Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633006 | 6ct4 RC | 30442 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 HT1 PRO 1 -18.035 2.869 -0.783
2 H3 PRO 1 HT2 PRO 1 -18.682 3.095 0.706
3 HA PRO 1 HA PRO 1 -17.035 4.769 0.195
4 HB2 PRO 1 HB2 PRO 1 -15.218 3.787 1.964
5 HB3 PRO 1 HB1 PRO 1 -16.774 4.482 2.450
6 HG2 PRO 1 HG2 PRO 1 -16.027 1.603 2.093
7 HG3 PRO 1 HG1 PRO 1 -16.989 2.354 3.380
8 HD2 PRO 1 HD2 PRO 1 -18.218 1.022 1.439
9 HD3 PRO 1 HD1 PRO 1 -18.858 2.507 2.098
10 H MET 2 HN MET 2 -14.575 5.033 -0.054
11 HA MET 2 HA MET 2 -13.672 3.103 -2.041
12 HB2 MET 2 HB2 MET 2 -11.884 4.753 -2.555
13 HB3 MET 2 HB1 MET 2 -13.489 5.442 -2.729
14 HG2 MET 2 HG2 MET 2 -13.272 6.564 -0.615
15 HG3 MET 2 HG1 MET 2 -11.718 5.806 -0.326
16 HE1 MET 2 HE1 MET 2 -10.793 9.523 -0.803
17 HE2 MET 2 HE2 MET 2 -10.661 8.092 0.217
18 HE3 MET 2 HE3 MET 2 -12.228 8.860 -0.025
19 H LYS 3 HN LYS 3 -11.876 1.877 -1.786
20 HA LYS 3 HA LYS 3 -10.796 1.775 0.941
21 HB2 LYS 3 HB2 LYS 3 -10.398 -0.620 0.489
22 HB3 LYS 3 HB1 LYS 3 -12.102 -0.198 0.426
23 HG2 LYS 3 HG2 LYS 3 -12.017 -0.193 -2.020
24 HG3 LYS 3 HG1 LYS 3 -10.303 -0.606 -1.968
25 HD2 LYS 3 HD2 LYS 3 -12.570 -2.293 -0.896
26 HD3 LYS 3 HD1 LYS 3 -11.715 -2.561 -2.413
27 HE2 LYS 3 HE2 LYS 3 -9.630 -2.914 -1.183
28 HE3 LYS 3 HE1 LYS 3 -10.472 -2.619 0.333
29 HZ1 LYS 3 HZ1 LYS 3 -11.853 -4.538 -0.112
30 HZ2 LYS 3 HZ2 LYS 3 -10.225 -4.932 -0.026
31 HZ3 LYS 3 HZ3 LYS 3 -10.995 -4.874 -1.531
32 H LYS 4 HN LYS 4 -9.890 3.385 -1.277
33 HA LYS 4 HA LYS 4 -7.684 2.343 -2.642
34 HB2 LYS 4 HB2 LYS 4 -8.376 5.174 -1.891
35 HB3 LYS 4 HB1 LYS 4 -6.995 4.756 -2.886
36 HG2 LYS 4 HG2 LYS 4 -9.859 4.109 -3.560
37 HG3 LYS 4 HG1 LYS 4 -8.957 5.490 -4.186
38 HD2 LYS 4 HD2 LYS 4 -7.308 3.931 -5.167
39 HD3 LYS 4 HD1 LYS 4 -8.278 2.575 -4.598
40 HE2 LYS 4 HE2 LYS 4 -10.142 3.330 -5.964
41 HE3 LYS 4 HE1 LYS 4 -9.187 4.698 -6.535
42 HZ1 LYS 4 HZ1 LYS 4 -8.644 1.814 -7.029
43 HZ2 LYS 4 HZ2 LYS 4 -7.610 3.071 -7.449
44 HZ3 LYS 4 HZ3 LYS 4 -9.128 2.977 -8.156
45 H LEU 5 HN LEU 5 -7.903 3.790 0.543
46 HA LEU 5 HA LEU 5 -5.091 4.021 0.893
47 HB2 LEU 5 HB2 LEU 5 -5.461 4.609 3.148
48 HB3 LEU 5 HB1 LEU 5 -6.841 5.239 2.290
49 HG LEU 5 HG LEU 5 -6.850 2.722 3.978
50 HD11 LEU 5 HD11 LEU 5 -6.488 4.677 5.340
51 HD12 LEU 5 HD12 LEU 5 -8.124 4.057 5.578
52 HD13 LEU 5 HD13 LEU 5 -7.860 5.487 4.583
53 HD21 LEU 5 HD21 LEU 5 -9.254 2.804 3.819
54 HD22 LEU 5 HD22 LEU 5 -8.589 2.765 2.182
55 HD23 LEU 5 HD23 LEU 5 -9.181 4.282 2.871
56 H LYS 6 HN LYS 6 -7.379 1.487 1.411
57 HA LYS 6 HA LYS 6 -5.638 -0.184 2.953
58 HB2 LYS 6 HB2 LYS 6 -8.138 -0.266 3.078
59 HB3 LYS 6 HB1 LYS 6 -8.161 -0.904 1.445
60 HG2 LYS 6 HG2 LYS 6 -8.469 -2.687 3.031
61 HG3 LYS 6 HG1 LYS 6 -6.908 -2.884 2.229
62 HD2 LYS 6 HD2 LYS 6 -5.773 -1.962 4.167
63 HD3 LYS 6 HD1 LYS 6 -7.318 -1.631 4.950
64 HE2 LYS 6 HE2 LYS 6 -7.794 -4.055 4.945
65 HE3 LYS 6 HE1 LYS 6 -6.205 -4.341 4.237
66 HZ1 LYS 6 HZ1 LYS 6 -6.204 -4.652 6.640
67 HZ2 LYS 6 HZ2 LYS 6 -6.679 -3.036 6.862
68 HZ3 LYS 6 HZ3 LYS 6 -5.189 -3.386 6.204
69 H LEU 7 HN LEU 7 -6.748 0.034 -0.379
70 HA LEU 7 HA LEU 7 -5.395 -2.169 -1.447
71 HB2 LEU 7 HB2 LEU 7 -6.051 0.471 -2.761
72 HB3 LEU 7 HB1 LEU 7 -5.538 -0.966 -3.615
73 HG LEU 7 HG LEU 7 -8.104 -0.690 -2.046
74 HD11 LEU 7 HD11 LEU 7 -7.600 -0.751 -5.015
75 HD12 LEU 7 HD12 LEU 7 -8.113 0.648 -4.070
76 HD13 LEU 7 HD13 LEU 7 -9.183 -0.743 -4.236
77 HD21 LEU 7 HD21 LEU 7 -8.693 -2.831 -3.099
78 HD22 LEU 7 HD22 LEU 7 -7.292 -2.982 -2.040
79 HD23 LEU 7 HD23 LEU 7 -7.077 -2.918 -3.792
80 H ALA 8 HN ALA 8 -4.419 1.231 -1.226
81 HA ALA 8 HA ALA 8 -1.889 0.980 -2.376
82 HB1 ALA 8 HB1 ALA 8 -2.767 2.919 -0.239
83 HB2 ALA 8 HB2 ALA 8 -2.974 3.143 -1.976
84 HB3 ALA 8 HB3 ALA 8 -1.356 3.092 -1.280
85 H LEU 9 HN LEU 9 -2.962 0.533 0.938
86 HA LEU 9 HA LEU 9 -0.370 0.264 2.041
87 HB2 LEU 9 HB2 LEU 9 -2.399 0.899 3.318
88 HB3 LEU 9 HB1 LEU 9 -3.008 -0.728 3.115
89 HG LEU 9 HG LEU 9 -1.114 -1.590 4.438
90 HD11 LEU 9 HD11 LEU 9 0.290 -0.021 5.677
91 HD12 LEU 9 HD12 LEU 9 -0.441 1.327 4.808
92 HD13 LEU 9 HD13 LEU 9 0.525 0.132 3.940
93 HD21 LEU 9 HD21 LEU 9 -2.692 0.599 5.787
94 HD22 LEU 9 HD22 LEU 9 -1.875 -0.737 6.599
95 HD23 LEU 9 HD23 LEU 9 -3.236 -1.057 5.525
96 H ARG 10 HN ARG 10 -2.523 -1.950 0.436
97 HA ARG 10 HA ARG 10 -0.989 -4.242 1.332
98 HB2 ARG 10 HB2 ARG 10 -3.294 -4.090 -0.618
99 HB3 ARG 10 HB1 ARG 10 -2.501 -5.578 -0.129
100 HG2 ARG 10 HG2 ARG 10 -4.003 -3.706 1.708
101 HG3 ARG 10 HG1 ARG 10 -4.628 -5.215 1.053
102 HD2 ARG 10 HD2 ARG 10 -3.904 -5.585 3.332
103 HD3 ARG 10 HD1 ARG 10 -2.809 -6.432 2.246
104 HE ARG 10 HE ARG 10 -1.776 -3.873 2.843
105 HH11 ARG 10 HH11 ARG 10 -2.317 -6.970 4.484
106 HH12 ARG 10 HH12 ARG 10 -0.954 -6.830 5.477
107 HH21 ARG 10 HH21 ARG 10 0.151 -3.692 4.213
108 HH22 ARG 10 HH22 ARG 10 0.466 -4.926 5.314
109 H LEU 11 HN LEU 11 -1.335 -2.289 -1.518
110 HA LEU 11 HA LEU 11 0.372 -3.816 -3.160
111 HB2 LEU 11 HB2 LEU 11 -0.154 -0.836 -3.209
112 HB3 LEU 11 HB1 LEU 11 0.576 -1.761 -4.507
113 HG LEU 11 HG LEU 11 -2.260 -2.062 -3.512
114 HD11 LEU 11 HD11 LEU 11 -1.923 0.013 -4.738
115 HD12 LEU 11 HD12 LEU 11 -2.924 -1.124 -5.639
116 HD13 LEU 11 HD13 LEU 11 -1.237 -0.895 -6.089
117 HD21 LEU 11 HD21 LEU 11 -2.562 -3.531 -5.453
118 HD22 LEU 11 HD22 LEU 11 -1.395 -4.182 -4.308
119 HD23 LEU 11 HD23 LEU 11 -0.836 -3.418 -5.798
120 H ALA 12 HN ALA 12 0.931 -1.204 -0.866
121 HA ALA 12 HA ALA 12 3.718 -0.957 -1.278
122 HB1 ALA 12 HB1 ALA 12 2.369 0.792 -0.198
123 HB2 ALA 12 HB2 ALA 12 3.737 0.306 0.802
124 HB3 ALA 12 HB3 ALA 12 2.117 -0.271 1.186
125 H ALA 13 HN ALA 13 1.864 -3.323 0.325
126 HA ALA 13 HA ALA 13 3.878 -4.134 2.164
127 HB1 ALA 13 HB1 ALA 13 1.517 -4.664 2.571
128 HB2 ALA 13 HB2 ALA 13 2.497 -6.129 2.514
129 HB3 ALA 13 HB3 ALA 13 1.497 -5.681 1.131
130 H LYS 14 HN LYS 14 2.971 -4.968 -1.118
131 HA LYS 14 HA LYS 14 5.059 -6.997 -1.195
132 HB2 LYS 14 HB2 LYS 14 2.940 -6.240 -3.202
133 HB3 LYS 14 HB1 LYS 14 4.280 -7.287 -3.623
134 HG2 LYS 14 HG2 LYS 14 2.387 -8.651 -3.143
135 HG3 LYS 14 HG1 LYS 14 3.546 -8.850 -1.837
136 HD2 LYS 14 HD2 LYS 14 2.239 -7.319 -0.444
137 HD3 LYS 14 HD1 LYS 14 1.088 -7.098 -1.763
138 HE2 LYS 14 HE2 LYS 14 1.707 -9.693 -0.365
139 HE3 LYS 14 HE1 LYS 14 0.264 -8.711 -0.121
140 HZ1 LYS 14 HZ1 LYS 14 1.053 -10.042 -2.661
141 HZ2 LYS 14 HZ2 LYS 14 -0.297 -9.060 -2.451
142 HZ3 LYS 14 HZ3 LYS 14 -0.194 -10.525 -1.632
143 H ILE 15 HN ILE 15 4.302 -3.847 -2.555
144 HA ILE 15 HA ILE 15 7.010 -3.774 -3.642
145 HB ILE 15 HB ILE 15 4.783 -1.718 -3.999
146 HG12 ILE 15 HG12 ILE 15 5.661 -3.862 -5.957
147 HG13 ILE 15 HG11 ILE 15 4.186 -3.932 -5.000
148 HG21 ILE 15 HG21 ILE 15 7.397 -2.131 -5.475
149 HG22 ILE 15 HG22 ILE 15 7.055 -0.847 -4.319
150 HG23 ILE 15 HG23 ILE 15 6.191 -0.901 -5.857
151 HD11 ILE 15 HD11 ILE 15 3.355 -1.942 -6.150
152 HD12 ILE 15 HD12 ILE 15 3.746 -3.230 -7.290
153 HD13 ILE 15 HD13 ILE 15 4.845 -1.865 -7.089
154 H ALA 16 HN ALA 16 8.026 -3.591 -1.726
155 HA ALA 16 HA ALA 16 7.049 -1.859 0.340
156 HB1 ALA 16 HB1 ALA 16 8.900 -2.704 1.666
157 HB2 ALA 16 HB2 ALA 16 9.577 -3.491 0.240
158 HB3 ALA 16 HB3 ALA 16 8.026 -4.023 0.887
159 HA PRO 17 HA PRO 17 9.683 1.511 -1.047
160 HB2 PRO 17 HB2 PRO 17 8.426 3.156 0.971
161 HB3 PRO 17 HB1 PRO 17 8.230 3.253 -0.779
162 HG2 PRO 17 HG2 PRO 17 6.244 2.460 0.949
163 HG3 PRO 17 HG1 PRO 17 6.325 2.008 -0.759
164 HD2 PRO 17 HD2 PRO 17 7.074 0.422 1.659
165 HD3 PRO 17 HD1 PRO 17 6.297 -0.091 0.141
166 H VAL 18 HN VAL 18 11.543 0.705 -0.195
167 HA VAL 18 HA VAL 18 11.936 0.961 2.671
168 HB VAL 18 HB VAL 18 13.975 -0.503 2.331
169 HG11 VAL 18 HG11 VAL 18 11.845 -1.401 3.120
170 HG12 VAL 18 HG12 VAL 18 12.672 -2.565 2.086
171 HG13 VAL 18 HG13 VAL 18 11.315 -1.631 1.455
172 HG21 VAL 18 HG21 VAL 18 14.105 -1.816 0.249
173 HG22 VAL 18 HG22 VAL 18 14.337 -0.096 -0.066
174 HG23 VAL 18 HG23 VAL 18 12.790 -0.859 -0.432
175 H TRP 19 HN TRP 19 13.576 1.800 -0.374
176 HA TRP 19 HA TRP 19 14.532 4.225 0.664
177 HB2 TRP 19 HB2 TRP 19 16.060 2.483 1.796
178 HB3 TRP 19 HB1 TRP 19 16.684 2.141 0.193
179 HD1 TRP 19 HD1 TRP 19 16.850 4.640 3.006
180 HE1 TRP 19 HE1 TRP 19 18.738 6.348 2.544
181 HE3 TRP 19 HE3 TRP 19 17.902 3.381 -1.819
182 HZ2 TRP 19 HZ2 TRP 19 20.431 7.057 0.388
183 HZ3 TRP 19 HZ3 TRP 19 19.660 4.618 -3.013
184 HH2 TRP 19 HH2 TRP 19 20.891 6.414 -1.929
Start of MODEL 2
1 H2 PRO 1 HT1 PRO 1 -11.104 0.863 -6.333
2 H3 PRO 1 HT2 PRO 1 -11.949 0.113 -7.526
3 HA PRO 1 HA PRO 1 -13.280 1.407 -6.009
4 HB2 PRO 1 HB2 PRO 1 -14.097 -1.284 -5.158
5 HB3 PRO 1 HB1 PRO 1 -14.976 -0.100 -6.137
6 HG2 PRO 1 HG2 PRO 1 -13.900 -2.303 -7.245
7 HG3 PRO 1 HG1 PRO 1 -13.957 -0.753 -8.104
8 HD2 PRO 1 HD2 PRO 1 -11.703 -2.099 -6.722
9 HD3 PRO 1 HD1 PRO 1 -11.667 -1.228 -8.232
10 H MET 2 HN MET 2 -14.376 0.977 -3.699
11 HA MET 2 HA MET 2 -14.193 1.007 -1.445
12 HB2 MET 2 HB2 MET 2 -11.781 -0.786 -1.870
13 HB3 MET 2 HB1 MET 2 -12.450 -0.397 -0.300
14 HG2 MET 2 HG2 MET 2 -14.538 -1.517 -0.943
15 HG3 MET 2 HG1 MET 2 -13.812 -1.923 -2.499
16 HE1 MET 2 HE1 MET 2 -13.858 -5.386 -0.649
17 HE2 MET 2 HE2 MET 2 -14.382 -4.486 -2.072
18 HE3 MET 2 HE3 MET 2 -15.067 -4.113 -0.492
19 H LYS 3 HN LYS 3 -12.158 1.310 0.319
20 HA LYS 3 HA LYS 3 -11.105 3.873 -0.229
21 HB2 LYS 3 HB2 LYS 3 -10.246 1.841 1.831
22 HB3 LYS 3 HB1 LYS 3 -9.836 3.546 1.837
23 HG2 LYS 3 HG2 LYS 3 -12.185 4.109 2.172
24 HG3 LYS 3 HG1 LYS 3 -12.593 2.387 2.152
25 HD2 LYS 3 HD2 LYS 3 -11.090 2.025 4.047
26 HD3 LYS 3 HD1 LYS 3 -10.740 3.748 4.072
27 HE2 LYS 3 HE2 LYS 3 -13.080 4.233 4.556
28 HE3 LYS 3 HE1 LYS 3 -13.453 2.509 4.500
29 HZ1 LYS 3 HZ1 LYS 3 -13.183 3.256 6.756
30 HZ2 LYS 3 HZ2 LYS 3 -11.634 3.833 6.438
31 HZ3 LYS 3 HZ3 LYS 3 -11.956 2.170 6.366
32 H LYS 4 HN LYS 4 -9.511 4.198 -1.630
33 HA LYS 4 HA LYS 4 -7.922 2.107 -2.643
34 HB2 LYS 4 HB2 LYS 4 -6.689 3.861 -3.859
35 HB3 LYS 4 HB1 LYS 4 -8.430 3.981 -4.054
36 HG2 LYS 4 HG2 LYS 4 -8.508 5.797 -2.461
37 HG3 LYS 4 HG1 LYS 4 -6.770 5.650 -2.185
38 HD2 LYS 4 HD2 LYS 4 -6.356 6.177 -4.524
39 HD3 LYS 4 HD1 LYS 4 -8.093 6.322 -4.803
40 HE2 LYS 4 HE2 LYS 4 -8.207 8.145 -3.210
41 HE3 LYS 4 HE1 LYS 4 -6.487 7.982 -2.880
42 HZ1 LYS 4 HZ1 LYS 4 -6.017 8.593 -5.155
43 HZ2 LYS 4 HZ2 LYS 4 -6.965 9.782 -4.454
44 HZ3 LYS 4 HZ3 LYS 4 -7.651 8.669 -5.516
45 H LEU 5 HN LEU 5 -7.525 4.157 0.094
46 HA LEU 5 HA LEU 5 -4.711 3.792 0.286
47 HB2 LEU 5 HB2 LEU 5 -6.689 4.470 2.451
48 HB3 LEU 5 HB1 LEU 5 -4.956 4.430 2.678
49 HG LEU 5 HG LEU 5 -6.561 6.367 1.035
50 HD11 LEU 5 HD11 LEU 5 -5.509 8.004 2.514
51 HD12 LEU 5 HD12 LEU 5 -4.701 6.694 3.368
52 HD13 LEU 5 HD13 LEU 5 -6.459 6.814 3.404
53 HD21 LEU 5 HD21 LEU 5 -4.425 7.407 0.412
54 HD22 LEU 5 HD22 LEU 5 -4.592 5.795 -0.271
55 HD23 LEU 5 HD23 LEU 5 -3.558 6.052 1.137
56 H LYS 6 HN LYS 6 -7.463 1.894 1.245
57 HA LYS 6 HA LYS 6 -5.982 0.153 2.960
58 HB2 LYS 6 HB2 LYS 6 -8.487 0.370 3.033
59 HB3 LYS 6 HB1 LYS 6 -8.561 -0.426 1.467
60 HG2 LYS 6 HG2 LYS 6 -7.472 -2.404 2.455
61 HG3 LYS 6 HG1 LYS 6 -7.514 -1.609 4.025
62 HD2 LYS 6 HD2 LYS 6 -9.959 -1.533 3.907
63 HD3 LYS 6 HD1 LYS 6 -9.907 -2.337 2.337
64 HE2 LYS 6 HE2 LYS 6 -9.006 -3.459 4.997
65 HE3 LYS 6 HE1 LYS 6 -10.378 -3.984 4.029
66 HZ1 LYS 6 HZ1 LYS 6 -8.820 -4.679 2.296
67 HZ2 LYS 6 HZ2 LYS 6 -8.548 -5.490 3.739
68 HZ3 LYS 6 HZ3 LYS 6 -7.509 -4.254 3.280
69 H LEU 7 HN LEU 7 -6.704 0.381 -0.405
70 HA LEU 7 HA LEU 7 -5.656 -2.132 -1.191
71 HB2 LEU 7 HB2 LEU 7 -5.797 0.409 -2.820
72 HB3 LEU 7 HB1 LEU 7 -5.637 -1.217 -3.444
73 HG LEU 7 HG LEU 7 -8.068 -0.057 -2.083
74 HD11 LEU 7 HD11 LEU 7 -9.108 -0.292 -4.269
75 HD12 LEU 7 HD12 LEU 7 -7.584 -0.876 -4.935
76 HD13 LEU 7 HD13 LEU 7 -7.707 0.777 -4.340
77 HD21 LEU 7 HD21 LEU 7 -7.847 -2.431 -1.559
78 HD22 LEU 7 HD22 LEU 7 -7.644 -2.796 -3.274
79 HD23 LEU 7 HD23 LEU 7 -9.179 -2.159 -2.683
80 H ALA 8 HN ALA 8 -4.396 1.173 -1.187
81 HA ALA 8 HA ALA 8 -1.824 0.716 -2.075
82 HB1 ALA 8 HB1 ALA 8 -1.226 2.838 -1.060
83 HB2 ALA 8 HB2 ALA 8 -2.673 2.787 -0.055
84 HB3 ALA 8 HB3 ALA 8 -2.821 2.950 -1.806
85 H LEU 9 HN LEU 9 -3.048 0.527 1.243
86 HA LEU 9 HA LEU 9 -0.616 0.080 2.537
87 HB2 LEU 9 HB2 LEU 9 -3.363 -0.942 3.243
88 HB3 LEU 9 HB1 LEU 9 -1.978 -1.070 4.300
89 HG LEU 9 HG LEU 9 -3.241 1.508 3.370
90 HD11 LEU 9 HD11 LEU 9 -3.960 1.726 5.693
91 HD12 LEU 9 HD12 LEU 9 -3.294 0.134 6.051
92 HD13 LEU 9 HD13 LEU 9 -4.650 0.292 4.934
93 HD21 LEU 9 HD21 LEU 9 -0.845 1.783 3.748
94 HD22 LEU 9 HD22 LEU 9 -0.990 1.006 5.323
95 HD23 LEU 9 HD23 LEU 9 -1.764 2.563 5.035
96 H ARG 10 HN ARG 10 -2.649 -2.189 0.801
97 HA ARG 10 HA ARG 10 -0.974 -4.376 1.670
98 HB2 ARG 10 HB2 ARG 10 -3.399 -4.309 -0.103
99 HB3 ARG 10 HB1 ARG 10 -2.453 -5.768 0.139
100 HG2 ARG 10 HG2 ARG 10 -3.771 -4.207 2.356
101 HG3 ARG 10 HG1 ARG 10 -4.481 -5.617 1.572
102 HD2 ARG 10 HD2 ARG 10 -3.468 -6.331 3.640
103 HD3 ARG 10 HD1 ARG 10 -2.502 -6.949 2.310
104 HE ARG 10 HE ARG 10 -1.630 -4.460 3.570
105 HH11 ARG 10 HH11 ARG 10 -1.136 -7.962 3.243
106 HH12 ARG 10 HH12 ARG 10 0.415 -7.948 3.917
107 HH21 ARG 10 HH21 ARG 10 0.555 -4.473 4.515
108 HH22 ARG 10 HH22 ARG 10 1.371 -5.957 4.670
109 H LEU 11 HN LEU 11 -1.390 -2.420 -1.165
110 HA LEU 11 HA LEU 11 0.388 -3.973 -2.744
111 HB2 LEU 11 HB2 LEU 11 -0.819 -1.262 -3.044
112 HB3 LEU 11 HB1 LEU 11 0.564 -1.670 -4.033
113 HG LEU 11 HG LEU 11 -1.503 -1.995 -5.259
114 HD11 LEU 11 HD11 LEU 11 0.375 -3.430 -5.768
115 HD12 LEU 11 HD12 LEU 11 -1.161 -4.238 -6.052
116 HD13 LEU 11 HD13 LEU 11 -0.213 -4.635 -4.620
117 HD21 LEU 11 HD21 LEU 11 -3.030 -2.489 -3.417
118 HD22 LEU 11 HD22 LEU 11 -2.228 -4.039 -3.161
119 HD23 LEU 11 HD23 LEU 11 -3.111 -3.737 -4.659
120 H ALA 12 HN ALA 12 0.822 -1.430 -0.438
121 HA ALA 12 HA ALA 12 3.492 -0.776 -1.044
122 HB1 ALA 12 HB1 ALA 12 3.580 0.179 1.198
123 HB2 ALA 12 HB2 ALA 12 2.084 -0.657 1.619
124 HB3 ALA 12 HB3 ALA 12 2.071 0.609 0.392
125 H ALA 13 HN ALA 13 2.083 -3.460 0.576
126 HA ALA 13 HA ALA 13 4.458 -4.361 1.862
127 HB1 ALA 13 HB1 ALA 13 2.233 -5.129 2.566
128 HB2 ALA 13 HB2 ALA 13 3.277 -6.482 2.131
129 HB3 ALA 13 HB3 ALA 13 2.026 -5.938 1.013
130 H LYS 14 HN LYS 14 3.089 -4.681 -1.327
131 HA LYS 14 HA LYS 14 4.965 -6.720 -2.159
132 HB2 LYS 14 HB2 LYS 14 2.978 -5.059 -3.711
133 HB3 LYS 14 HB1 LYS 14 3.879 -6.423 -4.347
134 HG2 LYS 14 HG2 LYS 14 1.850 -6.542 -2.122
135 HG3 LYS 14 HG1 LYS 14 1.573 -7.022 -3.798
136 HD2 LYS 14 HD2 LYS 14 3.383 -8.683 -3.566
137 HD3 LYS 14 HD1 LYS 14 3.528 -8.257 -1.865
138 HE2 LYS 14 HE2 LYS 14 1.246 -8.958 -1.460
139 HE3 LYS 14 HE1 LYS 14 1.031 -9.314 -3.175
140 HZ1 LYS 14 HZ1 LYS 14 1.463 -11.316 -1.945
141 HZ2 LYS 14 HZ2 LYS 14 2.881 -10.683 -1.309
142 HZ3 LYS 14 HZ3 LYS 14 2.779 -10.993 -2.960
143 H ILE 15 HN ILE 15 4.435 -3.263 -2.544
144 HA ILE 15 HA ILE 15 7.167 -2.774 -3.001
145 HB ILE 15 HB ILE 15 6.670 -3.493 -5.275
146 HG12 ILE 15 HG12 ILE 15 7.221 -1.416 -6.571
147 HG13 ILE 15 HG11 ILE 15 6.935 -0.498 -5.097
148 HG21 ILE 15 HG21 ILE 15 4.289 -3.219 -5.362
149 HG22 ILE 15 HG22 ILE 15 5.035 -2.391 -6.728
150 HG23 ILE 15 HG23 ILE 15 4.457 -1.464 -5.345
151 HD11 ILE 15 HD11 ILE 15 9.040 -2.615 -5.455
152 HD12 ILE 15 HD12 ILE 15 8.771 -1.648 -4.001
153 HD13 ILE 15 HD13 ILE 15 9.303 -0.874 -5.491
154 H ALA 16 HN ALA 16 7.394 -1.144 -1.723
155 HA ALA 16 HA ALA 16 5.227 0.703 -1.226
156 HB1 ALA 16 HB1 ALA 16 6.642 1.515 0.592
157 HB2 ALA 16 HB2 ALA 16 7.951 0.470 0.042
158 HB3 ALA 16 HB3 ALA 16 6.457 -0.236 0.654
159 HA PRO 17 HA PRO 17 6.755 3.700 -4.061
160 HB2 PRO 17 HB2 PRO 17 5.586 5.939 -3.028
161 HB3 PRO 17 HB1 PRO 17 4.706 4.719 -3.956
162 HG2 PRO 17 HG2 PRO 17 4.867 5.102 -0.997
163 HG3 PRO 17 HG1 PRO 17 3.462 4.690 -1.992
164 HD2 PRO 17 HD2 PRO 17 4.819 2.851 -0.557
165 HD3 PRO 17 HD1 PRO 17 4.036 2.462 -2.100
166 H VAL 18 HN VAL 18 7.015 4.610 -0.630
167 HA VAL 18 HA VAL 18 9.491 6.036 -1.337
168 HB VAL 18 HB VAL 18 7.486 6.850 0.787
169 HG11 VAL 18 HG11 VAL 18 8.940 8.801 1.176
170 HG12 VAL 18 HG12 VAL 18 10.137 8.115 0.075
171 HG13 VAL 18 HG13 VAL 18 9.749 7.287 1.580
172 HG21 VAL 18 HG21 VAL 18 8.347 8.193 -1.772
173 HG22 VAL 18 HG22 VAL 18 7.265 8.891 -0.572
174 HG23 VAL 18 HG23 VAL 18 6.779 7.444 -1.461
175 H TRP 19 HN TRP 19 7.856 4.498 1.441
176 HA TRP 19 HA TRP 19 10.205 4.403 2.936
177 HB2 TRP 19 HB2 TRP 19 8.877 2.905 4.489
178 HB3 TRP 19 HB1 TRP 19 8.228 4.507 4.190
179 HD1 TRP 19 HD1 TRP 19 7.372 0.847 3.926
180 HE1 TRP 19 HE1 TRP 19 4.934 0.587 3.114
181 HE3 TRP 19 HE3 TRP 19 6.444 5.689 2.557
182 HZ2 TRP 19 HZ2 TRP 19 2.906 2.222 2.018
183 HZ3 TRP 19 HZ3 TRP 19 4.230 6.247 1.626
184 HH2 TRP 19 HH2 TRP 19 2.508 4.547 1.371
Start of MODEL 3
1 H2 PRO 1 HT1 PRO 1 -18.041 1.878 1.895
2 H3 PRO 1 HT2 PRO 1 -16.521 1.129 1.410
3 HA PRO 1 HA PRO 1 -17.132 3.965 0.964
4 HB2 PRO 1 HB2 PRO 1 -15.231 3.574 3.094
5 HB3 PRO 1 HB1 PRO 1 -16.726 4.517 3.117
6 HG2 PRO 1 HG2 PRO 1 -16.394 2.196 4.499
7 HG3 PRO 1 HG1 PRO 1 -17.966 2.781 3.930
8 HD2 PRO 1 HD2 PRO 1 -16.176 0.687 2.832
9 HD3 PRO 1 HD1 PRO 1 -17.930 0.664 2.917
10 H MET 2 HN MET 2 -14.849 5.044 1.075
11 HA MET 2 HA MET 2 -13.254 4.008 -0.944
12 HB2 MET 2 HB2 MET 2 -12.576 5.972 1.250
13 HB3 MET 2 HB1 MET 2 -11.480 5.573 -0.063
14 HG2 MET 2 HG2 MET 2 -14.200 6.812 -0.366
15 HG3 MET 2 HG1 MET 2 -12.655 7.655 -0.469
16 HE1 MET 2 HE1 MET 2 -14.785 7.939 -2.686
17 HE2 MET 2 HE2 MET 2 -13.849 7.713 -4.161
18 HE3 MET 2 HE3 MET 2 -13.182 8.660 -2.831
19 H LYS 3 HN LYS 3 -11.769 2.513 -1.003
20 HA LYS 3 HA LYS 3 -10.593 1.569 1.505
21 HB2 LYS 3 HB2 LYS 3 -10.676 -0.699 0.474
22 HB3 LYS 3 HB1 LYS 3 -12.260 -0.015 0.820
23 HG2 LYS 3 HG2 LYS 3 -12.400 0.694 -1.564
24 HG3 LYS 3 HG1 LYS 3 -10.904 -0.193 -1.861
25 HD2 LYS 3 HD2 LYS 3 -11.948 -2.221 -1.118
26 HD3 LYS 3 HD1 LYS 3 -13.455 -1.365 -0.777
27 HE2 LYS 3 HE2 LYS 3 -13.530 -0.695 -3.179
28 HE3 LYS 3 HE1 LYS 3 -12.136 -1.732 -3.460
29 HZ1 LYS 3 HZ1 LYS 3 -14.755 -2.666 -2.418
30 HZ2 LYS 3 HZ2 LYS 3 -13.429 -3.628 -2.783
31 HZ3 LYS 3 HZ3 LYS 3 -14.236 -2.819 -4.009
32 H LYS 4 HN LYS 4 -9.927 3.315 -0.990
33 HA LYS 4 HA LYS 4 -7.894 1.930 -2.372
34 HB2 LYS 4 HB2 LYS 4 -7.272 4.138 -3.323
35 HB3 LYS 4 HB1 LYS 4 -8.964 3.723 -3.508
36 HG2 LYS 4 HG2 LYS 4 -9.534 5.210 -1.654
37 HG3 LYS 4 HG1 LYS 4 -7.825 5.620 -1.465
38 HD2 LYS 4 HD2 LYS 4 -7.766 6.537 -3.700
39 HD3 LYS 4 HD1 LYS 4 -9.438 6.045 -3.969
40 HE2 LYS 4 HE2 LYS 4 -10.154 7.554 -2.170
41 HE3 LYS 4 HE1 LYS 4 -8.479 8.047 -1.926
42 HZ1 LYS 4 HZ1 LYS 4 -9.658 9.632 -3.273
43 HZ2 LYS 4 HZ2 LYS 4 -10.081 8.451 -4.392
44 HZ3 LYS 4 HZ3 LYS 4 -8.456 8.891 -4.205
45 H LEU 5 HN LEU 5 -7.800 3.822 0.592
46 HA LEU 5 HA LEU 5 -5.046 4.144 0.738
47 HB2 LEU 5 HB2 LEU 5 -6.872 5.316 1.957
48 HB3 LEU 5 HB1 LEU 5 -7.195 3.844 2.828
49 HG LEU 5 HG LEU 5 -6.095 5.613 3.999
50 HD11 LEU 5 HD11 LEU 5 -4.360 4.174 5.161
51 HD12 LEU 5 HD12 LEU 5 -4.556 3.004 3.853
52 HD13 LEU 5 HD13 LEU 5 -5.912 3.373 4.914
53 HD21 LEU 5 HD21 LEU 5 -4.613 6.518 2.366
54 HD22 LEU 5 HD22 LEU 5 -3.719 5.000 2.260
55 HD23 LEU 5 HD23 LEU 5 -3.640 5.967 3.730
56 H LYS 6 HN LYS 6 -7.339 1.659 1.693
57 HA LYS 6 HA LYS 6 -5.545 -0.043 3.085
58 HB2 LYS 6 HB2 LYS 6 -8.140 -0.676 1.672
59 HB3 LYS 6 HB1 LYS 6 -7.306 -1.762 2.767
60 HG2 LYS 6 HG2 LYS 6 -8.393 0.943 3.537
61 HG3 LYS 6 HG1 LYS 6 -9.253 -0.576 3.763
62 HD2 LYS 6 HD2 LYS 6 -6.582 0.127 5.003
63 HD3 LYS 6 HD1 LYS 6 -8.136 0.200 5.826
64 HE2 LYS 6 HE2 LYS 6 -6.860 -2.298 4.684
65 HE3 LYS 6 HE1 LYS 6 -6.907 -1.850 6.380
66 HZ1 LYS 6 HZ1 LYS 6 -8.590 -3.466 5.833
67 HZ2 LYS 6 HZ2 LYS 6 -9.280 -2.451 4.686
68 HZ3 LYS 6 HZ3 LYS 6 -9.321 -2.031 6.322
69 H LEU 7 HN LEU 7 -6.726 0.142 -0.198
70 HA LEU 7 HA LEU 7 -5.427 -2.133 -1.232
71 HB2 LEU 7 HB2 LEU 7 -6.253 0.392 -2.661
72 HB3 LEU 7 HB1 LEU 7 -5.848 -1.123 -3.436
73 HG LEU 7 HG LEU 7 -8.213 -0.655 -1.617
74 HD11 LEU 7 HD11 LEU 7 -8.463 0.437 -3.769
75 HD12 LEU 7 HD12 LEU 7 -9.544 -0.946 -3.621
76 HD13 LEU 7 HD13 LEU 7 -8.074 -1.076 -4.585
77 HD21 LEU 7 HD21 LEU 7 -7.402 -3.101 -3.183
78 HD22 LEU 7 HD22 LEU 7 -8.925 -2.892 -2.319
79 HD23 LEU 7 HD23 LEU 7 -7.406 -2.937 -1.425
80 H ALA 8 HN ALA 8 -4.462 1.250 -0.985
81 HA ALA 8 HA ALA 8 -2.048 1.111 -2.385
82 HB1 ALA 8 HB1 ALA 8 -2.751 2.881 -0.045
83 HB2 ALA 8 HB2 ALA 8 -3.094 3.224 -1.741
84 HB3 ALA 8 HB3 ALA 8 -1.425 3.145 -1.177
85 H LEU 9 HN LEU 9 -2.778 0.564 1.030
86 HA LEU 9 HA LEU 9 -0.112 0.015 1.753
87 HB2 LEU 9 HB2 LEU 9 -2.739 -0.386 3.068
88 HB3 LEU 9 HB1 LEU 9 -1.406 -1.347 3.668
89 HG LEU 9 HG LEU 9 -1.733 0.646 5.020
90 HD11 LEU 9 HD11 LEU 9 0.505 -0.255 4.805
91 HD12 LEU 9 HD12 LEU 9 0.531 1.490 5.016
92 HD13 LEU 9 HD13 LEU 9 0.816 0.797 3.422
93 HD21 LEU 9 HD21 LEU 9 -1.106 2.218 2.518
94 HD22 LEU 9 HD22 LEU 9 -1.312 2.888 4.139
95 HD23 LEU 9 HD23 LEU 9 -2.675 2.132 3.314
96 H ARG 10 HN ARG 10 -2.653 -2.023 0.535
97 HA ARG 10 HA ARG 10 -1.386 -4.523 0.870
98 HB2 ARG 10 HB2 ARG 10 -3.269 -3.573 -1.292
99 HB3 ARG 10 HB1 ARG 10 -2.737 -5.238 -1.134
100 HG2 ARG 10 HG2 ARG 10 -4.271 -3.701 0.954
101 HG3 ARG 10 HG1 ARG 10 -4.975 -4.839 -0.196
102 HD2 ARG 10 HD2 ARG 10 -2.906 -5.484 1.908
103 HD3 ARG 10 HD1 ARG 10 -4.616 -5.901 1.960
104 HE ARG 10 HE ARG 10 -3.370 -6.894 -0.388
105 HH11 ARG 10 HH11 ARG 10 -3.812 -7.573 3.040
106 HH12 ARG 10 HH12 ARG 10 -3.481 -9.236 2.908
107 HH21 ARG 10 HH21 ARG 10 -2.910 -9.136 -0.602
108 HH22 ARG 10 HH22 ARG 10 -2.940 -10.156 0.763
109 H LEU 11 HN LEU 11 -1.198 -2.137 -1.676
110 HA LEU 11 HA LEU 11 0.603 -3.557 -3.346
111 HB2 LEU 11 HB2 LEU 11 0.118 -0.595 -3.087
112 HB3 LEU 11 HB1 LEU 11 1.003 -1.358 -4.393
113 HG LEU 11 HG LEU 11 -1.920 -1.794 -3.796
114 HD11 LEU 11 HD11 LEU 11 -0.587 -0.151 -5.937
115 HD12 LEU 11 HD12 LEU 11 -1.481 0.475 -4.553
116 HD13 LEU 11 HD13 LEU 11 -2.317 -0.459 -5.793
117 HD21 LEU 11 HD21 LEU 11 -0.882 -3.714 -4.875
118 HD22 LEU 11 HD22 LEU 11 -0.198 -2.660 -6.114
119 HD23 LEU 11 HD23 LEU 11 -1.945 -2.867 -5.997
120 H ALA 12 HN ALA 12 0.973 -1.190 -0.790
121 HA ALA 12 HA ALA 12 3.767 -0.805 -1.037
122 HB1 ALA 12 HB1 ALA 12 2.253 0.798 0.063
123 HB2 ALA 12 HB2 ALA 12 3.609 0.339 1.090
124 HB3 ALA 12 HB3 ALA 12 2.016 -0.357 1.374
125 H ALA 13 HN ALA 13 1.863 -3.218 0.474
126 HA ALA 13 HA ALA 13 3.809 -4.169 2.302
127 HB1 ALA 13 HB1 ALA 13 1.468 -5.610 1.068
128 HB2 ALA 13 HB2 ALA 13 1.423 -4.653 2.547
129 HB3 ALA 13 HB3 ALA 13 2.383 -6.133 2.481
130 H LYS 14 HN LYS 14 2.874 -5.053 -0.975
131 HA LYS 14 HA LYS 14 4.844 -7.173 -1.089
132 HB2 LYS 14 HB2 LYS 14 3.105 -6.058 -3.278
133 HB3 LYS 14 HB1 LYS 14 3.987 -7.580 -3.291
134 HG2 LYS 14 HG2 LYS 14 2.585 -8.370 -1.412
135 HG3 LYS 14 HG1 LYS 14 1.680 -6.863 -1.502
136 HD2 LYS 14 HD2 LYS 14 0.486 -8.594 -2.657
137 HD3 LYS 14 HD1 LYS 14 1.060 -7.395 -3.814
138 HE2 LYS 14 HE2 LYS 14 2.912 -8.825 -4.454
139 HE3 LYS 14 HE1 LYS 14 2.453 -10.008 -3.231
140 HZ1 LYS 14 HZ1 LYS 14 0.808 -9.228 -5.570
141 HZ2 LYS 14 HZ2 LYS 14 0.428 -10.425 -4.438
142 HZ3 LYS 14 HZ3 LYS 14 1.753 -10.608 -5.455
143 H ILE 15 HN ILE 15 4.367 -3.933 -2.325
144 HA ILE 15 HA ILE 15 6.911 -4.016 -3.723
145 HB ILE 15 HB ILE 15 4.770 -1.867 -3.600
146 HG12 ILE 15 HG12 ILE 15 3.949 -3.815 -4.812
147 HG13 ILE 15 HG11 ILE 15 4.242 -2.493 -5.931
148 HG21 ILE 15 HG21 ILE 15 5.946 -0.772 -5.430
149 HG22 ILE 15 HG22 ILE 15 7.201 -2.006 -5.370
150 HG23 ILE 15 HG23 ILE 15 6.977 -0.911 -4.003
151 HD11 ILE 15 HD11 ILE 15 4.958 -4.600 -6.882
152 HD12 ILE 15 HD12 ILE 15 6.005 -4.900 -5.499
153 HD13 ILE 15 HD13 ILE 15 6.359 -3.565 -6.598
154 H ALA 16 HN ALA 16 8.491 -3.770 -2.300
155 HA ALA 16 HA ALA 16 8.207 -2.226 0.075
156 HB1 ALA 16 HB1 ALA 16 10.663 -3.437 -1.215
157 HB2 ALA 16 HB2 ALA 16 9.655 -4.203 0.011
158 HB3 ALA 16 HB3 ALA 16 10.593 -2.766 0.415
159 HA PRO 17 HA PRO 17 9.280 1.732 -1.580
160 HB2 PRO 17 HB2 PRO 17 10.967 2.259 0.784
161 HB3 PRO 17 HB1 PRO 17 9.527 3.115 0.228
162 HG2 PRO 17 HG2 PRO 17 9.481 1.538 2.395
163 HG3 PRO 17 HG1 PRO 17 8.091 1.677 1.308
164 HD2 PRO 17 HD2 PRO 17 10.117 -0.509 1.530
165 HD3 PRO 17 HD1 PRO 17 8.369 -0.609 1.243
166 H VAL 18 HN VAL 18 10.558 1.233 -3.237
167 HA VAL 18 HA VAL 18 13.387 0.761 -2.862
168 HB VAL 18 HB VAL 18 13.470 0.620 -5.355
169 HG11 VAL 18 HG11 VAL 18 11.334 -1.077 -4.074
170 HG12 VAL 18 HG12 VAL 18 13.068 -1.399 -4.065
171 HG13 VAL 18 HG13 VAL 18 12.171 -1.446 -5.581
172 HG21 VAL 18 HG21 VAL 18 10.487 1.068 -5.180
173 HG22 VAL 18 HG22 VAL 18 11.373 0.604 -6.633
174 HG23 VAL 18 HG23 VAL 18 11.665 2.176 -5.886
175 H TRP 19 HN TRP 19 14.740 2.111 -4.603
176 HA TRP 19 HA TRP 19 13.916 4.885 -4.342
177 HB2 TRP 19 HB2 TRP 19 15.704 4.066 -2.643
178 HB3 TRP 19 HB1 TRP 19 16.784 4.027 -4.033
179 HD1 TRP 19 HD1 TRP 19 17.908 6.285 -4.680
180 HE1 TRP 19 HE1 TRP 19 17.645 8.739 -3.867
181 HE3 TRP 19 HE3 TRP 19 13.765 5.752 -1.745
182 HZ2 TRP 19 HZ2 TRP 19 15.927 10.212 -2.211
183 HZ3 TRP 19 HZ3 TRP 19 12.875 7.733 -0.580
184 HH2 TRP 19 HH2 TRP 19 13.937 9.911 -0.814
Start of MODEL 4
1 H2 PRO 1 HT1 PRO 1 -17.983 0.607 -1.108
2 H3 PRO 1 HT2 PRO 1 -18.914 1.818 -1.638
3 HA PRO 1 HA PRO 1 -16.812 1.988 -2.649
4 HB2 PRO 1 HB2 PRO 1 -15.861 3.935 -0.887
5 HB3 PRO 1 HB1 PRO 1 -16.937 4.221 -2.258
6 HG2 PRO 1 HG2 PRO 1 -17.595 3.886 0.626
7 HG3 PRO 1 HG1 PRO 1 -18.396 4.883 -0.599
8 HD2 PRO 1 HD2 PRO 1 -19.539 2.647 0.249
9 HD3 PRO 1 HD1 PRO 1 -19.606 3.146 -1.437
10 H MET 2 HN MET 2 -14.742 1.372 -2.630
11 HA MET 2 HA MET 2 -13.850 -0.079 -0.278
12 HB2 MET 2 HB2 MET 2 -12.164 -1.058 -1.734
13 HB3 MET 2 HB1 MET 2 -13.754 -1.212 -2.461
14 HG2 MET 2 HG2 MET 2 -13.184 0.791 -3.866
15 HG3 MET 2 HG1 MET 2 -11.541 0.679 -3.236
16 HE1 MET 2 HE1 MET 2 -14.078 -2.238 -4.225
17 HE2 MET 2 HE2 MET 2 -13.628 -2.455 -5.915
18 HE3 MET 2 HE3 MET 2 -14.331 -0.933 -5.378
19 H LYS 3 HN LYS 3 -11.649 0.215 0.492
20 HA LYS 3 HA LYS 3 -11.084 3.060 0.502
21 HB2 LYS 3 HB2 LYS 3 -9.785 0.934 2.202
22 HB3 LYS 3 HB1 LYS 3 -9.774 2.665 2.472
23 HG2 LYS 3 HG2 LYS 3 -12.109 0.794 2.729
24 HG3 LYS 3 HG1 LYS 3 -11.253 1.613 4.029
25 HD2 LYS 3 HD2 LYS 3 -12.850 2.997 1.863
26 HD3 LYS 3 HD1 LYS 3 -13.445 2.632 3.479
27 HE2 LYS 3 HE2 LYS 3 -11.727 4.045 4.444
28 HE3 LYS 3 HE1 LYS 3 -11.089 4.399 2.840
29 HZ1 LYS 3 HZ1 LYS 3 -13.814 5.078 3.797
30 HZ2 LYS 3 HZ2 LYS 3 -13.185 5.440 2.272
31 HZ3 LYS 3 HZ3 LYS 3 -12.537 6.166 3.631
32 H LYS 4 HN LYS 4 -9.750 3.708 -1.028
33 HA LYS 4 HA LYS 4 -7.905 2.028 -2.340
34 HB2 LYS 4 HB2 LYS 4 -7.032 4.051 -3.409
35 HB3 LYS 4 HB1 LYS 4 -8.786 4.054 -3.424
36 HG2 LYS 4 HG2 LYS 4 -8.793 5.611 -1.540
37 HG3 LYS 4 HG1 LYS 4 -7.029 5.614 -1.541
38 HD2 LYS 4 HD2 LYS 4 -7.054 6.500 -3.831
39 HD3 LYS 4 HD1 LYS 4 -8.820 6.521 -3.794
40 HE2 LYS 4 HE2 LYS 4 -8.691 8.038 -1.825
41 HE3 LYS 4 HE1 LYS 4 -6.945 8.086 -2.034
42 HZ1 LYS 4 HZ1 LYS 4 -8.016 9.975 -3.022
43 HZ2 LYS 4 HZ2 LYS 4 -8.935 8.972 -4.035
44 HZ3 LYS 4 HZ3 LYS 4 -7.254 9.044 -4.213
45 H LEU 5 HN LEU 5 -7.742 3.927 0.547
46 HA LEU 5 HA LEU 5 -4.930 3.938 0.747
47 HB2 LEU 5 HB2 LEU 5 -5.252 4.494 3.153
48 HB3 LEU 5 HB1 LEU 5 -6.116 5.544 2.064
49 HG LEU 5 HG LEU 5 -8.187 4.107 2.638
50 HD11 LEU 5 HD11 LEU 5 -8.187 3.060 4.832
51 HD12 LEU 5 HD12 LEU 5 -6.454 3.343 4.972
52 HD13 LEU 5 HD13 LEU 5 -7.072 2.255 3.728
53 HD21 LEU 5 HD21 LEU 5 -7.888 6.411 3.349
54 HD22 LEU 5 HD22 LEU 5 -6.936 5.867 4.733
55 HD23 LEU 5 HD23 LEU 5 -8.644 5.448 4.617
56 H LYS 6 HN LYS 6 -7.302 1.542 1.486
57 HA LYS 6 HA LYS 6 -5.531 -0.109 3.031
58 HB2 LYS 6 HB2 LYS 6 -7.968 -0.288 3.355
59 HB3 LYS 6 HB1 LYS 6 -8.173 -0.759 1.675
60 HG2 LYS 6 HG2 LYS 6 -6.877 -2.818 2.109
61 HG3 LYS 6 HG1 LYS 6 -6.731 -2.353 3.801
62 HD2 LYS 6 HD2 LYS 6 -9.361 -2.810 2.378
63 HD3 LYS 6 HD1 LYS 6 -8.535 -4.028 3.341
64 HE2 LYS 6 HE2 LYS 6 -9.512 -1.354 4.368
65 HE3 LYS 6 HE1 LYS 6 -10.342 -2.890 4.580
66 HZ1 LYS 6 HZ1 LYS 6 -8.435 -3.699 5.863
67 HZ2 LYS 6 HZ2 LYS 6 -9.062 -2.287 6.531
68 HZ3 LYS 6 HZ3 LYS 6 -7.648 -2.222 5.651
69 H LEU 7 HN LEU 7 -6.715 0.076 -0.257
70 HA LEU 7 HA LEU 7 -5.410 -2.205 -1.255
71 HB2 LEU 7 HB2 LEU 7 -6.218 0.318 -2.697
72 HB3 LEU 7 HB1 LEU 7 -5.757 -1.186 -3.468
73 HG LEU 7 HG LEU 7 -8.181 -0.801 -1.708
74 HD11 LEU 7 HD11 LEU 7 -7.953 -1.157 -4.686
75 HD12 LEU 7 HD12 LEU 7 -8.383 0.337 -3.854
76 HD13 LEU 7 HD13 LEU 7 -9.453 -1.063 -3.766
77 HD21 LEU 7 HD21 LEU 7 -8.800 -3.052 -2.462
78 HD22 LEU 7 HD22 LEU 7 -7.296 -3.070 -1.554
79 HD23 LEU 7 HD23 LEU 7 -7.265 -3.190 -3.316
80 H ALA 8 HN ALA 8 -4.439 1.216 -1.252
81 HA ALA 8 HA ALA 8 -1.951 0.875 -2.479
82 HB1 ALA 8 HB1 ALA 8 -2.720 2.925 -0.393
83 HB2 ALA 8 HB2 ALA 8 -3.022 3.063 -2.125
84 HB3 ALA 8 HB3 ALA 8 -1.366 3.039 -1.520
85 H LEU 9 HN LEU 9 -2.971 0.497 0.835
86 HA LEU 9 HA LEU 9 -0.403 0.200 1.999
87 HB2 LEU 9 HB2 LEU 9 -2.437 0.744 3.291
88 HB3 LEU 9 HB1 LEU 9 -3.084 -0.835 2.922
89 HG LEU 9 HG LEU 9 -1.259 -1.867 4.229
90 HD11 LEU 9 HD11 LEU 9 0.427 -0.134 4.001
91 HD12 LEU 9 HD12 LEU 9 0.101 -0.475 5.700
92 HD13 LEU 9 HD13 LEU 9 -0.569 0.972 4.950
93 HD21 LEU 9 HD21 LEU 9 -2.896 0.190 5.700
94 HD22 LEU 9 HD22 LEU 9 -2.117 -1.218 6.425
95 HD23 LEU 9 HD23 LEU 9 -3.418 -1.434 5.255
96 H ARG 10 HN ARG 10 -2.549 -1.954 0.301
97 HA ARG 10 HA ARG 10 -1.055 -4.306 1.084
98 HB2 ARG 10 HB2 ARG 10 -3.227 -4.056 -1.005
99 HB3 ARG 10 HB1 ARG 10 -2.537 -5.560 -0.424
100 HG2 ARG 10 HG2 ARG 10 -4.201 -3.607 1.180
101 HG3 ARG 10 HG1 ARG 10 -4.724 -5.171 0.573
102 HD2 ARG 10 HD2 ARG 10 -4.249 -5.357 2.933
103 HD3 ARG 10 HD1 ARG 10 -3.023 -6.255 2.048
104 HE ARG 10 HE ARG 10 -1.924 -3.796 2.395
105 HH11 ARG 10 HH11 ARG 10 -3.399 -5.897 4.798
106 HH12 ARG 10 HH12 ARG 10 -2.179 -5.667 5.964
107 HH21 ARG 10 HH21 ARG 10 -0.256 -3.444 3.985
108 HH22 ARG 10 HH22 ARG 10 -0.371 -4.209 5.502
109 H LEU 11 HN LEU 11 -1.344 -2.268 -1.754
110 HA LEU 11 HA LEU 11 0.505 -3.619 -3.356
111 HB2 LEU 11 HB2 LEU 11 -0.360 -0.765 -3.170
112 HB3 LEU 11 HB1 LEU 11 1.074 -1.126 -4.099
113 HG LEU 11 HG LEU 11 -0.235 -2.554 -5.599
114 HD11 LEU 11 HD11 LEU 11 -2.621 -1.729 -3.966
115 HD12 LEU 11 HD12 LEU 11 -1.934 -3.350 -4.064
116 HD13 LEU 11 HD13 LEU 11 -2.659 -2.612 -5.492
117 HD21 LEU 11 HD21 LEU 11 -1.428 0.179 -5.202
118 HD22 LEU 11 HD22 LEU 11 -1.549 -0.800 -6.663
119 HD23 LEU 11 HD23 LEU 11 0.022 -0.207 -6.127
120 H ALA 12 HN ALA 12 1.011 -1.067 -0.966
121 HA ALA 12 HA ALA 12 3.800 -0.932 -1.154
122 HB1 ALA 12 HB1 ALA 12 3.723 0.243 0.976
123 HB2 ALA 12 HB2 ALA 12 2.074 -0.323 1.245
124 HB3 ALA 12 HB3 ALA 12 2.417 0.793 -0.077
125 H ALA 13 HN ALA 13 1.725 -3.089 0.606
126 HA ALA 13 HA ALA 13 3.765 -4.150 2.295
127 HB1 ALA 13 HB1 ALA 13 1.392 -4.286 2.906
128 HB2 ALA 13 HB2 ALA 13 2.138 -5.884 2.852
129 HB3 ALA 13 HB3 ALA 13 1.106 -5.349 1.528
130 H LYS 14 HN LYS 14 2.480 -4.959 -0.865
131 HA LYS 14 HA LYS 14 3.914 -7.448 -1.022
132 HB2 LYS 14 HB2 LYS 14 2.554 -5.879 -3.218
133 HB3 LYS 14 HB1 LYS 14 3.121 -7.537 -3.336
134 HG2 LYS 14 HG2 LYS 14 0.909 -6.538 -1.546
135 HG3 LYS 14 HG1 LYS 14 0.705 -7.437 -3.046
136 HD2 LYS 14 HD2 LYS 14 1.868 -9.346 -2.054
137 HD3 LYS 14 HD1 LYS 14 2.087 -8.438 -0.559
138 HE2 LYS 14 HE2 LYS 14 -0.320 -8.285 -0.259
139 HE3 LYS 14 HE1 LYS 14 -0.580 -9.137 -1.778
140 HZ1 LYS 14 HZ1 LYS 14 0.451 -11.090 -0.840
141 HZ2 LYS 14 HZ2 LYS 14 -0.804 -10.603 0.146
142 HZ3 LYS 14 HZ3 LYS 14 0.797 -10.283 0.594
143 H ILE 15 HN ILE 15 4.412 -4.131 -2.144
144 HA ILE 15 HA ILE 15 7.188 -4.700 -2.579
145 HB ILE 15 HB ILE 15 6.202 -5.349 -4.761
146 HG12 ILE 15 HG12 ILE 15 7.693 -2.718 -4.936
147 HG13 ILE 15 HG11 ILE 15 8.427 -4.299 -4.708
148 HG21 ILE 15 HG21 ILE 15 4.178 -4.021 -4.721
149 HG22 ILE 15 HG22 ILE 15 5.088 -3.694 -6.198
150 HG23 ILE 15 HG23 ILE 15 5.120 -2.537 -4.869
151 HD11 ILE 15 HD11 ILE 15 6.867 -3.417 -7.118
152 HD12 ILE 15 HD12 ILE 15 7.639 -4.990 -6.901
153 HD13 ILE 15 HD13 ILE 15 8.622 -3.529 -7.003
154 H ALA 16 HN ALA 16 8.424 -2.801 -2.479
155 HA ALA 16 HA ALA 16 7.246 -0.617 -1.144
156 HB1 ALA 16 HB1 ALA 16 9.934 -0.773 -2.509
157 HB2 ALA 16 HB2 ALA 16 9.608 -1.219 -0.837
158 HB3 ALA 16 HB3 ALA 16 9.441 0.460 -1.352
159 HA PRO 17 HA PRO 17 5.694 1.289 -4.852
160 HB2 PRO 17 HB2 PRO 17 4.245 3.208 -3.702
161 HB3 PRO 17 HB1 PRO 17 3.794 1.505 -3.554
162 HG2 PRO 17 HG2 PRO 17 5.178 3.274 -1.580
163 HG3 PRO 17 HG1 PRO 17 3.919 2.059 -1.306
164 HD2 PRO 17 HD2 PRO 17 6.628 1.649 -0.907
165 HD3 PRO 17 HD1 PRO 17 5.433 0.364 -1.172
166 H VAL 18 HN VAL 18 8.258 2.322 -3.293
167 HA VAL 18 HA VAL 18 8.234 5.094 -4.161
168 HB VAL 18 HB VAL 18 10.557 3.508 -3.001
169 HG11 VAL 18 HG11 VAL 18 11.287 5.475 -4.227
170 HG12 VAL 18 HG12 VAL 18 11.535 5.704 -2.496
171 HG13 VAL 18 HG13 VAL 18 10.175 6.485 -3.303
172 HG21 VAL 18 HG21 VAL 18 8.713 3.594 -1.405
173 HG22 VAL 18 HG22 VAL 18 8.612 5.343 -1.593
174 HG23 VAL 18 HG23 VAL 18 10.044 4.617 -0.863
175 H TRP 19 HN TRP 19 10.509 2.399 -4.696
176 HA TRP 19 HA TRP 19 10.231 2.369 -7.475
177 HB2 TRP 19 HB2 TRP 19 11.539 4.531 -7.171
178 HB3 TRP 19 HB1 TRP 19 12.854 3.550 -6.526
179 HD1 TRP 19 HD1 TRP 19 14.431 2.419 -8.258
180 HE1 TRP 19 HE1 TRP 19 14.491 2.313 -10.838
181 HE3 TRP 19 HE3 TRP 19 9.859 4.428 -9.255
182 HZ2 TRP 19 HZ2 TRP 19 12.811 2.984 -12.987
183 HZ3 TRP 19 HZ3 TRP 19 9.155 4.655 -11.597
184 HH2 TRP 19 HH2 TRP 19 10.610 3.942 -13.418
Start of MODEL 5
1 H2 PRO 1 HT1 PRO 1 -17.584 2.296 -4.781
2 H3 PRO 1 HT2 PRO 1 -16.504 1.224 -5.382
3 HA PRO 1 HA PRO 1 -14.711 2.755 -5.340
4 HB2 PRO 1 HB2 PRO 1 -15.616 4.270 -3.158
5 HB3 PRO 1 HB1 PRO 1 -15.216 4.876 -4.765
6 HG2 PRO 1 HG2 PRO 1 -17.874 4.183 -3.623
7 HG3 PRO 1 HG1 PRO 1 -17.460 5.401 -4.839
8 HD2 PRO 1 HD2 PRO 1 -18.689 3.157 -5.559
9 HD3 PRO 1 HD1 PRO 1 -17.434 3.897 -6.554
10 H MET 2 HN MET 2 -13.680 3.024 -2.967
11 HA MET 2 HA MET 2 -14.589 1.482 -0.860
12 HB2 MET 2 HB2 MET 2 -12.992 -0.395 -0.968
13 HB3 MET 2 HB1 MET 2 -14.033 -0.442 -2.380
14 HG2 MET 2 HG2 MET 2 -12.258 0.511 -3.743
15 HG3 MET 2 HG1 MET 2 -11.224 0.648 -2.324
16 HE1 MET 2 HE1 MET 2 -13.017 -1.801 -4.817
17 HE2 MET 2 HE2 MET 2 -13.646 -2.367 -3.266
18 HE3 MET 2 HE3 MET 2 -12.540 -3.378 -4.193
19 H LYS 3 HN LYS 3 -12.522 1.267 0.669
20 HA LYS 3 HA LYS 3 -11.198 3.769 0.540
21 HB2 LYS 3 HB2 LYS 3 -10.743 1.380 2.314
22 HB3 LYS 3 HB1 LYS 3 -10.015 2.968 2.531
23 HG2 LYS 3 HG2 LYS 3 -12.226 3.946 2.833
24 HG3 LYS 3 HG1 LYS 3 -12.950 2.350 2.637
25 HD2 LYS 3 HD2 LYS 3 -10.948 3.072 4.738
26 HD3 LYS 3 HD1 LYS 3 -12.700 3.095 4.992
27 HE2 LYS 3 HE2 LYS 3 -12.758 0.695 4.418
28 HE3 LYS 3 HE1 LYS 3 -11.002 0.704 4.264
29 HZ1 LYS 3 HZ1 LYS 3 -11.689 -0.118 6.421
30 HZ2 LYS 3 HZ2 LYS 3 -12.550 1.277 6.721
31 HZ3 LYS 3 HZ3 LYS 3 -10.865 1.348 6.602
32 H LYS 4 HN LYS 4 -9.805 4.038 -1.001
33 HA LYS 4 HA LYS 4 -8.300 1.965 -2.188
34 HB2 LYS 4 HB2 LYS 4 -8.009 4.950 -2.420
35 HB3 LYS 4 HB1 LYS 4 -7.227 3.778 -3.472
36 HG2 LYS 4 HG2 LYS 4 -9.418 2.986 -4.229
37 HG3 LYS 4 HG1 LYS 4 -10.204 4.164 -3.182
38 HD2 LYS 4 HD2 LYS 4 -8.337 4.806 -5.462
39 HD3 LYS 4 HD1 LYS 4 -10.093 4.924 -5.521
40 HE2 LYS 4 HE2 LYS 4 -10.015 6.625 -3.736
41 HE3 LYS 4 HE1 LYS 4 -8.255 6.510 -3.719
42 HZ1 LYS 4 HZ1 LYS 4 -8.243 7.222 -6.024
43 HZ2 LYS 4 HZ2 LYS 4 -8.959 8.373 -5.034
44 HZ3 LYS 4 HZ3 LYS 4 -9.916 7.404 -6.009
45 H LEU 5 HN LEU 5 -7.789 3.895 0.534
46 HA LEU 5 HA LEU 5 -4.961 3.891 0.616
47 HB2 LEU 5 HB2 LEU 5 -6.981 4.077 2.867
48 HB3 LEU 5 HB1 LEU 5 -5.260 4.242 3.112
49 HG LEU 5 HG LEU 5 -5.315 6.266 1.607
50 HD11 LEU 5 HD11 LEU 5 -7.445 7.389 1.214
51 HD12 LEU 5 HD12 LEU 5 -8.299 5.980 1.850
52 HD13 LEU 5 HD13 LEU 5 -7.350 5.841 0.373
53 HD21 LEU 5 HD21 LEU 5 -7.006 6.346 4.096
54 HD22 LEU 5 HD22 LEU 5 -6.314 7.751 3.290
55 HD23 LEU 5 HD23 LEU 5 -5.253 6.534 3.998
56 H LYS 6 HN LYS 6 -7.390 1.606 1.589
57 HA LYS 6 HA LYS 6 -5.801 -0.278 2.945
58 HB2 LYS 6 HB2 LYS 6 -8.218 -0.347 3.064
59 HB3 LYS 6 HB1 LYS 6 -8.343 -0.535 1.328
60 HG2 LYS 6 HG2 LYS 6 -7.394 -2.774 1.498
61 HG3 LYS 6 HG1 LYS 6 -7.217 -2.569 3.244
62 HD2 LYS 6 HD2 LYS 6 -9.618 -2.324 3.490
63 HD3 LYS 6 HD1 LYS 6 -9.830 -2.419 1.746
64 HE2 LYS 6 HE2 LYS 6 -8.653 -4.618 3.434
65 HE3 LYS 6 HE1 LYS 6 -10.347 -4.530 2.974
66 HZ1 LYS 6 HZ1 LYS 6 -9.685 -4.638 0.649
67 HZ2 LYS 6 HZ2 LYS 6 -9.105 -5.966 1.478
68 HZ3 LYS 6 HZ3 LYS 6 -8.058 -4.705 1.078
69 H LEU 7 HN LEU 7 -6.584 0.231 -0.410
70 HA LEU 7 HA LEU 7 -5.322 -2.087 -1.480
71 HB2 LEU 7 HB2 LEU 7 -5.943 0.545 -2.814
72 HB3 LEU 7 HB1 LEU 7 -5.552 -0.952 -3.633
73 HG LEU 7 HG LEU 7 -8.023 -0.469 -1.968
74 HD11 LEU 7 HD11 LEU 7 -7.655 -0.652 -4.945
75 HD12 LEU 7 HD12 LEU 7 -8.018 0.820 -4.044
76 HD13 LEU 7 HD13 LEU 7 -9.197 -0.492 -4.108
77 HD21 LEU 7 HD21 LEU 7 -7.196 -2.803 -3.689
78 HD22 LEU 7 HD22 LEU 7 -8.778 -2.594 -2.942
79 HD23 LEU 7 HD23 LEU 7 -7.347 -2.800 -1.931
80 H ALA 8 HN ALA 8 -4.400 1.278 -1.040
81 HA ALA 8 HA ALA 8 -1.906 1.200 -2.305
82 HB1 ALA 8 HB1 ALA 8 -1.410 3.249 -1.077
83 HB2 ALA 8 HB2 ALA 8 -2.762 2.938 0.010
84 HB3 ALA 8 HB3 ALA 8 -3.063 3.286 -1.691
85 H LEU 9 HN LEU 9 -2.812 0.685 1.067
86 HA LEU 9 HA LEU 9 -0.239 0.264 2.076
87 HB2 LEU 9 HB2 LEU 9 -2.423 0.682 3.342
88 HB3 LEU 9 HB1 LEU 9 -2.787 -1.005 3.095
89 HG LEU 9 HG LEU 9 -0.398 -0.002 4.670
90 HD11 LEU 9 HD11 LEU 9 -3.079 -0.957 5.639
91 HD12 LEU 9 HD12 LEU 9 -2.458 0.692 5.724
92 HD13 LEU 9 HD13 LEU 9 -1.684 -0.590 6.652
93 HD21 LEU 9 HD21 LEU 9 -0.116 -2.293 3.840
94 HD22 LEU 9 HD22 LEU 9 -1.678 -2.737 4.518
95 HD23 LEU 9 HD23 LEU 9 -0.350 -2.282 5.590
96 H ARG 10 HN ARG 10 -2.680 -2.081 0.844
97 HA ARG 10 HA ARG 10 -1.215 -4.346 1.280
98 HB2 ARG 10 HB2 ARG 10 -3.633 -4.223 0.796
99 HB3 ARG 10 HB1 ARG 10 -3.264 -3.785 -0.864
100 HG2 ARG 10 HG2 ARG 10 -3.863 -6.143 -0.616
101 HG3 ARG 10 HG1 ARG 10 -2.220 -5.923 -1.228
102 HD2 ARG 10 HD2 ARG 10 -2.330 -7.647 0.452
103 HD3 ARG 10 HD1 ARG 10 -1.304 -6.328 0.980
104 HE ARG 10 HE ARG 10 -4.084 -6.362 1.864
105 HH11 ARG 10 HH11 ARG 10 -0.687 -6.954 2.687
106 HH12 ARG 10 HH12 ARG 10 -0.934 -6.938 4.368
107 HH21 ARG 10 HH21 ARG 10 -4.430 -6.409 4.200
108 HH22 ARG 10 HH22 ARG 10 -3.113 -6.669 5.241
109 H LEU 11 HN LEU 11 -1.280 -2.137 -1.467
110 HA LEU 11 HA LEU 11 0.297 -3.642 -3.230
111 HB2 LEU 11 HB2 LEU 11 -1.032 -1.676 -3.898
112 HB3 LEU 11 HB1 LEU 11 0.051 -0.641 -2.993
113 HG LEU 11 HG LEU 11 1.894 -1.284 -4.525
114 HD11 LEU 11 HD11 LEU 11 -0.288 -2.701 -6.039
115 HD12 LEU 11 HD12 LEU 11 1.101 -3.450 -5.248
116 HD13 LEU 11 HD13 LEU 11 1.338 -2.394 -6.637
117 HD21 LEU 11 HD21 LEU 11 0.627 0.764 -4.907
118 HD22 LEU 11 HD22 LEU 11 -0.554 -0.133 -5.861
119 HD23 LEU 11 HD23 LEU 11 1.104 0.029 -6.437
120 H ALA 12 HN ALA 12 1.167 -1.129 -0.890
121 HA ALA 12 HA ALA 12 3.954 -1.268 -1.411
122 HB1 ALA 12 HB1 ALA 12 4.194 0.146 0.567
123 HB2 ALA 12 HB2 ALA 12 2.492 -0.128 0.965
124 HB3 ALA 12 HB3 ALA 12 2.927 0.735 -0.505
125 H ALA 13 HN ALA 13 1.880 -3.196 0.417
126 HA ALA 13 HA ALA 13 3.870 -4.235 2.199
127 HB1 ALA 13 HB1 ALA 13 2.166 -5.844 2.866
128 HB2 ALA 13 HB2 ALA 13 1.145 -5.336 1.521
129 HB3 ALA 13 HB3 ALA 13 1.502 -4.211 2.832
130 H LYS 14 HN LYS 14 2.675 -5.034 -0.978
131 HA LYS 14 HA LYS 14 4.138 -7.556 -0.875
132 HB2 LYS 14 HB2 LYS 14 3.173 -8.055 -3.083
133 HB3 LYS 14 HB1 LYS 14 1.940 -7.724 -1.881
134 HG2 LYS 14 HG2 LYS 14 1.649 -5.473 -2.787
135 HG3 LYS 14 HG1 LYS 14 2.910 -5.792 -3.976
136 HD2 LYS 14 HD2 LYS 14 0.311 -7.302 -3.739
137 HD3 LYS 14 HD1 LYS 14 0.639 -6.024 -4.909
138 HE2 LYS 14 HE2 LYS 14 2.477 -7.389 -5.838
139 HE3 LYS 14 HE1 LYS 14 2.082 -8.667 -4.694
140 HZ1 LYS 14 HZ1 LYS 14 0.301 -7.625 -6.813
141 HZ2 LYS 14 HZ2 LYS 14 -0.120 -8.786 -5.671
142 HZ3 LYS 14 HZ3 LYS 14 1.081 -9.128 -6.804
143 H ILE 15 HN ILE 15 4.255 -4.438 -2.490
144 HA ILE 15 HA ILE 15 7.011 -5.026 -3.168
145 HB ILE 15 HB ILE 15 6.778 -3.689 -5.273
146 HG12 ILE 15 HG12 ILE 15 3.790 -3.996 -4.840
147 HG13 ILE 15 HG11 ILE 15 4.690 -2.494 -4.687
148 HG21 ILE 15 HG21 ILE 15 6.866 -6.087 -5.429
149 HG22 ILE 15 HG22 ILE 15 5.756 -5.453 -6.644
150 HG23 ILE 15 HG23 ILE 15 5.125 -6.200 -5.177
151 HD11 ILE 15 HD11 ILE 15 3.517 -2.603 -6.806
152 HD12 ILE 15 HD12 ILE 15 4.348 -4.108 -7.203
153 HD13 ILE 15 HD13 ILE 15 5.263 -2.607 -7.063
154 H ALA 16 HN ALA 16 8.337 -3.282 -2.914
155 HA ALA 16 HA ALA 16 7.384 -1.422 -0.948
156 HB1 ALA 16 HB1 ALA 16 10.063 -1.642 -2.312
157 HB2 ALA 16 HB2 ALA 16 9.607 -2.391 -0.779
158 HB3 ALA 16 HB3 ALA 16 9.706 -0.634 -0.907
159 HA PRO 17 HA PRO 17 6.506 2.032 -3.579
160 HB2 PRO 17 HB2 PRO 17 7.756 4.056 -2.106
161 HB3 PRO 17 HB1 PRO 17 6.097 3.503 -1.870
162 HG2 PRO 17 HG2 PRO 17 8.563 2.795 -0.358
163 HG3 PRO 17 HG1 PRO 17 6.903 2.995 0.228
164 HD2 PRO 17 HD2 PRO 17 8.012 0.569 -0.114
165 HD3 PRO 17 HD1 PRO 17 6.286 0.864 -0.409
166 H VAL 18 HN VAL 18 7.708 1.701 -5.329
167 HA VAL 18 HA VAL 18 10.544 1.712 -5.303
168 HB VAL 18 HB VAL 18 10.410 1.406 -7.747
169 HG11 VAL 18 HG11 VAL 18 9.241 -0.768 -7.714
170 HG12 VAL 18 HG12 VAL 18 8.535 -0.343 -6.155
171 HG13 VAL 18 HG13 VAL 18 10.280 -0.543 -6.307
172 HG21 VAL 18 HG21 VAL 18 8.452 2.783 -8.217
173 HG22 VAL 18 HG22 VAL 18 7.426 1.652 -7.345
174 HG23 VAL 18 HG23 VAL 18 8.223 1.150 -8.840
175 H TRP 19 HN TRP 19 11.908 3.084 -6.456
176 HA TRP 19 HA TRP 19 10.870 5.751 -6.971
177 HB2 TRP 19 HB2 TRP 19 11.774 5.616 -4.642
178 HB3 TRP 19 HB1 TRP 19 13.311 5.088 -5.300
179 HD1 TRP 19 HD1 TRP 19 14.708 6.996 -6.712
180 HE1 TRP 19 HE1 TRP 19 14.738 9.559 -6.424
181 HE3 TRP 19 HE3 TRP 19 10.401 7.558 -4.043
182 HZ2 TRP 19 HZ2 TRP 19 13.146 11.546 -5.215
183 HZ3 TRP 19 HZ3 TRP 19 9.723 9.821 -3.357
184 HH2 TRP 19 HH2 TRP 19 11.069 11.770 -3.933
Start of MODEL 6
1 H2 PRO 1 HT1 PRO 1 -16.453 0.249 -4.373
2 H3 PRO 1 HT2 PRO 1 -14.756 0.018 -4.008
3 HA PRO 1 HA PRO 1 -16.984 0.266 -2.106
4 HB2 PRO 1 HB2 PRO 1 -15.585 -2.322 -2.331
5 HB3 PRO 1 HB1 PRO 1 -17.310 -1.985 -2.122
6 HG2 PRO 1 HG2 PRO 1 -16.343 -2.769 -4.501
7 HG3 PRO 1 HG1 PRO 1 -17.659 -1.589 -4.376
8 HD2 PRO 1 HD2 PRO 1 -14.777 -1.202 -4.951
9 HD3 PRO 1 HD1 PRO 1 -16.119 -0.385 -5.702
10 H MET 2 HN MET 2 -13.816 -1.472 -2.174
11 HA MET 2 HA MET 2 -13.279 -0.475 0.454
12 HB2 MET 2 HB2 MET 2 -11.619 -2.158 -1.428
13 HB3 MET 2 HB1 MET 2 -11.145 -1.745 0.212
14 HG2 MET 2 HG2 MET 2 -13.107 -2.921 1.072
15 HG3 MET 2 HG1 MET 2 -13.567 -3.341 -0.575
16 HE1 MET 2 HE1 MET 2 -10.661 -5.766 -1.622
17 HE2 MET 2 HE2 MET 2 -10.754 -4.032 -1.918
18 HE3 MET 2 HE3 MET 2 -12.189 -5.038 -2.111
19 H LYS 3 HN LYS 3 -11.996 1.114 0.985
20 HA LYS 3 HA LYS 3 -11.414 3.127 -0.849
21 HB2 LYS 3 HB2 LYS 3 -10.203 4.212 1.003
22 HB3 LYS 3 HB1 LYS 3 -11.780 3.609 1.493
23 HG2 LYS 3 HG2 LYS 3 -10.667 1.628 2.482
24 HG3 LYS 3 HG1 LYS 3 -9.113 2.332 2.056
25 HD2 LYS 3 HD2 LYS 3 -9.611 2.763 4.386
26 HD3 LYS 3 HD1 LYS 3 -9.626 4.273 3.479
27 HE2 LYS 3 HE2 LYS 3 -12.028 4.281 3.423
28 HE3 LYS 3 HE1 LYS 3 -12.099 2.682 4.157
29 HZ1 LYS 3 HZ1 LYS 3 -11.021 5.123 5.462
30 HZ2 LYS 3 HZ2 LYS 3 -11.159 3.600 6.162
31 HZ3 LYS 3 HZ3 LYS 3 -12.544 4.453 5.743
32 H LYS 4 HN LYS 4 -9.601 3.810 -1.800
33 HA LYS 4 HA LYS 4 -7.766 1.861 -2.665
34 HB2 LYS 4 HB2 LYS 4 -7.583 4.861 -2.897
35 HB3 LYS 4 HB1 LYS 4 -6.635 3.708 -3.821
36 HG2 LYS 4 HG2 LYS 4 -8.704 2.823 -4.805
37 HG3 LYS 4 HG1 LYS 4 -9.621 4.034 -3.915
38 HD2 LYS 4 HD2 LYS 4 -8.385 5.805 -5.081
39 HD3 LYS 4 HD1 LYS 4 -7.506 4.574 -5.992
40 HE2 LYS 4 HE2 LYS 4 -9.639 3.738 -6.875
41 HE3 LYS 4 HE1 LYS 4 -10.484 5.019 -6.014
42 HZ1 LYS 4 HZ1 LYS 4 -8.442 5.447 -8.124
43 HZ2 LYS 4 HZ2 LYS 4 -9.335 6.657 -7.356
44 HZ3 LYS 4 HZ3 LYS 4 -10.103 5.542 -8.348
45 H LEU 5 HN LEU 5 -7.739 4.072 -0.055
46 HA LEU 5 HA LEU 5 -4.976 4.153 0.515
47 HB2 LEU 5 HB2 LEU 5 -7.298 4.305 2.422
48 HB3 LEU 5 HB1 LEU 5 -5.646 4.751 2.792
49 HG LEU 5 HG LEU 5 -7.453 6.132 0.816
50 HD11 LEU 5 HD11 LEU 5 -8.065 6.517 3.134
51 HD12 LEU 5 HD12 LEU 5 -7.358 7.967 2.415
52 HD13 LEU 5 HD13 LEU 5 -6.402 6.969 3.508
53 HD21 LEU 5 HD21 LEU 5 -5.125 6.215 0.088
54 HD22 LEU 5 HD22 LEU 5 -4.639 6.774 1.689
55 HD23 LEU 5 HD23 LEU 5 -5.659 7.789 0.673
56 H LYS 6 HN LYS 6 -7.454 1.800 1.206
57 HA LYS 6 HA LYS 6 -5.895 0.313 3.105
58 HB2 LYS 6 HB2 LYS 6 -8.383 0.386 3.142
59 HB3 LYS 6 HB1 LYS 6 -8.413 -0.421 1.586
60 HG2 LYS 6 HG2 LYS 6 -7.425 -2.410 2.590
61 HG3 LYS 6 HG1 LYS 6 -7.349 -1.590 4.153
62 HD2 LYS 6 HD2 LYS 6 -9.799 -1.336 4.116
63 HD3 LYS 6 HD1 LYS 6 -9.856 -2.197 2.579
64 HE2 LYS 6 HE2 LYS 6 -8.907 -4.178 3.661
65 HE3 LYS 6 HE1 LYS 6 -8.845 -3.313 5.193
66 HZ1 LYS 6 HZ1 LYS 6 -11.248 -3.125 5.152
67 HZ2 LYS 6 HZ2 LYS 6 -10.809 -4.749 5.018
68 HZ3 LYS 6 HZ3 LYS 6 -11.329 -3.917 3.672
69 H LEU 7 HN LEU 7 -6.729 0.188 -0.279
70 HA LEU 7 HA LEU 7 -5.462 -2.269 -0.908
71 HB2 LEU 7 HB2 LEU 7 -6.062 0.089 -2.698
72 HB3 LEU 7 HB1 LEU 7 -5.667 -1.528 -3.241
73 HG LEU 7 HG LEU 7 -8.151 -0.746 -1.710
74 HD11 LEU 7 HD11 LEU 7 -9.323 -1.233 -3.794
75 HD12 LEU 7 HD12 LEU 7 -7.779 -1.512 -4.596
76 HD13 LEU 7 HD13 LEU 7 -8.178 0.092 -3.985
77 HD21 LEU 7 HD21 LEU 7 -7.473 -3.024 -1.177
78 HD22 LEU 7 HD22 LEU 7 -7.318 -3.398 -2.893
79 HD23 LEU 7 HD23 LEU 7 -8.904 -3.037 -2.210
80 H ALA 8 HN ALA 8 -4.429 1.075 -0.879
81 HA ALA 8 HA ALA 8 -1.904 0.797 -2.037
82 HB1 ALA 8 HB1 ALA 8 -2.772 2.755 0.085
83 HB2 ALA 8 HB2 ALA 8 -3.019 2.947 -1.650
84 HB3 ALA 8 HB3 ALA 8 -1.384 2.929 -0.990
85 H LEU 9 HN LEU 9 -3.039 0.111 1.175
86 HA LEU 9 HA LEU 9 -0.484 -0.117 2.436
87 HB2 LEU 9 HB2 LEU 9 -3.130 -1.374 3.161
88 HB3 LEU 9 HB1 LEU 9 -1.716 -1.343 4.193
89 HG LEU 9 HG LEU 9 -3.242 1.090 3.274
90 HD11 LEU 9 HD11 LEU 9 -3.188 -0.295 5.945
91 HD12 LEU 9 HD12 LEU 9 -4.539 -0.284 4.813
92 HD13 LEU 9 HD13 LEU 9 -4.016 1.218 5.578
93 HD21 LEU 9 HD21 LEU 9 -0.902 1.588 3.671
94 HD22 LEU 9 HD22 LEU 9 -0.967 0.752 5.218
95 HD23 LEU 9 HD23 LEU 9 -1.883 2.241 4.987
96 H ARG 10 HN ARG 10 -2.561 -2.208 0.635
97 HA ARG 10 HA ARG 10 -1.149 -4.642 1.151
98 HB2 ARG 10 HB2 ARG 10 -3.071 -3.889 -1.065
99 HB3 ARG 10 HB1 ARG 10 -2.482 -5.513 -0.749
100 HG2 ARG 10 HG2 ARG 10 -3.615 -5.569 1.368
101 HG3 ARG 10 HG1 ARG 10 -4.073 -3.874 1.198
102 HD2 ARG 10 HD2 ARG 10 -5.930 -5.377 0.680
103 HD3 ARG 10 HD1 ARG 10 -5.463 -4.415 -0.717
104 HE ARG 10 HE ARG 10 -4.082 -6.675 -1.102
105 HH11 ARG 10 HH11 ARG 10 -7.499 -6.141 -0.337
106 HH12 ARG 10 HH12 ARG 10 -8.042 -7.538 -1.144
107 HH21 ARG 10 HH21 ARG 10 -4.859 -8.583 -2.252
108 HH22 ARG 10 HH22 ARG 10 -6.524 -8.939 -2.251
109 H LEU 11 HN LEU 11 -1.336 -2.312 -1.446
110 HA LEU 11 HA LEU 11 0.454 -3.426 -3.245
111 HB2 LEU 11 HB2 LEU 11 -1.087 -1.557 -3.714
112 HB3 LEU 11 HB1 LEU 11 -0.097 -0.509 -2.721
113 HG LEU 11 HG LEU 11 1.772 -0.806 -4.324
114 HD11 LEU 11 HD11 LEU 11 1.156 -2.978 -5.230
115 HD12 LEU 11 HD12 LEU 11 1.310 -1.782 -6.515
116 HD13 LEU 11 HD13 LEU 11 -0.288 -2.275 -5.958
117 HD21 LEU 11 HD21 LEU 11 -0.814 0.176 -5.510
118 HD22 LEU 11 HD22 LEU 11 0.801 0.579 -6.089
119 HD23 LEU 11 HD23 LEU 11 0.277 1.112 -4.490
120 H ALA 12 HN ALA 12 1.062 -1.063 -0.655
121 HA ALA 12 HA ALA 12 3.834 -0.804 -1.162
122 HB1 ALA 12 HB1 ALA 12 3.960 0.304 0.998
123 HB2 ALA 12 HB2 ALA 12 2.321 -0.241 1.377
124 HB3 ALA 12 HB3 ALA 12 2.600 0.883 0.045
125 H ALA 13 HN ALA 13 2.077 -3.269 0.385
126 HA ALA 13 HA ALA 13 4.298 -4.211 1.965
127 HB1 ALA 13 HB1 ALA 13 1.676 -5.548 1.295
128 HB2 ALA 13 HB2 ALA 13 2.001 -4.581 2.734
129 HB3 ALA 13 HB3 ALA 13 2.849 -6.110 2.488
130 H LYS 14 HN LYS 14 2.983 -4.663 -1.216
131 HA LYS 14 HA LYS 14 4.495 -7.076 -1.753
132 HB2 LYS 14 HB2 LYS 14 2.742 -5.303 -3.414
133 HB3 LYS 14 HB1 LYS 14 3.437 -6.832 -3.939
134 HG2 LYS 14 HG2 LYS 14 2.120 -8.065 -2.459
135 HG3 LYS 14 HG1 LYS 14 1.688 -6.635 -1.524
136 HD2 LYS 14 HD2 LYS 14 -0.112 -7.498 -3.012
137 HD3 LYS 14 HD1 LYS 14 0.309 -5.805 -3.274
138 HE2 LYS 14 HE2 LYS 14 0.001 -6.924 -5.358
139 HE3 LYS 14 HE1 LYS 14 1.685 -6.468 -5.172
140 HZ1 LYS 14 HZ1 LYS 14 0.586 -9.209 -4.792
141 HZ2 LYS 14 HZ2 LYS 14 2.175 -8.781 -4.497
142 HZ3 LYS 14 HZ3 LYS 14 1.560 -8.681 -6.047
143 H ILE 15 HN ILE 15 4.481 -3.642 -2.550
144 HA ILE 15 HA ILE 15 7.150 -3.934 -3.608
145 HB ILE 15 HB ILE 15 5.808 -3.922 -5.607
146 HG12 ILE 15 HG12 ILE 15 6.973 -1.158 -5.190
147 HG13 ILE 15 HG11 ILE 15 7.853 -2.583 -5.728
148 HG21 ILE 15 HG21 ILE 15 3.723 -3.077 -4.771
149 HG22 ILE 15 HG22 ILE 15 4.217 -2.151 -6.189
150 HG23 ILE 15 HG23 ILE 15 4.417 -1.469 -4.576
151 HD11 ILE 15 HD11 ILE 15 5.639 -1.195 -7.226
152 HD12 ILE 15 HD12 ILE 15 6.496 -2.636 -7.767
153 HD13 ILE 15 HD13 ILE 15 7.363 -1.111 -7.590
154 H ALA 16 HN ALA 16 8.439 -2.594 -2.702
155 HA ALA 16 HA ALA 16 7.511 -0.673 -0.825
156 HB1 ALA 16 HB1 ALA 16 10.300 -1.187 -1.858
157 HB2 ALA 16 HB2 ALA 16 9.561 -1.958 -0.457
158 HB3 ALA 16 HB3 ALA 16 9.886 -0.226 -0.438
159 HA PRO 17 HA PRO 17 7.070 2.507 -3.869
160 HB2 PRO 17 HB2 PRO 17 6.438 4.535 -2.162
161 HB3 PRO 17 HB1 PRO 17 5.284 3.300 -2.674
162 HG2 PRO 17 HG2 PRO 17 6.823 3.519 -0.130
163 HG3 PRO 17 HG1 PRO 17 5.165 2.953 -0.400
164 HD2 PRO 17 HD2 PRO 17 7.292 1.299 0.007
165 HD3 PRO 17 HD1 PRO 17 5.841 0.835 -0.904
166 H VAL 18 HN VAL 18 9.159 2.642 -4.530
167 HA VAL 18 HA VAL 18 10.833 4.599 -3.163
168 HB VAL 18 HB VAL 18 12.684 3.839 -4.638
169 HG11 VAL 18 HG11 VAL 18 11.319 1.618 -3.139
170 HG12 VAL 18 HG12 VAL 18 12.429 2.812 -2.468
171 HG13 VAL 18 HG13 VAL 18 13.009 1.628 -3.638
172 HG21 VAL 18 HG21 VAL 18 11.403 3.108 -6.576
173 HG22 VAL 18 HG22 VAL 18 10.693 1.795 -5.635
174 HG23 VAL 18 HG23 VAL 18 12.421 1.792 -5.990
175 H TRP 19 HN TRP 19 11.892 6.223 -4.538
176 HA TRP 19 HA TRP 19 9.863 7.270 -6.346
177 HB2 TRP 19 HB2 TRP 19 10.733 8.618 -4.408
178 HB3 TRP 19 HB1 TRP 19 12.293 8.652 -5.217
179 HD1 TRP 19 HD1 TRP 19 12.461 10.180 -7.462
180 HE1 TRP 19 HE1 TRP 19 11.073 12.206 -8.225
181 HE3 TRP 19 HE3 TRP 19 8.417 9.578 -4.410
182 HZ2 TRP 19 HZ2 TRP 19 8.586 13.385 -7.616
183 HZ3 TRP 19 HZ3 TRP 19 6.578 11.204 -4.558
184 HH2 TRP 19 HH2 TRP 19 6.668 13.066 -6.131
Start of MODEL 7
1 H2 PRO 1 HT1 PRO 1 -13.929 -1.352 -6.171
2 H3 PRO 1 HT2 PRO 1 -12.867 -1.688 -7.352
3 HA PRO 1 HA PRO 1 -11.998 -2.291 -5.230
4 HB2 PRO 1 HB2 PRO 1 -10.225 -0.200 -5.155
5 HB3 PRO 1 HB1 PRO 1 -10.083 -1.594 -6.233
6 HG2 PRO 1 HG2 PRO 1 -11.156 1.133 -6.799
7 HG3 PRO 1 HG1 PRO 1 -10.202 0.063 -7.841
8 HD2 PRO 1 HD2 PRO 1 -12.820 0.366 -8.232
9 HD3 PRO 1 HD1 PRO 1 -12.000 -1.162 -8.479
10 H MET 2 HN MET 2 -12.572 -2.114 -3.154
11 HA MET 2 HA MET 2 -13.613 0.429 -2.225
12 HB2 MET 2 HB2 MET 2 -13.607 -2.310 -0.957
13 HB3 MET 2 HB1 MET 2 -14.227 -0.869 -0.169
14 HG2 MET 2 HG2 MET 2 -15.270 -2.054 -2.730
15 HG3 MET 2 HG1 MET 2 -15.999 -2.240 -1.136
16 HE1 MET 2 HE1 MET 2 -18.315 -1.409 -2.173
17 HE2 MET 2 HE2 MET 2 -17.545 -1.198 -3.746
18 HE3 MET 2 HE3 MET 2 -18.502 0.110 -3.050
19 H LYS 3 HN LYS 3 -12.502 1.747 -1.100
20 HA LYS 3 HA LYS 3 -10.971 2.742 0.114
21 HB2 LYS 3 HB2 LYS 3 -10.458 0.052 1.405
22 HB3 LYS 3 HB1 LYS 3 -9.972 1.616 2.050
23 HG2 LYS 3 HG2 LYS 3 -12.785 0.605 1.674
24 HG3 LYS 3 HG1 LYS 3 -11.944 0.866 3.204
25 HD2 LYS 3 HD2 LYS 3 -11.910 3.220 2.874
26 HD3 LYS 3 HD1 LYS 3 -12.461 3.067 1.213
27 HE2 LYS 3 HE2 LYS 3 -14.565 2.068 2.092
28 HE3 LYS 3 HE1 LYS 3 -14.019 2.514 3.712
29 HZ1 LYS 3 HZ1 LYS 3 -14.372 4.369 1.447
30 HZ2 LYS 3 HZ2 LYS 3 -13.923 4.817 3.005
31 HZ3 LYS 3 HZ3 LYS 3 -15.467 4.191 2.715
32 H LYS 4 HN LYS 4 -9.811 3.389 -1.445
33 HA LYS 4 HA LYS 4 -7.785 1.952 -2.773
34 HB2 LYS 4 HB2 LYS 4 -8.105 4.929 -2.440
35 HB3 LYS 4 HB1 LYS 4 -7.011 4.147 -3.567
36 HG2 LYS 4 HG2 LYS 4 -8.901 3.168 -4.742
37 HG3 LYS 4 HG1 LYS 4 -10.013 3.933 -3.604
38 HD2 LYS 4 HD2 LYS 4 -9.149 6.133 -4.266
39 HD3 LYS 4 HD1 LYS 4 -8.077 5.349 -5.419
40 HE2 LYS 4 HE2 LYS 4 -10.029 4.449 -6.607
41 HE3 LYS 4 HE1 LYS 4 -11.086 5.272 -5.459
42 HZ1 LYS 4 HZ1 LYS 4 -10.817 6.552 -7.492
43 HZ2 LYS 4 HZ2 LYS 4 -9.150 6.608 -7.263
44 HZ3 LYS 4 HZ3 LYS 4 -10.163 7.384 -6.181
45 H LEU 5 HN LEU 5 -7.765 3.778 0.199
46 HA LEU 5 HA LEU 5 -4.905 3.947 0.406
47 HB2 LEU 5 HB2 LEU 5 -7.028 4.243 2.535
48 HB3 LEU 5 HB1 LEU 5 -5.332 4.602 2.759
49 HG LEU 5 HG LEU 5 -7.200 6.067 0.888
50 HD11 LEU 5 HD11 LEU 5 -6.952 7.922 2.451
51 HD12 LEU 5 HD12 LEU 5 -5.967 6.911 3.503
52 HD13 LEU 5 HD13 LEU 5 -7.667 6.516 3.242
53 HD21 LEU 5 HD21 LEU 5 -4.922 6.033 0.037
54 HD22 LEU 5 HD22 LEU 5 -4.315 6.576 1.602
55 HD23 LEU 5 HD23 LEU 5 -5.333 7.639 0.634
56 H LYS 6 HN LYS 6 -7.370 1.764 1.431
57 HA LYS 6 HA LYS 6 -5.771 0.164 3.154
58 HB2 LYS 6 HB2 LYS 6 -8.203 0.187 3.309
59 HB3 LYS 6 HB1 LYS 6 -8.335 -0.387 1.658
60 HG2 LYS 6 HG2 LYS 6 -7.396 -2.526 2.307
61 HG3 LYS 6 HG1 LYS 6 -7.183 -1.937 3.960
62 HD2 LYS 6 HD2 LYS 6 -9.551 -1.678 4.234
63 HD3 LYS 6 HD1 LYS 6 -9.845 -2.077 2.546
64 HE2 LYS 6 HE2 LYS 6 -8.665 -3.918 4.619
65 HE3 LYS 6 HE1 LYS 6 -10.333 -3.964 4.049
66 HZ1 LYS 6 HZ1 LYS 6 -9.436 -4.407 1.805
67 HZ2 LYS 6 HZ2 LYS 6 -9.100 -5.616 2.906
68 HZ3 LYS 6 HZ3 LYS 6 -7.882 -4.541 2.469
69 H LEU 7 HN LEU 7 -6.737 -0.005 -0.227
70 HA LEU 7 HA LEU 7 -5.267 -2.358 -0.790
71 HB2 LEU 7 HB2 LEU 7 -6.287 -0.208 -2.634
72 HB3 LEU 7 HB1 LEU 7 -5.609 -1.735 -3.160
73 HG LEU 7 HG LEU 7 -8.135 -1.405 -1.540
74 HD11 LEU 7 HD11 LEU 7 -7.713 -2.183 -4.411
75 HD12 LEU 7 HD12 LEU 7 -8.378 -0.655 -3.832
76 HD13 LEU 7 HD13 LEU 7 -9.257 -2.161 -3.561
77 HD21 LEU 7 HD21 LEU 7 -8.443 -3.810 -1.964
78 HD22 LEU 7 HD22 LEU 7 -7.016 -3.492 -0.987
79 HD23 LEU 7 HD23 LEU 7 -6.843 -3.875 -2.702
80 H ALA 8 HN ALA 8 -4.484 1.050 -0.820
81 HA ALA 8 HA ALA 8 -2.010 0.874 -2.146
82 HB1 ALA 8 HB1 ALA 8 -1.476 3.007 -1.088
83 HB2 ALA 8 HB2 ALA 8 -2.829 2.798 0.025
84 HB3 ALA 8 HB3 ALA 8 -3.131 3.008 -1.700
85 H LEU 9 HN LEU 9 -2.957 0.338 1.171
86 HA LEU 9 HA LEU 9 -0.344 0.080 2.220
87 HB2 LEU 9 HB2 LEU 9 -2.372 0.467 3.595
88 HB3 LEU 9 HB1 LEU 9 -2.920 -1.149 3.206
89 HG LEU 9 HG LEU 9 -0.902 -2.047 4.340
90 HD11 LEU 9 HD11 LEU 9 -0.514 0.808 5.210
91 HD12 LEU 9 HD12 LEU 9 0.565 -0.135 4.180
92 HD13 LEU 9 HD13 LEU 9 0.336 -0.588 5.867
93 HD21 LEU 9 HD21 LEU 9 -2.729 -0.322 5.996
94 HD22 LEU 9 HD22 LEU 9 -1.724 -1.632 6.615
95 HD23 LEU 9 HD23 LEU 9 -3.032 -1.982 5.484
96 H ARG 10 HN ARG 10 -2.518 -2.056 0.561
97 HA ARG 10 HA ARG 10 -0.920 -4.405 1.041
98 HB2 ARG 10 HB2 ARG 10 -3.146 -3.977 -0.963
99 HB3 ARG 10 HB1 ARG 10 -2.394 -5.523 -0.609
100 HG2 ARG 10 HG2 ARG 10 -4.114 -3.853 1.208
101 HG3 ARG 10 HG1 ARG 10 -4.489 -5.432 0.519
102 HD2 ARG 10 HD2 ARG 10 -2.390 -4.799 2.602
103 HD3 ARG 10 HD1 ARG 10 -3.888 -5.697 2.819
104 HE ARG 10 HE ARG 10 -2.622 -7.151 0.954
105 HH11 ARG 10 HH11 ARG 10 -1.566 -5.968 4.137
106 HH12 ARG 10 HH12 ARG 10 -0.457 -7.231 4.382
107 HH21 ARG 10 HH21 ARG 10 -1.100 -8.877 1.319
108 HH22 ARG 10 HH22 ARG 10 -0.186 -8.923 2.737
109 H LEU 11 HN LEU 11 -1.246 -1.991 -1.467
110 HA LEU 11 HA LEU 11 0.492 -3.157 -3.353
111 HB2 LEU 11 HB2 LEU 11 -0.056 -0.238 -2.764
112 HB3 LEU 11 HB1 LEU 11 0.911 -0.787 -4.113
113 HG LEU 11 HG LEU 11 -2.025 -1.404 -3.731
114 HD11 LEU 11 HD11 LEU 11 -1.635 0.973 -4.188
115 HD12 LEU 11 HD12 LEU 11 -2.379 0.166 -5.566
116 HD13 LEU 11 HD13 LEU 11 -0.656 0.536 -5.588
117 HD21 LEU 11 HD21 LEU 11 -0.847 -3.131 -5.005
118 HD22 LEU 11 HD22 LEU 11 -0.166 -1.898 -6.062
119 HD23 LEU 11 HD23 LEU 11 -1.904 -2.187 -6.054
120 H ALA 12 HN ALA 12 1.068 -0.905 -0.699
121 HA ALA 12 HA ALA 12 3.863 -0.757 -0.986
122 HB1 ALA 12 HB1 ALA 12 2.536 0.910 0.227
123 HB2 ALA 12 HB2 ALA 12 3.838 0.263 1.228
124 HB3 ALA 12 HB3 ALA 12 2.183 -0.287 1.473
125 H ALA 13 HN ALA 13 1.876 -3.203 0.308
126 HA ALA 13 HA ALA 13 3.824 -4.317 2.079
127 HB1 ALA 13 HB1 ALA 13 1.426 -4.697 2.429
128 HB2 ALA 13 HB2 ALA 13 2.299 -6.219 2.263
129 HB3 ALA 13 HB3 ALA 13 1.350 -5.597 0.915
130 H LYS 14 HN LYS 14 2.723 -5.079 -1.233
131 HA LYS 14 HA LYS 14 4.771 -7.111 -1.409
132 HB2 LYS 14 HB2 LYS 14 3.790 -7.449 -3.722
133 HB3 LYS 14 HB1 LYS 14 2.756 -7.826 -2.355
134 HG2 LYS 14 HG2 LYS 14 1.602 -5.710 -2.627
135 HG3 LYS 14 HG1 LYS 14 2.665 -5.294 -3.971
136 HD2 LYS 14 HD2 LYS 14 1.857 -7.157 -5.237
137 HD3 LYS 14 HD1 LYS 14 0.876 -7.708 -3.880
138 HE2 LYS 14 HE2 LYS 14 0.541 -5.052 -5.261
139 HE3 LYS 14 HE1 LYS 14 -0.405 -6.499 -5.604
140 HZ1 LYS 14 HZ1 LYS 14 -0.301 -5.158 -2.948
141 HZ2 LYS 14 HZ2 LYS 14 -1.210 -6.495 -3.368
142 HZ3 LYS 14 HZ3 LYS 14 -1.554 -5.020 -4.082
143 H ILE 15 HN ILE 15 4.233 -3.855 -2.493
144 HA ILE 15 HA ILE 15 6.786 -3.951 -3.914
145 HB ILE 15 HB ILE 15 4.438 -2.054 -4.314
146 HG12 ILE 15 HG12 ILE 15 5.533 -4.168 -6.189
147 HG13 ILE 15 HG11 ILE 15 4.067 -4.343 -5.235
148 HG21 ILE 15 HG21 ILE 15 6.574 -0.931 -4.666
149 HG22 ILE 15 HG22 ILE 15 5.741 -1.154 -6.206
150 HG23 ILE 15 HG23 ILE 15 7.081 -2.212 -5.769
151 HD11 ILE 15 HD11 ILE 15 3.560 -3.784 -7.540
152 HD12 ILE 15 HD12 ILE 15 4.537 -2.320 -7.416
153 HD13 ILE 15 HD13 ILE 15 3.062 -2.479 -6.466
154 H ALA 16 HN ALA 16 8.269 -3.080 -2.661
155 HA ALA 16 HA ALA 16 7.580 -1.558 -0.342
156 HB1 ALA 16 HB1 ALA 16 10.281 -2.181 -1.518
157 HB2 ALA 16 HB2 ALA 16 9.433 -3.152 -0.317
158 HB3 ALA 16 HB3 ALA 16 9.978 -1.523 0.090
159 HA PRO 17 HA PRO 17 7.965 2.243 -2.638
160 HB2 PRO 17 HB2 PRO 17 6.877 3.867 -0.746
161 HB3 PRO 17 HB1 PRO 17 5.896 2.892 -1.842
162 HG2 PRO 17 HG2 PRO 17 6.503 2.471 1.027
163 HG3 PRO 17 HG1 PRO 17 5.085 1.978 0.093
164 HD2 PRO 17 HD2 PRO 17 7.236 0.336 0.851
165 HD3 PRO 17 HD1 PRO 17 5.990 -0.053 -0.347
166 H VAL 18 HN VAL 18 10.125 2.430 -2.637
167 HA VAL 18 HA VAL 18 11.571 3.034 -0.225
168 HB VAL 18 HB VAL 18 12.621 2.907 -3.078
169 HG11 VAL 18 HG11 VAL 18 14.825 2.624 -2.055
170 HG12 VAL 18 HG12 VAL 18 14.105 2.795 -0.456
171 HG13 VAL 18 HG13 VAL 18 14.092 4.157 -1.576
172 HG21 VAL 18 HG21 VAL 18 13.412 0.657 -2.518
173 HG22 VAL 18 HG22 VAL 18 11.654 0.766 -2.395
174 HG23 VAL 18 HG23 VAL 18 12.643 0.779 -0.937
175 H TRP 19 HN TRP 19 10.415 4.848 0.210
176 HA TRP 19 HA TRP 19 11.671 7.254 -0.007
177 HB2 TRP 19 HB2 TRP 19 9.383 6.979 -1.961
178 HB3 TRP 19 HB1 TRP 19 9.540 8.479 -1.063
179 HD1 TRP 19 HD1 TRP 19 12.675 8.853 -1.216
180 HE1 TRP 19 HE1 TRP 19 13.781 9.453 -3.448
181 HE3 TRP 19 HE3 TRP 19 8.999 7.242 -4.373
182 HZ2 TRP 19 HZ2 TRP 19 13.159 9.280 -6.208
183 HZ3 TRP 19 HZ3 TRP 19 9.333 7.511 -6.799
184 HH2 TRP 19 HH2 TRP 19 11.365 8.509 -7.686
Start of MODEL 8
1 H2 PRO 1 HT1 PRO 1 -17.133 1.747 -1.701
2 H3 PRO 1 HT2 PRO 1 -17.398 0.131 -1.501
3 HA PRO 1 HA PRO 1 -16.119 -0.425 -3.423
4 HB2 PRO 1 HB2 PRO 1 -14.408 1.770 -3.476
5 HB3 PRO 1 HB1 PRO 1 -15.579 1.361 -4.737
6 HG2 PRO 1 HG2 PRO 1 -15.827 3.307 -2.491
7 HG3 PRO 1 HG1 PRO 1 -16.451 3.416 -4.146
8 HD2 PRO 1 HD2 PRO 1 -18.118 2.870 -2.163
9 HD3 PRO 1 HD1 PRO 1 -18.244 2.071 -3.720
10 H MET 2 HN MET 2 -13.803 -0.853 -2.933
11 HA MET 2 HA MET 2 -13.366 -0.963 -0.102
12 HB2 MET 2 HB2 MET 2 -11.643 -1.800 -2.439
13 HB3 MET 2 HB1 MET 2 -11.111 -1.927 -0.772
14 HG2 MET 2 HG2 MET 2 -12.998 -3.416 -0.306
15 HG3 MET 2 HG1 MET 2 -13.473 -3.316 -2.002
16 HE1 MET 2 HE1 MET 2 -12.921 -6.045 -0.391
17 HE2 MET 2 HE2 MET 2 -12.045 -6.961 -1.615
18 HE3 MET 2 HE3 MET 2 -13.444 -5.990 -2.074
19 H LYS 3 HN LYS 3 -11.536 -0.097 0.916
20 HA LYS 3 HA LYS 3 -11.236 2.642 0.337
21 HB2 LYS 3 HB2 LYS 3 -9.856 0.859 2.336
22 HB3 LYS 3 HB1 LYS 3 -9.722 2.604 2.323
23 HG2 LYS 3 HG2 LYS 3 -12.249 1.014 2.768
24 HG3 LYS 3 HG1 LYS 3 -11.326 1.872 4.001
25 HD2 LYS 3 HD2 LYS 3 -11.800 4.002 2.873
26 HD3 LYS 3 HD1 LYS 3 -12.690 3.140 1.623
27 HE2 LYS 3 HE2 LYS 3 -14.214 4.132 3.223
28 HE3 LYS 3 HE1 LYS 3 -14.302 2.376 3.291
29 HZ1 LYS 3 HZ1 LYS 3 -12.759 4.071 5.173
30 HZ2 LYS 3 HZ2 LYS 3 -12.976 2.395 5.276
31 HZ3 LYS 3 HZ3 LYS 3 -14.283 3.437 5.483
32 H LYS 4 HN LYS 4 -9.856 3.599 -0.852
33 HA LYS 4 HA LYS 4 -8.050 2.388 -2.604
34 HB2 LYS 4 HB2 LYS 4 -7.969 5.220 -1.574
35 HB3 LYS 4 HB1 LYS 4 -7.223 4.625 -3.045
36 HG2 LYS 4 HG2 LYS 4 -9.451 4.178 -3.971
37 HG3 LYS 4 HG1 LYS 4 -10.172 4.822 -2.489
38 HD2 LYS 4 HD2 LYS 4 -9.041 6.957 -2.871
39 HD3 LYS 4 HD1 LYS 4 -8.348 6.322 -4.360
40 HE2 LYS 4 HE2 LYS 4 -10.632 6.001 -5.238
41 HE3 LYS 4 HE1 LYS 4 -11.268 6.718 -3.761
42 HZ1 LYS 4 HZ1 LYS 4 -11.115 8.353 -5.540
43 HZ2 LYS 4 HZ2 LYS 4 -9.463 8.065 -5.682
44 HZ3 LYS 4 HZ3 LYS 4 -10.069 8.748 -4.276
45 H LEU 5 HN LEU 5 -7.641 3.985 0.482
46 HA LEU 5 HA LEU 5 -4.842 3.933 0.585
47 HB2 LEU 5 HB2 LEU 5 -6.928 4.153 2.723
48 HB3 LEU 5 HB1 LEU 5 -5.234 4.045 3.136
49 HG LEU 5 HG LEU 5 -4.826 6.145 1.860
50 HD11 LEU 5 HD11 LEU 5 -6.752 6.024 0.319
51 HD12 LEU 5 HD12 LEU 5 -6.638 7.557 1.179
52 HD13 LEU 5 HD13 LEU 5 -7.820 6.362 1.689
53 HD21 LEU 5 HD21 LEU 5 -5.139 6.193 4.236
54 HD22 LEU 5 HD22 LEU 5 -6.889 6.287 4.031
55 HD23 LEU 5 HD23 LEU 5 -5.866 7.618 3.493
56 H LYS 6 HN LYS 6 -7.249 1.598 1.651
57 HA LYS 6 HA LYS 6 -5.353 -0.087 2.920
58 HB2 LYS 6 HB2 LYS 6 -8.141 -0.645 1.924
59 HB3 LYS 6 HB1 LYS 6 -7.158 -1.850 2.746
60 HG2 LYS 6 HG2 LYS 6 -7.008 -0.399 4.700
61 HG3 LYS 6 HG1 LYS 6 -8.011 0.797 3.883
62 HD2 LYS 6 HD2 LYS 6 -9.870 -0.716 3.830
63 HD3 LYS 6 HD1 LYS 6 -8.876 -2.033 4.461
64 HE2 LYS 6 HE2 LYS 6 -9.529 0.533 5.896
65 HE3 LYS 6 HE1 LYS 6 -10.306 -1.019 6.193
66 HZ1 LYS 6 HZ1 LYS 6 -8.561 -0.621 7.812
67 HZ2 LYS 6 HZ2 LYS 6 -7.408 -0.435 6.602
68 HZ3 LYS 6 HZ3 LYS 6 -8.149 -1.913 6.828
69 H LEU 7 HN LEU 7 -6.745 -0.021 -0.290
70 HA LEU 7 HA LEU 7 -5.413 -2.308 -1.277
71 HB2 LEU 7 HB2 LEU 7 -6.277 0.179 -2.760
72 HB3 LEU 7 HB1 LEU 7 -5.823 -1.333 -3.512
73 HG LEU 7 HG LEU 7 -8.231 -0.905 -1.740
74 HD11 LEU 7 HD11 LEU 7 -9.515 -1.218 -3.790
75 HD12 LEU 7 HD12 LEU 7 -8.018 -1.303 -4.716
76 HD13 LEU 7 HD13 LEU 7 -8.463 0.194 -3.893
77 HD21 LEU 7 HD21 LEU 7 -7.344 -3.335 -3.301
78 HD22 LEU 7 HD22 LEU 7 -8.884 -3.162 -2.460
79 HD23 LEU 7 HD23 LEU 7 -7.380 -3.182 -1.542
80 H ALA 8 HN ALA 8 -4.510 1.066 -1.022
81 HA ALA 8 HA ALA 8 -2.074 0.966 -2.426
82 HB1 ALA 8 HB1 ALA 8 -3.218 3.054 -1.888
83 HB2 ALA 8 HB2 ALA 8 -1.565 3.068 -1.262
84 HB3 ALA 8 HB3 ALA 8 -2.919 2.783 -0.173
85 H LEU 9 HN LEU 9 -2.877 0.548 0.986
86 HA LEU 9 HA LEU 9 -0.270 0.132 1.941
87 HB2 LEU 9 HB2 LEU 9 -2.890 -0.960 2.976
88 HB3 LEU 9 HB1 LEU 9 -1.380 -1.002 3.855
89 HG LEU 9 HG LEU 9 -2.884 1.489 3.063
90 HD11 LEU 9 HD11 LEU 9 -2.533 0.171 5.743
91 HD12 LEU 9 HD12 LEU 9 -4.022 0.246 4.803
92 HD13 LEU 9 HD13 LEU 9 -3.313 1.725 5.455
93 HD21 LEU 9 HD21 LEU 9 -0.481 1.887 3.124
94 HD22 LEU 9 HD22 LEU 9 -0.387 1.155 4.726
95 HD23 LEU 9 HD23 LEU 9 -1.274 2.662 4.494
96 H ARG 10 HN ARG 10 -2.691 -2.092 0.695
97 HA ARG 10 HA ARG 10 -1.262 -4.475 1.091
98 HB2 ARG 10 HB2 ARG 10 -3.356 -3.765 -0.953
99 HB3 ARG 10 HB1 ARG 10 -2.728 -5.392 -0.728
100 HG2 ARG 10 HG2 ARG 10 -3.566 -5.458 1.519
101 HG3 ARG 10 HG1 ARG 10 -4.082 -3.775 1.410
102 HD2 ARG 10 HD2 ARG 10 -5.963 -5.299 1.121
103 HD3 ARG 10 HD1 ARG 10 -5.668 -4.361 -0.336
104 HE ARG 10 HE ARG 10 -4.663 -6.292 -1.319
105 HH11 ARG 10 HH11 ARG 10 -6.527 -6.900 1.664
106 HH12 ARG 10 HH12 ARG 10 -6.935 -8.491 1.281
107 HH21 ARG 10 HH21 ARG 10 -5.281 -8.539 -1.877
108 HH22 ARG 10 HH22 ARG 10 -6.204 -9.460 -0.799
109 H LEU 11 HN LEU 11 -1.174 -2.149 -1.516
110 HA LEU 11 HA LEU 11 0.590 -3.682 -3.159
111 HB2 LEU 11 HB2 LEU 11 -0.769 -1.923 -4.140
112 HB3 LEU 11 HB1 LEU 11 0.000 -0.719 -3.125
113 HG LEU 11 HG LEU 11 2.132 -1.108 -4.310
114 HD11 LEU 11 HD11 LEU 11 2.142 -2.384 -6.406
115 HD12 LEU 11 HD12 LEU 11 0.507 -2.948 -6.057
116 HD13 LEU 11 HD13 LEU 11 1.840 -3.399 -4.999
117 HD21 LEU 11 HD21 LEU 11 0.664 0.682 -5.035
118 HD22 LEU 11 HD22 LEU 11 -0.204 -0.432 -6.092
119 HD23 LEU 11 HD23 LEU 11 1.485 -0.040 -6.419
120 H ALA 12 HN ALA 12 0.990 -1.155 -0.751
121 HA ALA 12 HA ALA 12 3.773 -0.816 -1.026
122 HB1 ALA 12 HB1 ALA 12 2.328 0.808 0.097
123 HB2 ALA 12 HB2 ALA 12 3.662 0.300 1.134
124 HB3 ALA 12 HB3 ALA 12 2.043 -0.350 1.396
125 H ALA 13 HN ALA 13 1.845 -3.113 0.715
126 HA ALA 13 HA ALA 13 3.892 -4.210 2.306
127 HB1 ALA 13 HB1 ALA 13 1.394 -5.541 1.249
128 HB2 ALA 13 HB2 ALA 13 1.514 -4.618 2.748
129 HB3 ALA 13 HB3 ALA 13 2.398 -6.134 2.574
130 H LYS 14 HN LYS 14 2.847 -4.767 -0.992
131 HA LYS 14 HA LYS 14 4.470 -7.078 -1.432
132 HB2 LYS 14 HB2 LYS 14 3.215 -5.162 -3.387
133 HB3 LYS 14 HB1 LYS 14 3.931 -6.712 -3.794
134 HG2 LYS 14 HG2 LYS 14 2.234 -7.821 -2.390
135 HG3 LYS 14 HG1 LYS 14 1.504 -6.246 -2.084
136 HD2 LYS 14 HD2 LYS 14 0.293 -7.338 -3.827
137 HD3 LYS 14 HD1 LYS 14 1.169 -5.976 -4.522
138 HE2 LYS 14 HE2 LYS 14 2.917 -7.480 -5.342
139 HE3 LYS 14 HE1 LYS 14 2.093 -8.851 -4.602
140 HZ1 LYS 14 HZ1 LYS 14 0.235 -8.455 -6.114
141 HZ2 LYS 14 HZ2 LYS 14 1.661 -8.728 -6.953
142 HZ3 LYS 14 HZ3 LYS 14 1.057 -7.166 -6.815
143 H ILE 15 HN ILE 15 4.809 -3.644 -1.811
144 HA ILE 15 HA ILE 15 7.189 -3.701 -3.323
145 HB ILE 15 HB ILE 15 6.105 -1.492 -1.533
146 HG12 ILE 15 HG12 ILE 15 5.915 -1.872 -4.534
147 HG13 ILE 15 HG11 ILE 15 4.608 -2.167 -3.398
148 HG21 ILE 15 HG21 ILE 15 8.232 -1.379 -3.685
149 HG22 ILE 15 HG22 ILE 15 8.511 -1.226 -1.952
150 HG23 ILE 15 HG23 ILE 15 7.584 0.010 -2.809
151 HD11 ILE 15 HD11 ILE 15 4.602 0.209 -2.809
152 HD12 ILE 15 HD12 ILE 15 4.336 -0.044 -4.531
153 HD13 ILE 15 HD13 ILE 15 5.915 0.489 -3.953
154 H ALA 16 HN ALA 16 8.894 -4.622 -2.660
155 HA ALA 16 HA ALA 16 9.592 -4.937 0.111
156 HB1 ALA 16 HB1 ALA 16 11.027 -5.740 -2.427
157 HB2 ALA 16 HB2 ALA 16 9.936 -6.760 -1.493
158 HB3 ALA 16 HB3 ALA 16 11.475 -6.250 -0.801
159 HA PRO 17 HA PRO 17 12.442 -1.512 0.602
160 HB2 PRO 17 HB2 PRO 17 14.725 -2.966 1.374
161 HB3 PRO 17 HB1 PRO 17 13.509 -2.309 2.469
162 HG2 PRO 17 HG2 PRO 17 13.793 -5.073 1.394
163 HG3 PRO 17 HG1 PRO 17 13.232 -4.541 2.988
164 HD2 PRO 17 HD2 PRO 17 11.506 -5.408 1.160
165 HD3 PRO 17 HD1 PRO 17 11.101 -4.028 2.200
166 H VAL 18 HN VAL 18 13.477 -0.482 -0.950
167 HA VAL 18 HA VAL 18 14.383 -1.884 -3.257
168 HB VAL 18 HB VAL 18 14.587 1.069 -2.587
169 HG11 VAL 18 HG11 VAL 18 16.175 0.380 -4.305
170 HG12 VAL 18 HG12 VAL 18 14.904 1.391 -4.987
171 HG13 VAL 18 HG13 VAL 18 14.868 -0.356 -5.230
172 HG21 VAL 18 HG21 VAL 18 12.549 -0.408 -4.255
173 HG22 VAL 18 HG22 VAL 18 12.614 1.337 -3.998
174 HG23 VAL 18 HG23 VAL 18 12.270 0.258 -2.647
175 H TRP 19 HN TRP 19 16.138 -3.004 -2.992
176 HA TRP 19 HA TRP 19 18.682 -1.908 -2.835
177 HB2 TRP 19 HB2 TRP 19 18.120 -1.740 -0.375
178 HB3 TRP 19 HB1 TRP 19 17.813 -3.471 -0.371
179 HD1 TRP 19 HD1 TRP 19 20.635 -0.929 -0.343
180 HE1 TRP 19 HE1 TRP 19 22.867 -2.145 0.113
181 HE3 TRP 19 HE3 TRP 19 19.044 -5.762 -0.744
182 HZ2 TRP 19 HZ2 TRP 19 23.817 -4.789 0.264
183 HZ3 TRP 19 HZ3 TRP 19 20.673 -7.572 -0.434
184 HH2 TRP 19 HH2 TRP 19 23.006 -7.090 0.057
Start of MODEL 9
1 H2 PRO 1 HT1 PRO 1 -12.920 -3.900 -2.850
2 H3 PRO 1 HT2 PRO 1 -14.003 -3.886 -1.606
3 HA PRO 1 HA PRO 1 -12.414 -2.951 -0.095
4 HB2 PRO 1 HB2 PRO 1 -10.631 -1.739 -1.789
5 HB3 PRO 1 HB1 PRO 1 -10.273 -3.186 -0.836
6 HG2 PRO 1 HG2 PRO 1 -11.138 -2.986 -3.700
7 HG3 PRO 1 HG1 PRO 1 -9.909 -4.043 -2.987
8 HD2 PRO 1 HD2 PRO 1 -12.253 -5.051 -3.604
9 HD3 PRO 1 HD1 PRO 1 -11.453 -5.481 -2.106
10 H MET 2 HN MET 2 -13.396 -1.044 0.309
11 HA MET 2 HA MET 2 -14.347 0.490 -1.990
12 HB2 MET 2 HB2 MET 2 -15.114 0.674 0.926
13 HB3 MET 2 HB1 MET 2 -15.696 1.764 -0.321
14 HG2 MET 2 HG2 MET 2 -16.728 -0.149 -1.471
15 HG3 MET 2 HG1 MET 2 -16.198 -1.193 -0.151
16 HE1 MET 2 HE1 MET 2 -18.693 -2.022 0.183
17 HE2 MET 2 HE2 MET 2 -19.219 -0.970 -1.132
18 HE3 MET 2 HE3 MET 2 -20.059 -0.931 0.417
19 H LYS 3 HN LYS 3 -12.545 0.769 1.017
20 HA LYS 3 HA LYS 3 -11.767 3.447 0.371
21 HB2 LYS 3 HB2 LYS 3 -10.864 1.635 2.621
22 HB3 LYS 3 HB1 LYS 3 -10.538 3.359 2.484
23 HG2 LYS 3 HG2 LYS 3 -12.970 3.792 2.574
24 HG3 LYS 3 HG1 LYS 3 -13.241 2.071 2.821
25 HD2 LYS 3 HD2 LYS 3 -13.334 3.186 4.946
26 HD3 LYS 3 HD1 LYS 3 -11.858 2.223 4.894
27 HE2 LYS 3 HE2 LYS 3 -10.546 4.203 4.388
28 HE3 LYS 3 HE1 LYS 3 -12.011 5.175 4.292
29 HZ1 LYS 3 HZ1 LYS 3 -12.383 4.783 6.627
30 HZ2 LYS 3 HZ2 LYS 3 -10.888 5.482 6.375
31 HZ3 LYS 3 HZ3 LYS 3 -10.988 3.827 6.740
32 H LYS 4 HN LYS 4 -10.206 3.888 -0.926
33 HA LYS 4 HA LYS 4 -8.667 1.911 -2.234
34 HB2 LYS 4 HB2 LYS 4 -8.280 4.894 -2.289
35 HB3 LYS 4 HB1 LYS 4 -7.646 3.744 -3.452
36 HG2 LYS 4 HG2 LYS 4 -10.547 4.409 -2.981
37 HG3 LYS 4 HG1 LYS 4 -9.554 4.927 -4.340
38 HD2 LYS 4 HD2 LYS 4 -9.296 2.562 -5.007
39 HD3 LYS 4 HD1 LYS 4 -10.355 2.093 -3.673
40 HE2 LYS 4 HE2 LYS 4 -12.131 3.510 -4.619
41 HE3 LYS 4 HE1 LYS 4 -11.066 3.901 -5.964
42 HZ1 LYS 4 HZ1 LYS 4 -11.047 1.574 -6.583
43 HZ2 LYS 4 HZ2 LYS 4 -12.618 2.169 -6.555
44 HZ3 LYS 4 HZ3 LYS 4 -12.065 1.190 -5.300
45 H LEU 5 HN LEU 5 -7.989 3.814 0.580
46 HA LEU 5 HA LEU 5 -5.176 3.729 0.321
47 HB2 LEU 5 HB2 LEU 5 -4.960 4.607 2.484
48 HB3 LEU 5 HB1 LEU 5 -6.438 5.296 1.871
49 HG LEU 5 HG LEU 5 -6.209 3.065 3.897
50 HD11 LEU 5 HD11 LEU 5 -5.543 5.217 4.768
51 HD12 LEU 5 HD12 LEU 5 -7.085 4.710 5.455
52 HD13 LEU 5 HD13 LEU 5 -7.044 5.935 4.187
53 HD21 LEU 5 HD21 LEU 5 -8.651 4.499 2.876
54 HD22 LEU 5 HD22 LEU 5 -8.610 3.341 4.204
55 HD23 LEU 5 HD23 LEU 5 -8.231 2.815 2.561
56 H LYS 6 HN LYS 6 -7.444 1.346 1.337
57 HA LYS 6 HA LYS 6 -5.655 -0.320 2.774
58 HB2 LYS 6 HB2 LYS 6 -8.099 -0.648 2.835
59 HB3 LYS 6 HB1 LYS 6 -8.087 -1.081 1.130
60 HG2 LYS 6 HG2 LYS 6 -6.686 -3.035 1.642
61 HG3 LYS 6 HG1 LYS 6 -6.732 -2.608 3.349
62 HD2 LYS 6 HD2 LYS 6 -9.124 -3.320 1.643
63 HD3 LYS 6 HD1 LYS 6 -8.332 -4.389 2.799
64 HE2 LYS 6 HE2 LYS 6 -9.765 -1.804 3.421
65 HE3 LYS 6 HE1 LYS 6 -10.333 -3.430 3.773
66 HZ1 LYS 6 HZ1 LYS 6 -7.940 -2.126 4.973
67 HZ2 LYS 6 HZ2 LYS 6 -8.435 -3.712 5.278
68 HZ3 LYS 6 HZ3 LYS 6 -9.414 -2.432 5.726
69 H LEU 7 HN LEU 7 -6.487 0.101 -0.581
70 HA LEU 7 HA LEU 7 -5.024 -2.050 -1.668
71 HB2 LEU 7 HB2 LEU 7 -5.716 0.620 -2.899
72 HB3 LEU 7 HB1 LEU 7 -5.156 -0.785 -3.778
73 HG LEU 7 HG LEU 7 -7.773 -0.609 -2.284
74 HD11 LEU 7 HD11 LEU 7 -8.775 -0.553 -4.510
75 HD12 LEU 7 HD12 LEU 7 -7.169 -0.495 -5.233
76 HD13 LEU 7 HD13 LEU 7 -7.735 0.844 -4.236
77 HD21 LEU 7 HD21 LEU 7 -8.287 -2.698 -3.458
78 HD22 LEU 7 HD22 LEU 7 -6.904 -2.881 -2.380
79 HD23 LEU 7 HD23 LEU 7 -6.654 -2.725 -4.121
80 H ALA 8 HN ALA 8 -4.300 1.335 -1.064
81 HA ALA 8 HA ALA 8 -1.707 1.458 -2.099
82 HB1 ALA 8 HB1 ALA 8 -3.005 3.430 -1.456
83 HB2 ALA 8 HB2 ALA 8 -1.419 3.428 -0.679
84 HB3 ALA 8 HB3 ALA 8 -2.853 2.976 0.241
85 H LEU 9 HN LEU 9 -2.806 0.670 1.170
86 HA LEU 9 HA LEU 9 -0.261 0.296 2.303
87 HB2 LEU 9 HB2 LEU 9 -2.886 -0.979 3.059
88 HB3 LEU 9 HB1 LEU 9 -1.431 -1.017 4.032
89 HG LEU 9 HG LEU 9 -3.009 1.456 3.334
90 HD11 LEU 9 HD11 LEU 9 -3.591 1.457 5.705
91 HD12 LEU 9 HD12 LEU 9 -2.735 -0.071 5.914
92 HD13 LEU 9 HD13 LEU 9 -4.171 0.004 4.892
93 HD21 LEU 9 HD21 LEU 9 -0.638 1.960 3.577
94 HD22 LEU 9 HD22 LEU 9 -0.591 1.075 5.099
95 HD23 LEU 9 HD23 LEU 9 -1.534 2.559 4.974
96 H ARG 10 HN ARG 10 -2.519 -2.013 0.847
97 HA ARG 10 HA ARG 10 -0.765 -4.197 1.346
98 HB2 ARG 10 HB2 ARG 10 -3.157 -4.097 -0.492
99 HB3 ARG 10 HB1 ARG 10 -2.304 -5.556 -0.011
100 HG2 ARG 10 HG2 ARG 10 -3.967 -3.734 1.720
101 HG3 ARG 10 HG1 ARG 10 -4.259 -5.427 1.329
102 HD2 ARG 10 HD2 ARG 10 -2.028 -4.319 3.040
103 HD3 ARG 10 HD1 ARG 10 -3.419 -5.238 3.597
104 HE ARG 10 HE ARG 10 -2.305 -6.937 1.877
105 HH11 ARG 10 HH11 ARG 10 -0.894 -5.083 4.542
106 HH12 ARG 10 HH12 ARG 10 0.355 -6.182 4.850
107 HH21 ARG 10 HH21 ARG 10 -0.562 -8.466 2.284
108 HH22 ARG 10 HH22 ARG 10 0.534 -8.166 3.546
109 H LEU 11 HN LEU 11 -1.076 -1.970 -1.253
110 HA LEU 11 HA LEU 11 0.395 -3.361 -3.215
111 HB2 LEU 11 HB2 LEU 11 -0.869 -1.364 -3.780
112 HB3 LEU 11 HB1 LEU 11 0.094 -0.401 -2.681
113 HG LEU 11 HG LEU 11 2.070 -0.775 -4.136
114 HD11 LEU 11 HD11 LEU 11 1.758 -1.644 -6.389
115 HD12 LEU 11 HD12 LEU 11 0.091 -2.060 -5.996
116 HD13 LEU 11 HD13 LEU 11 1.421 -2.868 -5.166
117 HD21 LEU 11 HD21 LEU 11 1.351 0.728 -5.932
118 HD22 LEU 11 HD22 LEU 11 0.740 1.248 -4.361
119 HD23 LEU 11 HD23 LEU 11 -0.332 0.430 -5.497
120 H ALA 12 HN ALA 12 1.342 -0.924 -0.832
121 HA ALA 12 HA ALA 12 4.107 -1.030 -1.378
122 HB1 ALA 12 HB1 ALA 12 3.017 0.883 -0.292
123 HB2 ALA 12 HB2 ALA 12 4.377 0.278 0.652
124 HB3 ALA 12 HB3 ALA 12 2.726 -0.107 1.139
125 H ALA 13 HN ALA 13 2.081 -3.075 0.407
126 HA ALA 13 HA ALA 13 4.164 -4.203 2.026
127 HB1 ALA 13 HB1 ALA 13 2.479 -5.796 2.756
128 HB2 ALA 13 HB2 ALA 13 1.380 -5.225 1.501
129 HB3 ALA 13 HB3 ALA 13 1.848 -4.151 2.818
130 H LYS 14 HN LYS 14 2.719 -4.919 -1.151
131 HA LYS 14 HA LYS 14 4.047 -7.486 -1.147
132 HB2 LYS 14 HB2 LYS 14 2.860 -7.901 -3.237
133 HB3 LYS 14 HB1 LYS 14 1.756 -7.367 -1.977
134 HG2 LYS 14 HG2 LYS 14 1.713 -5.134 -2.938
135 HG3 LYS 14 HG1 LYS 14 2.856 -5.646 -4.176
136 HD2 LYS 14 HD2 LYS 14 0.704 -5.696 -5.177
137 HD3 LYS 14 HD1 LYS 14 1.233 -7.351 -4.840
138 HE2 LYS 14 HE2 LYS 14 -0.209 -7.516 -2.936
139 HE3 LYS 14 HE1 LYS 14 -0.625 -5.806 -3.038
140 HZ1 LYS 14 HZ1 LYS 14 -1.346 -7.903 -5.028
141 HZ2 LYS 14 HZ2 LYS 14 -1.637 -6.269 -5.201
142 HZ3 LYS 14 HZ3 LYS 14 -2.418 -7.103 -3.992
143 H ILE 15 HN ILE 15 4.364 -4.283 -2.574
144 HA ILE 15 HA ILE 15 6.953 -4.993 -3.597
145 HB ILE 15 HB ILE 15 5.284 -5.590 -5.422
146 HG12 ILE 15 HG12 ILE 15 6.408 -4.326 -7.278
147 HG13 ILE 15 HG11 ILE 15 7.202 -3.334 -6.062
148 HG21 ILE 15 HG21 ILE 15 3.605 -3.903 -4.986
149 HG22 ILE 15 HG22 ILE 15 4.152 -3.826 -6.659
150 HG23 ILE 15 HG23 ILE 15 4.726 -2.637 -5.489
151 HD11 ILE 15 HD11 ILE 15 7.513 -6.311 -6.393
152 HD12 ILE 15 HD12 ILE 15 8.331 -5.318 -5.187
153 HD13 ILE 15 HD13 ILE 15 8.670 -5.082 -6.900
154 H ALA 16 HN ALA 16 8.000 -2.873 -4.373
155 HA ALA 16 HA ALA 16 7.237 -0.765 -2.595
156 HB1 ALA 16 HB1 ALA 16 9.210 0.394 -3.499
157 HB2 ALA 16 HB2 ALA 16 9.394 -0.878 -4.707
158 HB3 ALA 16 HB3 ALA 16 9.605 -1.250 -2.997
159 HA PRO 17 HA PRO 17 4.639 1.370 -5.576
160 HB2 PRO 17 HB2 PRO 17 5.557 3.826 -4.177
161 HB3 PRO 17 HB1 PRO 17 3.906 3.254 -4.447
162 HG2 PRO 17 HG2 PRO 17 5.020 3.116 -2.028
163 HG3 PRO 17 HG1 PRO 17 3.966 1.821 -2.626
164 HD2 PRO 17 HD2 PRO 17 6.951 1.908 -2.447
165 HD3 PRO 17 HD1 PRO 17 5.828 0.570 -2.106
166 H VAL 18 HN VAL 18 5.457 1.556 -7.537
167 HA VAL 18 HA VAL 18 8.144 2.558 -7.956
168 HB VAL 18 HB VAL 18 7.887 1.817 -10.286
169 HG11 VAL 18 HG11 VAL 18 7.030 -0.225 -8.240
170 HG12 VAL 18 HG12 VAL 18 8.687 0.230 -8.637
171 HG13 VAL 18 HG13 VAL 18 7.688 -0.597 -9.833
172 HG21 VAL 18 HG21 VAL 18 5.507 2.266 -10.600
173 HG22 VAL 18 HG22 VAL 18 5.096 0.994 -9.455
174 HG23 VAL 18 HG23 VAL 18 5.866 0.583 -10.986
175 H TRP 19 HN TRP 19 5.234 3.972 -7.765
176 HA TRP 19 HA TRP 19 6.132 6.195 -9.420
177 HB2 TRP 19 HB2 TRP 19 4.278 4.985 -10.558
178 HB3 TRP 19 HB1 TRP 19 3.282 5.179 -9.127
179 HD1 TRP 19 HD1 TRP 19 5.123 7.556 -11.606
180 HE1 TRP 19 HE1 TRP 19 3.570 9.560 -12.065
181 HE3 TRP 19 HE3 TRP 19 1.217 6.263 -8.581
182 HZ2 TRP 19 HZ2 TRP 19 1.013 10.461 -11.251
183 HZ3 TRP 19 HZ3 TRP 19 -0.745 7.737 -8.483
184 HH2 TRP 19 HH2 TRP 19 -0.843 9.793 -9.797
Start of MODEL 10
1 H2 PRO 1 HT1 PRO 1 -11.638 2.394 -5.027
2 H3 PRO 1 HT2 PRO 1 -13.265 2.624 -5.199
3 HA PRO 1 HA PRO 1 -13.793 1.152 -3.416
4 HB2 PRO 1 HB2 PRO 1 -11.440 1.438 -1.939
5 HB3 PRO 1 HB1 PRO 1 -12.046 -0.069 -2.638
6 HG2 PRO 1 HG2 PRO 1 -10.015 1.827 -3.713
7 HG3 PRO 1 HG1 PRO 1 -10.080 0.060 -3.828
8 HD2 PRO 1 HD2 PRO 1 -10.679 1.509 -5.946
9 HD3 PRO 1 HD1 PRO 1 -11.609 0.072 -5.520
10 H MET 2 HN MET 2 -13.814 2.223 -1.234
11 HA MET 2 HA MET 2 -13.864 5.080 -1.570
12 HB2 MET 2 HB2 MET 2 -14.554 3.308 0.787
13 HB3 MET 2 HB1 MET 2 -14.692 5.056 0.813
14 HG2 MET 2 HG2 MET 2 -16.849 4.089 0.449
15 HG3 MET 2 HG1 MET 2 -16.338 4.921 -1.016
16 HE1 MET 2 HE1 MET 2 -18.213 3.733 -2.413
17 HE2 MET 2 HE2 MET 2 -18.751 2.986 -0.911
18 HE3 MET 2 HE3 MET 2 -18.523 1.998 -2.352
19 H LYS 3 HN LYS 3 -12.385 2.864 0.782
20 HA LYS 3 HA LYS 3 -10.367 4.839 1.316
21 HB2 LYS 3 HB2 LYS 3 -10.638 2.017 2.398
22 HB3 LYS 3 HB1 LYS 3 -9.492 3.218 2.955
23 HG2 LYS 3 HG2 LYS 3 -12.492 3.377 3.218
24 HG3 LYS 3 HG1 LYS 3 -11.353 2.977 4.502
25 HD2 LYS 3 HD2 LYS 3 -10.330 5.226 4.203
26 HD3 LYS 3 HD1 LYS 3 -11.586 5.586 3.018
27 HE2 LYS 3 HE2 LYS 3 -13.304 5.207 4.726
28 HE3 LYS 3 HE1 LYS 3 -12.035 4.870 5.899
29 HZ1 LYS 3 HZ1 LYS 3 -12.810 7.130 6.117
30 HZ2 LYS 3 HZ2 LYS 3 -12.480 7.450 4.511
31 HZ3 LYS 3 HZ3 LYS 3 -11.214 7.134 5.582
32 H LYS 4 HN LYS 4 -9.183 4.964 -0.553
33 HA LYS 4 HA LYS 4 -8.406 2.635 -2.019
34 HB2 LYS 4 HB2 LYS 4 -7.099 3.997 -3.478
35 HB3 LYS 4 HB1 LYS 4 -8.502 4.960 -3.069
36 HG2 LYS 4 HG2 LYS 4 -5.853 5.275 -1.664
37 HG3 LYS 4 HG1 LYS 4 -6.239 6.132 -3.148
38 HD2 LYS 4 HD2 LYS 4 -7.933 6.285 -0.670
39 HD3 LYS 4 HD1 LYS 4 -6.595 7.394 -0.972
40 HE2 LYS 4 HE2 LYS 4 -9.004 7.001 -2.759
41 HE3 LYS 4 HE1 LYS 4 -8.767 8.330 -1.629
42 HZ1 LYS 4 HZ1 LYS 4 -8.169 9.023 -3.847
43 HZ2 LYS 4 HZ2 LYS 4 -7.093 7.755 -4.026
44 HZ3 LYS 4 HZ3 LYS 4 -6.764 8.968 -2.931
45 H LEU 5 HN LEU 5 -7.125 4.318 0.669
46 HA LEU 5 HA LEU 5 -4.449 3.502 0.487
47 HB2 LEU 5 HB2 LEU 5 -6.067 4.240 2.914
48 HB3 LEU 5 HB1 LEU 5 -4.331 4.024 2.905
49 HG LEU 5 HG LEU 5 -5.863 6.152 1.410
50 HD11 LEU 5 HD11 LEU 5 -4.027 6.324 3.785
51 HD12 LEU 5 HD12 LEU 5 -5.778 6.531 3.801
52 HD13 LEU 5 HD13 LEU 5 -4.761 7.688 2.944
53 HD21 LEU 5 HD21 LEU 5 -2.891 5.632 1.566
54 HD22 LEU 5 HD22 LEU 5 -3.638 7.067 0.869
55 HD23 LEU 5 HD23 LEU 5 -3.903 5.493 0.128
56 H LYS 6 HN LYS 6 -7.280 1.829 1.469
57 HA LYS 6 HA LYS 6 -6.052 -0.175 3.049
58 HB2 LYS 6 HB2 LYS 6 -8.469 0.219 3.111
59 HB3 LYS 6 HB1 LYS 6 -8.612 -0.247 1.428
60 HG2 LYS 6 HG2 LYS 6 -9.384 -2.042 2.841
61 HG3 LYS 6 HG1 LYS 6 -7.899 -2.533 2.027
62 HD2 LYS 6 HD2 LYS 6 -6.620 -2.036 4.056
63 HD3 LYS 6 HD1 LYS 6 -8.093 -1.520 4.872
64 HE2 LYS 6 HE2 LYS 6 -7.469 -4.285 3.839
65 HE3 LYS 6 HE1 LYS 6 -7.513 -3.782 5.524
66 HZ1 LYS 6 HZ1 LYS 6 -9.896 -3.291 5.239
67 HZ2 LYS 6 HZ2 LYS 6 -9.550 -4.906 4.976
68 HZ3 LYS 6 HZ3 LYS 6 -9.842 -3.896 3.665
69 H LEU 7 HN LEU 7 -6.646 0.181 -0.386
70 HA LEU 7 HA LEU 7 -5.589 -2.452 -0.941
71 HB2 LEU 7 HB2 LEU 7 -6.584 -0.288 -2.805
72 HB3 LEU 7 HB1 LEU 7 -5.975 -1.836 -3.344
73 HG LEU 7 HG LEU 7 -7.852 -2.904 -2.017
74 HD11 LEU 7 HD11 LEU 7 -8.447 -1.104 -0.557
75 HD12 LEU 7 HD12 LEU 7 -9.833 -1.546 -1.557
76 HD13 LEU 7 HD13 LEU 7 -8.903 -0.093 -1.925
77 HD21 LEU 7 HD21 LEU 7 -8.500 -1.135 -4.363
78 HD22 LEU 7 HD22 LEU 7 -9.552 -2.407 -3.750
79 HD23 LEU 7 HD23 LEU 7 -7.967 -2.819 -4.398
80 H ALA 8 HN ALA 8 -4.680 0.900 -1.227
81 HA ALA 8 HA ALA 8 -2.286 0.540 -2.638
82 HB1 ALA 8 HB1 ALA 8 -1.720 2.777 -1.930
83 HB2 ALA 8 HB2 ALA 8 -2.909 2.704 -0.638
84 HB3 ALA 8 HB3 ALA 8 -3.440 2.717 -2.322
85 H LEU 9 HN LEU 9 -3.060 0.250 0.775
86 HA LEU 9 HA LEU 9 -0.398 0.130 1.706
87 HB2 LEU 9 HB2 LEU 9 -2.357 0.581 3.154
88 HB3 LEU 9 HB1 LEU 9 -2.896 -1.065 2.915
89 HG LEU 9 HG LEU 9 -0.862 -1.876 4.056
90 HD11 LEU 9 HD11 LEU 9 0.634 -0.025 3.584
91 HD12 LEU 9 HD12 LEU 9 0.518 -0.299 5.321
92 HD13 LEU 9 HD13 LEU 9 -0.349 1.046 4.581
93 HD21 LEU 9 HD21 LEU 9 -2.507 0.101 5.630
94 HD22 LEU 9 HD22 LEU 9 -1.534 -1.203 6.311
95 HD23 LEU 9 HD23 LEU 9 -2.931 -1.581 5.304
96 H ARG 10 HN ARG 10 -2.533 -2.177 0.251
97 HA ARG 10 HA ARG 10 -1.069 -4.511 0.996
98 HB2 ARG 10 HB2 ARG 10 -2.839 -4.122 -1.413
99 HB3 ARG 10 HB1 ARG 10 -2.321 -5.665 -0.750
100 HG2 ARG 10 HG2 ARG 10 -3.558 -5.117 1.329
101 HG3 ARG 10 HG1 ARG 10 -4.159 -3.663 0.535
102 HD2 ARG 10 HD2 ARG 10 -4.646 -6.522 -0.275
103 HD3 ARG 10 HD1 ARG 10 -5.825 -5.372 0.348
104 HE ARG 10 HE ARG 10 -4.504 -4.542 -2.052
105 HH11 ARG 10 HH11 ARG 10 -7.279 -6.334 -0.764
106 HH12 ARG 10 HH12 ARG 10 -8.205 -6.206 -2.184
107 HH21 ARG 10 HH21 ARG 10 -5.771 -4.414 -4.039
108 HH22 ARG 10 HH22 ARG 10 -7.309 -5.122 -4.108
109 H LEU 11 HN LEU 11 -1.080 -2.327 -1.744
110 HA LEU 11 HA LEU 11 0.894 -3.634 -3.276
111 HB2 LEU 11 HB2 LEU 11 -0.589 -1.876 -4.182
112 HB3 LEU 11 HB1 LEU 11 0.193 -0.698 -3.157
113 HG LEU 11 HG LEU 11 2.306 -1.028 -4.389
114 HD11 LEU 11 HD11 LEU 11 0.666 -2.823 -6.171
115 HD12 LEU 11 HD12 LEU 11 2.005 -3.316 -5.133
116 HD13 LEU 11 HD13 LEU 11 2.301 -2.254 -6.506
117 HD21 LEU 11 HD21 LEU 11 1.608 0.093 -6.452
118 HD22 LEU 11 HD22 LEU 11 0.785 0.759 -5.042
119 HD23 LEU 11 HD23 LEU 11 -0.067 -0.347 -6.122
120 H ALA 12 HN ALA 12 1.043 -1.057 -0.878
121 HA ALA 12 HA ALA 12 3.837 -0.662 -0.955
122 HB1 ALA 12 HB1 ALA 12 3.547 0.578 1.118
123 HB2 ALA 12 HB2 ALA 12 1.931 -0.102 1.316
124 HB3 ALA 12 HB3 ALA 12 2.272 0.986 -0.030
125 H ALA 13 HN ALA 13 1.947 -3.130 0.463
126 HA ALA 13 HA ALA 13 3.959 -3.983 2.342
127 HB1 ALA 13 HB1 ALA 13 2.490 -5.920 2.687
128 HB2 ALA 13 HB2 ALA 13 1.494 -5.406 1.329
129 HB3 ALA 13 HB3 ALA 13 1.577 -4.412 2.781
130 H LYS 14 HN LYS 14 2.796 -4.854 -0.849
131 HA LYS 14 HA LYS 14 4.505 -7.099 -1.182
132 HB2 LYS 14 HB2 LYS 14 2.960 -5.465 -3.197
133 HB3 LYS 14 HB1 LYS 14 3.808 -6.958 -3.568
134 HG2 LYS 14 HG2 LYS 14 1.503 -6.666 -1.650
135 HG3 LYS 14 HG1 LYS 14 1.428 -7.354 -3.276
136 HD2 LYS 14 HD2 LYS 14 3.030 -9.087 -2.591
137 HD3 LYS 14 HD1 LYS 14 3.050 -8.410 -0.969
138 HE2 LYS 14 HE2 LYS 14 0.691 -8.887 -0.701
139 HE3 LYS 14 HE1 LYS 14 0.622 -9.523 -2.345
140 HZ1 LYS 14 HZ1 LYS 14 0.840 -11.289 -0.685
141 HZ2 LYS 14 HZ2 LYS 14 2.302 -10.632 -0.165
142 HZ3 LYS 14 HZ3 LYS 14 2.181 -11.260 -1.698
143 H ILE 15 HN ILE 15 4.728 -3.708 -2.029
144 HA ILE 15 HA ILE 15 7.235 -4.123 -3.369
145 HB ILE 15 HB ILE 15 5.958 -1.515 -2.464
146 HG12 ILE 15 HG12 ILE 15 4.552 -2.644 -4.120
147 HG13 ILE 15 HG11 ILE 15 5.297 -1.220 -4.829
148 HG21 ILE 15 HG21 ILE 15 7.499 -0.413 -4.036
149 HG22 ILE 15 HG22 ILE 15 8.251 -1.970 -4.379
150 HG23 ILE 15 HG23 ILE 15 8.367 -1.274 -2.762
151 HD11 ILE 15 HD11 ILE 15 5.286 -3.067 -6.395
152 HD12 ILE 15 HD12 ILE 15 6.154 -4.082 -5.247
153 HD13 ILE 15 HD13 ILE 15 6.944 -2.667 -5.947
154 H ALA 16 HN ALA 16 8.582 -5.037 -1.995
155 HA ALA 16 HA ALA 16 9.000 -3.948 0.648
156 HB1 ALA 16 HB1 ALA 16 10.440 -6.202 -0.760
157 HB2 ALA 16 HB2 ALA 16 9.021 -6.399 0.265
158 HB3 ALA 16 HB3 ALA 16 10.534 -5.812 0.956
159 HA PRO 17 HA PRO 17 12.435 -1.281 -0.305
160 HB2 PRO 17 HB2 PRO 17 13.880 -2.642 1.921
161 HB3 PRO 17 HB1 PRO 17 13.574 -0.915 1.687
162 HG2 PRO 17 HG2 PRO 17 12.211 -2.257 3.506
163 HG3 PRO 17 HG1 PRO 17 11.379 -1.084 2.469
164 HD2 PRO 17 HD2 PRO 17 11.427 -4.071 2.282
165 HD3 PRO 17 HD1 PRO 17 10.067 -2.946 2.076
166 H VAL 18 HN VAL 18 12.849 -4.678 0.016
167 HA VAL 18 HA VAL 18 15.373 -4.635 -1.436
168 HB VAL 18 HB VAL 18 15.506 -7.064 -0.940
169 HG11 VAL 18 HG11 VAL 18 15.916 -6.849 1.455
170 HG12 VAL 18 HG12 VAL 18 15.013 -5.335 1.474
171 HG13 VAL 18 HG13 VAL 18 16.523 -5.448 0.570
172 HG21 VAL 18 HG21 VAL 18 13.099 -7.562 -0.802
173 HG22 VAL 18 HG22 VAL 18 12.987 -6.606 0.676
174 HG23 VAL 18 HG23 VAL 18 13.944 -8.088 0.654
175 H TRP 19 HN TRP 19 15.645 -5.780 -3.358
176 HA TRP 19 HA TRP 19 15.191 -6.310 -5.443
177 HB2 TRP 19 HB2 TRP 19 12.709 -7.645 -4.306
178 HB3 TRP 19 HB1 TRP 19 13.443 -7.942 -5.881
179 HD1 TRP 19 HD1 TRP 19 13.526 -9.103 -2.353
180 HE1 TRP 19 HE1 TRP 19 15.409 -10.837 -2.023
181 HE3 TRP 19 HE3 TRP 19 15.998 -8.461 -6.775
182 HZ2 TRP 19 HZ2 TRP 19 17.643 -11.794 -3.452
183 HZ3 TRP 19 HZ3 TRP 19 17.999 -9.822 -7.212
184 HH2 TRP 19 HH2 TRP 19 18.799 -11.450 -5.583