Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
654072 | 7jgx RC | 30775 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ILE 1 H ILE 1 -8.952 -0.471 -3.410
2 HA ILE 1 HA ILE 1 -6.596 -1.173 -5.038
3 HB ILE 1 HB ILE 1 -8.068 1.460 -5.148
4 HG12 ILE 1 HG12 ILE 1 -9.500 -0.351 -5.997
5 HG13 ILE 1 HG13 ILE 1 -8.968 0.706 -7.300
6 HG21 ILE 1 HG21 ILE 1 -5.711 0.292 -6.556
7 HG22 ILE 1 HG22 ILE 1 -6.736 1.454 -7.397
8 HG23 ILE 1 HG23 ILE 1 -5.940 1.911 -5.892
9 HD11 ILE 1 HD11 ILE 1 -7.828 -1.995 -6.628
10 HD12 ILE 1 HD12 ILE 1 -8.888 -1.610 -7.984
11 HD13 ILE 1 HD13 ILE 1 -7.260 -0.933 -7.916
12 H PHE 2 H PHE 2 -7.841 1.472 -2.988
13 HA PHE 2 HA PHE 2 -5.410 2.616 -2.323
14 HB2 PHE 2 HB2 PHE 2 -7.950 2.421 -0.696
15 HB3 PHE 2 HB3 PHE 2 -6.588 3.451 -0.267
16 HD1 PHE 2 HD1 PHE 2 -9.597 3.181 -2.144
17 HD2 PHE 2 HD2 PHE 2 -5.862 5.211 -1.968
18 HE1 PHE 2 HE1 PHE 2 -10.504 4.964 -3.578
19 HE2 PHE 2 HE2 PHE 2 -6.761 6.999 -3.400
20 HZ PHE 2 HZ PHE 2 -9.084 6.877 -4.206
21 H TRP 3 H TRP 3 -7.133 -0.032 -0.721
22 HA TRP 3 HA TRP 3 -5.400 -0.342 1.460
23 HB2 TRP 3 HB2 TRP 3 -7.045 -2.457 0.049
24 HB3 TRP 3 HB3 TRP 3 -6.351 -2.602 1.663
25 HD1 TRP 3 HD1 TRP 3 -7.321 -0.657 3.479
26 HE1 TRP 3 HE1 TRP 3 -9.745 0.165 3.743
27 HE3 TRP 3 HE3 TRP 3 -9.161 -2.072 -1.077
28 HZ2 TRP 3 HZ2 TRP 3 -12.123 0.209 2.224
29 HZ3 TRP 3 HZ3 TRP 3 -11.522 -1.604 -1.592
30 HH2 TRP 3 HH2 TRP 3 -12.970 -0.488 0.026
31 H LEU 4 H LEU 4 -5.373 -1.853 -1.750
32 HA LEU 4 HA LEU 4 -3.135 -3.516 -1.267
33 HB2 LEU 4 HB2 LEU 4 -4.591 -2.563 -3.686
34 HB3 LEU 4 HB3 LEU 4 -3.020 -3.335 -3.888
35 HG LEU 4 HG LEU 4 -4.879 -4.900 -4.218
36 HD11 LEU 4 HD11 LEU 4 -2.697 -5.217 -2.353
37 HD12 LEU 4 HD12 LEU 4 -4.046 -6.283 -1.957
38 HD13 LEU 4 HD13 LEU 4 -3.318 -6.339 -3.563
39 HD21 LEU 4 HD21 LEU 4 -5.493 -4.618 -1.292
40 HD22 LEU 4 HD22 LEU 4 -6.360 -3.701 -2.523
41 HD23 LEU 4 HD23 LEU 4 -6.414 -5.463 -2.536
42 H PHE 5 H PHE 5 -3.477 -0.293 -2.693
43 HA PHE 5 HA PHE 5 -0.783 0.035 -3.443
44 HB2 PHE 5 HB2 PHE 5 -2.573 1.468 -4.309
45 HB3 PHE 5 HB3 PHE 5 -2.832 2.132 -2.700
46 HD1 PHE 5 HD1 PHE 5 -0.637 2.088 -5.622
47 HD2 PHE 5 HD2 PHE 5 -1.296 3.731 -1.750
48 HE1 PHE 5 HE1 PHE 5 1.031 3.838 -6.084
49 HE2 PHE 5 HE2 PHE 5 0.370 5.483 -2.208
50 HZ PHE 5 HZ PHE 5 1.536 5.538 -4.376
51 H ARG 6 H ARG 6 -2.523 0.808 -0.465
52 HA ARG 6 HA ARG 6 -0.364 2.134 0.807
53 HB2 ARG 6 HB2 ARG 6 -2.762 2.349 1.468
54 HB3 ARG 6 HB3 ARG 6 -2.692 0.710 2.106
55 HG2 ARG 6 HG2 ARG 6 -2.444 2.199 3.934
56 HG3 ARG 6 HG3 ARG 6 -0.864 1.474 3.632
57 HD2 ARG 6 HD2 ARG 6 -0.209 3.482 2.367
58 HD3 ARG 6 HD3 ARG 6 -1.776 4.204 2.731
59 HE ARG 6 HE ARG 6 -0.535 3.454 5.135
60 HH11 ARG 6 HH11 ARG 6 -0.201 5.767 2.554
61 HH12 ARG 6 HH12 ARG 6 0.554 6.966 3.549
62 HH21 ARG 6 HH21 ARG 6 0.458 5.026 6.457
63 HH22 ARG 6 HH22 ARG 6 0.929 6.544 5.771
64 H GLY 7 H GLY 7 -1.501 -1.216 0.810
65 HA2 GLY 7 HA2 GLY 7 0.193 -2.199 2.824
66 HA3 GLY 7 HA3 GLY 7 -0.511 -3.157 1.528
67 H LYS 8 H LYS 8 0.725 -1.762 -0.636
68 HA LYS 8 HA LYS 8 3.164 -3.177 -0.784
69 HB2 LYS 8 HB2 LYS 8 1.573 -2.252 -2.662
70 HB3 LYS 8 HB3 LYS 8 2.602 -0.831 -2.557
71 HG2 LYS 8 HG2 LYS 8 4.545 -2.133 -3.114
72 HG3 LYS 8 HG3 LYS 8 3.602 -3.624 -3.071
73 HD2 LYS 8 HD2 LYS 8 2.802 -1.398 -4.903
74 HD3 LYS 8 HD3 LYS 8 4.118 -2.484 -5.355
75 HE2 LYS 8 HE2 LYS 8 2.727 -4.325 -5.486
76 HE3 LYS 8 HE3 LYS 8 1.520 -3.619 -4.412
77 HZ1 LYS 8 HZ1 LYS 8 0.942 -2.053 -6.179
78 HZ2 LYS 8 HZ2 LYS 8 2.067 -2.785 -7.210
79 HZ3 LYS 8 HZ3 LYS 8 0.719 -3.657 -6.675
80 H ALA 9 H ALA 9 2.458 0.282 -0.365
81 HA ALA 9 HA ALA 9 5.160 1.109 -0.224
82 HB1 ALA 9 HB1 ALA 9 3.869 3.043 1.151
83 HB2 ALA 9 HB2 ALA 9 3.923 2.949 -0.610
84 HB3 ALA 9 HB3 ALA 9 2.525 2.324 0.265
85 H ASP 10 H ASP 10 2.839 0.044 2.197
86 HA ASP 10 HA ASP 10 4.131 0.812 4.523
87 HB2 ASP 10 HB2 ASP 10 1.858 -0.292 4.299
88 HB3 ASP 10 HB3 ASP 10 2.710 -1.829 4.185
89 H VAL 11 H VAL 11 4.732 -1.970 2.446
90 HA VAL 11 HA VAL 11 6.431 -3.459 4.034
91 HB VAL 11 HB VAL 11 6.743 -3.007 1.061
92 HG11 VAL 11 HG11 VAL 11 7.369 -5.652 1.896
93 HG12 VAL 11 HG12 VAL 11 8.426 -4.449 1.155
94 HG13 VAL 11 HG13 VAL 11 8.266 -4.522 2.911
95 HG21 VAL 11 HG21 VAL 11 4.766 -4.499 2.656
96 HG22 VAL 11 HG22 VAL 11 4.642 -3.831 1.029
97 HG23 VAL 11 HG23 VAL 11 5.459 -5.372 1.291
98 H ALA 12 H ALA 12 7.119 -0.560 2.159
99 HA ALA 12 HA ALA 12 9.923 -0.606 2.363
100 HB1 ALA 12 HB1 ALA 12 8.396 1.963 2.319
101 HB2 ALA 12 HB2 ALA 12 9.896 1.538 1.498
102 HB3 ALA 12 HB3 ALA 12 8.362 0.887 0.922
103 H LEU 13 H LEU 13 11.316 0.675 3.703
104 HA LEU 13 HA LEU 13 10.381 0.771 6.459
105 HB2 LEU 13 HB2 LEU 13 13.087 0.942 5.170
106 HB3 LEU 13 HB3 LEU 13 12.845 1.306 6.877
107 HG LEU 13 HG LEU 13 12.243 -1.342 5.560
108 HD11 LEU 13 HD11 LEU 13 14.647 -0.834 5.642
109 HD12 LEU 13 HD12 LEU 13 14.517 -0.564 7.380
110 HD13 LEU 13 HD13 LEU 13 14.206 -2.166 6.711
111 HD21 LEU 13 HD21 LEU 13 12.340 -1.922 8.138
112 HD22 LEU 13 HD22 LEU 13 11.833 -0.239 8.289
113 HD23 LEU 13 HD23 LEU 13 10.851 -1.377 7.367
114 HN1 NH2 14 HN1 NH2 14 9.955 2.585 7.553
115 HN2 NH2 14 HN2 NH2 14 10.243 4.192 7.050
Start of MODEL 2
1 H1 ILE 1 H ILE 1 -8.796 -0.611 -3.977
2 HA ILE 1 HA ILE 1 -6.193 -1.319 -5.162
3 HB ILE 1 HB ILE 1 -6.341 0.938 -6.294
4 HG12 ILE 1 HG12 ILE 1 -9.240 0.682 -5.466
5 HG13 ILE 1 HG13 ILE 1 -8.106 1.890 -4.875
6 HG21 ILE 1 HG21 ILE 1 -8.594 -0.438 -7.483
7 HG22 ILE 1 HG22 ILE 1 -6.964 -0.193 -8.109
8 HG23 ILE 1 HG23 ILE 1 -7.302 -1.553 -7.039
9 HD11 ILE 1 HD11 ILE 1 -7.872 2.488 -7.400
10 HD12 ILE 1 HD12 ILE 1 -9.432 1.674 -7.528
11 HD13 ILE 1 HD13 ILE 1 -9.251 3.070 -6.466
12 H PHE 2 H PHE 2 -7.918 0.852 -3.002
13 HA PHE 2 HA PHE 2 -5.757 2.533 -2.340
14 HB2 PHE 2 HB2 PHE 2 -8.398 1.889 -1.118
15 HB3 PHE 2 HB3 PHE 2 -7.209 2.717 -0.118
16 HD1 PHE 2 HD1 PHE 2 -9.961 3.291 -2.013
17 HD2 PHE 2 HD2 PHE 2 -5.947 4.658 -1.639
18 HE1 PHE 2 HE1 PHE 2 -10.600 5.434 -3.039
19 HE2 PHE 2 HE2 PHE 2 -6.581 6.805 -2.662
20 HZ PHE 2 HZ PHE 2 -8.909 7.195 -3.364
21 H TRP 3 H TRP 3 -7.107 -0.263 -0.591
22 HA TRP 3 HA TRP 3 -5.195 -0.328 1.450
23 HB2 TRP 3 HB2 TRP 3 -7.447 -1.629 1.161
24 HB3 TRP 3 HB3 TRP 3 -6.431 -2.852 0.403
25 HD1 TRP 3 HD1 TRP 3 -4.595 -4.066 1.983
26 HE1 TRP 3 HE1 TRP 3 -4.540 -4.421 4.532
27 HE3 TRP 3 HE3 TRP 3 -8.080 -0.589 3.363
28 HZ2 TRP 3 HZ2 TRP 3 -5.805 -3.368 6.824
29 HZ3 TRP 3 HZ3 TRP 3 -8.599 -0.325 5.755
30 HH2 TRP 3 HH2 TRP 3 -7.485 -1.688 7.447
31 H LEU 4 H LEU 4 -5.240 -1.888 -1.723
32 HA LEU 4 HA LEU 4 -2.937 -3.462 -1.396
33 HB2 LEU 4 HB2 LEU 4 -3.989 -2.230 -3.937
34 HB3 LEU 4 HB3 LEU 4 -2.886 -3.599 -3.819
35 HG LEU 4 HG LEU 4 -5.624 -3.750 -2.613
36 HD11 LEU 4 HD11 LEU 4 -6.657 -3.757 -4.573
37 HD12 LEU 4 HD12 LEU 4 -5.148 -3.267 -5.343
38 HD13 LEU 4 HD13 LEU 4 -5.545 -4.979 -5.192
39 HD21 LEU 4 HD21 LEU 4 -3.399 -5.558 -3.213
40 HD22 LEU 4 HD22 LEU 4 -4.684 -5.693 -2.013
41 HD23 LEU 4 HD23 LEU 4 -4.985 -6.170 -3.683
42 H PHE 5 H PHE 5 -3.359 -0.183 -2.681
43 HA PHE 5 HA PHE 5 -0.658 0.238 -3.373
44 HB2 PHE 5 HB2 PHE 5 -2.846 1.606 -3.928
45 HB3 PHE 5 HB3 PHE 5 -2.386 2.513 -2.491
46 HD1 PHE 5 HD1 PHE 5 -1.323 1.524 -5.876
47 HD2 PHE 5 HD2 PHE 5 -0.580 4.044 -2.528
48 HE1 PHE 5 HE1 PHE 5 0.254 2.846 -7.226
49 HE2 PHE 5 HE2 PHE 5 0.997 5.370 -3.872
50 HZ PHE 5 HZ PHE 5 1.415 4.772 -6.225
51 H ARG 6 H ARG 6 -2.496 1.009 -0.440
52 HA ARG 6 HA ARG 6 -0.413 2.327 0.919
53 HB2 ARG 6 HB2 ARG 6 -2.979 1.032 1.736
54 HB3 ARG 6 HB3 ARG 6 -1.823 1.482 2.982
55 HG2 ARG 6 HG2 ARG 6 -1.837 3.797 1.855
56 HG3 ARG 6 HG3 ARG 6 -3.325 3.239 1.085
57 HD2 ARG 6 HD2 ARG 6 -2.864 3.186 4.062
58 HD3 ARG 6 HD3 ARG 6 -3.631 4.532 3.220
59 HE ARG 6 HE ARG 6 -4.797 1.979 3.833
60 HH11 ARG 6 HH11 ARG 6 -4.912 4.744 1.723
61 HH12 ARG 6 HH12 ARG 6 -6.575 4.515 1.297
62 HH21 ARG 6 HH21 ARG 6 -6.988 1.666 3.279
63 HH22 ARG 6 HH22 ARG 6 -7.756 2.764 2.183
64 H GLY 7 H GLY 7 -1.503 -1.057 1.008
65 HA2 GLY 7 HA2 GLY 7 0.291 -1.977 2.950
66 HA3 GLY 7 HA3 GLY 7 -0.445 -2.970 1.701
67 H LYS 8 H LYS 8 0.611 -2.054 -0.597
68 HA LYS 8 HA LYS 8 3.085 -3.278 -0.763
69 HB2 LYS 8 HB2 LYS 8 1.659 -2.795 -2.708
70 HB3 LYS 8 HB3 LYS 8 2.001 -1.079 -2.534
71 HG2 LYS 8 HG2 LYS 8 3.321 -2.117 -4.315
72 HG3 LYS 8 HG3 LYS 8 4.338 -1.459 -3.030
73 HD2 LYS 8 HD2 LYS 8 4.799 -3.606 -2.163
74 HD3 LYS 8 HD3 LYS 8 3.504 -4.349 -3.103
75 HE2 LYS 8 HE2 LYS 8 5.756 -2.969 -4.501
76 HE3 LYS 8 HE3 LYS 8 5.988 -4.597 -3.864
77 HZ1 LYS 8 HZ1 LYS 8 4.956 -5.401 -5.631
78 HZ2 LYS 8 HZ2 LYS 8 3.558 -4.524 -5.257
79 HZ3 LYS 8 HZ3 LYS 8 4.746 -3.839 -6.249
80 H ALA 9 H ALA 9 2.324 0.130 -0.229
81 HA ALA 9 HA ALA 9 5.044 1.002 -0.312
82 HB1 ALA 9 HB1 ALA 9 2.578 2.249 -0.358
83 HB2 ALA 9 HB2 ALA 9 3.261 2.726 1.197
84 HB3 ALA 9 HB3 ALA 9 4.150 3.044 -0.293
85 H ASP 10 H ASP 10 2.800 0.059 2.237
86 HA ASP 10 HA ASP 10 4.233 0.894 4.467
87 HB2 ASP 10 HB2 ASP 10 1.897 -0.089 4.410
88 HB3 ASP 10 HB3 ASP 10 2.654 -1.675 4.324
89 H VAL 11 H VAL 11 4.527 -2.079 2.574
90 HA VAL 11 HA VAL 11 6.400 -3.369 4.241
91 HB VAL 11 HB VAL 11 6.027 -3.682 1.259
92 HG11 VAL 11 HG11 VAL 11 7.722 -5.040 3.245
93 HG12 VAL 11 HG12 VAL 11 6.826 -6.099 2.157
94 HG13 VAL 11 HG13 VAL 11 7.919 -4.880 1.499
95 HG21 VAL 11 HG21 VAL 11 4.905 -5.839 2.665
96 HG22 VAL 11 HG22 VAL 11 4.341 -4.376 3.471
97 HG23 VAL 11 HG23 VAL 11 4.060 -4.595 1.744
98 H ALA 12 H ALA 12 6.882 -1.532 1.221
99 HA ALA 12 HA ALA 12 8.672 -0.392 0.401
100 HB1 ALA 12 HB1 ALA 12 9.709 1.016 1.840
101 HB2 ALA 12 HB2 ALA 12 8.451 0.443 2.936
102 HB3 ALA 12 HB3 ALA 12 10.067 -0.259 3.004
103 H LEU 13 H LEU 13 8.751 -3.249 0.399
104 HA LEU 13 HA LEU 13 10.165 -4.983 -0.012
105 HB2 LEU 13 HB2 LEU 13 11.984 -2.649 -0.542
106 HB3 LEU 13 HB3 LEU 13 12.475 -4.320 -0.812
107 HG LEU 13 HG LEU 13 10.276 -4.341 -2.293
108 HD11 LEU 13 HD11 LEU 13 10.682 -1.873 -3.434
109 HD12 LEU 13 HD12 LEU 13 9.323 -2.330 -2.406
110 HD13 LEU 13 HD13 LEU 13 10.728 -1.527 -1.707
111 HD21 LEU 13 HD21 LEU 13 11.732 -3.641 -4.226
112 HD22 LEU 13 HD22 LEU 13 12.982 -3.257 -3.044
113 HD23 LEU 13 HD23 LEU 13 12.392 -4.912 -3.197
114 HN1 NH2 14 HN1 NH2 14 10.014 -5.626 2.223
115 HN2 NH2 14 HN2 NH2 14 11.356 -5.549 3.277
Start of MODEL 3
1 H1 ILE 1 H ILE 1 -9.061 -0.374 -4.013
2 HA ILE 1 HA ILE 1 -6.439 -0.993 -5.105
3 HB ILE 1 HB ILE 1 -7.999 1.586 -5.272
4 HG12 ILE 1 HG12 ILE 1 -8.193 0.597 -7.739
5 HG13 ILE 1 HG13 ILE 1 -8.059 -0.928 -6.872
6 HG21 ILE 1 HG21 ILE 1 -6.495 1.910 -7.289
7 HG22 ILE 1 HG22 ILE 1 -5.734 2.063 -5.705
8 HG23 ILE 1 HG23 ILE 1 -5.522 0.586 -6.648
9 HD11 ILE 1 HD11 ILE 1 -10.124 -0.766 -6.021
10 HD12 ILE 1 HD12 ILE 1 -9.992 0.971 -5.753
11 HD13 ILE 1 HD13 ILE 1 -10.378 0.354 -7.359
12 H PHE 2 H PHE 2 -7.849 1.468 -2.948
13 HA PHE 2 HA PHE 2 -5.496 2.745 -2.215
14 HB2 PHE 2 HB2 PHE 2 -8.163 2.397 -0.912
15 HB3 PHE 2 HB3 PHE 2 -6.852 3.106 0.025
16 HD1 PHE 2 HD1 PHE 2 -9.240 3.604 -2.650
17 HD2 PHE 2 HD2 PHE 2 -5.829 5.230 -0.692
18 HE1 PHE 2 HE1 PHE 2 -9.695 5.791 -3.681
19 HE2 PHE 2 HE2 PHE 2 -6.278 7.419 -1.719
20 HZ PHE 2 HZ PHE 2 -8.214 7.703 -3.216
21 H TRP 3 H TRP 3 -7.068 -0.065 -0.732
22 HA TRP 3 HA TRP 3 -5.272 -0.382 1.405
23 HB2 TRP 3 HB2 TRP 3 -7.561 -1.508 1.008
24 HB3 TRP 3 HB3 TRP 3 -6.663 -2.688 0.060
25 HD1 TRP 3 HD1 TRP 3 -4.798 -4.166 1.428
26 HE1 TRP 3 HE1 TRP 3 -4.773 -4.917 3.889
27 HE3 TRP 3 HE3 TRP 3 -8.218 -0.869 3.318
28 HZ2 TRP 3 HZ2 TRP 3 -6.036 -4.206 6.312
29 HZ3 TRP 3 HZ3 TRP 3 -8.754 -0.972 5.716
30 HH2 TRP 3 HH2 TRP 3 -7.686 -2.607 7.182
31 H LEU 4 H LEU 4 -5.420 -2.209 -1.661
32 HA LEU 4 HA LEU 4 -3.106 -3.684 -1.360
33 HB2 LEU 4 HB2 LEU 4 -4.908 -3.023 -3.476
34 HB3 LEU 4 HB3 LEU 4 -3.255 -2.939 -4.081
35 HG LEU 4 HG LEU 4 -4.334 -5.132 -4.455
36 HD11 LEU 4 HD11 LEU 4 -2.083 -5.426 -2.490
37 HD12 LEU 4 HD12 LEU 4 -2.448 -6.417 -3.902
38 HD13 LEU 4 HD13 LEU 4 -1.840 -4.774 -4.111
39 HD21 LEU 4 HD21 LEU 4 -5.231 -6.405 -2.823
40 HD22 LEU 4 HD22 LEU 4 -4.050 -5.889 -1.620
41 HD23 LEU 4 HD23 LEU 4 -5.421 -4.851 -2.011
42 H PHE 5 H PHE 5 -3.489 -0.402 -2.622
43 HA PHE 5 HA PHE 5 -0.790 -0.053 -3.398
44 HB2 PHE 5 HB2 PHE 5 -3.126 1.746 -2.944
45 HB3 PHE 5 HB3 PHE 5 -1.525 2.474 -3.022
46 HD1 PHE 5 HD1 PHE 5 -3.071 -0.342 -4.913
47 HD2 PHE 5 HD2 PHE 5 -1.308 3.529 -5.053
48 HE1 PHE 5 HE1 PHE 5 -3.176 -0.387 -7.370
49 HE2 PHE 5 HE2 PHE 5 -1.412 3.492 -7.511
50 HZ PHE 5 HZ PHE 5 -2.348 1.531 -8.673
51 H ARG 6 H ARG 6 -2.569 1.015 -0.504
52 HA ARG 6 HA ARG 6 -0.455 2.248 0.817
53 HB2 ARG 6 HB2 ARG 6 -2.993 0.949 1.730
54 HB3 ARG 6 HB3 ARG 6 -1.814 1.477 2.924
55 HG2 ARG 6 HG2 ARG 6 -2.677 3.387 0.810
56 HG3 ARG 6 HG3 ARG 6 -3.757 3.051 2.166
57 HD2 ARG 6 HD2 ARG 6 -2.549 4.867 2.934
58 HD3 ARG 6 HD3 ARG 6 -1.662 3.507 3.621
59 HE ARG 6 HE ARG 6 -0.646 4.333 1.074
60 HH11 ARG 6 HH11 ARG 6 -0.577 4.959 4.498
61 HH12 ARG 6 HH12 ARG 6 0.993 5.692 4.464
62 HH21 ARG 6 HH21 ARG 6 1.420 5.297 1.017
63 HH22 ARG 6 HH22 ARG 6 2.128 5.883 2.483
64 H GLY 7 H GLY 7 -1.463 -1.146 0.816
65 HA2 GLY 7 HA2 GLY 7 0.256 -2.087 2.814
66 HA3 GLY 7 HA3 GLY 7 -0.375 -3.052 1.488
67 H LYS 8 H LYS 8 0.769 -2.029 -0.712
68 HA LYS 8 HA LYS 8 3.314 -3.141 -0.744
69 HB2 LYS 8 HB2 LYS 8 1.688 -2.411 -2.679
70 HB3 LYS 8 HB3 LYS 8 2.631 -0.926 -2.637
71 HG2 LYS 8 HG2 LYS 8 4.676 -2.236 -3.007
72 HG3 LYS 8 HG3 LYS 8 3.698 -3.704 -3.106
73 HD2 LYS 8 HD2 LYS 8 3.971 -3.136 -5.335
74 HD3 LYS 8 HD3 LYS 8 2.408 -2.413 -4.951
75 HE2 LYS 8 HE2 LYS 8 3.566 -0.748 -6.127
76 HE3 LYS 8 HE3 LYS 8 3.710 -0.284 -4.432
77 HZ1 LYS 8 HZ1 LYS 8 5.842 -1.987 -5.333
78 HZ2 LYS 8 HZ2 LYS 8 5.768 -0.522 -6.176
79 HZ3 LYS 8 HZ3 LYS 8 5.912 -0.521 -4.491
80 H ALA 9 H ALA 9 2.310 0.183 -0.167
81 HA ALA 9 HA ALA 9 4.925 1.303 -0.217
82 HB1 ALA 9 HB1 ALA 9 3.353 2.940 1.401
83 HB2 ALA 9 HB2 ALA 9 3.647 3.118 -0.329
84 HB3 ALA 9 HB3 ALA 9 2.232 2.230 0.239
85 H ASP 10 H ASP 10 2.815 0.128 2.374
86 HA ASP 10 HA ASP 10 4.297 0.904 4.580
87 HB2 ASP 10 HB2 ASP 10 2.041 -0.140 4.664
88 HB3 ASP 10 HB3 ASP 10 2.776 -1.693 4.279
89 H VAL 11 H VAL 11 4.439 -2.279 2.969
90 HA VAL 11 HA VAL 11 6.647 -3.243 4.399
91 HB VAL 11 HB VAL 11 5.238 -4.751 3.135
92 HG11 VAL 11 HG11 VAL 11 6.363 -3.490 0.638
93 HG12 VAL 11 HG12 VAL 11 5.196 -4.808 0.724
94 HG13 VAL 11 HG13 VAL 11 4.744 -3.194 1.273
95 HG21 VAL 11 HG21 VAL 11 6.917 -6.153 2.182
96 HG22 VAL 11 HG22 VAL 11 7.984 -4.779 1.894
97 HG23 VAL 11 HG23 VAL 11 7.647 -5.305 3.545
98 H ALA 12 H ALA 12 6.437 -1.326 1.457
99 HA ALA 12 HA ALA 12 9.184 -1.530 0.751
100 HB1 ALA 12 HB1 ALA 12 6.896 0.170 -0.098
101 HB2 ALA 12 HB2 ALA 12 8.530 0.683 -0.518
102 HB3 ALA 12 HB3 ALA 12 7.935 -0.888 -1.052
103 H LEU 13 H LEU 13 10.762 -0.828 2.036
104 HA LEU 13 HA LEU 13 10.496 1.066 4.078
105 HB2 LEU 13 HB2 LEU 13 12.297 -0.657 3.847
106 HB3 LEU 13 HB3 LEU 13 13.035 0.366 2.616
107 HG LEU 13 HG LEU 13 12.524 1.484 5.339
108 HD11 LEU 13 HD11 LEU 13 14.290 0.463 6.340
109 HD12 LEU 13 HD12 LEU 13 13.785 -0.848 5.274
110 HD13 LEU 13 HD13 LEU 13 15.138 0.186 4.819
111 HD21 LEU 13 HD21 LEU 13 13.343 3.160 4.032
112 HD22 LEU 13 HD22 LEU 13 14.867 2.465 4.581
113 HD23 LEU 13 HD23 LEU 13 14.239 2.060 2.984
114 HN1 NH2 14 HN1 NH2 14 10.445 3.216 4.080
115 HN2 NH2 14 HN2 NH2 14 10.887 4.274 2.815
Start of MODEL 4
1 H1 ILE 1 H ILE 1 -5.647 -1.729 -4.880
2 HA ILE 1 HA ILE 1 -7.688 0.239 -4.983
3 HB ILE 1 HB ILE 1 -8.849 -0.444 -2.862
4 HG12 ILE 1 HG12 ILE 1 -7.714 -3.174 -3.491
5 HG13 ILE 1 HG13 ILE 1 -7.088 -2.127 -2.222
6 HG21 ILE 1 HG21 ILE 1 -9.451 -2.581 -4.820
7 HG22 ILE 1 HG22 ILE 1 -10.523 -1.414 -4.046
8 HG23 ILE 1 HG23 ILE 1 -9.513 -0.917 -5.403
9 HD11 ILE 1 HD11 ILE 1 -9.947 -3.035 -2.328
10 HD12 ILE 1 HD12 ILE 1 -8.677 -3.926 -1.489
11 HD13 ILE 1 HD13 ILE 1 -9.088 -2.288 -0.980
12 H PHE 2 H PHE 2 -7.854 1.323 -2.669
13 HA PHE 2 HA PHE 2 -5.377 2.408 -2.073
14 HB2 PHE 2 HB2 PHE 2 -6.421 3.367 -0.095
15 HB3 PHE 2 HB3 PHE 2 -7.539 3.436 -1.453
16 HD1 PHE 2 HD1 PHE 2 -6.908 2.094 1.849
17 HD2 PHE 2 HD2 PHE 2 -9.460 1.896 -1.552
18 HE1 PHE 2 HE1 PHE 2 -8.609 0.937 3.197
19 HE2 PHE 2 HE2 PHE 2 -11.166 0.739 -0.209
20 HZ PHE 2 HZ PHE 2 -10.741 0.256 2.169
21 H TRP 3 H TRP 3 -6.999 -0.376 -0.670
22 HA TRP 3 HA TRP 3 -5.312 -0.755 1.545
23 HB2 TRP 3 HB2 TRP 3 -7.541 -1.884 1.096
24 HB3 TRP 3 HB3 TRP 3 -6.679 -2.960 0.000
25 HD1 TRP 3 HD1 TRP 3 -5.289 -4.916 1.056
26 HE1 TRP 3 HE1 TRP 3 -5.024 -5.810 3.455
27 HE3 TRP 3 HE3 TRP 3 -7.460 -1.053 3.607
28 HZ2 TRP 3 HZ2 TRP 3 -5.652 -4.987 6.081
29 HZ3 TRP 3 HZ3 TRP 3 -7.588 -1.184 6.059
30 HH2 TRP 3 HH2 TRP 3 -6.703 -3.112 7.269
31 H LEU 4 H LEU 4 -5.061 -1.802 -1.809
32 HA LEU 4 HA LEU 4 -2.748 -3.438 -1.351
33 HB2 LEU 4 HB2 LEU 4 -4.127 -4.060 -3.162
34 HB3 LEU 4 HB3 LEU 4 -4.125 -2.426 -3.821
35 HG LEU 4 HG LEU 4 -1.684 -2.739 -4.324
36 HD11 LEU 4 HD11 LEU 4 -1.077 -5.233 -4.532
37 HD12 LEU 4 HD12 LEU 4 -0.959 -4.465 -2.950
38 HD13 LEU 4 HD13 LEU 4 -2.346 -5.486 -3.335
39 HD21 LEU 4 HD21 LEU 4 -2.106 -4.189 -6.292
40 HD22 LEU 4 HD22 LEU 4 -3.690 -4.579 -5.621
41 HD23 LEU 4 HD23 LEU 4 -3.314 -2.919 -6.083
42 H PHE 5 H PHE 5 -3.317 -0.272 -2.870
43 HA PHE 5 HA PHE 5 -0.683 0.313 -3.553
44 HB2 PHE 5 HB2 PHE 5 -2.577 1.640 -4.349
45 HB3 PHE 5 HB3 PHE 5 -2.881 2.216 -2.713
46 HD1 PHE 5 HD1 PHE 5 0.255 1.893 -4.700
47 HD2 PHE 5 HD2 PHE 5 -2.434 4.469 -2.639
48 HE1 PHE 5 HE1 PHE 5 1.776 3.788 -5.091
49 HE2 PHE 5 HE2 PHE 5 -0.918 6.368 -3.027
50 HZ PHE 5 HZ PHE 5 1.189 6.029 -4.257
51 H ARG 6 H ARG 6 -2.456 1.099 -0.574
52 HA ARG 6 HA ARG 6 -0.307 2.413 0.702
53 HB2 ARG 6 HB2 ARG 6 -2.756 2.543 1.328
54 HB3 ARG 6 HB3 ARG 6 -2.570 0.962 2.075
55 HG2 ARG 6 HG2 ARG 6 -0.965 1.834 3.639
56 HG3 ARG 6 HG3 ARG 6 -0.982 3.403 2.832
57 HD2 ARG 6 HD2 ARG 6 -3.315 2.101 4.232
58 HD3 ARG 6 HD3 ARG 6 -2.342 3.430 4.862
59 HE ARG 6 HE ARG 6 -4.463 3.601 2.947
60 HH11 ARG 6 HH11 ARG 6 -1.502 5.075 4.037
61 HH12 ARG 6 HH12 ARG 6 -1.908 6.646 3.430
62 HH21 ARG 6 HH21 ARG 6 -5.008 5.666 2.144
63 HH22 ARG 6 HH22 ARG 6 -3.903 6.982 2.354
64 H GLY 7 H GLY 7 -1.528 -0.921 0.957
65 HA2 GLY 7 HA2 GLY 7 0.232 -1.862 2.894
66 HA3 GLY 7 HA3 GLY 7 -0.497 -2.854 1.639
67 H LYS 8 H LYS 8 0.617 -2.042 -0.645
68 HA LYS 8 HA LYS 8 3.101 -3.274 -0.696
69 HB2 LYS 8 HB2 LYS 8 1.806 -1.318 -2.590
70 HB3 LYS 8 HB3 LYS 8 3.368 -2.054 -2.929
71 HG2 LYS 8 HG2 LYS 8 1.060 -3.810 -2.252
72 HG3 LYS 8 HG3 LYS 8 1.162 -3.097 -3.863
73 HD2 LYS 8 HD2 LYS 8 2.312 -5.039 -4.226
74 HD3 LYS 8 HD3 LYS 8 3.643 -3.998 -3.716
75 HE2 LYS 8 HE2 LYS 8 3.848 -5.025 -1.681
76 HE3 LYS 8 HE3 LYS 8 2.149 -5.495 -1.626
77 HZ1 LYS 8 HZ1 LYS 8 3.394 -7.456 -1.947
78 HZ2 LYS 8 HZ2 LYS 8 2.694 -7.106 -3.447
79 HZ3 LYS 8 HZ3 LYS 8 4.329 -6.769 -3.177
80 H ALA 9 H ALA 9 2.279 0.117 -0.256
81 HA ALA 9 HA ALA 9 4.978 1.055 -0.428
82 HB1 ALA 9 HB1 ALA 9 3.696 3.042 0.881
83 HB2 ALA 9 HB2 ALA 9 3.668 2.832 -0.872
84 HB3 ALA 9 HB3 ALA 9 2.335 2.226 0.111
85 H ASP 10 H ASP 10 2.804 0.111 2.176
86 HA ASP 10 HA ASP 10 4.321 1.046 4.342
87 HB2 ASP 10 HB2 ASP 10 2.028 0.335 4.651
88 HB3 ASP 10 HB3 ASP 10 2.430 -1.305 4.152
89 H VAL 11 H VAL 11 4.175 -2.246 2.975
90 HA VAL 11 HA VAL 11 6.141 -3.416 4.533
91 HB VAL 11 HB VAL 11 6.499 -4.987 2.610
92 HG11 VAL 11 HG11 VAL 11 3.678 -5.148 2.591
93 HG12 VAL 11 HG12 VAL 11 4.817 -6.060 3.582
94 HG13 VAL 11 HG13 VAL 11 4.158 -4.535 4.174
95 HG21 VAL 11 HG21 VAL 11 4.938 -4.749 0.685
96 HG22 VAL 11 HG22 VAL 11 4.533 -3.135 1.269
97 HG23 VAL 11 HG23 VAL 11 6.180 -3.499 0.753
98 H ALA 12 H ALA 12 6.471 -1.490 1.597
99 HA ALA 12 HA ALA 12 9.139 -1.933 0.999
100 HB1 ALA 12 HB1 ALA 12 8.285 -0.643 -0.633
101 HB2 ALA 12 HB2 ALA 12 7.189 0.198 0.462
102 HB3 ALA 12 HB3 ALA 12 8.881 0.687 0.359
103 H LEU 13 H LEU 13 10.967 -1.569 2.060
104 HA LEU 13 HA LEU 13 12.430 -0.870 3.659
105 HB2 LEU 13 HB2 LEU 13 10.961 1.733 3.268
106 HB3 LEU 13 HB3 LEU 13 12.540 1.547 4.029
107 HG LEU 13 HG LEU 13 11.879 1.033 1.130
108 HD11 LEU 13 HD11 LEU 13 12.060 3.286 1.135
109 HD12 LEU 13 HD12 LEU 13 12.992 3.321 2.631
110 HD13 LEU 13 HD13 LEU 13 13.783 2.911 1.109
111 HD21 LEU 13 HD21 LEU 13 14.415 0.664 2.708
112 HD22 LEU 13 HD22 LEU 13 13.550 -0.528 1.738
113 HD23 LEU 13 HD23 LEU 13 14.384 0.810 0.950
114 HN1 NH2 14 HN1 NH2 14 10.229 -2.177 4.710
115 HN2 NH2 14 HN2 NH2 14 9.818 -1.554 6.246
Start of MODEL 5
1 H1 ILE 1 H ILE 1 -8.404 0.404 -6.293
2 HA ILE 1 HA ILE 1 -7.467 -1.031 -4.466
3 HB ILE 1 HB ILE 1 -5.233 -1.413 -5.483
4 HG12 ILE 1 HG12 ILE 1 -5.965 0.759 -7.444
5 HG13 ILE 1 HG13 ILE 1 -4.933 1.061 -6.052
6 HG21 ILE 1 HG21 ILE 1 -6.103 -2.505 -7.284
7 HG22 ILE 1 HG22 ILE 1 -7.598 -2.127 -6.428
8 HG23 ILE 1 HG23 ILE 1 -7.083 -1.127 -7.787
9 HD11 ILE 1 HD11 ILE 1 -3.174 -0.024 -6.953
10 HD12 ILE 1 HD12 ILE 1 -4.185 -1.204 -7.787
11 HD13 ILE 1 HD13 ILE 1 -3.988 0.417 -8.453
12 H PHE 2 H PHE 2 -7.728 1.331 -3.091
13 HA PHE 2 HA PHE 2 -5.261 2.517 -2.361
14 HB2 PHE 2 HB2 PHE 2 -7.929 2.420 -0.947
15 HB3 PHE 2 HB3 PHE 2 -6.562 3.380 -0.391
16 HD1 PHE 2 HD1 PHE 2 -9.459 3.345 -2.402
17 HD2 PHE 2 HD2 PHE 2 -5.572 5.055 -2.110
18 HE1 PHE 2 HE1 PHE 2 -10.162 5.186 -3.877
19 HE2 PHE 2 HE2 PHE 2 -6.269 6.897 -3.583
20 HZ PHE 2 HZ PHE 2 -8.566 6.966 -4.468
21 H TRP 3 H TRP 3 -7.293 0.079 -0.751
22 HA TRP 3 HA TRP 3 -5.755 -0.366 1.497
23 HB2 TRP 3 HB2 TRP 3 -7.453 -2.267 -0.121
24 HB3 TRP 3 HB3 TRP 3 -6.712 -2.720 1.411
25 HD1 TRP 3 HD1 TRP 3 -9.246 -0.140 0.031
26 HE1 TRP 3 HE1 TRP 3 -10.898 0.439 1.919
27 HE3 TRP 3 HE3 TRP 3 -7.106 -2.809 3.830
28 HZ2 TRP 3 HZ2 TRP 3 -11.248 -0.157 4.655
29 HZ3 TRP 3 HZ3 TRP 3 -8.162 -2.751 6.051
30 HH2 TRP 3 HH2 TRP 3 -10.189 -1.452 6.455
31 H LEU 4 H LEU 4 -5.471 -1.910 -1.689
32 HA LEU 4 HA LEU 4 -3.253 -3.541 -0.946
33 HB2 LEU 4 HB2 LEU 4 -4.568 -4.314 -2.737
34 HB3 LEU 4 HB3 LEU 4 -4.482 -2.765 -3.573
35 HG LEU 4 HG LEU 4 -2.107 -3.181 -4.062
36 HD11 LEU 4 HD11 LEU 4 -1.857 -5.929 -3.653
37 HD12 LEU 4 HD12 LEU 4 -0.996 -4.639 -2.812
38 HD13 LEU 4 HD13 LEU 4 -2.491 -5.289 -2.137
39 HD21 LEU 4 HD21 LEU 4 -3.950 -5.412 -4.917
40 HD22 LEU 4 HD22 LEU 4 -3.819 -3.827 -5.679
41 HD23 LEU 4 HD23 LEU 4 -2.452 -4.940 -5.719
42 H PHE 5 H PHE 5 -3.593 -0.472 -2.684
43 HA PHE 5 HA PHE 5 -0.960 -0.095 -3.463
44 HB2 PHE 5 HB2 PHE 5 -2.725 1.377 -4.231
45 HB3 PHE 5 HB3 PHE 5 -3.004 1.955 -2.592
46 HD1 PHE 5 HD1 PHE 5 -0.709 2.036 -5.457
47 HD2 PHE 5 HD2 PHE 5 -1.602 3.614 -1.607
48 HE1 PHE 5 HE1 PHE 5 0.916 3.846 -5.826
49 HE2 PHE 5 HE2 PHE 5 0.021 5.427 -1.969
50 HZ PHE 5 HZ PHE 5 1.282 5.546 -4.082
51 H ARG 6 H ARG 6 -2.518 1.082 -0.480
52 HA ARG 6 HA ARG 6 -0.287 2.231 0.700
53 HB2 ARG 6 HB2 ARG 6 -2.483 2.579 1.624
54 HB3 ARG 6 HB3 ARG 6 -2.662 0.864 1.969
55 HG2 ARG 6 HG2 ARG 6 -2.193 2.058 4.003
56 HG3 ARG 6 HG3 ARG 6 -0.821 1.026 3.596
57 HD2 ARG 6 HD2 ARG 6 0.271 3.016 2.557
58 HD3 ARG 6 HD3 ARG 6 -1.055 4.001 3.176
59 HE ARG 6 HE ARG 6 1.172 2.981 4.656
60 HH11 ARG 6 HH11 ARG 6 -2.158 3.969 4.873
61 HH12 ARG 6 HH12 ARG 6 -2.068 4.363 6.558
62 HH21 ARG 6 HH21 ARG 6 1.305 3.495 6.876
63 HH22 ARG 6 HH22 ARG 6 -0.098 4.094 7.696
64 H GLY 7 H GLY 7 -1.344 -1.134 0.685
65 HA2 GLY 7 HA2 GLY 7 0.314 -2.201 2.630
66 HA3 GLY 7 HA3 GLY 7 -0.215 -3.067 1.194
67 H LYS 8 H LYS 8 1.034 -1.947 -0.855
68 HA LYS 8 HA LYS 8 3.617 -2.963 -0.770
69 HB2 LYS 8 HB2 LYS 8 2.113 -2.271 -2.786
70 HB3 LYS 8 HB3 LYS 8 2.902 -0.708 -2.618
71 HG2 LYS 8 HG2 LYS 8 4.510 -3.221 -2.842
72 HG3 LYS 8 HG3 LYS 8 3.871 -2.413 -4.276
73 HD2 LYS 8 HD2 LYS 8 4.959 -0.295 -3.114
74 HD3 LYS 8 HD3 LYS 8 5.975 -1.531 -2.367
75 HE2 LYS 8 HE2 LYS 8 6.917 -2.156 -4.367
76 HE3 LYS 8 HE3 LYS 8 5.529 -1.619 -5.312
77 HZ1 LYS 8 HZ1 LYS 8 6.993 0.027 -5.800
78 HZ2 LYS 8 HZ2 LYS 8 6.317 0.706 -4.406
79 HZ3 LYS 8 HZ3 LYS 8 7.811 -0.083 -4.323
80 H ALA 9 H ALA 9 2.481 0.348 -0.266
81 HA ALA 9 HA ALA 9 5.032 1.549 -0.082
82 HB1 ALA 9 HB1 ALA 9 2.880 2.758 -0.458
83 HB2 ALA 9 HB2 ALA 9 2.501 2.502 1.245
84 HB3 ALA 9 HB3 ALA 9 3.905 3.467 0.789
85 H ASP 10 H ASP 10 2.926 0.019 2.288
86 HA ASP 10 HA ASP 10 4.343 0.822 4.597
87 HB2 ASP 10 HB2 ASP 10 2.063 -0.032 4.735
88 HB3 ASP 10 HB3 ASP 10 2.592 -1.601 4.132
89 H VAL 11 H VAL 11 4.353 -2.304 2.876
90 HA VAL 11 HA VAL 11 6.409 -3.493 4.338
91 HB VAL 11 HB VAL 11 6.727 -4.977 2.365
92 HG11 VAL 11 HG11 VAL 11 5.104 -6.042 3.460
93 HG12 VAL 11 HG12 VAL 11 4.277 -4.534 3.854
94 HG13 VAL 11 HG13 VAL 11 3.982 -5.323 2.303
95 HG21 VAL 11 HG21 VAL 11 5.108 -4.677 0.473
96 HG22 VAL 11 HG22 VAL 11 4.763 -3.069 1.109
97 HG23 VAL 11 HG23 VAL 11 6.388 -3.467 0.550
98 H ALA 12 H ALA 12 6.520 -1.368 1.535
99 HA ALA 12 HA ALA 12 9.382 -0.986 1.997
100 HB1 ALA 12 HB1 ALA 12 8.324 -2.443 -0.211
101 HB2 ALA 12 HB2 ALA 12 9.039 -0.945 -0.808
102 HB3 ALA 12 HB3 ALA 12 10.005 -2.060 0.160
103 H LEU 13 H LEU 13 9.870 1.107 2.043
104 HA LEU 13 HA LEU 13 7.893 3.085 1.448
105 HB2 LEU 13 HB2 LEU 13 9.462 4.676 2.261
106 HB3 LEU 13 HB3 LEU 13 9.551 3.252 3.295
107 HG LEU 13 HG LEU 13 11.552 2.664 1.638
108 HD11 LEU 13 HD11 LEU 13 12.230 4.324 0.339
109 HD12 LEU 13 HD12 LEU 13 10.885 5.314 0.905
110 HD13 LEU 13 HD13 LEU 13 12.432 5.365 1.748
111 HD21 LEU 13 HD21 LEU 13 12.933 4.195 3.343
112 HD22 LEU 13 HD22 LEU 13 11.376 4.179 4.173
113 HD23 LEU 13 HD23 LEU 13 12.197 2.661 3.809
114 HN1 NH2 14 HN1 NH2 14 10.841 1.942 -0.100
115 HN2 NH2 14 HN2 NH2 14 10.705 2.814 -1.563
Start of MODEL 6
1 H1 ILE 1 H ILE 1 -8.850 0.325 -3.958
2 HA ILE 1 HA ILE 1 -6.430 -0.903 -5.108
3 HB ILE 1 HB ILE 1 -7.501 0.487 -6.784
4 HG12 ILE 1 HG12 ILE 1 -5.213 2.164 -5.811
5 HG13 ILE 1 HG13 ILE 1 -4.927 0.497 -6.297
6 HG21 ILE 1 HG21 ILE 1 -7.226 2.788 -4.858
7 HG22 ILE 1 HG22 ILE 1 -7.936 2.827 -6.471
8 HG23 ILE 1 HG23 ILE 1 -8.732 1.929 -5.178
9 HD11 ILE 1 HD11 ILE 1 -6.208 1.222 -8.452
10 HD12 ILE 1 HD12 ILE 1 -5.732 2.841 -7.938
11 HD13 ILE 1 HD13 ILE 1 -4.501 1.614 -8.244
12 H PHE 2 H PHE 2 -7.751 1.539 -2.949
13 HA PHE 2 HA PHE 2 -5.372 2.726 -2.099
14 HB2 PHE 2 HB2 PHE 2 -7.952 2.271 -0.589
15 HB3 PHE 2 HB3 PHE 2 -6.651 3.318 -0.034
16 HD1 PHE 2 HD1 PHE 2 -9.231 2.852 -2.617
17 HD2 PHE 2 HD2 PHE 2 -6.343 5.490 -0.939
18 HE1 PHE 2 HE1 PHE 2 -10.189 4.716 -3.906
19 HE2 PHE 2 HE2 PHE 2 -7.297 7.358 -2.225
20 HZ PHE 2 HZ PHE 2 -9.221 6.973 -3.713
21 H TRP 3 H TRP 3 -7.183 0.053 -0.589
22 HA TRP 3 HA TRP 3 -5.404 -0.481 1.481
23 HB2 TRP 3 HB2 TRP 3 -6.396 -2.790 1.449
24 HB3 TRP 3 HB3 TRP 3 -7.580 -1.487 1.498
25 HD1 TRP 3 HD1 TRP 3 -9.207 -1.231 -0.564
26 HE1 TRP 3 HE1 TRP 3 -9.714 -2.725 -2.597
27 HE3 TRP 3 HE3 TRP 3 -5.249 -4.448 -0.215
28 HZ2 TRP 3 HZ2 TRP 3 -8.586 -4.971 -3.883
29 HZ3 TRP 3 HZ3 TRP 3 -5.037 -6.242 -1.887
30 HH2 TRP 3 HH2 TRP 3 -6.671 -6.496 -3.681
31 H LEU 4 H LEU 4 -5.367 -1.538 -1.874
32 HA LEU 4 HA LEU 4 -3.304 -3.459 -1.598
33 HB2 LEU 4 HB2 LEU 4 -4.998 -3.004 -3.536
34 HB3 LEU 4 HB3 LEU 4 -3.731 -1.933 -4.127
35 HG LEU 4 HG LEU 4 -3.274 -4.852 -3.547
36 HD11 LEU 4 HD11 LEU 4 -4.693 -5.178 -5.272
37 HD12 LEU 4 HD12 LEU 4 -4.519 -3.529 -5.873
38 HD13 LEU 4 HD13 LEU 4 -3.277 -4.731 -6.226
39 HD21 LEU 4 HD21 LEU 4 -1.668 -2.607 -4.560
40 HD22 LEU 4 HD22 LEU 4 -1.168 -4.085 -3.739
41 HD23 LEU 4 HD23 LEU 4 -1.521 -4.112 -5.467
42 H PHE 5 H PHE 5 -3.205 -0.180 -3.009
43 HA PHE 5 HA PHE 5 -0.465 0.005 -3.344
44 HB2 PHE 5 HB2 PHE 5 -2.335 1.629 -4.076
45 HB3 PHE 5 HB3 PHE 5 -2.117 2.371 -2.494
46 HD1 PHE 5 HD1 PHE 5 -0.260 1.418 -5.567
47 HD2 PHE 5 HD2 PHE 5 -0.477 3.977 -2.171
48 HE1 PHE 5 HE1 PHE 5 1.611 2.747 -6.453
49 HE2 PHE 5 HE2 PHE 5 1.393 5.311 -3.054
50 HZ PHE 5 HZ PHE 5 2.440 4.696 -5.196
51 H ARG 6 H ARG 6 -2.388 1.092 -0.551
52 HA ARG 6 HA ARG 6 -0.344 2.073 1.028
53 HB2 ARG 6 HB2 ARG 6 -2.958 0.752 1.705
54 HB3 ARG 6 HB3 ARG 6 -1.862 1.289 2.971
55 HG2 ARG 6 HG2 ARG 6 -2.869 3.107 0.801
56 HG3 ARG 6 HG3 ARG 6 -3.696 2.890 2.344
57 HD2 ARG 6 HD2 ARG 6 -1.330 3.430 3.334
58 HD3 ARG 6 HD3 ARG 6 -1.068 4.173 1.757
59 HE ARG 6 HE ARG 6 -2.709 5.168 3.883
60 HH11 ARG 6 HH11 ARG 6 -2.252 5.130 0.433
61 HH12 ARG 6 HH12 ARG 6 -3.064 6.638 0.176
62 HH21 ARG 6 HH21 ARG 6 -3.780 7.155 3.559
63 HH22 ARG 6 HH22 ARG 6 -3.932 7.790 1.957
64 H GLY 7 H GLY 7 -1.567 -1.260 0.839
65 HA2 GLY 7 HA2 GLY 7 -0.016 -2.422 2.821
66 HA3 GLY 7 HA3 GLY 7 -0.572 -3.258 1.379
67 H LYS 8 H LYS 8 0.783 -2.186 -0.646
68 HA LYS 8 HA LYS 8 3.337 -3.335 -0.430
69 HB2 LYS 8 HB2 LYS 8 2.138 -1.452 -2.458
70 HB3 LYS 8 HB3 LYS 8 3.759 -2.115 -2.624
71 HG2 LYS 8 HG2 LYS 8 1.334 -3.855 -2.298
72 HG3 LYS 8 HG3 LYS 8 1.905 -3.299 -3.872
73 HD2 LYS 8 HD2 LYS 8 3.835 -4.557 -3.767
74 HD3 LYS 8 HD3 LYS 8 3.826 -4.614 -2.001
75 HE2 LYS 8 HE2 LYS 8 1.732 -5.987 -3.666
76 HE3 LYS 8 HE3 LYS 8 3.254 -6.767 -3.239
77 HZ1 LYS 8 HZ1 LYS 8 1.052 -5.928 -1.465
78 HZ2 LYS 8 HZ2 LYS 8 1.809 -7.437 -1.579
79 HZ3 LYS 8 HZ3 LYS 8 2.617 -6.138 -0.855
80 H ALA 9 H ALA 9 2.355 0.085 -0.538
81 HA ALA 9 HA ALA 9 4.863 1.251 -0.358
82 HB1 ALA 9 HB1 ALA 9 3.783 3.242 0.229
83 HB2 ALA 9 HB2 ALA 9 2.583 2.356 -0.712
84 HB3 ALA 9 HB3 ALA 9 2.472 2.395 1.047
85 H ASP 10 H ASP 10 2.769 0.034 2.213
86 HA ASP 10 HA ASP 10 4.203 0.986 4.413
87 HB2 ASP 10 HB2 ASP 10 2.042 0.086 4.810
88 HB3 ASP 10 HB3 ASP 10 2.459 -1.446 4.044
89 H VAL 11 H VAL 11 4.641 -1.913 2.455
90 HA VAL 11 HA VAL 11 6.457 -3.312 3.999
91 HB VAL 11 HB VAL 11 6.512 -3.056 0.990
92 HG11 VAL 11 HG11 VAL 11 8.532 -4.072 1.991
93 HG12 VAL 11 HG12 VAL 11 7.510 -5.287 2.757
94 HG13 VAL 11 HG13 VAL 11 7.614 -5.204 0.999
95 HG21 VAL 11 HG21 VAL 11 4.867 -4.743 2.846
96 HG22 VAL 11 HG22 VAL 11 4.336 -3.744 1.493
97 HG23 VAL 11 HG23 VAL 11 5.199 -5.252 1.190
98 H ALA 12 H ALA 12 7.217 -0.936 1.450
99 HA ALA 12 HA ALA 12 9.692 -0.294 2.892
100 HB1 ALA 12 HB1 ALA 12 10.540 -0.006 0.350
101 HB2 ALA 12 HB2 ALA 12 10.782 -1.468 1.306
102 HB3 ALA 12 HB3 ALA 12 9.441 -1.372 0.163
103 H LEU 13 H LEU 13 9.479 1.768 3.460
104 HA LEU 13 HA LEU 13 7.887 3.604 1.896
105 HB2 LEU 13 HB2 LEU 13 8.329 5.194 3.669
106 HB3 LEU 13 HB3 LEU 13 7.796 3.652 4.333
107 HG LEU 13 HG LEU 13 10.423 3.279 4.542
108 HD11 LEU 13 HD11 LEU 13 10.660 5.997 5.434
109 HD12 LEU 13 HD12 LEU 13 11.693 5.085 4.332
110 HD13 LEU 13 HD13 LEU 13 10.286 5.951 3.711
111 HD21 LEU 13 HD21 LEU 13 9.073 5.032 6.563
112 HD22 LEU 13 HD22 LEU 13 8.543 3.371 6.296
113 HD23 LEU 13 HD23 LEU 13 10.194 3.695 6.821
114 HN1 NH2 14 HN1 NH2 14 11.291 3.079 2.646
115 HN2 NH2 14 HN2 NH2 14 11.959 4.191 1.535
Start of MODEL 7
1 H1 ILE 1 H ILE 1 -5.982 -1.095 -6.037
2 HA ILE 1 HA ILE 1 -8.183 0.375 -4.746
3 HB ILE 1 HB ILE 1 -6.960 -2.242 -3.868
4 HG12 ILE 1 HG12 ILE 1 -9.435 -2.939 -4.567
5 HG13 ILE 1 HG13 ILE 1 -9.238 -1.584 -5.673
6 HG21 ILE 1 HG21 ILE 1 -9.545 -1.867 -2.824
7 HG22 ILE 1 HG22 ILE 1 -8.013 -1.871 -1.951
8 HG23 ILE 1 HG23 ILE 1 -8.672 -0.355 -2.569
9 HD11 ILE 1 HD11 ILE 1 -6.970 -3.414 -5.649
10 HD12 ILE 1 HD12 ILE 1 -8.485 -4.153 -6.166
11 HD13 ILE 1 HD13 ILE 1 -7.868 -2.729 -7.003
12 H PHE 2 H PHE 2 -7.803 1.583 -2.973
13 HA PHE 2 HA PHE 2 -5.233 2.492 -2.382
14 HB2 PHE 2 HB2 PHE 2 -7.865 2.673 -0.949
15 HB3 PHE 2 HB3 PHE 2 -6.402 3.299 -0.195
16 HD1 PHE 2 HD1 PHE 2 -8.281 3.485 -3.409
17 HD2 PHE 2 HD2 PHE 2 -5.813 5.487 -0.578
18 HE1 PHE 2 HE1 PHE 2 -8.531 5.579 -4.676
19 HE2 PHE 2 HE2 PHE 2 -6.061 7.585 -1.840
20 HZ PHE 2 HZ PHE 2 -7.420 7.632 -3.892
21 H TRP 3 H TRP 3 -7.158 -0.056 -0.908
22 HA TRP 3 HA TRP 3 -5.663 -0.524 1.387
23 HB2 TRP 3 HB2 TRP 3 -7.854 -1.586 0.851
24 HB3 TRP 3 HB3 TRP 3 -7.031 -2.616 -0.317
25 HD1 TRP 3 HD1 TRP 3 -7.006 -1.917 3.493
26 HE1 TRP 3 HE1 TRP 3 -6.330 -4.093 4.694
27 HE3 TRP 3 HE3 TRP 3 -6.026 -4.830 -0.591
28 HZ2 TRP 3 HZ2 TRP 3 -5.492 -6.697 4.002
29 HZ3 TRP 3 HZ3 TRP 3 -5.292 -7.151 -0.237
30 HH2 TRP 3 HH2 TRP 3 -5.030 -8.064 2.014
31 H LEU 4 H LEU 4 -5.195 -1.748 -1.900
32 HA LEU 4 HA LEU 4 -2.925 -3.352 -1.180
33 HB2 LEU 4 HB2 LEU 4 -4.193 -4.109 -3.020
34 HB3 LEU 4 HB3 LEU 4 -4.149 -2.528 -3.797
35 HG LEU 4 HG LEU 4 -1.810 -2.819 -4.342
36 HD11 LEU 4 HD11 LEU 4 -0.626 -4.043 -2.891
37 HD12 LEU 4 HD12 LEU 4 -2.026 -5.000 -2.404
38 HD13 LEU 4 HD13 LEU 4 -1.138 -5.416 -3.870
39 HD21 LEU 4 HD21 LEU 4 -3.053 -5.424 -5.110
40 HD22 LEU 4 HD22 LEU 4 -3.758 -3.912 -5.680
41 HD23 LEU 4 HD23 LEU 4 -2.088 -4.312 -6.080
42 H PHE 5 H PHE 5 -3.426 -0.224 -2.760
43 HA PHE 5 HA PHE 5 -0.798 0.325 -3.488
44 HB2 PHE 5 HB2 PHE 5 -3.204 1.976 -2.892
45 HB3 PHE 5 HB3 PHE 5 -1.650 2.801 -2.958
46 HD1 PHE 5 HD1 PHE 5 -3.276 0.091 -4.948
47 HD2 PHE 5 HD2 PHE 5 -1.323 3.873 -4.951
48 HE1 PHE 5 HE1 PHE 5 -3.426 0.164 -7.404
49 HE2 PHE 5 HE2 PHE 5 -1.469 3.952 -7.405
50 HZ PHE 5 HZ PHE 5 -2.520 2.095 -8.636
51 H ARG 6 H ARG 6 -2.437 0.749 -0.399
52 HA ARG 6 HA ARG 6 -0.181 2.065 0.822
53 HB2 ARG 6 HB2 ARG 6 -2.507 2.549 1.513
54 HB3 ARG 6 HB3 ARG 6 -2.661 0.897 2.097
55 HG2 ARG 6 HG2 ARG 6 -1.326 1.267 3.922
56 HG3 ARG 6 HG3 ARG 6 -0.452 2.590 3.148
57 HD2 ARG 6 HD2 ARG 6 -3.365 2.847 3.802
58 HD3 ARG 6 HD3 ARG 6 -2.136 3.130 5.035
59 HE ARG 6 HE ARG 6 -2.846 4.873 2.897
60 HH11 ARG 6 HH11 ARG 6 -0.183 3.829 4.882
61 HH12 ARG 6 HH12 ARG 6 0.698 5.310 4.708
62 HH21 ARG 6 HH21 ARG 6 -1.695 6.828 2.659
63 HH22 ARG 6 HH22 ARG 6 -0.164 7.015 3.443
64 H GLY 7 H GLY 7 -1.625 -1.165 0.866
65 HA2 GLY 7 HA2 GLY 7 -0.097 -2.313 2.893
66 HA3 GLY 7 HA3 GLY 7 -0.777 -3.191 1.529
67 H LYS 8 H LYS 8 0.683 -1.835 -0.515
68 HA LYS 8 HA LYS 8 3.104 -3.353 -0.412
69 HB2 LYS 8 HB2 LYS 8 1.628 -2.711 -2.465
70 HB3 LYS 8 HB3 LYS 8 2.564 -1.223 -2.455
71 HG2 LYS 8 HG2 LYS 8 3.652 -2.625 -3.979
72 HG3 LYS 8 HG3 LYS 8 4.630 -2.697 -2.512
73 HD2 LYS 8 HD2 LYS 8 3.896 -4.845 -1.983
74 HD3 LYS 8 HD3 LYS 8 2.471 -4.716 -3.017
75 HE2 LYS 8 HE2 LYS 8 5.325 -4.848 -3.988
76 HE3 LYS 8 HE3 LYS 8 4.199 -6.205 -3.955
77 HZ1 LYS 8 HZ1 LYS 8 4.461 -4.140 -5.887
78 HZ2 LYS 8 HZ2 LYS 8 3.564 -5.572 -5.968
79 HZ3 LYS 8 HZ3 LYS 8 2.882 -4.185 -5.279
80 H ALA 9 H ALA 9 2.348 0.118 -0.388
81 HA ALA 9 HA ALA 9 4.971 1.080 -0.310
82 HB1 ALA 9 HB1 ALA 9 3.544 2.796 -0.704
83 HB2 ALA 9 HB2 ALA 9 2.305 2.162 0.379
84 HB3 ALA 9 HB3 ALA 9 3.706 3.004 1.039
85 H ASP 10 H ASP 10 2.830 -0.000 2.274
86 HA ASP 10 HA ASP 10 4.215 0.885 4.496
87 HB2 ASP 10 HB2 ASP 10 2.624 -1.641 4.055
88 HB3 ASP 10 HB3 ASP 10 3.265 -1.182 5.630
89 H VAL 11 H VAL 11 4.775 -2.007 2.539
90 HA VAL 11 HA VAL 11 6.796 -3.128 4.161
91 HB VAL 11 HB VAL 11 6.498 -3.452 1.173
92 HG11 VAL 11 HG11 VAL 11 8.594 -4.314 2.018
93 HG12 VAL 11 HG12 VAL 11 7.751 -5.202 3.287
94 HG13 VAL 11 HG13 VAL 11 7.529 -5.656 1.597
95 HG21 VAL 11 HG21 VAL 11 4.424 -4.147 1.779
96 HG22 VAL 11 HG22 VAL 11 5.303 -5.632 2.148
97 HG23 VAL 11 HG23 VAL 11 4.907 -4.498 3.439
98 H ALA 12 H ALA 12 6.881 -0.829 1.489
99 HA ALA 12 HA ALA 12 9.742 -0.765 1.332
100 HB1 ALA 12 HB1 ALA 12 7.873 -0.109 -0.431
101 HB2 ALA 12 HB2 ALA 12 8.120 1.486 0.279
102 HB3 ALA 12 HB3 ALA 12 9.476 0.627 -0.450
103 H LEU 13 H LEU 13 10.695 1.632 1.371
104 HA LEU 13 HA LEU 13 11.544 3.228 2.758
105 HB2 LEU 13 HB2 LEU 13 8.590 3.438 3.225
106 HB3 LEU 13 HB3 LEU 13 9.724 4.500 4.058
107 HG LEU 13 HG LEU 13 10.554 5.127 1.710
108 HD11 LEU 13 HD11 LEU 13 8.055 3.606 1.088
109 HD12 LEU 13 HD12 LEU 13 8.557 4.957 0.073
110 HD13 LEU 13 HD13 LEU 13 9.622 3.566 0.278
111 HD21 LEU 13 HD21 LEU 13 9.515 6.918 2.587
112 HD22 LEU 13 HD22 LEU 13 8.214 6.477 1.481
113 HD23 LEU 13 HD23 LEU 13 8.145 5.970 3.168
114 HN1 NH2 14 HN1 NH2 14 11.690 0.612 3.781
115 HN2 NH2 14 HN2 NH2 14 11.633 0.642 5.487
Start of MODEL 8
1 H1 ILE 1 H ILE 1 -6.616 -0.268 -6.233
2 HA ILE 1 HA ILE 1 -8.543 0.022 -4.048
3 HB ILE 1 HB ILE 1 -6.383 -2.066 -4.342
4 HG12 ILE 1 HG12 ILE 1 -9.317 -2.254 -5.060
5 HG13 ILE 1 HG13 ILE 1 -7.994 -2.156 -6.218
6 HG21 ILE 1 HG21 ILE 1 -7.448 -3.228 -2.598
7 HG22 ILE 1 HG22 ILE 1 -7.389 -1.549 -2.062
8 HG23 ILE 1 HG23 ILE 1 -8.890 -2.219 -2.696
9 HD11 ILE 1 HD11 ILE 1 -7.177 -4.277 -4.835
10 HD12 ILE 1 HD12 ILE 1 -8.914 -4.423 -4.567
11 HD13 ILE 1 HD13 ILE 1 -8.273 -4.394 -6.211
12 H PHE 2 H PHE 2 -7.947 1.713 -2.804
13 HA PHE 2 HA PHE 2 -5.403 2.669 -2.312
14 HB2 PHE 2 HB2 PHE 2 -6.341 3.767 -0.337
15 HB3 PHE 2 HB3 PHE 2 -7.461 3.869 -1.692
16 HD1 PHE 2 HD1 PHE 2 -6.932 2.676 1.668
17 HD2 PHE 2 HD2 PHE 2 -9.461 2.391 -1.744
18 HE1 PHE 2 HE1 PHE 2 -8.702 1.692 3.066
19 HE2 PHE 2 HE2 PHE 2 -11.234 1.408 -0.352
20 HZ PHE 2 HZ PHE 2 -10.855 1.055 2.057
21 H TRP 3 H TRP 3 -7.142 0.063 -0.716
22 HA TRP 3 HA TRP 3 -5.443 -0.303 1.480
23 HB2 TRP 3 HB2 TRP 3 -7.436 -1.971 0.038
24 HB3 TRP 3 HB3 TRP 3 -6.300 -2.811 1.092
25 HD1 TRP 3 HD1 TRP 3 -9.635 -1.647 1.288
26 HE1 TRP 3 HE1 TRP 3 -10.326 -0.970 3.673
27 HE3 TRP 3 HE3 TRP 3 -4.994 -1.248 3.397
28 HZ2 TRP 3 HZ2 TRP 3 -9.071 -0.348 6.124
29 HZ3 TRP 3 HZ3 TRP 3 -4.827 -0.607 5.766
30 HH2 TRP 3 HH2 TRP 3 -6.823 -0.166 7.099
31 H LEU 4 H LEU 4 -5.521 -2.229 -1.525
32 HA LEU 4 HA LEU 4 -3.212 -3.687 -1.097
33 HB2 LEU 4 HB2 LEU 4 -5.033 -3.314 -3.187
34 HB3 LEU 4 HB3 LEU 4 -3.450 -2.965 -3.877
35 HG LEU 4 HG LEU 4 -4.159 -5.306 -4.206
36 HD11 LEU 4 HD11 LEU 4 -1.813 -5.192 -2.331
37 HD12 LEU 4 HD12 LEU 4 -2.073 -6.275 -3.697
38 HD13 LEU 4 HD13 LEU 4 -1.750 -4.564 -3.977
39 HD21 LEU 4 HD21 LEU 4 -5.280 -5.266 -1.828
40 HD22 LEU 4 HD22 LEU 4 -4.636 -6.762 -2.504
41 HD23 LEU 4 HD23 LEU 4 -3.699 -5.857 -1.316
42 H PHE 5 H PHE 5 -3.557 -0.567 -2.765
43 HA PHE 5 HA PHE 5 -0.905 -0.207 -3.512
44 HB2 PHE 5 HB2 PHE 5 -2.606 1.263 -4.367
45 HB3 PHE 5 HB3 PHE 5 -3.009 1.822 -2.748
46 HD1 PHE 5 HD1 PHE 5 -0.389 1.873 -5.353
47 HD2 PHE 5 HD2 PHE 5 -1.853 3.610 -1.754
48 HE1 PHE 5 HE1 PHE 5 1.215 3.723 -5.596
49 HE2 PHE 5 HE2 PHE 5 -0.252 5.463 -1.992
50 HZ PHE 5 HZ PHE 5 1.286 5.520 -3.915
51 H ARG 6 H ARG 6 -2.538 0.894 -0.547
52 HA ARG 6 HA ARG 6 -0.373 2.135 0.668
53 HB2 ARG 6 HB2 ARG 6 -2.882 1.957 1.378
54 HB3 ARG 6 HB3 ARG 6 -2.337 0.557 2.292
55 HG2 ARG 6 HG2 ARG 6 -0.540 2.205 3.211
56 HG3 ARG 6 HG3 ARG 6 -1.679 3.439 2.669
57 HD2 ARG 6 HD2 ARG 6 -2.377 3.103 4.836
58 HD3 ARG 6 HD3 ARG 6 -3.420 1.985 3.961
59 HE ARG 6 HE ARG 6 -1.274 0.466 4.625
60 HH11 ARG 6 HH11 ARG 6 -3.439 2.508 6.431
61 HH12 ARG 6 HH12 ARG 6 -3.305 1.581 7.890
62 HH21 ARG 6 HH21 ARG 6 -1.089 -0.761 6.540
63 HH22 ARG 6 HH22 ARG 6 -1.967 -0.276 7.951
64 H GLY 7 H GLY 7 -1.354 -1.269 0.749
65 HA2 GLY 7 HA2 GLY 7 0.465 -2.205 2.642
66 HA3 GLY 7 HA3 GLY 7 -0.192 -3.164 1.323
67 H LYS 8 H LYS 8 0.896 -1.718 -0.836
68 HA LYS 8 HA LYS 8 3.419 -2.925 -1.064
69 HB2 LYS 8 HB2 LYS 8 1.909 -2.244 -2.957
70 HB3 LYS 8 HB3 LYS 8 2.407 -0.580 -2.679
71 HG2 LYS 8 HG2 LYS 8 3.809 -1.208 -4.382
72 HG3 LYS 8 HG3 LYS 8 4.809 -1.534 -2.965
73 HD2 LYS 8 HD2 LYS 8 3.781 -3.911 -3.101
74 HD3 LYS 8 HD3 LYS 8 3.378 -3.458 -4.758
75 HE2 LYS 8 HE2 LYS 8 6.156 -3.193 -3.636
76 HE3 LYS 8 HE3 LYS 8 5.583 -4.677 -4.397
77 HZ1 LYS 8 HZ1 LYS 8 5.159 -2.235 -5.908
78 HZ2 LYS 8 HZ2 LYS 8 6.773 -2.708 -5.726
79 HZ3 LYS 8 HZ3 LYS 8 5.657 -3.764 -6.435
80 H ALA 9 H ALA 9 2.458 0.337 -0.154
81 HA ALA 9 HA ALA 9 5.154 1.339 -0.095
82 HB1 ALA 9 HB1 ALA 9 2.543 2.481 0.878
83 HB2 ALA 9 HB2 ALA 9 4.086 3.327 0.998
84 HB3 ALA 9 HB3 ALA 9 3.431 2.907 -0.586
85 H ASP 10 H ASP 10 2.830 0.112 2.251
86 HA ASP 10 HA ASP 10 4.093 0.833 4.615
87 HB2 ASP 10 HB2 ASP 10 1.833 -0.234 4.411
88 HB3 ASP 10 HB3 ASP 10 2.640 -1.773 4.125
89 H VAL 11 H VAL 11 4.386 -2.300 2.927
90 HA VAL 11 HA VAL 11 6.360 -3.425 4.489
91 HB VAL 11 HB VAL 11 7.014 -4.736 2.462
92 HG11 VAL 11 HG11 VAL 11 4.888 -5.901 2.257
93 HG12 VAL 11 HG12 VAL 11 5.184 -5.442 3.935
94 HG13 VAL 11 HG13 VAL 11 4.046 -4.516 2.954
95 HG21 VAL 11 HG21 VAL 11 5.565 -4.420 0.441
96 HG22 VAL 11 HG22 VAL 11 5.028 -2.894 1.143
97 HG23 VAL 11 HG23 VAL 11 6.727 -3.124 0.728
98 H ALA 12 H ALA 12 6.677 -1.114 1.856
99 HA ALA 12 HA ALA 12 9.548 -1.239 1.804
100 HB1 ALA 12 HB1 ALA 12 9.022 -0.479 -0.231
101 HB2 ALA 12 HB2 ALA 12 7.446 0.110 0.297
102 HB3 ALA 12 HB3 ALA 12 8.883 1.102 0.539
103 H LEU 13 H LEU 13 10.298 -0.749 3.854
104 HA LEU 13 HA LEU 13 9.469 1.691 5.171
105 HB2 LEU 13 HB2 LEU 13 11.293 -0.578 5.842
106 HB3 LEU 13 HB3 LEU 13 11.417 0.935 6.741
107 HG LEU 13 HG LEU 13 8.864 0.601 7.131
108 HD11 LEU 13 HD11 LEU 13 8.516 -1.964 7.387
109 HD12 LEU 13 HD12 LEU 13 8.261 -1.195 5.821
110 HD13 LEU 13 HD13 LEU 13 9.759 -2.069 6.140
111 HD21 LEU 13 HD21 LEU 13 11.134 -0.821 8.470
112 HD22 LEU 13 HD22 LEU 13 10.223 0.590 9.011
113 HD23 LEU 13 HD23 LEU 13 9.481 -1.009 9.057
114 HN1 NH2 14 HN1 NH2 14 10.148 3.275 3.680
115 HN2 NH2 14 HN2 NH2 14 11.778 3.740 3.478
Start of MODEL 9
1 H1 ILE 1 H ILE 1 -6.084 -0.831 -6.672
2 HA ILE 1 HA ILE 1 -7.903 0.261 -4.841
3 HB ILE 1 HB ILE 1 -6.137 -2.154 -4.422
4 HG12 ILE 1 HG12 ILE 1 -7.379 -2.342 -6.515
5 HG13 ILE 1 HG13 ILE 1 -8.046 -3.443 -5.314
6 HG21 ILE 1 HG21 ILE 1 -8.609 -1.138 -3.067
7 HG22 ILE 1 HG22 ILE 1 -8.191 -2.851 -3.044
8 HG23 ILE 1 HG23 ILE 1 -7.086 -1.664 -2.350
9 HD11 ILE 1 HD11 ILE 1 -9.864 -1.877 -4.888
10 HD12 ILE 1 HD12 ILE 1 -9.194 -0.771 -6.088
11 HD13 ILE 1 HD13 ILE 1 -9.800 -2.351 -6.585
12 H PHE 2 H PHE 2 -7.695 1.229 -2.897
13 HA PHE 2 HA PHE 2 -5.197 2.393 -2.198
14 HB2 PHE 2 HB2 PHE 2 -7.922 2.348 -0.939
15 HB3 PHE 2 HB3 PHE 2 -6.551 3.026 -0.065
16 HD1 PHE 2 HD1 PHE 2 -9.126 3.670 -2.400
17 HD2 PHE 2 HD2 PHE 2 -5.184 4.838 -1.299
18 HE1 PHE 2 HE1 PHE 2 -9.430 5.802 -3.590
19 HE2 PHE 2 HE2 PHE 2 -5.482 6.973 -2.485
20 HZ PHE 2 HZ PHE 2 -7.607 7.458 -3.631
21 H TRP 3 H TRP 3 -7.161 -0.198 -0.787
22 HA TRP 3 HA TRP 3 -5.641 -0.706 1.485
23 HB2 TRP 3 HB2 TRP 3 -7.226 -2.626 -0.234
24 HB3 TRP 3 HB3 TRP 3 -6.589 -3.017 1.361
25 HD1 TRP 3 HD1 TRP 3 -7.380 -0.442 2.966
26 HE1 TRP 3 HE1 TRP 3 -9.853 0.082 3.449
27 HE3 TRP 3 HE3 TRP 3 -9.537 -3.220 -0.744
28 HZ2 TRP 3 HZ2 TRP 3 -12.383 -0.593 2.396
29 HZ3 TRP 3 HZ3 TRP 3 -11.990 -3.227 -0.937
30 HH2 TRP 3 HH2 TRP 3 -13.382 -1.940 0.603
31 H LEU 4 H LEU 4 -5.187 -1.787 -1.836
32 HA LEU 4 HA LEU 4 -2.963 -3.496 -1.144
33 HB2 LEU 4 HB2 LEU 4 -4.312 -2.706 -3.695
34 HB3 LEU 4 HB3 LEU 4 -2.748 -3.517 -3.729
35 HG LEU 4 HG LEU 4 -5.098 -4.706 -2.287
36 HD11 LEU 4 HD11 LEU 4 -5.825 -4.287 -4.571
37 HD12 LEU 4 HD12 LEU 4 -4.373 -5.071 -5.191
38 HD13 LEU 4 HD13 LEU 4 -5.571 -6.010 -4.300
39 HD21 LEU 4 HD21 LEU 4 -3.666 -6.342 -1.843
40 HD22 LEU 4 HD22 LEU 4 -3.324 -6.547 -3.561
41 HD23 LEU 4 HD23 LEU 4 -2.383 -5.402 -2.604
42 H PHE 5 H PHE 5 -3.457 -0.340 -2.650
43 HA PHE 5 HA PHE 5 -0.825 0.154 -3.451
44 HB2 PHE 5 HB2 PHE 5 -2.705 1.543 -4.175
45 HB3 PHE 5 HB3 PHE 5 -2.929 2.122 -2.527
46 HD1 PHE 5 HD1 PHE 5 -0.080 1.805 -4.924
47 HD2 PHE 5 HD2 PHE 5 -2.206 4.259 -2.172
48 HE1 PHE 5 HE1 PHE 5 1.485 3.650 -5.366
49 HE2 PHE 5 HE2 PHE 5 -0.644 6.109 -2.611
50 HZ PHE 5 HZ PHE 5 1.206 5.806 -4.208
51 H ARG 6 H ARG 6 -2.476 1.145 -0.451
52 HA ARG 6 HA ARG 6 -0.297 2.367 0.779
53 HB2 ARG 6 HB2 ARG 6 -2.794 2.274 1.480
54 HB3 ARG 6 HB3 ARG 6 -2.336 0.814 2.345
55 HG2 ARG 6 HG2 ARG 6 -0.759 2.038 3.684
56 HG3 ARG 6 HG3 ARG 6 -1.046 3.504 2.744
57 HD2 ARG 6 HD2 ARG 6 -2.252 3.581 4.855
58 HD3 ARG 6 HD3 ARG 6 -3.373 3.529 3.495
59 HE ARG 6 HE ARG 6 -2.981 0.912 4.316
60 HH11 ARG 6 HH11 ARG 6 -4.267 3.866 5.634
61 HH12 ARG 6 HH12 ARG 6 -5.390 3.063 6.681
62 HH21 ARG 6 HH21 ARG 6 -4.457 -0.156 5.689
63 HH22 ARG 6 HH22 ARG 6 -5.497 0.775 6.711
64 H GLY 7 H GLY 7 -1.469 -0.981 1.177
65 HA2 GLY 7 HA2 GLY 7 0.485 -1.881 2.932
66 HA3 GLY 7 HA3 GLY 7 -0.362 -2.899 1.777
67 H LYS 8 H LYS 8 0.634 -1.513 -0.561
68 HA LYS 8 HA LYS 8 2.997 -2.992 -0.989
69 HB2 LYS 8 HB2 LYS 8 1.244 -2.001 -2.673
70 HB3 LYS 8 HB3 LYS 8 2.309 -0.602 -2.660
71 HG2 LYS 8 HG2 LYS 8 4.188 -2.217 -3.224
72 HG3 LYS 8 HG3 LYS 8 2.921 -3.400 -3.557
73 HD2 LYS 8 HD2 LYS 8 1.936 -1.475 -5.037
74 HD3 LYS 8 HD3 LYS 8 3.597 -0.878 -5.005
75 HE2 LYS 8 HE2 LYS 8 3.682 -2.204 -6.866
76 HE3 LYS 8 HE3 LYS 8 4.152 -3.373 -5.631
77 HZ1 LYS 8 HZ1 LYS 8 1.648 -3.872 -5.535
78 HZ2 LYS 8 HZ2 LYS 8 1.578 -3.110 -7.044
79 HZ3 LYS 8 HZ3 LYS 8 2.541 -4.485 -6.833
80 H ALA 9 H ALA 9 2.416 0.378 -0.136
81 HA ALA 9 HA ALA 9 5.202 1.095 -0.338
82 HB1 ALA 9 HB1 ALA 9 2.716 2.527 0.507
83 HB2 ALA 9 HB2 ALA 9 4.304 3.217 0.845
84 HB3 ALA 9 HB3 ALA 9 3.821 2.890 -0.818
85 H ASP 10 H ASP 10 2.923 0.270 2.216
86 HA ASP 10 HA ASP 10 4.451 0.993 4.436
87 HB2 ASP 10 HB2 ASP 10 2.346 -1.114 4.008
88 HB3 ASP 10 HB3 ASP 10 3.138 -0.920 5.569
89 H VAL 11 H VAL 11 4.201 -2.207 2.880
90 HA VAL 11 HA VAL 11 6.062 -3.556 4.422
91 HB VAL 11 HB VAL 11 4.637 -4.704 2.812
92 HG11 VAL 11 HG11 VAL 11 4.729 -3.005 1.034
93 HG12 VAL 11 HG12 VAL 11 6.389 -3.486 0.681
94 HG13 VAL 11 HG13 VAL 11 5.067 -4.626 0.428
95 HG21 VAL 11 HG21 VAL 11 7.572 -5.093 2.231
96 HG22 VAL 11 HG22 VAL 11 6.670 -5.822 3.561
97 HG23 VAL 11 HG23 VAL 11 6.292 -6.259 1.895
98 H ALA 12 H ALA 12 6.563 -1.411 1.683
99 HA ALA 12 HA ALA 12 9.323 -1.045 2.425
100 HB1 ALA 12 HB1 ALA 12 9.134 -3.134 0.888
101 HB2 ALA 12 HB2 ALA 12 8.925 -1.944 -0.398
102 HB3 ALA 12 HB3 ALA 12 10.392 -1.937 0.582
103 H LEU 13 H LEU 13 9.796 1.031 2.139
104 HA LEU 13 HA LEU 13 8.002 2.726 0.641
105 HB2 LEU 13 HB2 LEU 13 10.533 3.417 2.129
106 HB3 LEU 13 HB3 LEU 13 9.346 4.564 1.511
107 HG LEU 13 HG LEU 13 7.737 3.167 3.103
108 HD11 LEU 13 HD11 LEU 13 9.196 1.557 3.955
109 HD12 LEU 13 HD12 LEU 13 10.502 2.720 4.176
110 HD13 LEU 13 HD13 LEU 13 9.093 2.765 5.234
111 HD21 LEU 13 HD21 LEU 13 9.179 4.941 4.816
112 HD22 LEU 13 HD22 LEU 13 9.088 5.640 3.200
113 HD23 LEU 13 HD23 LEU 13 7.611 5.172 4.043
114 HN1 NH2 14 HN1 NH2 14 11.564 2.476 0.653
115 HN2 NH2 14 HN2 NH2 14 11.812 2.729 -1.017
Start of MODEL 10
1 H1 ILE 1 H ILE 1 -8.661 -0.734 -3.340
2 HA ILE 1 HA ILE 1 -6.406 -1.079 -5.196
3 HB ILE 1 HB ILE 1 -8.077 1.424 -4.966
4 HG12 ILE 1 HG12 ILE 1 -7.829 -0.498 -7.288
5 HG13 ILE 1 HG13 ILE 1 -9.189 -0.461 -6.171
6 HG21 ILE 1 HG21 ILE 1 -6.705 2.182 -6.891
7 HG22 ILE 1 HG22 ILE 1 -5.779 1.964 -5.406
8 HG23 ILE 1 HG23 ILE 1 -5.695 0.751 -6.683
9 HD11 ILE 1 HD11 ILE 1 -8.412 1.505 -8.270
10 HD12 ILE 1 HD12 ILE 1 -9.978 0.761 -7.949
11 HD13 ILE 1 HD13 ILE 1 -9.367 2.025 -6.881
12 H PHE 2 H PHE 2 -7.685 1.316 -2.878
13 HA PHE 2 HA PHE 2 -5.246 2.380 -2.095
14 HB2 PHE 2 HB2 PHE 2 -6.410 3.189 -0.094
15 HB3 PHE 2 HB3 PHE 2 -7.408 3.399 -1.529
16 HD1 PHE 2 HD1 PHE 2 -7.031 1.662 1.647
17 HD2 PHE 2 HD2 PHE 2 -9.389 2.025 -1.877
18 HE1 PHE 2 HE1 PHE 2 -8.858 0.436 2.747
19 HE2 PHE 2 HE2 PHE 2 -11.221 0.802 -0.783
20 HZ PHE 2 HZ PHE 2 -10.958 0.006 1.533
21 H TRP 3 H TRP 3 -6.954 -0.458 -0.902
22 HA TRP 3 HA TRP 3 -5.406 -0.971 1.368
23 HB2 TRP 3 HB2 TRP 3 -7.559 -2.106 0.765
24 HB3 TRP 3 HB3 TRP 3 -6.674 -3.043 -0.434
25 HD1 TRP 3 HD1 TRP 3 -4.800 -4.790 0.548
26 HE1 TRP 3 HE1 TRP 3 -4.753 -6.077 2.778
27 HE3 TRP 3 HE3 TRP 3 -8.194 -2.003 3.166
28 HZ2 TRP 3 HZ2 TRP 3 -5.991 -5.929 5.309
29 HZ3 TRP 3 HZ3 TRP 3 -8.707 -2.642 5.486
30 HH2 TRP 3 HH2 TRP 3 -7.628 -4.565 6.534
31 H LEU 4 H LEU 4 -4.888 -1.787 -2.017
32 HA LEU 4 HA LEU 4 -2.561 -3.395 -1.471
33 HB2 LEU 4 HB2 LEU 4 -3.573 -2.264 -4.076
34 HB3 LEU 4 HB3 LEU 4 -2.318 -3.487 -3.898
35 HG LEU 4 HG LEU 4 -5.224 -3.828 -3.154
36 HD11 LEU 4 HD11 LEU 4 -5.298 -5.353 -5.066
37 HD12 LEU 4 HD12 LEU 4 -4.907 -3.706 -5.562
38 HD13 LEU 4 HD13 LEU 4 -3.636 -4.925 -5.471
39 HD21 LEU 4 HD21 LEU 4 -2.886 -5.730 -3.086
40 HD22 LEU 4 HD22 LEU 4 -3.847 -5.168 -1.718
41 HD23 LEU 4 HD23 LEU 4 -4.574 -6.220 -2.934
42 H PHE 5 H PHE 5 -3.183 -0.171 -2.822
43 HA PHE 5 HA PHE 5 -0.557 0.541 -3.411
44 HB2 PHE 5 HB2 PHE 5 -2.718 1.792 -3.972
45 HB3 PHE 5 HB3 PHE 5 -2.606 2.485 -2.358
46 HD1 PHE 5 HD1 PHE 5 -1.143 2.398 -5.705
47 HD2 PHE 5 HD2 PHE 5 -0.894 4.096 -1.810
48 HE1 PHE 5 HE1 PHE 5 0.366 4.140 -6.565
49 HE2 PHE 5 HE2 PHE 5 0.615 5.842 -2.664
50 HZ PHE 5 HZ PHE 5 1.246 5.867 -5.044
51 H ARG 6 H ARG 6 -2.414 1.323 -0.466
52 HA ARG 6 HA ARG 6 -0.225 2.436 0.923
53 HB2 ARG 6 HB2 ARG 6 -2.553 2.901 1.536
54 HB3 ARG 6 HB3 ARG 6 -2.772 1.221 2.006
55 HG2 ARG 6 HG2 ARG 6 -0.875 1.628 3.670
56 HG3 ARG 6 HG3 ARG 6 -1.138 3.343 3.348
57 HD2 ARG 6 HD2 ARG 6 -3.646 2.027 3.824
58 HD3 ARG 6 HD3 ARG 6 -2.529 1.695 5.147
59 HE ARG 6 HE ARG 6 -2.647 3.904 5.768
60 HH11 ARG 6 HH11 ARG 6 -4.066 3.499 2.615
61 HH12 ARG 6 HH12 ARG 6 -4.723 5.102 2.561
62 HH21 ARG 6 HH21 ARG 6 -3.507 6.016 5.709
63 HH22 ARG 6 HH22 ARG 6 -4.405 6.532 4.322
64 H GLY 7 H GLY 7 -1.773 -0.766 1.190
65 HA2 GLY 7 HA2 GLY 7 -0.165 -1.870 3.148
66 HA3 GLY 7 HA3 GLY 7 -0.919 -2.792 1.855
67 H LYS 8 H LYS 8 0.385 -1.939 -0.368
68 HA LYS 8 HA LYS 8 2.801 -3.382 -0.253
69 HB2 LYS 8 HB2 LYS 8 1.296 -2.914 -2.280
70 HB3 LYS 8 HB3 LYS 8 2.130 -1.371 -2.391
71 HG2 LYS 8 HG2 LYS 8 3.274 -2.743 -3.878
72 HG3 LYS 8 HG3 LYS 8 4.285 -2.751 -2.430
73 HD2 LYS 8 HD2 LYS 8 3.167 -4.881 -1.757
74 HD3 LYS 8 HD3 LYS 8 2.351 -4.887 -3.322
75 HE2 LYS 8 HE2 LYS 8 5.324 -4.629 -3.211
76 HE3 LYS 8 HE3 LYS 8 4.583 -6.212 -2.978
77 HZ1 LYS 8 HZ1 LYS 8 5.043 -6.014 -5.264
78 HZ2 LYS 8 HZ2 LYS 8 3.373 -5.784 -5.119
79 HZ3 LYS 8 HZ3 LYS 8 4.393 -4.455 -5.355
80 H ALA 9 H ALA 9 2.156 0.107 -0.429
81 HA ALA 9 HA ALA 9 4.772 1.024 -0.576
82 HB1 ALA 9 HB1 ALA 9 2.660 2.443 1.016
83 HB2 ALA 9 HB2 ALA 9 3.957 3.132 0.041
84 HB3 ALA 9 HB3 ALA 9 2.589 2.342 -0.743
85 H ASP 10 H ASP 10 2.825 0.281 2.298
86 HA ASP 10 HA ASP 10 4.588 1.106 4.266
87 HB2 ASP 10 HB2 ASP 10 2.223 0.253 4.571
88 HB3 ASP 10 HB3 ASP 10 2.880 -1.376 4.458
89 H VAL 11 H VAL 11 4.302 -2.166 2.875
90 HA VAL 11 HA VAL 11 6.514 -3.251 4.234
91 HB VAL 11 HB VAL 11 5.391 -4.123 1.569
92 HG11 VAL 11 HG11 VAL 11 6.261 -6.365 2.365
93 HG12 VAL 11 HG12 VAL 11 7.476 -5.186 1.877
94 HG13 VAL 11 HG13 VAL 11 7.164 -5.473 3.588
95 HG21 VAL 11 HG21 VAL 11 4.522 -5.811 3.644
96 HG22 VAL 11 HG22 VAL 11 4.239 -4.159 4.192
97 HG23 VAL 11 HG23 VAL 11 3.550 -4.711 2.666
98 H ALA 12 H ALA 12 6.228 -1.997 0.914
99 HA ALA 12 HA ALA 12 7.783 -1.275 -0.585
100 HB1 ALA 12 HB1 ALA 12 9.697 -0.014 0.342
101 HB2 ALA 12 HB2 ALA 12 8.153 0.458 1.051
102 HB3 ALA 12 HB3 ALA 12 9.258 -0.581 1.953
103 H LEU 13 H LEU 13 7.823 -4.023 -0.101
104 HA LEU 13 HA LEU 13 10.469 -4.978 0.370
105 HB2 LEU 13 HB2 LEU 13 8.642 -6.440 0.800
106 HB3 LEU 13 HB3 LEU 13 8.020 -6.244 -0.837
107 HG LEU 13 HG LEU 13 10.108 -7.410 -1.643
108 HD11 LEU 13 HD11 LEU 13 11.083 -8.928 0.195
109 HD12 LEU 13 HD12 LEU 13 11.636 -7.256 0.098
110 HD13 LEU 13 HD13 LEU 13 10.448 -7.723 1.315
111 HD21 LEU 13 HD21 LEU 13 8.020 -8.743 0.046
112 HD22 LEU 13 HD22 LEU 13 8.161 -8.687 -1.711
113 HD23 LEU 13 HD23 LEU 13 9.273 -9.681 -0.770
114 HN1 NH2 14 HN1 NH2 14 8.601 -4.164 -2.502
115 HN2 NH2 14 HN2 NH2 14 9.850 -4.319 -3.657
Start of MODEL 11
1 H1 ILE 1 H ILE 1 -8.773 -1.474 -4.254
2 HA ILE 1 HA ILE 1 -6.157 -1.169 -5.263
3 HB ILE 1 HB ILE 1 -8.352 0.905 -5.164
4 HG12 ILE 1 HG12 ILE 1 -7.674 -1.054 -7.368
5 HG13 ILE 1 HG13 ILE 1 -9.010 -1.254 -6.238
6 HG21 ILE 1 HG21 ILE 1 -6.763 2.241 -5.980
7 HG22 ILE 1 HG22 ILE 1 -5.652 0.896 -6.244
8 HG23 ILE 1 HG23 ILE 1 -6.873 1.284 -7.458
9 HD11 ILE 1 HD11 ILE 1 -10.297 -0.074 -7.586
10 HD12 ILE 1 HD12 ILE 1 -9.240 1.321 -7.369
11 HD13 ILE 1 HD13 ILE 1 -8.940 0.183 -8.682
12 H PHE 2 H PHE 2 -7.957 0.789 -2.889
13 HA PHE 2 HA PHE 2 -5.789 2.479 -2.245
14 HB2 PHE 2 HB2 PHE 2 -8.323 1.790 -0.755
15 HB3 PHE 2 HB3 PHE 2 -7.166 2.984 -0.176
16 HD1 PHE 2 HD1 PHE 2 -9.829 2.278 -2.519
17 HD2 PHE 2 HD2 PHE 2 -6.778 5.054 -1.467
18 HE1 PHE 2 HE1 PHE 2 -10.917 3.995 -3.905
19 HE2 PHE 2 HE2 PHE 2 -7.862 6.775 -2.850
20 HZ PHE 2 HZ PHE 2 -9.934 6.247 -4.071
21 H TRP 3 H TRP 3 -7.185 -0.265 -0.448
22 HA TRP 3 HA TRP 3 -5.288 -0.316 1.604
23 HB2 TRP 3 HB2 TRP 3 -7.357 -1.536 1.824
24 HB3 TRP 3 HB3 TRP 3 -6.963 -2.542 0.433
25 HD1 TRP 3 HD1 TRP 3 -4.582 -1.777 3.377
26 HE1 TRP 3 HE1 TRP 3 -3.961 -4.006 4.503
27 HE3 TRP 3 HE3 TRP 3 -7.616 -4.908 0.707
28 HZ2 TRP 3 HZ2 TRP 3 -4.662 -6.731 4.288
29 HZ3 TRP 3 HZ3 TRP 3 -7.581 -7.312 1.230
30 HH2 TRP 3 HH2 TRP 3 -6.133 -8.204 2.983
31 H LEU 4 H LEU 4 -5.328 -1.944 -1.537
32 HA LEU 4 HA LEU 4 -3.007 -3.496 -1.136
33 HB2 LEU 4 HB2 LEU 4 -4.617 -2.628 -3.474
34 HB3 LEU 4 HB3 LEU 4 -2.991 -3.238 -3.781
35 HG LEU 4 HG LEU 4 -4.773 -4.945 -4.032
36 HD11 LEU 4 HD11 LEU 4 -3.636 -6.679 -2.716
37 HD12 LEU 4 HD12 LEU 4 -2.497 -5.625 -3.553
38 HD13 LEU 4 HD13 LEU 4 -2.778 -5.423 -1.823
39 HD21 LEU 4 HD21 LEU 4 -5.041 -5.034 -1.063
40 HD22 LEU 4 HD22 LEU 4 -6.034 -3.909 -1.988
41 HD23 LEU 4 HD23 LEU 4 -6.129 -5.640 -2.311
42 H PHE 5 H PHE 5 -3.462 -0.419 -2.878
43 HA PHE 5 HA PHE 5 -0.833 0.046 -3.597
44 HB2 PHE 5 HB2 PHE 5 -3.198 1.778 -3.096
45 HB3 PHE 5 HB3 PHE 5 -1.628 2.567 -3.199
46 HD1 PHE 5 HD1 PHE 5 -3.231 -0.247 -5.055
47 HD2 PHE 5 HD2 PHE 5 -1.342 3.563 -5.238
48 HE1 PHE 5 HE1 PHE 5 -3.368 -0.300 -7.511
49 HE2 PHE 5 HE2 PHE 5 -1.477 3.516 -7.696
50 HZ PHE 5 HZ PHE 5 -2.492 1.582 -8.834
51 H ARG 6 H ARG 6 -2.493 1.049 -0.617
52 HA ARG 6 HA ARG 6 -0.310 2.356 0.564
53 HB2 ARG 6 HB2 ARG 6 -2.767 1.044 1.708
54 HB3 ARG 6 HB3 ARG 6 -1.565 1.809 2.739
55 HG2 ARG 6 HG2 ARG 6 -1.914 3.929 1.574
56 HG3 ARG 6 HG3 ARG 6 -3.125 3.159 0.545
57 HD2 ARG 6 HD2 ARG 6 -3.277 3.398 3.549
58 HD3 ARG 6 HD3 ARG 6 -4.132 4.426 2.401
59 HE ARG 6 HE ARG 6 -4.703 1.680 1.947
60 HH11 ARG 6 HH11 ARG 6 -5.440 4.356 4.049
61 HH12 ARG 6 HH12 ARG 6 -7.008 3.755 4.479
62 HH21 ARG 6 HH21 ARG 6 -6.764 0.879 2.505
63 HH22 ARG 6 HH22 ARG 6 -7.759 1.777 3.601
64 H GLY 7 H GLY 7 -1.400 -1.014 0.771
65 HA2 GLY 7 HA2 GLY 7 0.410 -1.908 2.706
66 HA3 GLY 7 HA3 GLY 7 -0.315 -2.914 1.462
67 H LYS 8 H LYS 8 0.792 -1.601 -0.794
68 HA LYS 8 HA LYS 8 3.222 -2.958 -1.053
69 HB2 LYS 8 HB2 LYS 8 1.943 -0.739 -2.631
70 HB3 LYS 8 HB3 LYS 8 3.521 -1.380 -3.071
71 HG2 LYS 8 HG2 LYS 8 2.650 -3.483 -3.595
72 HG3 LYS 8 HG3 LYS 8 1.140 -3.169 -2.736
73 HD2 LYS 8 HD2 LYS 8 0.591 -2.975 -5.011
74 HD3 LYS 8 HD3 LYS 8 0.751 -1.312 -4.441
75 HE2 LYS 8 HE2 LYS 8 2.813 -1.024 -5.501
76 HE3 LYS 8 HE3 LYS 8 3.069 -2.760 -5.675
77 HZ1 LYS 8 HZ1 LYS 8 2.247 -1.226 -7.661
78 HZ2 LYS 8 HZ2 LYS 8 1.809 -2.853 -7.529
79 HZ3 LYS 8 HZ3 LYS 8 0.738 -1.646 -7.019
80 H ALA 9 H ALA 9 2.520 0.370 -0.149
81 HA ALA 9 HA ALA 9 5.289 1.160 -0.136
82 HB1 ALA 9 HB1 ALA 9 4.375 3.178 -0.246
83 HB2 ALA 9 HB2 ALA 9 2.774 2.475 -0.023
84 HB3 ALA 9 HB3 ALA 9 3.721 2.969 1.380
85 H ASP 10 H ASP 10 2.887 0.170 2.246
86 HA ASP 10 HA ASP 10 4.223 0.826 4.589
87 HB2 ASP 10 HB2 ASP 10 1.995 0.079 4.801
88 HB3 ASP 10 HB3 ASP 10 2.319 -1.407 3.914
89 H VAL 11 H VAL 11 4.246 -2.347 2.952
90 HA VAL 11 HA VAL 11 6.167 -3.570 4.538
91 HB VAL 11 HB VAL 11 4.857 -4.846 2.950
92 HG11 VAL 11 HG11 VAL 11 5.139 -4.707 0.579
93 HG12 VAL 11 HG12 VAL 11 4.824 -3.080 1.186
94 HG13 VAL 11 HG13 VAL 11 6.466 -3.558 0.753
95 HG21 VAL 11 HG21 VAL 11 6.615 -6.255 2.008
96 HG22 VAL 11 HG22 VAL 11 7.798 -4.976 2.288
97 HG23 VAL 11 HG23 VAL 11 7.010 -5.764 3.655
98 H ALA 12 H ALA 12 6.558 -1.430 1.774
99 HA ALA 12 HA ALA 12 9.379 -1.816 1.530
100 HB1 ALA 12 HB1 ALA 12 7.349 -0.476 0.082
101 HB2 ALA 12 HB2 ALA 12 8.604 0.705 0.461
102 HB3 ALA 12 HB3 ALA 12 9.019 -0.780 -0.397
103 H LEU 13 H LEU 13 10.679 0.442 1.501
104 HA LEU 13 HA LEU 13 11.805 1.921 2.813
105 HB2 LEU 13 HB2 LEU 13 9.178 2.506 4.142
106 HB3 LEU 13 HB3 LEU 13 10.540 3.594 3.881
107 HG LEU 13 HG LEU 13 8.727 2.526 1.718
108 HD11 LEU 13 HD11 LEU 13 8.846 5.241 3.025
109 HD12 LEU 13 HD12 LEU 13 7.872 4.823 1.614
110 HD13 LEU 13 HD13 LEU 13 7.542 4.064 3.172
111 HD21 LEU 13 HD21 LEU 13 10.883 4.633 1.619
112 HD22 LEU 13 HD22 LEU 13 11.018 3.000 0.967
113 HD23 LEU 13 HD23 LEU 13 9.848 4.128 0.281
114 HN1 NH2 14 HN1 NH2 14 12.997 0.379 3.968
115 HN2 NH2 14 HN2 NH2 14 12.682 -0.049 5.591
Start of MODEL 12
1 H1 ILE 1 H ILE 1 -8.733 -0.080 -4.200
2 HA ILE 1 HA ILE 1 -6.172 -1.045 -5.297
3 HB ILE 1 HB ILE 1 -6.000 1.246 -6.364
4 HG12 ILE 1 HG12 ILE 1 -8.963 1.277 -5.751
5 HG13 ILE 1 HG13 ILE 1 -7.757 2.340 -5.033
6 HG21 ILE 1 HG21 ILE 1 -6.541 -0.841 -7.586
7 HG22 ILE 1 HG22 ILE 1 -8.254 -0.496 -7.347
8 HG23 ILE 1 HG23 ILE 1 -7.261 0.598 -8.310
9 HD11 ILE 1 HD11 ILE 1 -7.451 2.625 -7.791
10 HD12 ILE 1 HD12 ILE 1 -9.191 2.607 -7.501
11 HD13 ILE 1 HD13 ILE 1 -8.168 3.774 -6.662
12 H PHE 2 H PHE 2 -7.785 1.255 -3.184
13 HA PHE 2 HA PHE 2 -5.529 2.699 -2.345
14 HB2 PHE 2 HB2 PHE 2 -8.245 2.193 -1.194
15 HB3 PHE 2 HB3 PHE 2 -7.025 2.976 -0.195
16 HD1 PHE 2 HD1 PHE 2 -9.094 3.281 -3.208
17 HD2 PHE 2 HD2 PHE 2 -6.308 5.216 -0.639
18 HE1 PHE 2 HE1 PHE 2 -9.626 5.438 -4.264
19 HE2 PHE 2 HE2 PHE 2 -6.835 7.376 -1.689
20 HZ PHE 2 HZ PHE 2 -8.497 7.491 -3.503
21 H TRP 3 H TRP 3 -7.182 -0.031 -0.756
22 HA TRP 3 HA TRP 3 -5.406 -0.344 1.366
23 HB2 TRP 3 HB2 TRP 3 -6.277 -2.657 1.520
24 HB3 TRP 3 HB3 TRP 3 -7.561 -1.469 1.321
25 HD1 TRP 3 HD1 TRP 3 -8.780 -1.393 -1.113
26 HE1 TRP 3 HE1 TRP 3 -9.083 -3.231 -2.889
27 HE3 TRP 3 HE3 TRP 3 -5.196 -4.670 0.491
28 HZ2 TRP 3 HZ2 TRP 3 -7.952 -5.739 -3.525
29 HZ3 TRP 3 HZ3 TRP 3 -4.872 -6.766 -0.758
30 HH2 TRP 3 HH2 TRP 3 -6.222 -7.287 -2.723
31 H LEU 4 H LEU 4 -5.281 -1.630 -1.914
32 HA LEU 4 HA LEU 4 -3.097 -3.376 -1.519
33 HB2 LEU 4 HB2 LEU 4 -4.390 -3.731 -3.441
34 HB3 LEU 4 HB3 LEU 4 -4.277 -2.042 -3.932
35 HG LEU 4 HG LEU 4 -1.895 -2.389 -4.477
36 HD11 LEU 4 HD11 LEU 4 -1.107 -4.755 -4.660
37 HD12 LEU 4 HD12 LEU 4 -1.302 -4.169 -3.008
38 HD13 LEU 4 HD13 LEU 4 -2.516 -5.235 -3.714
39 HD21 LEU 4 HD21 LEU 4 -2.263 -3.549 -6.527
40 HD22 LEU 4 HD22 LEU 4 -3.654 -4.405 -5.862
41 HD23 LEU 4 HD23 LEU 4 -3.741 -2.667 -6.146
42 H PHE 5 H PHE 5 -3.263 -0.051 -2.773
43 HA PHE 5 HA PHE 5 -0.540 0.299 -3.269
44 HB2 PHE 5 HB2 PHE 5 -2.205 1.873 -4.088
45 HB3 PHE 5 HB3 PHE 5 -2.612 2.340 -2.438
46 HD1 PHE 5 HD1 PHE 5 0.499 2.026 -4.486
47 HD2 PHE 5 HD2 PHE 5 -1.820 4.388 -1.810
48 HE1 PHE 5 HE1 PHE 5 2.206 3.795 -4.573
49 HE2 PHE 5 HE2 PHE 5 -0.117 6.163 -1.895
50 HZ PHE 5 HZ PHE 5 1.899 5.868 -3.278
51 H ARG 6 H ARG 6 -2.422 1.063 -0.351
52 HA ARG 6 HA ARG 6 -0.272 2.078 1.153
53 HB2 ARG 6 HB2 ARG 6 -2.691 2.388 1.692
54 HB3 ARG 6 HB3 ARG 6 -2.750 0.706 2.203
55 HG2 ARG 6 HG2 ARG 6 -2.526 2.002 4.161
56 HG3 ARG 6 HG3 ARG 6 -0.952 1.261 3.870
57 HD2 ARG 6 HD2 ARG 6 -0.784 3.635 4.521
58 HD3 ARG 6 HD3 ARG 6 -0.113 3.316 2.921
59 HE ARG 6 HE ARG 6 -1.676 4.727 2.046
60 HH11 ARG 6 HH11 ARG 6 -2.749 3.691 5.192
61 HH12 ARG 6 HH12 ARG 6 -4.129 4.740 5.210
62 HH21 ARG 6 HH21 ARG 6 -3.488 6.113 2.060
63 HH22 ARG 6 HH22 ARG 6 -4.548 6.117 3.429
64 H GLY 7 H GLY 7 -1.618 -1.185 0.858
65 HA2 GLY 7 HA2 GLY 7 -0.173 -2.455 2.869
66 HA3 GLY 7 HA3 GLY 7 -0.738 -3.234 1.397
67 H LYS 8 H LYS 8 0.677 -2.382 -0.598
68 HA LYS 8 HA LYS 8 3.226 -3.527 -0.244
69 HB2 LYS 8 HB2 LYS 8 3.669 -2.824 -2.534
70 HB3 LYS 8 HB3 LYS 8 2.048 -3.492 -2.404
71 HG2 LYS 8 HG2 LYS 8 1.232 -1.102 -2.187
72 HG3 LYS 8 HG3 LYS 8 2.852 -0.615 -2.690
73 HD2 LYS 8 HD2 LYS 8 1.341 -2.618 -4.313
74 HD3 LYS 8 HD3 LYS 8 0.951 -0.902 -4.463
75 HE2 LYS 8 HE2 LYS 8 3.540 -0.644 -4.727
76 HE3 LYS 8 HE3 LYS 8 3.468 -2.349 -5.166
77 HZ1 LYS 8 HZ1 LYS 8 2.958 -1.663 -7.199
78 HZ2 LYS 8 HZ2 LYS 8 1.456 -1.164 -6.600
79 HZ3 LYS 8 HZ3 LYS 8 2.737 -0.062 -6.698
80 H ALA 9 H ALA 9 2.109 -0.190 -0.261
81 HA ALA 9 HA ALA 9 4.590 1.099 -0.392
82 HB1 ALA 9 HB1 ALA 9 2.604 2.371 -0.716
83 HB2 ALA 9 HB2 ALA 9 1.996 1.942 0.883
84 HB3 ALA 9 HB3 ALA 9 3.399 3.000 0.727
85 H ASP 10 H ASP 10 2.747 -0.098 2.386
86 HA ASP 10 HA ASP 10 4.286 0.930 4.448
87 HB2 ASP 10 HB2 ASP 10 2.284 -0.126 5.077
88 HB3 ASP 10 HB3 ASP 10 2.676 -1.597 4.190
89 H VAL 11 H VAL 11 4.818 -1.941 2.472
90 HA VAL 11 HA VAL 11 6.863 -3.161 3.879
91 HB VAL 11 HB VAL 11 6.671 -2.946 0.871
92 HG11 VAL 11 HG11 VAL 11 8.453 -4.266 0.784
93 HG12 VAL 11 HG12 VAL 11 8.604 -4.154 2.538
94 HG13 VAL 11 HG13 VAL 11 7.652 -5.450 1.816
95 HG21 VAL 11 HG21 VAL 11 5.667 -5.389 1.533
96 HG22 VAL 11 HG22 VAL 11 5.067 -4.387 2.856
97 HG23 VAL 11 HG23 VAL 11 4.693 -3.959 1.187
98 H ALA 12 H ALA 12 7.184 -0.723 1.296
99 HA ALA 12 HA ALA 12 9.988 -0.475 1.507
100 HB1 ALA 12 HB1 ALA 12 9.817 1.059 -0.152
101 HB2 ALA 12 HB2 ALA 12 8.204 0.363 -0.300
102 HB3 ALA 12 HB3 ALA 12 8.437 1.869 0.587
103 H LEU 13 H LEU 13 11.220 0.552 2.942
104 HA LEU 13 HA LEU 13 9.986 1.982 5.122
105 HB2 LEU 13 HB2 LEU 13 12.895 1.457 4.532
106 HB3 LEU 13 HB3 LEU 13 12.249 2.100 6.040
107 HG LEU 13 HG LEU 13 11.583 -0.638 4.970
108 HD11 LEU 13 HD11 LEU 13 14.064 0.095 5.783
109 HD12 LEU 13 HD12 LEU 13 13.337 -0.413 7.307
110 HD13 LEU 13 HD13 LEU 13 13.395 -1.528 5.942
111 HD21 LEU 13 HD21 LEU 13 10.213 0.786 6.779
112 HD22 LEU 13 HD22 LEU 13 10.378 -0.968 6.857
113 HD23 LEU 13 HD23 LEU 13 11.423 0.060 7.836
114 HN1 NH2 14 HN1 NH2 14 9.805 4.119 5.335
115 HN2 NH2 14 HN2 NH2 14 10.545 5.328 4.382
Start of MODEL 13
1 H1 ILE 1 H ILE 1 -8.748 -0.393 -3.824
2 HA ILE 1 HA ILE 1 -6.248 -0.905 -5.296
3 HB ILE 1 HB ILE 1 -7.793 1.686 -5.269
4 HG12 ILE 1 HG12 ILE 1 -8.117 0.831 -7.780
5 HG13 ILE 1 HG13 ILE 1 -8.020 -0.737 -6.985
6 HG21 ILE 1 HG21 ILE 1 -6.174 2.557 -6.558
7 HG22 ILE 1 HG22 ILE 1 -5.186 1.256 -5.895
8 HG23 ILE 1 HG23 ILE 1 -5.957 1.062 -7.468
9 HD11 ILE 1 HD11 ILE 1 -9.884 1.380 -5.994
10 HD12 ILE 1 HD12 ILE 1 -10.324 0.323 -7.335
11 HD13 ILE 1 HD13 ILE 1 -9.952 -0.366 -5.755
12 H PHE 2 H PHE 2 -7.675 1.535 -3.115
13 HA PHE 2 HA PHE 2 -5.335 2.693 -2.224
14 HB2 PHE 2 HB2 PHE 2 -8.069 2.391 -1.085
15 HB3 PHE 2 HB3 PHE 2 -6.795 2.948 -0.006
16 HD1 PHE 2 HD1 PHE 2 -8.428 3.670 -3.260
17 HD2 PHE 2 HD2 PHE 2 -6.138 5.179 -0.004
18 HE1 PHE 2 HE1 PHE 2 -8.690 5.952 -4.138
19 HE2 PHE 2 HE2 PHE 2 -6.397 7.465 -0.878
20 HZ PHE 2 HZ PHE 2 -7.674 7.854 -2.947
21 H TRP 3 H TRP 3 -7.124 0.046 -0.645
22 HA TRP 3 HA TRP 3 -5.395 -0.441 1.451
23 HB2 TRP 3 HB2 TRP 3 -7.678 -1.511 0.931
24 HB3 TRP 3 HB3 TRP 3 -6.769 -2.675 -0.028
25 HD1 TRP 3 HD1 TRP 3 -5.678 -1.303 3.413
26 HE1 TRP 3 HE1 TRP 3 -5.495 -3.286 5.045
27 HE3 TRP 3 HE3 TRP 3 -7.455 -5.016 0.382
28 HZ2 TRP 3 HZ2 TRP 3 -6.031 -6.057 5.045
29 HZ3 TRP 3 HZ3 TRP 3 -7.588 -7.304 1.273
30 HH2 TRP 3 HH2 TRP 3 -6.890 -7.812 3.557
31 H LEU 4 H LEU 4 -5.221 -1.610 -1.876
32 HA LEU 4 HA LEU 4 -3.033 -3.364 -1.478
33 HB2 LEU 4 HB2 LEU 4 -3.749 -1.958 -4.041
34 HB3 LEU 4 HB3 LEU 4 -2.887 -3.483 -3.853
35 HG LEU 4 HG LEU 4 -5.802 -3.018 -3.228
36 HD11 LEU 4 HD11 LEU 4 -5.526 -2.980 -5.581
37 HD12 LEU 4 HD12 LEU 4 -4.405 -4.340 -5.540
38 HD13 LEU 4 HD13 LEU 4 -6.108 -4.591 -5.163
39 HD21 LEU 4 HD21 LEU 4 -5.574 -5.662 -3.309
40 HD22 LEU 4 HD22 LEU 4 -3.941 -5.282 -2.764
41 HD23 LEU 4 HD23 LEU 4 -5.332 -4.745 -1.822
42 H PHE 5 H PHE 5 -3.215 -0.059 -2.792
43 HA PHE 5 HA PHE 5 -0.490 0.311 -3.246
44 HB2 PHE 5 HB2 PHE 5 -2.582 1.804 -3.818
45 HB3 PHE 5 HB3 PHE 5 -2.172 2.596 -2.300
46 HD1 PHE 5 HD1 PHE 5 -1.385 2.248 -5.782
47 HD2 PHE 5 HD2 PHE 5 0.114 3.598 -2.034
48 HE1 PHE 5 HE1 PHE 5 0.310 3.595 -6.950
49 HE2 PHE 5 HE2 PHE 5 1.812 4.949 -3.196
50 HZ PHE 5 HZ PHE 5 1.912 4.947 -5.656
51 H ARG 6 H ARG 6 -2.410 0.796 -0.328
52 HA ARG 6 HA ARG 6 -0.296 1.965 1.187
53 HB2 ARG 6 HB2 ARG 6 -2.681 2.307 1.728
54 HB3 ARG 6 HB3 ARG 6 -2.820 0.604 2.145
55 HG2 ARG 6 HG2 ARG 6 -1.126 0.956 3.923
56 HG3 ARG 6 HG3 ARG 6 -1.157 2.680 3.551
57 HD2 ARG 6 HD2 ARG 6 -3.617 2.644 4.003
58 HD3 ARG 6 HD3 ARG 6 -3.429 0.984 4.567
59 HE ARG 6 HE ARG 6 -2.766 3.367 5.992
60 HH11 ARG 6 HH11 ARG 6 -1.900 0.022 5.551
61 HH12 ARG 6 HH12 ARG 6 -1.213 -0.143 7.133
62 HH21 ARG 6 HH21 ARG 6 -1.864 3.160 8.078
63 HH22 ARG 6 HH22 ARG 6 -1.193 1.641 8.569
64 H GLY 7 H GLY 7 -1.494 -1.309 0.714
65 HA2 GLY 7 HA2 GLY 7 -0.044 -2.535 2.809
66 HA3 GLY 7 HA3 GLY 7 -0.683 -3.348 1.389
67 H LYS 8 H LYS 8 0.702 -2.163 -0.648
68 HA LYS 8 HA LYS 8 3.231 -3.470 -0.440
69 HB2 LYS 8 HB2 LYS 8 3.590 -2.698 -2.735
70 HB3 LYS 8 HB3 LYS 8 1.992 -3.408 -2.550
71 HG2 LYS 8 HG2 LYS 8 1.066 -1.110 -2.328
72 HG3 LYS 8 HG3 LYS 8 2.672 -0.480 -2.697
73 HD2 LYS 8 HD2 LYS 8 1.229 -2.397 -4.512
74 HD3 LYS 8 HD3 LYS 8 1.041 -0.647 -4.638
75 HE2 LYS 8 HE2 LYS 8 3.376 -0.367 -5.094
76 HE3 LYS 8 HE3 LYS 8 3.698 -2.066 -4.750
77 HZ1 LYS 8 HZ1 LYS 8 3.501 -1.321 -7.180
78 HZ2 LYS 8 HZ2 LYS 8 2.702 -2.737 -6.712
79 HZ3 LYS 8 HZ3 LYS 8 1.832 -1.299 -6.902
80 H ALA 9 H ALA 9 2.147 -0.121 -0.371
81 HA ALA 9 HA ALA 9 4.713 1.068 -0.498
82 HB1 ALA 9 HB1 ALA 9 2.157 2.159 0.674
83 HB2 ALA 9 HB2 ALA 9 3.598 3.098 0.288
84 HB3 ALA 9 HB3 ALA 9 2.683 2.316 -1.002
85 H ASP 10 H ASP 10 2.694 -0.043 2.168
86 HA ASP 10 HA ASP 10 4.023 1.076 4.320
87 HB2 ASP 10 HB2 ASP 10 1.905 -0.243 4.436
88 HB3 ASP 10 HB3 ASP 10 2.856 -1.711 4.233
89 H VAL 11 H VAL 11 4.605 -2.154 2.923
90 HA VAL 11 HA VAL 11 6.915 -2.673 4.467
91 HB VAL 11 HB VAL 11 6.223 -3.889 1.792
92 HG11 VAL 11 HG11 VAL 11 8.530 -4.240 2.811
93 HG12 VAL 11 HG12 VAL 11 7.710 -5.164 4.070
94 HG13 VAL 11 HG13 VAL 11 7.615 -5.686 2.388
95 HG21 VAL 11 HG21 VAL 11 5.182 -5.696 3.227
96 HG22 VAL 11 HG22 VAL 11 5.258 -4.551 4.565
97 HG23 VAL 11 HG23 VAL 11 4.296 -4.173 3.138
98 H ALA 12 H ALA 12 6.446 -1.362 1.217
99 HA ALA 12 HA ALA 12 7.868 -0.365 -0.259
100 HB1 ALA 12 HB1 ALA 12 9.109 0.489 2.350
101 HB2 ALA 12 HB2 ALA 12 9.580 1.139 0.778
102 HB3 ALA 12 HB3 ALA 12 7.935 1.372 1.373
103 H LEU 13 H LEU 13 8.389 -2.964 -0.253
104 HA LEU 13 HA LEU 13 10.951 -3.805 0.502
105 HB2 LEU 13 HB2 LEU 13 8.950 -5.185 -0.300
106 HB3 LEU 13 HB3 LEU 13 9.509 -4.815 -1.930
107 HG LEU 13 HG LEU 13 11.433 -6.042 -0.018
108 HD11 LEU 13 HD11 LEU 13 10.654 -8.258 -0.469
109 HD12 LEU 13 HD12 LEU 13 9.316 -7.330 0.208
110 HD13 LEU 13 HD13 LEU 13 9.381 -7.649 -1.526
111 HD21 LEU 13 HD21 LEU 13 10.940 -6.132 -2.986
112 HD22 LEU 13 HD22 LEU 13 12.321 -5.446 -2.128
113 HD23 LEU 13 HD23 LEU 13 12.089 -7.193 -2.169
114 HN1 NH2 14 HN1 NH2 14 9.804 -2.745 -2.706
115 HN2 NH2 14 HN2 NH2 14 11.314 -2.252 -3.332
Start of MODEL 14
1 H1 ILE 1 H ILE 1 -8.694 0.865 -4.327
2 HA ILE 1 HA ILE 1 -6.469 -0.760 -5.374
3 HB ILE 1 HB ILE 1 -5.659 1.380 -6.457
4 HG12 ILE 1 HG12 ILE 1 -8.519 2.218 -5.938
5 HG13 ILE 1 HG13 ILE 1 -7.091 2.929 -5.193
6 HG21 ILE 1 HG21 ILE 1 -8.256 0.223 -7.461
7 HG22 ILE 1 HG22 ILE 1 -7.063 1.093 -8.426
8 HG23 ILE 1 HG23 ILE 1 -6.652 -0.468 -7.717
9 HD11 ILE 1 HD11 ILE 1 -8.045 3.137 -8.016
10 HD12 ILE 1 HD12 ILE 1 -7.630 4.419 -6.878
11 HD13 ILE 1 HD13 ILE 1 -6.357 3.438 -7.603
12 H PHE 2 H PHE 2 -7.466 1.929 -3.339
13 HA PHE 2 HA PHE 2 -4.899 2.671 -2.430
14 HB2 PHE 2 HB2 PHE 2 -7.648 3.016 -1.234
15 HB3 PHE 2 HB3 PHE 2 -6.195 3.673 -0.488
16 HD1 PHE 2 HD1 PHE 2 -8.813 4.280 -2.770
17 HD2 PHE 2 HD2 PHE 2 -4.727 5.191 -2.000
18 HE1 PHE 2 HE1 PHE 2 -8.994 6.279 -4.192
19 HE2 PHE 2 HE2 PHE 2 -4.902 7.193 -3.420
20 HZ PHE 2 HZ PHE 2 -7.038 7.738 -4.519
21 H TRP 3 H TRP 3 -7.228 0.282 -1.323
22 HA TRP 3 HA TRP 3 -6.182 -0.345 1.161
23 HB2 TRP 3 HB2 TRP 3 -8.298 -1.258 0.211
24 HB3 TRP 3 HB3 TRP 3 -7.339 -2.310 -0.826
25 HD1 TRP 3 HD1 TRP 3 -8.233 -1.787 2.880
26 HE1 TRP 3 HE1 TRP 3 -7.798 -3.991 4.137
27 HE3 TRP 3 HE3 TRP 3 -6.044 -4.455 -0.893
28 HZ2 TRP 3 HZ2 TRP 3 -6.675 -6.524 3.600
29 HZ3 TRP 3 HZ3 TRP 3 -5.318 -6.762 -0.438
30 HH2 TRP 3 HH2 TRP 3 -5.628 -7.773 1.763
31 H LEU 4 H LEU 4 -5.482 -2.080 -1.881
32 HA LEU 4 HA LEU 4 -3.307 -3.528 -0.775
33 HB2 LEU 4 HB2 LEU 4 -2.852 -4.221 -3.060
34 HB3 LEU 4 HB3 LEU 4 -4.570 -4.349 -2.684
35 HG LEU 4 HG LEU 4 -4.606 -1.952 -3.833
36 HD11 LEU 4 HD11 LEU 4 -2.896 -1.428 -5.175
37 HD12 LEU 4 HD12 LEU 4 -1.971 -2.558 -4.187
38 HD13 LEU 4 HD13 LEU 4 -2.678 -3.096 -5.710
39 HD21 LEU 4 HD21 LEU 4 -5.824 -4.058 -4.465
40 HD22 LEU 4 HD22 LEU 4 -5.389 -3.007 -5.811
41 HD23 LEU 4 HD23 LEU 4 -4.446 -4.461 -5.488
42 H PHE 5 H PHE 5 -3.569 -0.530 -2.597
43 HA PHE 5 HA PHE 5 -0.904 -0.129 -3.266
44 HB2 PHE 5 HB2 PHE 5 -2.608 1.322 -4.150
45 HB3 PHE 5 HB3 PHE 5 -3.046 1.873 -2.536
46 HD1 PHE 5 HD1 PHE 5 0.295 1.484 -4.128
47 HD2 PHE 5 HD2 PHE 5 -2.599 4.138 -2.486
48 HE1 PHE 5 HE1 PHE 5 1.889 3.346 -4.337
49 HE2 PHE 5 HE2 PHE 5 -1.010 6.005 -2.695
50 HZ PHE 5 HZ PHE 5 1.238 5.610 -3.620
51 H ARG 6 H ARG 6 -2.597 0.510 -0.243
52 HA ARG 6 HA ARG 6 -0.506 1.922 1.032
53 HB2 ARG 6 HB2 ARG 6 -2.880 1.914 1.783
54 HB3 ARG 6 HB3 ARG 6 -2.671 0.252 2.318
55 HG2 ARG 6 HG2 ARG 6 -0.963 0.975 3.908
56 HG3 ARG 6 HG3 ARG 6 -1.174 2.644 3.371
57 HD2 ARG 6 HD2 ARG 6 -3.338 0.928 4.585
58 HD3 ARG 6 HD3 ARG 6 -2.390 2.127 5.464
59 HE ARG 6 HE ARG 6 -3.560 3.367 3.242
60 HH11 ARG 6 HH11 ARG 6 -4.475 1.928 6.278
61 HH12 ARG 6 HH12 ARG 6 -5.887 2.917 6.470
62 HH21 ARG 6 HH21 ARG 6 -5.414 4.674 3.483
63 HH22 ARG 6 HH22 ARG 6 -6.419 4.478 4.880
64 H GLY 7 H GLY 7 -1.384 -1.509 0.957
65 HA2 GLY 7 HA2 GLY 7 0.453 -2.442 2.851
66 HA3 GLY 7 HA3 GLY 7 -0.197 -3.390 1.522
67 H LYS 8 H LYS 8 0.856 -1.813 -0.600
68 HA LYS 8 HA LYS 8 3.430 -2.974 -0.823
69 HB2 LYS 8 HB2 LYS 8 1.785 -2.340 -2.693
70 HB3 LYS 8 HB3 LYS 8 2.421 -0.708 -2.532
71 HG2 LYS 8 HG2 LYS 8 3.769 -1.470 -4.188
72 HG3 LYS 8 HG3 LYS 8 4.730 -1.965 -2.792
73 HD2 LYS 8 HD2 LYS 8 4.673 -3.852 -4.194
74 HD3 LYS 8 HD3 LYS 8 3.485 -4.187 -2.931
75 HE2 LYS 8 HE2 LYS 8 1.688 -3.840 -4.356
76 HE3 LYS 8 HE3 LYS 8 2.642 -2.884 -5.489
77 HZ1 LYS 8 HZ1 LYS 8 2.894 -5.813 -5.059
78 HZ2 LYS 8 HZ2 LYS 8 2.140 -5.071 -6.381
79 HZ3 LYS 8 HZ3 LYS 8 3.808 -4.894 -6.149
80 H ALA 9 H ALA 9 2.317 0.317 -0.159
81 HA ALA 9 HA ALA 9 4.878 1.523 -0.180
82 HB1 ALA 9 HB1 ALA 9 3.005 2.943 -0.447
83 HB2 ALA 9 HB2 ALA 9 2.257 2.357 1.040
84 HB3 ALA 9 HB3 ALA 9 3.713 3.351 1.117
85 H ASP 10 H ASP 10 2.892 0.124 2.391
86 HA ASP 10 HA ASP 10 4.393 0.887 4.599
87 HB2 ASP 10 HB2 ASP 10 2.217 -0.176 4.828
88 HB3 ASP 10 HB3 ASP 10 2.848 -1.674 4.147
89 H VAL 11 H VAL 11 4.597 -2.228 2.867
90 HA VAL 11 HA VAL 11 6.861 -3.182 4.200
91 HB VAL 11 HB VAL 11 5.982 -3.801 1.378
92 HG11 VAL 11 HG11 VAL 11 8.279 -4.487 1.781
93 HG12 VAL 11 HG12 VAL 11 7.787 -5.327 3.253
94 HG13 VAL 11 HG13 VAL 11 7.224 -5.896 1.680
95 HG21 VAL 11 HG21 VAL 11 4.219 -4.765 2.335
96 HG22 VAL 11 HG22 VAL 11 5.331 -5.911 3.082
97 HG23 VAL 11 HG23 VAL 11 4.853 -4.453 3.951
98 H ALA 12 H ALA 12 6.558 -1.225 1.276
99 HA ALA 12 HA ALA 12 9.440 -0.660 1.451
100 HB1 ALA 12 HB1 ALA 12 8.698 -0.400 -1.253
101 HB2 ALA 12 HB2 ALA 12 9.782 -1.592 -0.533
102 HB3 ALA 12 HB3 ALA 12 8.063 -1.949 -0.700
103 H LEU 13 H LEU 13 9.526 1.390 2.123
104 HA LEU 13 HA LEU 13 7.570 3.334 1.874
105 HB2 LEU 13 HB2 LEU 13 10.505 3.386 2.360
106 HB3 LEU 13 HB3 LEU 13 9.683 4.909 2.028
107 HG LEU 13 HG LEU 13 9.938 4.550 4.421
108 HD11 LEU 13 HD11 LEU 13 7.676 4.971 5.083
109 HD12 LEU 13 HD12 LEU 13 7.943 5.725 3.512
110 HD13 LEU 13 HD13 LEU 13 7.054 4.207 3.622
111 HD21 LEU 13 HD21 LEU 13 9.820 1.988 4.118
112 HD22 LEU 13 HD22 LEU 13 9.138 2.704 5.579
113 HD23 LEU 13 HD23 LEU 13 8.076 2.209 4.260
114 HN1 NH2 14 HN1 NH2 14 10.184 2.491 -0.327
115 HN2 NH2 14 HN2 NH2 14 9.736 3.492 -1.637
Start of MODEL 15
1 H1 ILE 1 H ILE 1 -5.991 -1.794 -5.801
2 HA ILE 1 HA ILE 1 -7.641 0.614 -5.462
3 HB ILE 1 HB ILE 1 -8.735 -1.592 -5.097
4 HG12 ILE 1 HG12 ILE 1 -8.664 -0.265 -2.423
5 HG13 ILE 1 HG13 ILE 1 -9.180 0.687 -3.810
6 HG21 ILE 1 HG21 ILE 1 -6.446 -2.339 -3.888
7 HG22 ILE 1 HG22 ILE 1 -7.433 -1.946 -2.479
8 HG23 ILE 1 HG23 ILE 1 -7.995 -3.147 -3.642
9 HD11 ILE 1 HD11 ILE 1 -10.504 -1.857 -3.801
10 HD12 ILE 1 HD12 ILE 1 -10.724 -1.035 -2.257
11 HD13 ILE 1 HD13 ILE 1 -11.188 -0.232 -3.758
12 H PHE 2 H PHE 2 -7.471 1.886 -3.589
13 HA PHE 2 HA PHE 2 -4.927 2.510 -2.715
14 HB2 PHE 2 HB2 PHE 2 -6.988 3.933 -2.479
15 HB3 PHE 2 HB3 PHE 2 -7.448 2.935 -1.104
16 HD1 PHE 2 HD1 PHE 2 -4.140 4.310 -2.120
17 HD2 PHE 2 HD2 PHE 2 -7.259 4.256 0.778
18 HE1 PHE 2 HE1 PHE 2 -2.786 5.735 -0.640
19 HE2 PHE 2 HE2 PHE 2 -5.910 5.682 2.260
20 HZ PHE 2 HZ PHE 2 -3.671 6.425 1.552
21 H TRP 3 H TRP 3 -7.336 0.422 -1.167
22 HA TRP 3 HA TRP 3 -6.049 -0.115 1.215
23 HB2 TRP 3 HB2 TRP 3 -8.358 -0.916 0.284
24 HB3 TRP 3 HB3 TRP 3 -7.446 -2.323 -0.257
25 HD1 TRP 3 HD1 TRP 3 -8.486 -0.509 2.976
26 HE1 TRP 3 HE1 TRP 3 -8.355 -2.188 4.922
27 HE3 TRP 3 HE3 TRP 3 -6.397 -4.463 0.498
28 HZ2 TRP 3 HZ2 TRP 3 -7.480 -4.838 5.352
29 HZ3 TRP 3 HZ3 TRP 3 -5.945 -6.532 1.749
30 HH2 TRP 3 HH2 TRP 3 -6.476 -6.715 4.127
31 H LEU 4 H LEU 4 -5.479 -1.494 -1.971
32 HA LEU 4 HA LEU 4 -3.598 -3.449 -1.014
33 HB2 LEU 4 HB2 LEU 4 -4.801 -4.021 -2.966
34 HB3 LEU 4 HB3 LEU 4 -4.397 -2.495 -3.750
35 HG LEU 4 HG LEU 4 -2.034 -3.254 -3.883
36 HD11 LEU 4 HD11 LEU 4 -1.946 -5.889 -3.682
37 HD12 LEU 4 HD12 LEU 4 -1.617 -4.838 -2.303
38 HD13 LEU 4 HD13 LEU 4 -3.201 -5.594 -2.479
39 HD21 LEU 4 HD21 LEU 4 -4.230 -4.813 -5.203
40 HD22 LEU 4 HD22 LEU 4 -3.245 -3.508 -5.865
41 HD23 LEU 4 HD23 LEU 4 -2.534 -5.099 -5.589
42 H PHE 5 H PHE 5 -3.429 -0.302 -2.619
43 HA PHE 5 HA PHE 5 -0.680 -0.220 -3.090
44 HB2 PHE 5 HB2 PHE 5 -2.594 1.420 -3.789
45 HB3 PHE 5 HB3 PHE 5 -2.181 2.247 -2.291
46 HD1 PHE 5 HD1 PHE 5 -0.164 0.627 -4.980
47 HD2 PHE 5 HD2 PHE 5 -0.965 4.141 -2.715
48 HE1 PHE 5 HE1 PHE 5 1.676 1.786 -6.132
49 HE2 PHE 5 HE2 PHE 5 0.873 5.305 -3.864
50 HZ PHE 5 HZ PHE 5 2.197 4.127 -5.574
51 H ARG 6 H ARG 6 -2.544 0.597 -0.211
52 HA ARG 6 HA ARG 6 -0.580 1.842 1.302
53 HB2 ARG 6 HB2 ARG 6 -3.007 0.230 1.968
54 HB3 ARG 6 HB3 ARG 6 -1.893 0.653 3.261
55 HG2 ARG 6 HG2 ARG 6 -3.042 2.708 1.401
56 HG3 ARG 6 HG3 ARG 6 -3.858 2.204 2.883
57 HD2 ARG 6 HD2 ARG 6 -1.064 3.333 2.728
58 HD3 ARG 6 HD3 ARG 6 -2.504 4.242 3.188
59 HE ARG 6 HE ARG 6 -1.035 2.374 4.812
60 HH11 ARG 6 HH11 ARG 6 -4.093 3.962 4.307
61 HH12 ARG 6 HH12 ARG 6 -4.606 3.781 5.952
62 HH21 ARG 6 HH21 ARG 6 -1.700 2.131 6.981
63 HH22 ARG 6 HH22 ARG 6 -3.244 2.741 7.473
64 H GLY 7 H GLY 7 -1.346 -1.627 1.078
65 HA2 GLY 7 HA2 GLY 7 0.599 -2.513 2.908
66 HA3 GLY 7 HA3 GLY 7 -0.124 -3.487 1.636
67 H LYS 8 H LYS 8 0.793 -1.804 -0.531
68 HA LYS 8 HA LYS 8 3.347 -2.987 -0.935
69 HB2 LYS 8 HB2 LYS 8 1.870 -0.860 -2.497
70 HB3 LYS 8 HB3 LYS 8 3.359 -1.628 -3.034
71 HG2 LYS 8 HG2 LYS 8 0.917 -3.235 -2.372
72 HG3 LYS 8 HG3 LYS 8 1.153 -2.510 -3.965
73 HD2 LYS 8 HD2 LYS 8 3.209 -4.282 -2.666
74 HD3 LYS 8 HD3 LYS 8 1.917 -4.915 -3.688
75 HE2 LYS 8 HE2 LYS 8 3.928 -2.833 -4.536
76 HE3 LYS 8 HE3 LYS 8 4.043 -4.553 -4.907
77 HZ1 LYS 8 HZ1 LYS 8 2.312 -2.517 -6.053
78 HZ2 LYS 8 HZ2 LYS 8 2.985 -3.895 -6.767
79 HZ3 LYS 8 HZ3 LYS 8 1.602 -4.033 -5.802
80 H ALA 9 H ALA 9 2.252 0.224 -0.012
81 HA ALA 9 HA ALA 9 4.849 1.426 -0.205
82 HB1 ALA 9 HB1 ALA 9 2.280 2.359 1.061
83 HB2 ALA 9 HB2 ALA 9 3.754 3.325 1.002
84 HB3 ALA 9 HB3 ALA 9 2.955 2.845 -0.495
85 H ASP 10 H ASP 10 2.876 0.064 2.384
86 HA ASP 10 HA ASP 10 4.322 0.870 4.599
87 HB2 ASP 10 HB2 ASP 10 2.138 -0.483 4.479
88 HB3 ASP 10 HB3 ASP 10 3.173 -1.903 4.363
89 H VAL 11 H VAL 11 4.727 -2.198 2.822
90 HA VAL 11 HA VAL 11 7.037 -3.016 4.199
91 HB VAL 11 HB VAL 11 5.708 -4.597 2.915
92 HG11 VAL 11 HG11 VAL 11 5.239 -2.901 1.067
93 HG12 VAL 11 HG12 VAL 11 6.788 -3.392 0.384
94 HG13 VAL 11 HG13 VAL 11 5.494 -4.575 0.578
95 HG21 VAL 11 HG21 VAL 11 8.376 -4.503 1.552
96 HG22 VAL 11 HG22 VAL 11 8.246 -4.840 3.278
97 HG23 VAL 11 HG23 VAL 11 7.461 -5.904 2.112
98 H ALA 12 H ALA 12 6.580 -1.054 1.316
99 HA ALA 12 HA ALA 12 9.256 -1.014 0.442
100 HB1 ALA 12 HB1 ALA 12 6.813 0.536 -0.106
101 HB2 ALA 12 HB2 ALA 12 8.336 1.361 -0.438
102 HB3 ALA 12 HB3 ALA 12 7.980 -0.181 -1.217
103 H LEU 13 H LEU 13 10.888 0.537 0.713
104 HA LEU 13 HA LEU 13 10.642 2.127 3.180
105 HB2 LEU 13 HB2 LEU 13 12.287 0.370 3.376
106 HB3 LEU 13 HB3 LEU 13 13.072 0.898 1.889
107 HG LEU 13 HG LEU 13 13.372 3.138 3.263
108 HD11 LEU 13 HD11 LEU 13 13.006 1.013 5.356
109 HD12 LEU 13 HD12 LEU 13 13.936 2.485 5.642
110 HD13 LEU 13 HD13 LEU 13 12.221 2.589 5.243
111 HD21 LEU 13 HD21 LEU 13 15.191 0.903 4.036
112 HD22 LEU 13 HD22 LEU 13 15.052 1.358 2.339
113 HD23 LEU 13 HD23 LEU 13 15.579 2.548 3.531
114 HN1 NH2 14 HN1 NH2 14 9.805 3.965 2.137
115 HN2 NH2 14 HN2 NH2 14 10.734 4.992 1.138
Start of MODEL 16
1 H1 ILE 1 H ILE 1 -9.090 -0.348 -3.355
2 HA ILE 1 HA ILE 1 -6.822 -1.492 -4.846
3 HB ILE 1 HB ILE 1 -8.005 1.251 -5.287
4 HG12 ILE 1 HG12 ILE 1 -8.059 -1.145 -7.133
5 HG13 ILE 1 HG13 ILE 1 -9.413 -0.655 -6.120
6 HG21 ILE 1 HG21 ILE 1 -6.415 0.733 -7.425
7 HG22 ILE 1 HG22 ILE 1 -5.914 1.649 -6.003
8 HG23 ILE 1 HG23 ILE 1 -5.521 -0.065 -6.131
9 HD11 ILE 1 HD11 ILE 1 -9.878 0.216 -8.234
10 HD12 ILE 1 HD12 ILE 1 -9.273 1.589 -7.305
11 HD13 ILE 1 HD13 ILE 1 -8.221 0.776 -8.465
12 H PHE 2 H PHE 2 -7.849 1.364 -2.978
13 HA PHE 2 HA PHE 2 -5.349 2.368 -2.350
14 HB2 PHE 2 HB2 PHE 2 -6.417 3.493 -0.470
15 HB3 PHE 2 HB3 PHE 2 -7.477 3.533 -1.876
16 HD1 PHE 2 HD1 PHE 2 -7.035 2.348 1.518
17 HD2 PHE 2 HD2 PHE 2 -9.473 2.095 -1.961
18 HE1 PHE 2 HE1 PHE 2 -8.841 1.357 2.861
19 HE2 PHE 2 HE2 PHE 2 -11.284 1.102 -0.624
20 HZ PHE 2 HZ PHE 2 -10.969 0.733 1.790
21 H TRP 3 H TRP 3 -7.151 -0.244 -0.838
22 HA TRP 3 HA TRP 3 -5.565 -0.557 1.458
23 HB2 TRP 3 HB2 TRP 3 -7.830 -1.618 0.956
24 HB3 TRP 3 HB3 TRP 3 -6.948 -2.814 0.011
25 HD1 TRP 3 HD1 TRP 3 -5.224 -4.423 1.405
26 HE1 TRP 3 HE1 TRP 3 -5.328 -5.232 3.846
27 HE3 TRP 3 HE3 TRP 3 -8.533 -0.994 3.260
28 HZ2 TRP 3 HZ2 TRP 3 -6.639 -4.514 6.241
29 HZ3 TRP 3 HZ3 TRP 3 -9.160 -1.125 5.636
30 HH2 TRP 3 HH2 TRP 3 -8.232 -2.849 7.094
31 H LEU 4 H LEU 4 -5.257 -1.865 -1.804
32 HA LEU 4 HA LEU 4 -3.011 -3.531 -1.140
33 HB2 LEU 4 HB2 LEU 4 -4.372 -4.269 -2.923
34 HB3 LEU 4 HB3 LEU 4 -4.297 -2.701 -3.727
35 HG LEU 4 HG LEU 4 -1.963 -3.091 -4.302
36 HD11 LEU 4 HD11 LEU 4 -1.201 -4.396 -2.461
37 HD12 LEU 4 HD12 LEU 4 -2.353 -5.683 -2.820
38 HD13 LEU 4 HD13 LEU 4 -1.009 -5.370 -3.919
39 HD21 LEU 4 HD21 LEU 4 -3.586 -5.512 -5.058
40 HD22 LEU 4 HD22 LEU 4 -3.846 -3.910 -5.751
41 HD23 LEU 4 HD23 LEU 4 -2.304 -4.733 -5.985
42 H PHE 5 H PHE 5 -3.490 -0.375 -2.646
43 HA PHE 5 HA PHE 5 -0.849 0.068 -3.481
44 HB2 PHE 5 HB2 PHE 5 -3.076 1.417 -3.901
45 HB3 PHE 5 HB3 PHE 5 -2.531 2.341 -2.504
46 HD1 PHE 5 HD1 PHE 5 -1.890 1.508 -5.998
47 HD2 PHE 5 HD2 PHE 5 -0.534 3.709 -2.617
48 HE1 PHE 5 HE1 PHE 5 -0.416 2.831 -7.456
49 HE2 PHE 5 HE2 PHE 5 0.943 5.036 -4.069
50 HZ PHE 5 HZ PHE 5 1.003 4.599 -6.493
51 H ARG 6 H ARG 6 -2.491 1.245 -0.540
52 HA ARG 6 HA ARG 6 -0.296 2.436 0.668
53 HB2 ARG 6 HB2 ARG 6 -2.750 1.129 1.830
54 HB3 ARG 6 HB3 ARG 6 -1.545 1.918 2.840
55 HG2 ARG 6 HG2 ARG 6 -1.912 4.009 1.569
56 HG3 ARG 6 HG3 ARG 6 -3.201 3.197 0.676
57 HD2 ARG 6 HD2 ARG 6 -4.254 4.413 2.412
58 HD3 ARG 6 HD3 ARG 6 -4.279 2.721 2.905
59 HE ARG 6 HE ARG 6 -2.024 3.673 4.059
60 HH11 ARG 6 HH11 ARG 6 -5.342 4.726 4.051
61 HH12 ARG 6 HH12 ARG 6 -5.261 5.426 5.633
62 HH21 ARG 6 HH21 ARG 6 -1.903 4.591 6.143
63 HH22 ARG 6 HH22 ARG 6 -3.303 5.350 6.823
64 H GLY 7 H GLY 7 -1.459 -0.912 0.958
65 HA2 GLY 7 HA2 GLY 7 0.343 -1.841 2.855
66 HA3 GLY 7 HA3 GLY 7 -0.372 -2.832 1.591
67 H LYS 8 H LYS 8 0.722 -1.807 -0.682
68 HA LYS 8 HA LYS 8 3.183 -3.062 -0.855
69 HB2 LYS 8 HB2 LYS 8 1.543 -2.134 -2.694
70 HB3 LYS 8 HB3 LYS 8 2.594 -0.727 -2.629
71 HG2 LYS 8 HG2 LYS 8 3.845 -3.405 -2.925
72 HG3 LYS 8 HG3 LYS 8 3.028 -2.694 -4.318
73 HD2 LYS 8 HD2 LYS 8 4.985 -1.066 -2.751
74 HD3 LYS 8 HD3 LYS 8 5.570 -2.250 -3.923
75 HE2 LYS 8 HE2 LYS 8 3.565 -0.092 -4.565
76 HE3 LYS 8 HE3 LYS 8 5.302 0.077 -4.813
77 HZ1 LYS 8 HZ1 LYS 8 4.544 -2.320 -5.990
78 HZ2 LYS 8 HZ2 LYS 8 3.398 -1.172 -6.474
79 HZ3 LYS 8 HZ3 LYS 8 5.042 -0.902 -6.766
80 H ALA 9 H ALA 9 2.442 0.311 -0.147
81 HA ALA 9 HA ALA 9 5.174 1.166 -0.176
82 HB1 ALA 9 HB1 ALA 9 3.439 2.766 -0.646
83 HB2 ALA 9 HB2 ALA 9 2.693 2.478 0.924
84 HB3 ALA 9 HB3 ALA 9 4.276 3.247 0.829
85 H ASP 10 H ASP 10 2.890 0.123 2.296
86 HA ASP 10 HA ASP 10 4.296 0.850 4.583
87 HB2 ASP 10 HB2 ASP 10 1.952 -0.129 4.427
88 HB3 ASP 10 HB3 ASP 10 2.720 -1.710 4.318
89 H VAL 11 H VAL 11 4.379 -2.282 2.877
90 HA VAL 11 HA VAL 11 6.531 -3.290 4.456
91 HB VAL 11 HB VAL 11 6.620 -5.124 2.807
92 HG11 VAL 11 HG11 VAL 11 5.103 -5.792 4.333
93 HG12 VAL 11 HG12 VAL 11 4.185 -4.291 4.232
94 HG13 VAL 11 HG13 VAL 11 3.959 -5.547 3.014
95 HG21 VAL 11 HG21 VAL 11 6.105 -4.528 0.704
96 HG22 VAL 11 HG22 VAL 11 4.441 -4.843 1.198
97 HG23 VAL 11 HG23 VAL 11 5.074 -3.197 1.229
98 H ALA 12 H ALA 12 6.279 -1.669 1.349
99 HA ALA 12 HA ALA 12 9.217 -1.486 1.283
100 HB1 ALA 12 HB1 ALA 12 7.564 -1.649 -1.218
101 HB2 ALA 12 HB2 ALA 12 9.304 -1.863 -1.027
102 HB3 ALA 12 HB3 ALA 12 8.193 -3.090 -0.418
103 H LEU 13 H LEU 13 9.070 0.573 2.267
104 HA LEU 13 HA LEU 13 7.466 2.691 1.481
105 HB2 LEU 13 HB2 LEU 13 10.208 2.578 2.690
106 HB3 LEU 13 HB3 LEU 13 9.424 4.116 2.335
107 HG LEU 13 HG LEU 13 8.007 2.101 4.025
108 HD11 LEU 13 HD11 LEU 13 10.261 3.889 4.901
109 HD12 LEU 13 HD12 LEU 13 9.056 3.235 6.011
110 HD13 LEU 13 HD13 LEU 13 10.110 2.145 5.111
111 HD21 LEU 13 HD21 LEU 13 6.572 3.777 4.251
112 HD22 LEU 13 HD22 LEU 13 7.847 4.814 4.891
113 HD23 LEU 13 HD23 LEU 13 7.551 4.747 3.152
114 HN1 NH2 14 HN1 NH2 14 7.392 3.974 -0.246
115 HN2 NH2 14 HN2 NH2 14 8.563 4.134 -1.480
Start of MODEL 17
1 H1 ILE 1 H ILE 1 -9.032 -1.509 -4.517
2 HA ILE 1 HA ILE 1 -6.397 -1.643 -4.855
3 HB ILE 1 HB ILE 1 -7.864 -0.616 -6.516
4 HG12 ILE 1 HG12 ILE 1 -6.322 1.160 -7.294
5 HG13 ILE 1 HG13 ILE 1 -5.545 1.158 -5.715
6 HG21 ILE 1 HG21 ILE 1 -9.020 1.296 -6.231
7 HG22 ILE 1 HG22 ILE 1 -8.796 0.940 -4.517
8 HG23 ILE 1 HG23 ILE 1 -7.718 2.073 -5.332
9 HD11 ILE 1 HD11 ILE 1 -4.468 -0.811 -6.099
10 HD12 ILE 1 HD12 ILE 1 -5.704 -1.401 -7.210
11 HD13 ILE 1 HD13 ILE 1 -4.550 -0.178 -7.742
12 H PHE 2 H PHE 2 -7.993 0.683 -2.760
13 HA PHE 2 HA PHE 2 -5.775 2.322 -2.215
14 HB2 PHE 2 HB2 PHE 2 -8.155 1.689 -0.458
15 HB3 PHE 2 HB3 PHE 2 -7.034 3.024 -0.211
16 HD1 PHE 2 HD1 PHE 2 -9.914 1.827 -2.030
17 HD2 PHE 2 HD2 PHE 2 -6.959 4.885 -1.845
18 HE1 PHE 2 HE1 PHE 2 -11.298 3.250 -3.485
19 HE2 PHE 2 HE2 PHE 2 -8.339 6.311 -3.299
20 HZ PHE 2 HZ PHE 2 -10.511 5.494 -4.122
21 H TRP 3 H TRP 3 -7.039 -0.533 -0.528
22 HA TRP 3 HA TRP 3 -5.191 -0.555 1.578
23 HB2 TRP 3 HB2 TRP 3 -7.218 -1.909 1.627
24 HB3 TRP 3 HB3 TRP 3 -6.639 -2.866 0.267
25 HD1 TRP 3 HD1 TRP 3 -6.029 -5.180 1.165
26 HE1 TRP 3 HE1 TRP 3 -4.733 -6.093 3.193
27 HE3 TRP 3 HE3 TRP 3 -5.064 -0.769 3.562
28 HZ2 TRP 3 HZ2 TRP 3 -3.468 -5.076 5.503
29 HZ3 TRP 3 HZ3 TRP 3 -3.806 -0.826 5.677
30 HH2 TRP 3 HH2 TRP 3 -3.026 -2.936 6.624
31 H LEU 4 H LEU 4 -5.060 -2.000 -1.646
32 HA LEU 4 HA LEU 4 -2.613 -3.386 -1.236
33 HB2 LEU 4 HB2 LEU 4 -3.967 -4.170 -2.982
34 HB3 LEU 4 HB3 LEU 4 -4.162 -2.559 -3.668
35 HG LEU 4 HG LEU 4 -1.900 -2.591 -4.504
36 HD11 LEU 4 HD11 LEU 4 -1.014 -5.205 -4.148
37 HD12 LEU 4 HD12 LEU 4 -0.362 -3.747 -3.398
38 HD13 LEU 4 HD13 LEU 4 -1.589 -4.696 -2.559
39 HD21 LEU 4 HD21 LEU 4 -2.104 -4.303 -6.166
40 HD22 LEU 4 HD22 LEU 4 -3.199 -5.234 -5.144
41 HD23 LEU 4 HD23 LEU 4 -3.719 -3.687 -5.811
42 H PHE 5 H PHE 5 -3.389 -0.337 -2.907
43 HA PHE 5 HA PHE 5 -0.817 0.368 -3.672
44 HB2 PHE 5 HB2 PHE 5 -2.691 1.605 -4.516
45 HB3 PHE 5 HB3 PHE 5 -3.168 2.098 -2.895
46 HD1 PHE 5 HD1 PHE 5 0.078 2.172 -4.730
47 HD2 PHE 5 HD2 PHE 5 -2.925 4.366 -2.661
48 HE1 PHE 5 HE1 PHE 5 1.418 4.223 -4.967
49 HE2 PHE 5 HE2 PHE 5 -1.591 6.420 -2.895
50 HZ PHE 5 HZ PHE 5 0.584 6.350 -4.049
51 H ARG 6 H ARG 6 -2.481 0.905 -0.604
52 HA ARG 6 HA ARG 6 -0.371 2.462 0.537
53 HB2 ARG 6 HB2 ARG 6 -2.893 2.351 1.189
54 HB3 ARG 6 HB3 ARG 6 -2.402 0.973 2.166
55 HG2 ARG 6 HG2 ARG 6 -0.711 2.466 3.256
56 HG3 ARG 6 HG3 ARG 6 -1.459 3.817 2.402
57 HD2 ARG 6 HD2 ARG 6 -3.579 3.366 3.489
58 HD3 ARG 6 HD3 ARG 6 -2.893 1.951 4.287
59 HE ARG 6 HE ARG 6 -2.639 4.672 5.106
60 HH11 ARG 6 HH11 ARG 6 -1.030 1.585 5.088
61 HH12 ARG 6 HH12 ARG 6 -0.083 1.925 6.498
62 HH21 ARG 6 HH21 ARG 6 -1.398 5.131 6.963
63 HH22 ARG 6 HH22 ARG 6 -0.294 3.941 7.565
64 H GLY 7 H GLY 7 -1.533 -0.860 1.140
65 HA2 GLY 7 HA2 GLY 7 0.389 -1.655 2.964
66 HA3 GLY 7 HA3 GLY 7 -0.407 -2.740 1.833
67 H LYS 8 H LYS 8 0.580 -1.718 -0.576
68 HA LYS 8 HA LYS 8 2.967 -3.099 -0.866
69 HB2 LYS 8 HB2 LYS 8 1.388 -2.343 -2.693
70 HB3 LYS 8 HB3 LYS 8 2.131 -0.753 -2.573
71 HG2 LYS 8 HG2 LYS 8 4.339 -1.907 -3.028
72 HG3 LYS 8 HG3 LYS 8 3.389 -3.330 -3.460
73 HD2 LYS 8 HD2 LYS 8 2.991 -0.617 -4.710
74 HD3 LYS 8 HD3 LYS 8 4.052 -1.854 -5.386
75 HE2 LYS 8 HE2 LYS 8 2.163 -3.382 -5.579
76 HE3 LYS 8 HE3 LYS 8 1.098 -2.173 -4.865
77 HZ1 LYS 8 HZ1 LYS 8 2.614 -1.360 -7.217
78 HZ2 LYS 8 HZ2 LYS 8 1.370 -2.477 -7.471
79 HZ3 LYS 8 HZ3 LYS 8 1.029 -0.978 -6.765
80 H ALA 9 H ALA 9 2.410 0.299 -0.123
81 HA ALA 9 HA ALA 9 5.191 1.008 -0.293
82 HB1 ALA 9 HB1 ALA 9 3.279 2.586 -0.707
83 HB2 ALA 9 HB2 ALA 9 2.995 2.586 1.033
84 HB3 ALA 9 HB3 ALA 9 4.525 3.184 0.387
85 H ASP 10 H ASP 10 2.901 0.264 2.292
86 HA ASP 10 HA ASP 10 4.446 0.947 4.497
87 HB2 ASP 10 HB2 ASP 10 1.991 0.061 4.323
88 HB3 ASP 10 HB3 ASP 10 2.740 -1.518 4.541
89 H VAL 11 H VAL 11 4.125 -2.302 3.056
90 HA VAL 11 HA VAL 11 6.242 -3.420 4.573
91 HB VAL 11 HB VAL 11 4.496 -4.826 3.608
92 HG11 VAL 11 HG11 VAL 11 3.937 -4.898 1.426
93 HG12 VAL 11 HG12 VAL 11 4.721 -3.319 1.374
94 HG13 VAL 11 HG13 VAL 11 5.609 -4.762 0.884
95 HG21 VAL 11 HG21 VAL 11 5.887 -6.624 2.814
96 HG22 VAL 11 HG22 VAL 11 7.179 -5.496 2.403
97 HG23 VAL 11 HG23 VAL 11 6.742 -5.761 4.092
98 H ALA 12 H ALA 12 6.069 -1.911 1.404
99 HA ALA 12 HA ALA 12 7.667 -1.231 -0.068
100 HB1 ALA 12 HB1 ALA 12 9.546 -1.373 2.284
101 HB2 ALA 12 HB2 ALA 12 9.728 -0.399 0.824
102 HB3 ALA 12 HB3 ALA 12 8.441 -0.033 1.974
103 H LEU 13 H LEU 13 7.145 -3.901 -0.217
104 HA LEU 13 HA LEU 13 9.759 -5.223 -0.401
105 HB2 LEU 13 HB2 LEU 13 8.115 -6.456 0.848
106 HB3 LEU 13 HB3 LEU 13 6.951 -6.315 -0.467
107 HG LEU 13 HG LEU 13 8.450 -7.733 -1.861
108 HD11 LEU 13 HD11 LEU 13 10.186 -9.040 -0.706
109 HD12 LEU 13 HD12 LEU 13 10.554 -7.315 -0.744
110 HD13 LEU 13 HD13 LEU 13 9.945 -8.055 0.738
111 HD21 LEU 13 HD21 LEU 13 6.800 -9.076 -1.112
112 HD22 LEU 13 HD22 LEU 13 8.099 -9.787 -0.154
113 HD23 LEU 13 HD23 LEU 13 7.020 -8.592 0.570
114 HN1 NH2 14 HN1 NH2 14 10.726 -5.329 -2.308
115 HN2 NH2 14 HN2 NH2 14 10.009 -5.280 -3.857
Start of MODEL 18
1 H1 ILE 1 H ILE 1 -9.796 -0.969 -4.010
2 HA ILE 1 HA ILE 1 -7.319 -1.925 -4.258
3 HB ILE 1 HB ILE 1 -6.806 -0.209 -5.944
4 HG12 ILE 1 HG12 ILE 1 -9.042 1.348 -6.190
5 HG13 ILE 1 HG13 ILE 1 -8.875 1.251 -4.441
6 HG21 ILE 1 HG21 ILE 1 -8.713 -2.107 -6.062
7 HG22 ILE 1 HG22 ILE 1 -9.668 -0.678 -6.453
8 HG23 ILE 1 HG23 ILE 1 -8.257 -1.089 -7.428
9 HD11 ILE 1 HD11 ILE 1 -6.313 1.782 -5.335
10 HD12 ILE 1 HD12 ILE 1 -7.351 2.768 -6.365
11 HD13 ILE 1 HD13 ILE 1 -7.441 2.929 -4.612
12 H PHE 2 H PHE 2 -8.127 1.090 -2.648
13 HA PHE 2 HA PHE 2 -5.587 2.189 -2.374
14 HB2 PHE 2 HB2 PHE 2 -7.961 2.315 -0.505
15 HB3 PHE 2 HB3 PHE 2 -6.522 3.316 -0.337
16 HD1 PHE 2 HD1 PHE 2 -9.702 2.953 -1.914
17 HD2 PHE 2 HD2 PHE 2 -5.913 4.863 -2.255
18 HE1 PHE 2 HE1 PHE 2 -10.677 4.603 -3.458
19 HE2 PHE 2 HE2 PHE 2 -6.882 6.517 -3.796
20 HZ PHE 2 HZ PHE 2 -9.266 6.388 -4.402
21 H TRP 3 H TRP 3 -7.197 -0.312 -0.500
22 HA TRP 3 HA TRP 3 -5.456 -0.457 1.673
23 HB2 TRP 3 HB2 TRP 3 -7.681 -1.674 1.321
24 HB3 TRP 3 HB3 TRP 3 -6.755 -2.870 0.417
25 HD1 TRP 3 HD1 TRP 3 -4.650 -4.026 1.911
26 HE1 TRP 3 HE1 TRP 3 -4.704 -4.779 4.373
27 HE3 TRP 3 HE3 TRP 3 -8.662 -1.291 3.508
28 HZ2 TRP 3 HZ2 TRP 3 -6.245 -4.280 6.685
29 HZ3 TRP 3 HZ3 TRP 3 -9.363 -1.485 5.860
30 HH2 TRP 3 HH2 TRP 3 -8.177 -2.951 7.413
31 H LEU 4 H LEU 4 -5.269 -1.996 -1.508
32 HA LEU 4 HA LEU 4 -2.873 -3.444 -0.888
33 HB2 LEU 4 HB2 LEU 4 -4.187 -2.832 -3.532
34 HB3 LEU 4 HB3 LEU 4 -2.835 -3.940 -3.306
35 HG LEU 4 HG LEU 4 -5.364 -4.423 -1.800
36 HD11 LEU 4 HD11 LEU 4 -4.989 -5.411 -4.610
37 HD12 LEU 4 HD12 LEU 4 -6.427 -5.499 -3.593
38 HD13 LEU 4 HD13 LEU 4 -5.898 -3.946 -4.241
39 HD21 LEU 4 HD21 LEU 4 -4.669 -6.705 -1.938
40 HD22 LEU 4 HD22 LEU 4 -3.413 -6.310 -3.111
41 HD23 LEU 4 HD23 LEU 4 -3.274 -5.746 -1.445
42 H PHE 5 H PHE 5 -3.642 -0.506 -2.718
43 HA PHE 5 HA PHE 5 -1.150 0.081 -3.754
44 HB2 PHE 5 HB2 PHE 5 -3.189 1.351 -4.292
45 HB3 PHE 5 HB3 PHE 5 -3.184 2.043 -2.673
46 HD1 PHE 5 HD1 PHE 5 -1.143 1.803 -5.767
47 HD2 PHE 5 HD2 PHE 5 -2.051 4.022 -2.249
48 HE1 PHE 5 HE1 PHE 5 0.282 3.644 -6.563
49 HE2 PHE 5 HE2 PHE 5 -0.628 5.867 -3.041
50 HZ PHE 5 HZ PHE 5 0.542 5.679 -5.201
51 H ARG 6 H ARG 6 -2.480 1.182 -0.637
52 HA ARG 6 HA ARG 6 -0.107 2.447 0.226
53 HB2 ARG 6 HB2 ARG 6 -1.156 2.546 2.413
54 HB3 ARG 6 HB3 ARG 6 -2.340 2.926 1.170
55 HG2 ARG 6 HG2 ARG 6 -2.984 0.441 1.318
56 HG3 ARG 6 HG3 ARG 6 -2.101 0.460 2.846
57 HD2 ARG 6 HD2 ARG 6 -3.561 2.564 3.338
58 HD3 ARG 6 HD3 ARG 6 -4.603 1.902 2.079
59 HE ARG 6 HE ARG 6 -4.193 -0.203 3.741
60 HH11 ARG 6 HH11 ARG 6 -5.302 3.064 4.208
61 HH12 ARG 6 HH12 ARG 6 -6.314 2.667 5.557
62 HH21 ARG 6 HH21 ARG 6 -5.521 -0.738 5.516
63 HH22 ARG 6 HH22 ARG 6 -6.437 0.504 6.300
64 H GLY 7 H GLY 7 -1.344 -0.829 0.585
65 HA2 GLY 7 HA2 GLY 7 0.378 -1.788 2.552
66 HA3 GLY 7 HA3 GLY 7 -0.321 -2.767 1.271
67 H LYS 8 H LYS 8 0.910 -1.463 -0.926
68 HA LYS 8 HA LYS 8 3.293 -2.888 -1.134
69 HB2 LYS 8 HB2 LYS 8 1.790 -1.734 -2.947
70 HB3 LYS 8 HB3 LYS 8 2.879 -0.374 -2.710
71 HG2 LYS 8 HG2 LYS 8 3.721 -1.595 -4.540
72 HG3 LYS 8 HG3 LYS 8 4.779 -1.959 -3.175
73 HD2 LYS 8 HD2 LYS 8 3.537 -4.055 -2.802
74 HD3 LYS 8 HD3 LYS 8 2.534 -3.692 -4.209
75 HE2 LYS 8 HE2 LYS 8 4.862 -3.497 -5.411
76 HE3 LYS 8 HE3 LYS 8 5.399 -4.508 -4.070
77 HZ1 LYS 8 HZ1 LYS 8 4.775 -5.934 -5.838
78 HZ2 LYS 8 HZ2 LYS 8 3.556 -6.054 -4.671
79 HZ3 LYS 8 HZ3 LYS 8 3.301 -5.137 -6.070
80 H ALA 9 H ALA 9 2.721 0.473 -0.209
81 HA ALA 9 HA ALA 9 5.519 1.096 -0.001
82 HB1 ALA 9 HB1 ALA 9 4.860 3.254 0.612
83 HB2 ALA 9 HB2 ALA 9 3.608 2.721 -0.508
84 HB3 ALA 9 HB3 ALA 9 3.304 2.702 1.229
85 H ASP 10 H ASP 10 2.923 0.227 2.224
86 HA ASP 10 HA ASP 10 4.132 0.758 4.653
87 HB2 ASP 10 HB2 ASP 10 1.844 0.079 4.625
88 HB3 ASP 10 HB3 ASP 10 2.240 -1.450 3.846
89 H VAL 11 H VAL 11 4.200 -2.337 2.880
90 HA VAL 11 HA VAL 11 5.935 -3.696 4.574
91 HB VAL 11 HB VAL 11 6.498 -5.108 2.599
92 HG11 VAL 11 HG11 VAL 11 4.616 -6.222 3.006
93 HG12 VAL 11 HG12 VAL 11 4.072 -4.823 3.934
94 HG13 VAL 11 HG13 VAL 11 3.638 -4.976 2.231
95 HG21 VAL 11 HG21 VAL 11 5.266 -4.648 0.487
96 HG22 VAL 11 HG22 VAL 11 4.813 -3.075 1.143
97 HG23 VAL 11 HG23 VAL 11 6.512 -3.455 0.856
98 H ALA 12 H ALA 12 6.621 -1.464 1.943
99 HA ALA 12 HA ALA 12 9.464 -1.919 2.035
100 HB1 ALA 12 HB1 ALA 12 9.367 0.261 0.574
101 HB2 ALA 12 HB2 ALA 12 8.847 -1.291 -0.083
102 HB3 ALA 12 HB3 ALA 12 7.649 -0.131 0.490
103 H LEU 13 H LEU 13 9.260 -1.482 4.497
104 HA LEU 13 HA LEU 13 9.013 1.193 5.400
105 HB2 LEU 13 HB2 LEU 13 8.841 -0.998 6.726
106 HB3 LEU 13 HB3 LEU 13 10.600 -0.932 6.802
107 HG LEU 13 HG LEU 13 9.007 1.415 7.737
108 HD11 LEU 13 HD11 LEU 13 9.639 -0.901 9.540
109 HD12 LEU 13 HD12 LEU 13 8.627 0.507 9.865
110 HD13 LEU 13 HD13 LEU 13 8.078 -0.732 8.737
111 HD21 LEU 13 HD21 LEU 13 11.712 0.737 7.626
112 HD22 LEU 13 HD22 LEU 13 10.986 2.102 8.472
113 HD23 LEU 13 HD23 LEU 13 11.261 0.584 9.324
114 HN1 NH2 14 HN1 NH2 14 10.335 2.764 4.755
115 HN2 NH2 14 HN2 NH2 14 12.039 2.714 4.639
Start of MODEL 19
1 H1 ILE 1 H ILE 1 -5.683 -0.653 -6.025
2 HA ILE 1 HA ILE 1 -8.177 0.182 -4.856
3 HB ILE 1 HB ILE 1 -6.874 -2.309 -3.757
4 HG12 ILE 1 HG12 ILE 1 -9.521 -2.042 -5.198
5 HG13 ILE 1 HG13 ILE 1 -8.052 -2.687 -5.924
6 HG21 ILE 1 HG21 ILE 1 -9.421 -2.079 -2.722
7 HG22 ILE 1 HG22 ILE 1 -7.918 -1.676 -1.892
8 HG23 ILE 1 HG23 ILE 1 -8.826 -0.417 -2.731
9 HD11 ILE 1 HD11 ILE 1 -9.954 -3.934 -4.085
10 HD12 ILE 1 HD12 ILE 1 -8.892 -4.656 -5.293
11 HD13 ILE 1 HD13 ILE 1 -8.256 -4.224 -3.705
12 H PHE 2 H PHE 2 -7.909 1.313 -2.947
13 HA PHE 2 HA PHE 2 -5.352 2.434 -2.485
14 HB2 PHE 2 HB2 PHE 2 -7.921 2.560 -0.901
15 HB3 PHE 2 HB3 PHE 2 -6.478 3.475 -0.476
16 HD1 PHE 2 HD1 PHE 2 -9.215 3.114 -2.874
17 HD2 PHE 2 HD2 PHE 2 -5.768 5.363 -1.790
18 HE1 PHE 2 HE1 PHE 2 -9.903 4.904 -4.415
19 HE2 PHE 2 HE2 PHE 2 -6.451 7.157 -3.329
20 HZ PHE 2 HZ PHE 2 -8.520 6.929 -4.646
21 H TRP 3 H TRP 3 -7.297 0.079 -0.682
22 HA TRP 3 HA TRP 3 -5.647 -0.227 1.535
23 HB2 TRP 3 HB2 TRP 3 -7.619 -2.006 0.156
24 HB3 TRP 3 HB3 TRP 3 -6.624 -2.667 1.450
25 HD1 TRP 3 HD1 TRP 3 -8.764 0.565 1.057
26 HE1 TRP 3 HE1 TRP 3 -10.120 0.872 3.222
27 HE3 TRP 3 HE3 TRP 3 -7.116 -3.531 3.634
28 HZ2 TRP 3 HZ2 TRP 3 -10.450 -0.449 5.695
29 HZ3 TRP 3 HZ3 TRP 3 -8.002 -3.938 5.893
30 HH2 TRP 3 HH2 TRP 3 -9.633 -2.427 6.901
31 H LEU 4 H LEU 4 -5.458 -1.705 -1.657
32 HA LEU 4 HA LEU 4 -3.306 -3.469 -0.952
33 HB2 LEU 4 HB2 LEU 4 -4.448 -2.626 -3.608
34 HB3 LEU 4 HB3 LEU 4 -3.160 -3.815 -3.425
35 HG LEU 4 HG LEU 4 -5.934 -4.108 -2.277
36 HD11 LEU 4 HD11 LEU 4 -6.253 -5.776 -4.070
37 HD12 LEU 4 HD12 LEU 4 -6.064 -4.132 -4.685
38 HD13 LEU 4 HD13 LEU 4 -4.719 -5.270 -4.780
39 HD21 LEU 4 HD21 LEU 4 -4.312 -6.486 -2.707
40 HD22 LEU 4 HD22 LEU 4 -3.596 -5.364 -1.550
41 HD23 LEU 4 HD23 LEU 4 -5.228 -5.980 -1.288
42 H PHE 5 H PHE 5 -3.585 -0.420 -2.747
43 HA PHE 5 HA PHE 5 -0.914 -0.161 -3.506
44 HB2 PHE 5 HB2 PHE 5 -2.928 1.249 -4.224
45 HB3 PHE 5 HB3 PHE 5 -2.662 2.173 -2.749
46 HD1 PHE 5 HD1 PHE 5 -0.774 0.932 -5.716
47 HD2 PHE 5 HD2 PHE 5 -1.331 4.040 -2.864
48 HE1 PHE 5 HE1 PHE 5 0.904 2.299 -6.884
49 HE2 PHE 5 HE2 PHE 5 0.345 5.414 -4.027
50 HZ PHE 5 HZ PHE 5 1.466 4.545 -6.040
51 H ARG 6 H ARG 6 -2.545 0.707 -0.508
52 HA ARG 6 HA ARG 6 -0.441 2.167 0.658
53 HB2 ARG 6 HB2 ARG 6 -2.929 1.898 1.387
54 HB3 ARG 6 HB3 ARG 6 -2.336 0.508 2.287
55 HG2 ARG 6 HG2 ARG 6 -0.951 3.123 2.609
56 HG3 ARG 6 HG3 ARG 6 -2.506 2.869 3.404
57 HD2 ARG 6 HD2 ARG 6 -1.512 0.720 4.324
58 HD3 ARG 6 HD3 ARG 6 0.047 1.325 3.767
59 HE ARG 6 HE ARG 6 0.063 2.804 5.515
60 HH11 ARG 6 HH11 ARG 6 -3.145 1.508 5.137
61 HH12 ARG 6 HH12 ARG 6 -3.743 2.209 6.604
62 HH21 ARG 6 HH21 ARG 6 -0.712 3.733 7.450
63 HH22 ARG 6 HH22 ARG 6 -2.359 3.476 7.919
64 H GLY 7 H GLY 7 -1.296 -1.274 0.832
65 HA2 GLY 7 HA2 GLY 7 0.612 -2.094 2.689
66 HA3 GLY 7 HA3 GLY 7 -0.050 -3.111 1.417
67 H LYS 8 H LYS 8 0.910 -1.805 -0.836
68 HA LYS 8 HA LYS 8 3.418 -2.918 -1.173
69 HB2 LYS 8 HB2 LYS 8 1.916 -0.766 -2.620
70 HB3 LYS 8 HB3 LYS 8 3.577 -1.121 -3.075
71 HG2 LYS 8 HG2 LYS 8 1.491 -3.268 -2.920
72 HG3 LYS 8 HG3 LYS 8 1.724 -2.288 -4.369
73 HD2 LYS 8 HD2 LYS 8 4.006 -3.737 -3.060
74 HD3 LYS 8 HD3 LYS 8 2.955 -4.533 -4.233
75 HE2 LYS 8 HE2 LYS 8 3.475 -2.641 -5.812
76 HE3 LYS 8 HE3 LYS 8 4.698 -2.112 -4.658
77 HZ1 LYS 8 HZ1 LYS 8 4.907 -4.897 -5.301
78 HZ2 LYS 8 HZ2 LYS 8 5.076 -3.905 -6.663
79 HZ3 LYS 8 HZ3 LYS 8 6.093 -3.692 -5.327
80 H ALA 9 H ALA 9 2.543 0.303 -0.062
81 HA ALA 9 HA ALA 9 5.290 1.207 -0.012
82 HB1 ALA 9 HB1 ALA 9 2.921 2.516 -0.238
83 HB2 ALA 9 HB2 ALA 9 3.299 2.776 1.465
84 HB3 ALA 9 HB3 ALA 9 4.446 3.274 0.222
85 H ASP 10 H ASP 10 2.858 0.102 2.288
86 HA ASP 10 HA ASP 10 4.080 0.752 4.682
87 HB2 ASP 10 HB2 ASP 10 1.803 -0.283 4.381
88 HB3 ASP 10 HB3 ASP 10 2.607 -1.834 4.154
89 H VAL 11 H VAL 11 4.532 -2.179 2.721
90 HA VAL 11 HA VAL 11 6.421 -3.396 4.425
91 HB VAL 11 HB VAL 11 7.029 -4.775 2.455
92 HG11 VAL 11 HG11 VAL 11 5.106 -6.024 2.531
93 HG12 VAL 11 HG12 VAL 11 4.881 -4.999 3.949
94 HG13 VAL 11 HG13 VAL 11 4.055 -4.610 2.440
95 HG21 VAL 11 HG21 VAL 11 5.149 -2.907 1.021
96 HG22 VAL 11 HG22 VAL 11 6.862 -3.163 0.690
97 HG23 VAL 11 HG23 VAL 11 5.700 -4.451 0.372
98 H ALA 12 H ALA 12 6.735 -1.120 1.761
99 HA ALA 12 HA ALA 12 9.547 -1.287 1.485
100 HB1 ALA 12 HB1 ALA 12 9.120 1.137 0.532
101 HB2 ALA 12 HB2 ALA 12 8.616 -0.303 -0.351
102 HB3 ALA 12 HB3 ALA 12 7.439 0.609 0.594
103 H LEU 13 H LEU 13 7.437 0.616 3.549
104 HA LEU 13 HA LEU 13 9.616 2.234 4.554
105 HB2 LEU 13 HB2 LEU 13 7.490 3.298 4.353
106 HB3 LEU 13 HB3 LEU 13 6.703 2.024 5.283
107 HG LEU 13 HG LEU 13 7.842 2.773 7.302
108 HD11 LEU 13 HD11 LEU 13 9.518 4.131 5.426
109 HD12 LEU 13 HD12 LEU 13 8.828 5.299 6.552
110 HD13 LEU 13 HD13 LEU 13 9.735 3.915 7.163
111 HD21 LEU 13 HD21 LEU 13 6.845 5.162 7.320
112 HD22 LEU 13 HD22 LEU 13 6.251 4.748 5.712
113 HD23 LEU 13 HD23 LEU 13 5.765 3.783 7.107
114 HN1 NH2 14 HN1 NH2 14 11.040 1.262 5.849
115 HN2 NH2 14 HN2 NH2 14 10.711 0.244 7.180
Start of MODEL 20
1 H1 ILE 1 H ILE 1 -5.521 -1.001 -5.916
2 HA ILE 1 HA ILE 1 -8.052 0.099 -4.945
3 HB ILE 1 HB ILE 1 -6.850 -2.414 -3.779
4 HG12 ILE 1 HG12 ILE 1 -9.395 -2.107 -5.386
5 HG13 ILE 1 HG13 ILE 1 -7.889 -2.761 -6.022
6 HG21 ILE 1 HG21 ILE 1 -7.981 -1.018 -2.141
7 HG22 ILE 1 HG22 ILE 1 -9.415 -0.954 -3.166
8 HG23 ILE 1 HG23 ILE 1 -8.910 -2.484 -2.452
9 HD11 ILE 1 HD11 ILE 1 -8.978 -4.686 -5.502
10 HD12 ILE 1 HD12 ILE 1 -8.136 -4.399 -3.979
11 HD13 ILE 1 HD13 ILE 1 -9.838 -3.965 -4.141
12 H PHE 2 H PHE 2 -7.866 1.340 -3.137
13 HA PHE 2 HA PHE 2 -5.425 2.480 -2.477
14 HB2 PHE 2 HB2 PHE 2 -8.010 2.342 -0.925
15 HB3 PHE 2 HB3 PHE 2 -6.632 3.308 -0.408
16 HD1 PHE 2 HD1 PHE 2 -9.670 3.482 -2.001
17 HD2 PHE 2 HD2 PHE 2 -5.648 4.797 -2.456
18 HE1 PHE 2 HE1 PHE 2 -10.440 5.333 -3.426
19 HE2 PHE 2 HE2 PHE 2 -6.411 6.649 -3.882
20 HZ PHE 2 HZ PHE 2 -8.810 6.920 -4.370
21 H TRP 3 H TRP 3 -7.271 0.042 -0.653
22 HA TRP 3 HA TRP 3 -5.550 -0.310 1.477
23 HB2 TRP 3 HB2 TRP 3 -7.823 -1.358 1.172
24 HB3 TRP 3 HB3 TRP 3 -7.061 -2.547 0.120
25 HD1 TRP 3 HD1 TRP 3 -6.759 -1.309 3.785
26 HE1 TRP 3 HE1 TRP 3 -6.074 -3.317 5.244
27 HE3 TRP 3 HE3 TRP 3 -6.214 -4.828 0.117
28 HZ2 TRP 3 HZ2 TRP 3 -5.393 -6.033 4.884
29 HZ3 TRP 3 HZ3 TRP 3 -5.543 -7.106 0.758
30 HH2 TRP 3 HH2 TRP 3 -5.141 -7.694 3.092
31 H LEU 4 H LEU 4 -5.385 -1.713 -1.756
32 HA LEU 4 HA LEU 4 -3.223 -3.471 -1.208
33 HB2 LEU 4 HB2 LEU 4 -4.547 -3.974 -3.084
34 HB3 LEU 4 HB3 LEU 4 -4.393 -2.342 -3.731
35 HG LEU 4 HG LEU 4 -2.101 -2.759 -4.356
36 HD11 LEU 4 HD11 LEU 4 -2.507 -5.300 -2.829
37 HD12 LEU 4 HD12 LEU 4 -1.310 -5.208 -4.122
38 HD13 LEU 4 HD13 LEU 4 -1.188 -4.131 -2.729
39 HD21 LEU 4 HD21 LEU 4 -2.472 -4.677 -5.952
40 HD22 LEU 4 HD22 LEU 4 -4.057 -4.883 -5.205
41 HD23 LEU 4 HD23 LEU 4 -3.660 -3.376 -6.029
42 H PHE 5 H PHE 5 -3.381 -0.288 -2.793
43 HA PHE 5 HA PHE 5 -0.653 0.007 -3.296
44 HB2 PHE 5 HB2 PHE 5 -2.457 1.463 -4.219
45 HB3 PHE 5 HB3 PHE 5 -2.610 2.214 -2.634
46 HD1 PHE 5 HD1 PHE 5 0.314 1.278 -4.756
47 HD2 PHE 5 HD2 PHE 5 -1.776 4.347 -2.675
48 HE1 PHE 5 HE1 PHE 5 2.083 2.880 -5.351
49 HE2 PHE 5 HE2 PHE 5 -0.010 5.956 -3.267
50 HZ PHE 5 HZ PHE 5 1.923 5.222 -4.605
51 H ARG 6 H ARG 6 -2.548 0.736 -0.416
52 HA ARG 6 HA ARG 6 -0.616 2.157 1.019
53 HB2 ARG 6 HB2 ARG 6 -3.089 1.809 1.574
54 HB3 ARG 6 HB3 ARG 6 -2.600 0.273 2.280
55 HG2 ARG 6 HG2 ARG 6 -0.895 1.793 3.584
56 HG3 ARG 6 HG3 ARG 6 -2.084 3.044 3.217
57 HD2 ARG 6 HD2 ARG 6 -3.780 1.934 4.399
58 HD3 ARG 6 HD3 ARG 6 -2.881 0.417 4.429
59 HE ARG 6 HE ARG 6 -1.846 1.132 6.330
60 HH11 ARG 6 HH11 ARG 6 -3.168 3.895 4.676
61 HH12 ARG 6 HH12 ARG 6 -2.769 5.008 5.943
62 HH21 ARG 6 HH21 ARG 6 -1.315 2.587 8.004
63 HH22 ARG 6 HH22 ARG 6 -1.714 4.263 7.835
64 H GLY 7 H GLY 7 -1.332 -1.330 1.000
65 HA2 GLY 7 HA2 GLY 7 0.655 -2.064 2.860
66 HA3 GLY 7 HA3 GLY 7 -0.088 -3.134 1.681
67 H LYS 8 H LYS 8 0.726 -1.877 -0.679
68 HA LYS 8 HA LYS 8 3.199 -3.029 -1.145
69 HB2 LYS 8 HB2 LYS 8 1.715 -0.828 -2.565
70 HB3 LYS 8 HB3 LYS 8 3.267 -1.418 -3.147
71 HG2 LYS 8 HG2 LYS 8 2.137 -3.747 -3.047
72 HG3 LYS 8 HG3 LYS 8 0.635 -2.824 -3.028
73 HD2 LYS 8 HD2 LYS 8 1.579 -1.606 -5.076
74 HD3 LYS 8 HD3 LYS 8 2.754 -2.922 -5.156
75 HE2 LYS 8 HE2 LYS 8 1.036 -4.541 -5.457
76 HE3 LYS 8 HE3 LYS 8 -0.224 -3.366 -5.080
77 HZ1 LYS 8 HZ1 LYS 8 0.658 -2.123 -7.110
78 HZ2 LYS 8 HZ2 LYS 8 1.424 -3.576 -7.519
79 HZ3 LYS 8 HZ3 LYS 8 -0.261 -3.518 -7.380
80 H ALA 9 H ALA 9 2.418 0.267 -0.164
81 HA ALA 9 HA ALA 9 5.176 1.122 -0.280
82 HB1 ALA 9 HB1 ALA 9 3.407 2.707 -0.801
83 HB2 ALA 9 HB2 ALA 9 2.739 2.516 0.820
84 HB3 ALA 9 HB3 ALA 9 4.331 3.245 0.604
85 H ASP 10 H ASP 10 2.861 0.119 2.171
86 HA ASP 10 HA ASP 10 4.170 0.894 4.480
87 HB2 ASP 10 HB2 ASP 10 1.886 -0.250 4.215
88 HB3 ASP 10 HB3 ASP 10 2.781 -1.767 4.234
89 H VAL 11 H VAL 11 4.410 -2.308 2.921
90 HA VAL 11 HA VAL 11 6.423 -3.357 4.508
91 HB VAL 11 HB VAL 11 5.209 -4.746 2.937
92 HG11 VAL 11 HG11 VAL 11 6.740 -3.429 0.705
93 HG12 VAL 11 HG12 VAL 11 5.431 -4.605 0.579
94 HG13 VAL 11 HG13 VAL 11 5.096 -2.971 1.153
95 HG21 VAL 11 HG21 VAL 11 7.591 -5.287 3.662
96 HG22 VAL 11 HG22 VAL 11 6.975 -6.138 2.245
97 HG23 VAL 11 HG23 VAL 11 8.079 -4.777 2.046
98 H ALA 12 H ALA 12 6.658 -1.246 1.700
99 HA ALA 12 HA ALA 12 9.469 -1.429 1.382
100 HB1 ALA 12 HB1 ALA 12 9.069 -0.212 -0.435
101 HB2 ALA 12 HB2 ALA 12 7.365 -0.215 0.018
102 HB3 ALA 12 HB3 ALA 12 8.409 1.113 0.524
103 H LEU 13 H LEU 13 7.378 0.620 3.321
104 HA LEU 13 HA LEU 13 7.797 2.121 4.976
105 HB2 LEU 13 HB2 LEU 13 9.277 0.034 5.587
106 HB3 LEU 13 HB3 LEU 13 10.599 1.140 5.225
107 HG LEU 13 HG LEU 13 8.520 2.082 7.119
108 HD11 LEU 13 HD11 LEU 13 8.952 0.668 8.803
109 HD12 LEU 13 HD12 LEU 13 9.456 -0.435 7.522
110 HD13 LEU 13 HD13 LEU 13 10.658 0.526 8.382
111 HD21 LEU 13 HD21 LEU 13 10.679 2.879 8.240
112 HD22 LEU 13 HD22 LEU 13 11.483 2.380 6.751
113 HD23 LEU 13 HD23 LEU 13 10.230 3.621 6.705
114 HN1 NH2 14 HN1 NH2 14 7.902 3.391 2.729
115 HN2 NH2 14 HN2 NH2 14 9.217 4.467 2.561