHE 10 2.640 1.100 -2.478
102 HA PHE 10 HA PHE 10 5.197 0.963 -3.662
103 HB2 PHE 10 HB2 PHE 10 3.942 3.319 -2.246
104 HB3 PHE 10 HB1 PHE 10 5.215 3.379 -3.460
105 HD1 PHE 10 HD1 PHE 10 2.482 4.782 -3.411
106 HD2 PHE 10 HD2 PHE 10 3.867 1.208 -5.245
107 HE1 PHE 10 HE1 PHE 10 0.771 5.024 -5.165
108 HE2 PHE 10 HE2 PHE 10 2.170 1.446 -7.010
109 HZ PHE 10 HZ PHE 10 0.617 3.356 -6.969
110 H ILE 11 HN ILE 11 4.054 1.388 -0.409
111 HA ILE 11 HA ILE 11 6.568 1.916 0.811
112 HB ILE 11 HB ILE 11 3.894 1.067 1.851
113 HG12 ILE 11 HG12 ILE 11 3.886 3.175 2.881
114 HG13 ILE 11 HG11 ILE 11 5.642 3.308 2.833
115 HG21 ILE 11 HG21 ILE 11 5.388 -0.286 3.154
116 HG22 ILE 11 HG22 ILE 11 4.845 1.070 4.146
117 HG23 ILE 11 HG23 ILE 11 6.456 1.091 3.420
118 HD11 ILE 11 HD11 ILE 11 3.754 3.524 0.513
119 HD12 ILE 11 HD12 ILE 11 5.518 3.528 0.388
120 HD13 ILE 11 HD13 ILE 11 4.685 4.832 1.254
121 H LYS 12 HN LYS 12 4.800 -0.977 -0.010
122 HA LYS 12 HA LYS 12 6.612 -2.763 1.302
123 HB2 LYS 12 HB2 LYS 12 4.593 -3.225 -0.893
124 HB3 LYS 12 HB1 LYS 12 5.527 -4.513 -0.141
125 HG2 LYS 12 HG2 LYS 12 4.561 -3.926 2.034
126 HG3 LYS 12 HG1 LYS 12 3.598 -2.670 1.255
127 HD2 LYS 12 HD2 LYS 12 2.467 -4.363 -0.091
128 HD3 LYS 12 HD1 LYS 12 3.450 -5.624 0.660
129 HE2 LYS 12 HE2 LYS 12 2.519 -5.012 2.851
130 HE3 LYS 12 HE1 LYS 12 1.505 -3.802 2.070
131 HZ1 LYS 12 HZ1 LYS 12 0.442 -5.594 0.813
132 HZ2 LYS 12 HZ2 LYS 12 0.263 -5.808 2.480
133 HZ3 LYS 12 HZ3 LYS 12 1.389 -6.735 1.626
134 H GLY 13 HN GLY 13 6.712 -0.993 -1.608
135 HA2 GLY 13 HA2 GLY 13 8.935 -2.554 -2.677
136 HA3 GLY 13 HA1 GLY 13 8.228 -1.108 -3.398
137 H PHE 14 HN PHE 14 8.302 0.412 -0.906
138 HA PHE 14 HA PHE 14 10.905 1.511 -1.179
139 HB2 PHE 14 HB2 PHE 14 9.376 3.106 -0.728
140 HB3 PHE 14 HB1 PHE 14 8.363 2.042 0.200
141 HD1 PHE 14 HD1 PHE 14 11.755 3.561 0.545
142 HD2 PHE 14 HD2 PHE 14 7.997 2.640 2.271
143 HE1 PHE 14 HE1 PHE 14 12.452 4.698 2.622
144 HE2 PHE 14 HE2 PHE 14 8.670 3.765 4.370
145 HZ PHE 14 HZ PHE 14 10.904 4.795 4.539
146 H ILE 15 HN ILE 15 9.236 0.006 1.583
147 HA ILE 15 HA ILE 15 11.889 -0.712 2.657
148 HB ILE 15 HB ILE 15 10.727 -1.250 4.783
149 HG12 ILE 15 HG12 ILE 15 8.340 0.072 3.481
150 HG13 ILE 15 HG11 ILE 15 8.479 -1.649 3.823
151 HG21 ILE 15 HG21 ILE 15 10.400 1.564 3.765
152 HG22 ILE 15 HG22 ILE 15 11.834 0.873 4.521
153 HG23 ILE 15 HG23 ILE 15 10.359 1.087 5.461
154 HD11 ILE 15 HD11 ILE 15 8.460 0.563 5.863
155 HD12 ILE 15 HD12 ILE 15 8.604 -1.160 6.212
156 HD13 ILE 15 HD13 ILE 15 7.124 -0.527 5.491
157 H SER 16 HN SER 16 11.779 -2.843 3.969
158 HA SER 16 HA SER 16 10.757 -4.893 2.170
159 HB2 SER 16 HB2 SER 16 12.524 -5.195 4.612
160 HB3 SER 16 HB1 SER 16 12.198 -6.425 3.390
161 HG SER 16 HG SER 16 13.360 -3.923 2.755
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