Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
601201 | 2n65 RC | 25751 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 1.424 -0.268 -2.046
3 HB VAL 1 HB VAL 1 3.368 1.648 -0.749
4 HG11 VAL 1 1HG1 VAL 1 3.108 0.550 -3.461
5 HG12 VAL 1 2HG1 VAL 1 3.287 2.303 -3.379
6 HG13 VAL 1 3HG1 VAL 1 4.505 1.256 -2.649
7 HG21 VAL 1 3HG2 VAL 1 2.006 3.408 -1.773
8 HG22 VAL 1 1HG2 VAL 1 0.871 2.190 -2.354
9 HG23 VAL 1 2HG2 VAL 1 1.069 2.456 -0.622
10 H ALA 2 H ALA 2 2.973 -1.453 -3.121
11 HA ALA 2 HA ALA 2 4.293 -3.481 -1.764
12 HB1 ALA 2 1HB ALA 2 5.696 -3.005 -4.181
13 HB2 ALA 2 2HB ALA 2 4.471 -4.229 -3.843
14 HB3 ALA 2 3HB ALA 2 3.992 -2.649 -4.463
15 H ARG 3 H ARG 3 6.120 -1.095 -3.656
16 HA ARG 3 HA ARG 3 8.068 -0.966 -1.447
17 HB2 ARG 3 2HB ARG 3 8.575 -0.917 -4.427
18 HB3 ARG 3 3HB ARG 3 9.802 -0.602 -3.206
19 HG2 ARG 3 2HG ARG 3 10.162 -2.819 -3.720
20 HG3 ARG 3 3HG ARG 3 9.139 -2.927 -2.287
21 HD2 ARG 3 2HD ARG 3 7.389 -3.778 -3.438
22 HD3 ARG 3 3HD ARG 3 7.727 -2.810 -4.872
23 HE ARG 3 HE ARG 3 9.729 -4.557 -4.961
24 HH11 ARG 3 1HH1 ARG 3 6.335 -5.037 -4.351
25 HH12 ARG 3 2HH1 ARG 3 6.307 -6.634 -5.022
26 HH21 ARG 3 1HH2 ARG 3 9.704 -6.659 -5.847
27 HH22 ARG 3 2HH2 ARG 3 8.224 -7.556 -5.872
28 H GLY 4 H GLY 4 9.234 0.960 -3.775
29 HA2 GLY 4 2HA GLY 4 7.684 3.316 -2.903
30 HA3 GLY 4 3HA GLY 4 9.442 3.325 -2.875
31 H TRP 5 H TRP 5 6.598 3.516 -4.853
32 HA TRP 5 HA TRP 5 7.800 3.379 -7.391
33 HB2 TRP 5 2HB TRP 5 5.405 5.098 -6.782
34 HB3 TRP 5 3HB TRP 5 5.767 4.200 -8.254
35 HD1 TRP 5 HD1 TRP 5 3.114 3.983 -6.212
36 HE1 TRP 5 HE1 TRP 5 2.407 1.607 -5.519
37 HE3 TRP 5 HE3 TRP 5 7.474 1.513 -7.224
38 HZ2 TRP 5 HZ2 TRP 5 3.548 -0.973 -5.415
39 HZ3 TRP 5 HZ3 TRP 5 7.584 -0.908 -6.798
40 HH2 TRP 5 HH2 TRP 5 5.660 -2.123 -5.912
41 H LYS 6 H LYS 6 9.676 4.576 -7.503
42 HA LYS 6 HA LYS 6 9.355 7.499 -7.300
43 HB2 LYS 6 2HB LYS 6 11.866 5.857 -6.917
44 HB3 LYS 6 3HB LYS 6 11.771 7.612 -6.835
45 HG2 LYS 6 2HG LYS 6 10.978 7.594 -4.745
46 HG3 LYS 6 3HG LYS 6 9.903 6.229 -5.059
47 HD2 LYS 6 2HD LYS 6 11.440 5.405 -3.499
48 HD3 LYS 6 3HD LYS 6 12.028 4.797 -5.049
49 HE2 LYS 6 2HE LYS 6 13.831 6.228 -5.077
50 HE3 LYS 6 3HE LYS 6 13.044 7.410 -4.032
51 HZ1 LYS 6 3HZ LYS 6 14.645 6.438 -2.686
52 HZ2 LYS 6 1HZ LYS 6 14.363 4.879 -3.280
53 HZ3 LYS 6 2HZ LYS 6 13.235 5.609 -2.252
54 H ARG 7 H ARG 7 12.341 6.836 -8.498
55 HA ARG 7 HA ARG 7 11.592 7.664 -11.155
56 HB2 ARG 7 2HB ARG 7 14.214 7.139 -9.779
57 HB3 ARG 7 3HB ARG 7 14.136 7.416 -11.514
58 HG2 ARG 7 2HG ARG 7 14.185 9.593 -11.142
59 HG3 ARG 7 3HG ARG 7 12.640 9.468 -10.299
60 HD2 ARG 7 2HD ARG 7 13.885 10.350 -8.614
61 HD3 ARG 7 3HD ARG 7 14.220 8.642 -8.332
62 HE ARG 7 HE ARG 7 16.122 9.715 -10.120
63 HH11 ARG 7 1HH1 ARG 7 15.206 9.777 -6.762
64 HH12 ARG 7 2HH1 ARG 7 16.809 10.112 -6.196
65 HH21 ARG 7 1HH2 ARG 7 18.237 10.156 -9.388
66 HH22 ARG 7 2HH2 ARG 7 18.532 10.328 -7.691
67 H LYS 8 H LYS 8 14.044 5.227 -10.462
68 HA LYS 8 HA LYS 8 13.370 3.685 -12.739
69 HB2 LYS 8 2HB LYS 8 15.248 3.404 -10.447
70 HB3 LYS 8 3HB LYS 8 14.862 1.953 -11.363
71 HG2 LYS 8 2HG LYS 8 16.774 2.756 -12.395
72 HG3 LYS 8 3HG LYS 8 15.473 3.341 -13.434
73 HD2 LYS 8 2HD LYS 8 16.903 5.184 -13.163
74 HD3 LYS 8 3HD LYS 8 15.564 5.486 -12.052
75 HE2 LYS 8 2HE LYS 8 17.315 4.058 -10.501
76 HE3 LYS 8 3HE LYS 8 18.398 5.020 -11.505
77 HZ1 LYS 8 3HZ LYS 8 16.632 6.868 -10.797
78 HZ2 LYS 8 1HZ LYS 8 18.029 6.537 -9.903
79 HZ3 LYS 8 2HZ LYS 8 16.548 5.870 -9.433
80 H CYS 9 H CYS 9 11.089 3.340 -12.399
81 HA CYS 9 HA CYS 9 9.761 2.191 -10.352
82 HB2 CYS 9 2HB CYS 9 8.470 0.890 -12.217
83 HB3 CYS 9 3HB CYS 9 8.421 2.650 -12.188
84 HA PRO 10 HA PRO 10 12.242 -1.554 -9.852
85 HB2 PRO 10 2HB PRO 10 11.314 -2.089 -7.357
86 HB3 PRO 10 3HB PRO 10 12.592 -0.910 -7.675
87 HG2 PRO 10 2HG PRO 10 9.672 -0.456 -7.200
88 HG3 PRO 10 3HG PRO 10 11.062 0.441 -6.562
89 HD2 PRO 10 2HD PRO 10 9.589 1.331 -8.653
90 HD3 PRO 10 3HD PRO 10 11.328 1.657 -8.502
91 H LEU 11 H LEU 11 8.910 -1.405 -8.567
92 HA LEU 11 HA LEU 11 8.455 -4.122 -9.558
93 HB2 LEU 11 2HB LEU 11 7.934 -3.374 -7.168
94 HB3 LEU 11 3HB LEU 11 6.569 -2.507 -7.869
95 HG LEU 11 HG LEU 11 5.999 -4.720 -6.869
96 HD11 LEU 11 1HD1 LEU 11 5.333 -5.177 -9.666
97 HD12 LEU 11 2HD1 LEU 11 5.051 -3.516 -9.147
98 HD13 LEU 11 3HD1 LEU 11 4.283 -4.850 -8.286
99 HD21 LEU 11 3HD2 LEU 11 8.253 -5.614 -8.106
100 HD22 LEU 11 1HD2 LEU 11 6.995 -6.185 -9.203
101 HD23 LEU 11 2HD2 LEU 11 6.957 -6.646 -7.501
102 H PHE 12 H PHE 12 6.460 -1.174 -9.313
103 HA PHE 12 HA PHE 12 4.725 -1.904 -11.407
104 HB2 PHE 12 2HB PHE 12 3.756 0.237 -11.170
105 HB3 PHE 12 3HB PHE 12 4.336 -0.178 -9.560
106 HD1 PHE 12 HD1 PHE 12 6.997 0.526 -9.336
107 HD2 PHE 12 HD2 PHE 12 4.023 2.440 -11.704
108 HE1 PHE 12 HE1 PHE 12 8.290 2.618 -9.261
109 HE2 PHE 12 HE2 PHE 12 5.311 4.535 -11.634
110 HZ PHE 12 HZ PHE 12 7.448 4.626 -10.413
111 H GLY 13 H GLY 13 6.345 -2.582 -13.003
112 HA2 GLY 13 2HA GLY 13 7.259 -0.275 -14.606
113 HA3 GLY 13 3HA GLY 13 8.259 -1.703 -14.386
114 H LYS 14 H LYS 14 8.138 -3.244 -15.882
115 HA LYS 14 HA LYS 14 6.821 -2.999 -18.270
116 HB2 LYS 14 2HB LYS 14 7.826 -5.411 -16.787
117 HB3 LYS 14 3HB LYS 14 7.032 -5.585 -18.347
118 HG2 LYS 14 2HG LYS 14 8.865 -4.975 -19.436
119 HG3 LYS 14 3HG LYS 14 9.064 -3.537 -18.432
120 HD2 LYS 14 2HD LYS 14 9.894 -5.291 -16.656
121 HD3 LYS 14 3HD LYS 14 10.206 -6.270 -18.091
122 HE2 LYS 14 2HE LYS 14 11.469 -4.284 -19.012
123 HE3 LYS 14 3HE LYS 14 11.341 -3.567 -17.407
124 HZ1 LYS 14 3HZ LYS 14 12.439 -6.281 -17.711
125 HZ2 LYS 14 1HZ LYS 14 12.729 -5.139 -16.497
126 HZ3 LYS 14 2HZ LYS 14 13.422 -4.941 -18.027
127 H GLY 15 H GLY 15 5.522 -4.014 -15.239
128 HA2 GLY 15 2HA GLY 15 3.417 -5.629 -15.781
129 HA3 GLY 15 3HA GLY 15 3.307 -4.298 -14.639
130 H GLY 16 H GLY 16 3.717 -2.276 -16.745
131 HA2 GLY 16 2HA GLY 16 0.947 -2.069 -17.549
132 HA3 GLY 16 3HA GLY 16 2.201 -0.863 -17.796
133 H1 VAL 1 H VAL 1 7.745 -1.822 -29.413
134 HA VAL 1 HA VAL 1 7.422 -1.831 -26.521
135 HB VAL 1 HB VAL 1 9.833 -1.656 -26.744
136 HG11 VAL 1 1HG1 VAL 1 9.934 -0.806 -29.028
137 HG12 VAL 1 2HG1 VAL 1 9.291 0.746 -28.487
138 HG13 VAL 1 3HG1 VAL 1 10.877 0.207 -27.935
139 HG21 VAL 1 3HG2 VAL 1 9.239 1.161 -26.146
140 HG22 VAL 1 1HG2 VAL 1 8.260 -0.016 -25.271
141 HG23 VAL 1 2HG2 VAL 1 10.019 -0.071 -25.154
142 H ALA 2 H ALA 2 6.373 -0.018 -25.719
143 HA ALA 2 HA ALA 2 4.779 1.424 -27.607
144 HB1 ALA 2 1HB ALA 2 4.692 2.521 -24.939
145 HB2 ALA 2 2HB ALA 2 3.428 1.712 -25.866
146 HB3 ALA 2 3HB ALA 2 4.567 0.762 -24.912
147 H ARG 3 H ARG 3 6.833 2.690 -24.978
148 HA ARG 3 HA ARG 3 7.596 4.898 -26.777
149 HB2 ARG 3 2HB ARG 3 7.229 5.000 -23.776
150 HB3 ARG 3 3HB ARG 3 7.744 6.339 -24.793
151 HG2 ARG 3 2HG ARG 3 5.069 4.961 -24.854
152 HG3 ARG 3 3HG ARG 3 5.414 6.580 -24.243
153 HD2 ARG 3 2HD ARG 3 6.308 7.038 -26.620
154 HD3 ARG 3 3HD ARG 3 5.412 5.588 -27.071
155 HE ARG 3 HE ARG 3 3.453 6.760 -26.842
156 HH11 ARG 3 1HH1 ARG 3 6.060 8.567 -25.406
157 HH12 ARG 3 2HH1 ARG 3 5.111 9.997 -25.169
158 HH21 ARG 3 1HH2 ARG 3 2.194 8.638 -26.536
159 HH22 ARG 3 2HH2 ARG 3 2.913 10.036 -25.812
160 H GLY 4 H GLY 4 9.126 5.353 -23.921
161 HA2 GLY 4 2HA GLY 4 11.448 3.700 -24.691
162 HA3 GLY 4 3HA GLY 4 11.632 5.408 -24.320
163 H TRP 5 H TRP 5 10.762 2.269 -22.976
164 HA TRP 5 HA TRP 5 10.369 2.948 -20.326
165 HB2 TRP 5 2HB TRP 5 11.871 0.469 -21.149
166 HB3 TRP 5 3HB TRP 5 10.768 0.678 -19.792
167 HD1 TRP 5 HD1 TRP 5 10.596 -1.459 -22.367
168 HE1 TRP 5 HE1 TRP 5 8.322 -1.615 -23.564
169 HE3 TRP 5 HE3 TRP 5 8.567 2.978 -20.839
170 HZ2 TRP 5 HZ2 TRP 5 5.980 -0.063 -23.826
171 HZ3 TRP 5 HZ3 TRP 5 6.305 3.568 -21.608
172 HH2 TRP 5 HH2 TRP 5 5.040 2.078 -23.071
173 H LYS 6 H LYS 6 11.692 4.465 -19.443
174 HA LYS 6 HA LYS 6 14.545 3.757 -19.221
175 HB2 LYS 6 2HB LYS 6 13.310 6.515 -19.319
176 HB3 LYS 6 3HB LYS 6 15.014 6.181 -19.044
177 HG2 LYS 6 2HG LYS 6 15.424 5.861 -21.217
178 HG3 LYS 6 3HG LYS 6 13.942 4.935 -21.460
179 HD2 LYS 6 2HD LYS 6 13.730 6.900 -22.770
180 HD3 LYS 6 3HD LYS 6 12.696 7.128 -21.357
181 HE2 LYS 6 2HE LYS 6 14.406 8.492 -20.301
182 HE3 LYS 6 3HE LYS 6 15.497 8.212 -21.657
183 HZ1 LYS 6 3HZ LYS 6 13.011 9.808 -21.601
184 HZ2 LYS 6 1HZ LYS 6 13.666 9.252 -23.059
185 HZ3 LYS 6 2HZ LYS 6 14.564 10.289 -22.069
186 H ARG 7 H ARG 7 13.921 6.503 -17.497
187 HA ARG 7 HA ARG 7 14.026 5.058 -14.985
188 HB2 ARG 7 2HB ARG 7 14.218 7.986 -15.686
189 HB3 ARG 7 3HB ARG 7 14.220 7.400 -14.028
190 HG2 ARG 7 2HG ARG 7 16.461 7.565 -14.416
191 HG3 ARG 7 3HG ARG 7 16.180 5.890 -14.896
192 HD2 ARG 7 2HD ARG 7 16.921 6.330 -16.941
193 HD3 ARG 7 3HD ARG 7 15.687 7.573 -17.138
194 HE ARG 7 HE ARG 7 17.868 8.550 -15.614
195 HH11 ARG 7 1HH1 ARG 7 16.912 7.757 -18.866
196 HH12 ARG 7 2HH1 ARG 7 18.004 8.883 -19.602
197 HH21 ARG 7 1HH2 ARG 7 19.310 10.037 -16.571
198 HH22 ARG 7 2HH2 ARG 7 19.368 10.179 -18.295
199 H LYS 8 H LYS 8 12.261 8.059 -15.593
200 HA LYS 8 HA LYS 8 10.159 7.399 -13.838
201 HB2 LYS 8 2HB LYS 8 10.627 9.538 -15.870
202 HB3 LYS 8 3HB LYS 8 9.003 9.331 -15.226
203 HG2 LYS 8 2HG LYS 8 10.039 10.987 -13.909
204 HG3 LYS 8 3HG LYS 8 10.012 9.521 -12.927
205 HD2 LYS 8 2HD LYS 8 12.252 9.378 -12.871
206 HD3 LYS 8 3HD LYS 8 12.415 9.811 -14.575
207 HE2 LYS 8 2HE LYS 8 13.461 11.505 -13.213
208 HE3 LYS 8 3HE LYS 8 12.020 12.174 -13.976
209 HZ1 LYS 8 3HZ LYS 8 11.103 12.571 -12.006
210 HZ2 LYS 8 1HZ LYS 8 12.617 12.258 -11.318
211 HZ3 LYS 8 2HZ LYS 8 11.463 11.026 -11.418
212 H CYS 9 H CYS 9 9.558 5.271 -14.581
213 HA CYS 9 HA CYS 9 8.705 4.403 -16.980
214 HB2 CYS 9 2HB CYS 9 7.265 3.958 -14.356
215 HB3 CYS 9 3HB CYS 9 7.051 2.981 -15.805
216 HA PRO 10 HA PRO 10 5.621 7.602 -17.859
217 HB2 PRO 10 2HB PRO 10 5.601 7.140 -20.534
218 HB3 PRO 10 3HB PRO 10 6.833 8.127 -19.738
219 HG2 PRO 10 2HG PRO 10 6.970 5.266 -20.610
220 HG3 PRO 10 3HG PRO 10 8.187 6.545 -20.774
221 HD2 PRO 10 2HD PRO 10 8.306 4.662 -18.832
222 HD3 PRO 10 3HD PRO 10 8.904 6.316 -18.595
223 H LEU 11 H LEU 11 5.617 4.492 -19.619
224 HA LEU 11 HA LEU 11 2.702 4.379 -19.264
225 HB2 LEU 11 2HB LEU 11 3.767 4.276 -21.574
226 HB3 LEU 11 3HB LEU 11 4.341 2.673 -21.118
227 HG LEU 11 HG LEU 11 2.269 2.708 -22.525
228 HD11 LEU 11 1HD1 LEU 11 1.754 0.728 -21.645
229 HD12 LEU 11 2HD1 LEU 11 1.288 1.441 -20.101
230 HD13 LEU 11 3HD1 LEU 11 2.982 1.071 -20.427
231 HD21 LEU 11 3HD2 LEU 11 0.377 3.740 -21.900
232 HD22 LEU 11 1HD2 LEU 11 1.441 4.696 -20.868
233 HD23 LEU 11 2HD2 LEU 11 0.581 3.308 -20.202
234 H PHE 12 H PHE 12 5.373 2.024 -19.519
235 HA PHE 12 HA PHE 12 4.024 0.018 -18.059
236 HB2 PHE 12 2HB PHE 12 6.016 -1.240 -18.212
237 HB3 PHE 12 3HB PHE 12 5.994 -0.253 -19.670
238 HD1 PHE 12 HD2 PHE 12 6.992 2.300 -18.856
239 HD2 PHE 12 HD1 PHE 12 8.191 -1.574 -17.566
240 HE1 PHE 12 HE2 PHE 12 9.219 3.181 -18.292
241 HE2 PHE 12 HE1 PHE 12 10.419 -0.700 -16.998
242 HZ PHE 12 HZ PHE 12 10.936 1.681 -17.363
243 H GLY 13 H GLY 13 3.302 1.405 -16.251
244 HA2 GLY 13 2HA GLY 13 5.369 1.495 -14.141
245 HA3 GLY 13 3HA GLY 13 4.172 2.769 -14.327
246 H LYS 14 H LYS 14 2.299 2.596 -13.258
247 HA LYS 14 HA LYS 14 1.870 0.914 -11.168
248 HB2 LYS 14 2HB LYS 14 -0.070 2.335 -12.969
249 HB3 LYS 14 3HB LYS 14 -0.644 1.349 -11.630
250 HG2 LYS 14 2HG LYS 14 -0.131 2.907 -10.124
251 HG3 LYS 14 3HG LYS 14 1.451 3.210 -10.847
252 HD2 LYS 14 2HD LYS 14 -0.108 4.335 -12.715
253 HD3 LYS 14 3HD LYS 14 -1.143 4.561 -11.303
254 HE2 LYS 14 2HE LYS 14 0.971 5.481 -10.164
255 HE3 LYS 14 3HE LYS 14 1.628 5.601 -11.795
256 HZ1 LYS 14 3HZ LYS 14 -0.795 6.756 -12.049
257 HZ2 LYS 14 1HZ LYS 14 0.654 7.594 -11.802
258 HZ3 LYS 14 2HZ LYS 14 -0.350 7.235 -10.489
259 H GLY 15 H GLY 15 1.344 0.230 -14.542
260 HA2 GLY 15 2HA GLY 15 -0.392 -1.754 -14.793
261 HA3 GLY 15 3HA GLY 15 1.213 -1.902 -15.494
262 H GLY 16 H GLY 16 2.778 -2.241 -13.253
263 HA2 GLY 16 2HA GLY 16 3.584 -3.992 -11.993
264 HA3 GLY 16 3HA GLY 16 1.984 -3.953 -11.265
Start of MODEL 2
1 H1 VAL 1 H VAL 1 -0.601 -0.684 -1.940
2 HA VAL 1 HA VAL 1 1.164 -0.983 -3.470
3 HB VAL 1 HB VAL 1 2.250 0.851 -1.328
4 HG11 VAL 1 1HG1 VAL 1 3.235 0.069 -3.995
5 HG12 VAL 1 2HG1 VAL 1 3.261 1.797 -3.637
6 HG13 VAL 1 3HG1 VAL 1 4.114 0.665 -2.587
7 HG21 VAL 1 3HG2 VAL 1 0.798 1.609 -3.854
8 HG22 VAL 1 1HG2 VAL 1 -0.018 1.389 -2.306
9 HG23 VAL 1 2HG2 VAL 1 1.212 2.639 -2.484
10 H ALA 2 H ALA 2 3.152 -1.900 -3.959
11 HA ALA 2 HA ALA 2 4.054 -3.933 -2.178
12 HB1 ALA 2 1HB ALA 2 4.840 -4.819 -4.054
13 HB2 ALA 2 2HB ALA 2 4.274 -3.391 -4.921
14 HB3 ALA 2 3HB ALA 2 5.923 -3.449 -4.298
15 H ARG 3 H ARG 3 6.056 -1.446 -3.755
16 HA ARG 3 HA ARG 3 7.513 -1.143 -1.211
17 HB2 ARG 3 2HB ARG 3 8.654 -0.937 -4.003
18 HB3 ARG 3 3HB ARG 3 9.549 -0.752 -2.501
19 HG2 ARG 3 2HG ARG 3 8.116 -3.278 -3.282
20 HG3 ARG 3 3HG ARG 3 9.816 -2.961 -3.634
21 HD2 ARG 3 2HD ARG 3 9.698 -2.383 -0.980
22 HD3 ARG 3 3HD ARG 3 8.508 -3.678 -1.106
23 HE ARG 3 HE ARG 3 10.936 -4.335 -2.444
24 HH11 ARG 3 1HH1 ARG 3 9.428 -4.159 0.689
25 HH12 ARG 3 2HH1 ARG 3 10.444 -5.375 1.391
26 HH21 ARG 3 1HH2 ARG 3 12.280 -5.937 -1.531
27 HH22 ARG 3 2HH2 ARG 3 12.066 -6.385 0.127
28 H GLY 4 H GLY 4 8.945 0.857 -3.331
29 HA2 GLY 4 2HA GLY 4 7.095 3.088 -2.758
30 HA3 GLY 4 3HA GLY 4 8.829 3.237 -2.515
31 H TRP 5 H TRP 5 6.250 3.153 -4.839
32 HA TRP 5 HA TRP 5 7.789 3.099 -7.196
33 HB2 TRP 5 2HB TRP 5 5.166 4.556 -6.947
34 HB3 TRP 5 3HB TRP 5 5.815 3.696 -8.340
35 HD1 TRP 5 HD1 TRP 5 2.972 3.224 -6.559
36 HE1 TRP 5 HE1 TRP 5 2.430 0.781 -5.960
37 HE3 TRP 5 HE3 TRP 5 7.618 1.184 -7.186
38 HZ2 TRP 5 HZ2 TRP 5 3.791 -1.685 -5.777
39 HZ3 TRP 5 HZ3 TRP 5 7.913 -1.224 -6.779
40 HH2 TRP 5 HH2 TRP 5 6.038 -2.627 -6.088
41 H LYS 6 H LYS 6 9.524 4.485 -7.121
42 HA LYS 6 HA LYS 6 8.901 7.359 -6.940
43 HB2 LYS 6 2HB LYS 6 11.513 5.925 -6.424
44 HB3 LYS 6 3HB LYS 6 11.295 7.669 -6.371
45 HG2 LYS 6 2HG LYS 6 10.430 7.611 -4.317
46 HG3 LYS 6 3HG LYS 6 9.409 6.220 -4.686
47 HD2 LYS 6 2HD LYS 6 10.878 4.770 -3.807
48 HD3 LYS 6 3HD LYS 6 12.259 5.582 -4.546
49 HE2 LYS 6 2HE LYS 6 11.783 7.402 -2.732
50 HE3 LYS 6 3HE LYS 6 10.938 6.089 -1.915
51 HZ1 LYS 6 3HZ LYS 6 13.000 5.769 -1.074
52 HZ2 LYS 6 1HZ LYS 6 13.791 6.440 -2.411
53 HZ3 LYS 6 2HZ LYS 6 13.193 4.860 -2.488
54 H ARG 7 H ARG 7 12.006 6.922 -7.994
55 HA ARG 7 HA ARG 7 11.299 7.729 -10.687
56 HB2 ARG 7 2HB ARG 7 13.921 7.509 -9.214
57 HB3 ARG 7 3HB ARG 7 13.829 7.908 -10.924
58 HG2 ARG 7 2HG ARG 7 12.444 9.486 -8.771
59 HG3 ARG 7 3HG ARG 7 14.053 9.863 -9.388
60 HD2 ARG 7 2HD ARG 7 12.419 9.539 -11.643
61 HD3 ARG 7 3HD ARG 7 11.475 10.490 -10.497
62 HE ARG 7 HE ARG 7 13.814 11.330 -11.928
63 HH11 ARG 7 1HH1 ARG 7 11.902 11.818 -9.060
64 HH12 ARG 7 2HH1 ARG 7 12.434 13.450 -8.826
65 HH21 ARG 7 1HH2 ARG 7 14.522 13.478 -11.630
66 HH22 ARG 7 2HH2 ARG 7 13.923 14.394 -10.288
67 H LYS 8 H LYS 8 14.006 5.637 -9.821
68 HA LYS 8 HA LYS 8 13.772 4.055 -12.136
69 HB2 LYS 8 2HB LYS 8 15.407 4.039 -9.683
70 HB3 LYS 8 3HB LYS 8 15.198 2.466 -10.442
71 HG2 LYS 8 2HG LYS 8 17.143 3.283 -11.401
72 HG3 LYS 8 3HG LYS 8 15.908 3.643 -12.610
73 HD2 LYS 8 2HD LYS 8 16.224 5.849 -12.419
74 HD3 LYS 8 3HD LYS 8 16.227 5.777 -10.655
75 HE2 LYS 8 2HE LYS 8 18.366 6.554 -11.261
76 HE3 LYS 8 3HE LYS 8 18.583 4.856 -10.842
77 HZ1 LYS 8 3HZ LYS 8 18.707 4.269 -13.116
78 HZ2 LYS 8 1HZ LYS 8 19.732 5.600 -12.914
79 HZ3 LYS 8 2HZ LYS 8 18.211 5.804 -13.626
80 H CYS 9 H CYS 9 11.560 3.408 -12.170
81 HA CYS 9 HA CYS 9 10.038 2.138 -10.350
82 HB2 CYS 9 2HB CYS 9 10.351 1.211 -13.213
83 HB3 CYS 9 3HB CYS 9 8.963 0.912 -12.172
84 HA PRO 10 HA PRO 10 12.840 -1.250 -9.275
85 HB2 PRO 10 2HB PRO 10 11.604 -1.804 -6.923
86 HB3 PRO 10 3HB PRO 10 12.775 -0.493 -7.107
87 HG2 PRO 10 2HG PRO 10 9.784 -0.374 -7.100
88 HG3 PRO 10 3HG PRO 10 10.948 0.704 -6.309
89 HD2 PRO 10 2HD PRO 10 9.726 1.338 -8.641
90 HD3 PRO 10 3HD PRO 10 11.373 1.875 -8.249
91 H LEU 11 H LEU 11 9.356 -1.457 -8.508
92 HA LEU 11 HA LEU 11 9.370 -4.216 -9.516
93 HB2 LEU 11 2HB LEU 11 8.578 -3.654 -7.165
94 HB3 LEU 11 3HB LEU 11 7.181 -2.900 -7.931
95 HG LEU 11 HG LEU 11 6.810 -5.222 -7.059
96 HD11 LEU 11 1HD1 LEU 11 6.305 -5.596 -9.893
97 HD12 LEU 11 2HD1 LEU 11 5.861 -3.983 -9.334
98 HD13 LEU 11 3HD1 LEU 11 5.172 -5.407 -8.554
99 HD21 LEU 11 3HD2 LEU 11 9.047 -6.082 -7.739
100 HD22 LEU 11 1HD2 LEU 11 8.502 -6.038 -9.416
101 HD23 LEU 11 2HD2 LEU 11 7.700 -7.096 -8.256
102 H PHE 12 H PHE 12 7.036 -1.517 -9.395
103 HA PHE 12 HA PHE 12 5.551 -2.414 -11.620
104 HB2 PHE 12 2HB PHE 12 4.305 -0.426 -11.419
105 HB3 PHE 12 3HB PHE 12 4.837 -0.777 -9.778
106 HD1 PHE 12 HD1 PHE 12 7.427 0.239 -9.481
107 HD2 PHE 12 HD2 PHE 12 4.261 1.819 -11.846
108 HE1 PHE 12 HE1 PHE 12 8.435 2.478 -9.328
109 HE2 PHE 12 HE2 PHE 12 5.264 4.060 -11.698
110 HZ PHE 12 HZ PHE 12 7.354 4.392 -10.438
111 H GLY 13 H GLY 13 7.388 -2.858 -13.073
112 HA2 GLY 13 2HA GLY 13 8.119 -0.426 -14.584
113 HA3 GLY 13 3HA GLY 13 9.270 -1.722 -14.296
114 H LYS 14 H LYS 14 9.460 -3.243 -15.806
115 HA LYS 14 HA LYS 14 8.326 -3.122 -18.293
116 HB2 LYS 14 2HB LYS 14 9.209 -5.637 -16.865
117 HB3 LYS 14 3HB LYS 14 9.024 -5.456 -18.604
118 HG2 LYS 14 2HG LYS 14 10.993 -4.407 -18.834
119 HG3 LYS 14 3HG LYS 14 10.794 -3.485 -17.342
120 HD2 LYS 14 2HD LYS 14 11.127 -6.294 -16.777
121 HD3 LYS 14 3HD LYS 14 12.460 -5.690 -17.764
122 HE2 LYS 14 2HE LYS 14 13.217 -5.258 -15.627
123 HE3 LYS 14 3HE LYS 14 12.473 -3.721 -16.065
124 HZ1 LYS 14 3HZ LYS 14 10.926 -3.945 -14.491
125 HZ2 LYS 14 1HZ LYS 14 11.936 -5.127 -13.824
126 HZ3 LYS 14 2HZ LYS 14 10.655 -5.580 -14.830
127 H GLY 15 H GLY 15 6.899 -4.315 -15.390
128 HA2 GLY 15 2HA GLY 15 5.064 -6.164 -16.047
129 HA3 GLY 15 3HA GLY 15 4.664 -4.805 -15.007
130 H GLY 16 H GLY 16 4.963 -2.798 -17.074
131 HA2 GLY 16 2HA GLY 16 2.324 -2.823 -18.091
132 HA3 GLY 16 3HA GLY 16 3.591 -1.695 -18.549
133 H1 VAL 1 H VAL 1 9.893 -1.688 -29.341
134 HA VAL 1 HA VAL 1 9.499 -1.736 -26.493
135 HB VAL 1 HB VAL 1 11.890 -1.307 -26.513
136 HG11 VAL 1 1HG1 VAL 1 12.026 1.293 -27.639
137 HG12 VAL 1 2HG1 VAL 1 12.852 -0.175 -28.162
138 HG13 VAL 1 3HG1 VAL 1 11.266 0.228 -28.821
139 HG21 VAL 1 3HG2 VAL 1 10.040 0.122 -25.150
140 HG22 VAL 1 1HG2 VAL 1 11.780 0.258 -24.897
141 HG23 VAL 1 2HG2 VAL 1 10.946 1.418 -25.931
142 H ALA 2 H ALA 2 8.210 -0.052 -25.761
143 HA ALA 2 HA ALA 2 6.631 1.250 -27.762
144 HB1 ALA 2 1HB ALA 2 6.280 0.527 -25.092
145 HB2 ALA 2 2HB ALA 2 6.202 2.289 -25.108
146 HB3 ALA 2 3HB ALA 2 5.120 1.350 -26.136
147 H ARG 3 H ARG 3 8.318 2.676 -24.959
148 HA ARG 3 HA ARG 3 8.989 4.982 -26.668
149 HB2 ARG 3 2HB ARG 3 8.380 4.996 -23.706
150 HB3 ARG 3 3HB ARG 3 8.818 6.398 -24.672
151 HG2 ARG 3 2HG ARG 3 6.754 6.614 -25.535
152 HG3 ARG 3 3HG ARG 3 6.502 4.871 -25.645
153 HD2 ARG 3 2HD ARG 3 5.594 4.736 -23.575
154 HD3 ARG 3 3HD ARG 3 6.629 6.006 -22.923
155 HE ARG 3 HE ARG 3 4.945 7.484 -23.320
156 HH11 ARG 3 1HH1 ARG 3 4.498 4.724 -25.394
157 HH12 ARG 3 2HH1 ARG 3 2.990 5.286 -26.035
158 HH21 ARG 3 1HH2 ARG 3 2.960 8.234 -24.156
159 HH22 ARG 3 2HH2 ARG 3 2.116 7.283 -25.331
160 H GLY 4 H GLY 4 10.230 5.553 -23.699
161 HA2 GLY 4 2HA GLY 4 12.762 4.153 -24.281
162 HA3 GLY 4 3HA GLY 4 12.742 5.867 -23.898
163 H TRP 5 H TRP 5 12.070 2.649 -22.624
164 HA TRP 5 HA TRP 5 11.405 3.263 -20.016
165 HB2 TRP 5 2HB TRP 5 13.220 0.957 -20.699
166 HB3 TRP 5 3HB TRP 5 11.978 1.042 -19.452
167 HD1 TRP 5 HD1 TRP 5 12.282 -1.067 -22.050
168 HE1 TRP 5 HE1 TRP 5 10.154 -1.454 -23.446
169 HE3 TRP 5 HE3 TRP 5 9.642 3.090 -20.676
170 HZ2 TRP 5 HZ2 TRP 5 7.685 -0.167 -23.905
171 HZ3 TRP 5 HZ3 TRP 5 7.405 3.438 -21.640
172 HH2 TRP 5 HH2 TRP 5 6.449 1.843 -23.221
173 H LYS 6 H LYS 6 12.479 4.864 -18.980
174 HA LYS 6 HA LYS 6 15.374 4.485 -18.575
175 HB2 LYS 6 2HB LYS 6 13.816 7.074 -18.685
176 HB3 LYS 6 3HB LYS 6 15.520 6.945 -18.269
177 HG2 LYS 6 2HG LYS 6 16.148 6.781 -20.404
178 HG3 LYS 6 3HG LYS 6 14.839 5.665 -20.802
179 HD2 LYS 6 2HD LYS 6 14.210 7.477 -22.051
180 HD3 LYS 6 3HD LYS 6 13.369 7.842 -20.542
181 HE2 LYS 6 2HE LYS 6 15.172 9.319 -19.868
182 HE3 LYS 6 3HE LYS 6 16.083 8.906 -21.319
183 HZ1 LYS 6 3HZ LYS 6 13.418 10.214 -21.336
184 HZ2 LYS 6 1HZ LYS 6 14.421 9.938 -22.671
185 HZ3 LYS 6 2HZ LYS 6 14.887 11.041 -21.477
186 H ARG 7 H ARG 7 14.265 7.064 -16.814
187 HA ARG 7 HA ARG 7 14.387 5.534 -14.349
188 HB2 ARG 7 2HB ARG 7 14.004 8.036 -13.478
189 HB3 ARG 7 3HB ARG 7 15.583 7.430 -13.961
190 HG2 ARG 7 2HG ARG 7 13.878 8.669 -16.048
191 HG3 ARG 7 3HG ARG 7 14.629 9.725 -14.850
192 HD2 ARG 7 2HD ARG 7 16.430 7.708 -15.974
193 HD3 ARG 7 3HD ARG 7 15.811 8.861 -17.156
194 HE ARG 7 HE ARG 7 17.738 9.369 -15.124
195 HH11 ARG 7 1HH1 ARG 7 15.131 10.819 -16.919
196 HH12 ARG 7 2HH1 ARG 7 15.737 12.433 -16.749
197 HH21 ARG 7 1HH2 ARG 7 18.547 11.489 -14.893
198 HH22 ARG 7 2HH2 ARG 7 17.681 12.813 -15.597
199 H LYS 8 H LYS 8 12.321 8.325 -15.037
200 HA LYS 8 HA LYS 8 10.191 7.335 -13.456
201 HB2 LYS 8 2HB LYS 8 8.899 9.233 -14.510
202 HB3 LYS 8 3HB LYS 8 10.386 9.693 -13.691
203 HG2 LYS 8 2HG LYS 8 10.989 10.760 -15.532
204 HG3 LYS 8 3HG LYS 8 11.126 9.194 -16.336
205 HD2 LYS 8 2HD LYS 8 9.173 9.450 -17.455
206 HD3 LYS 8 3HD LYS 8 8.401 10.315 -16.123
207 HE2 LYS 8 2HE LYS 8 8.618 12.085 -17.504
208 HE3 LYS 8 3HE LYS 8 10.256 12.125 -16.854
209 HZ1 LYS 8 3HZ LYS 8 11.137 11.408 -18.784
210 HZ2 LYS 8 1HZ LYS 8 9.725 12.064 -19.447
211 HZ3 LYS 8 2HZ LYS 8 9.829 10.401 -19.156
212 H CYS 9 H CYS 9 10.068 5.182 -14.495
213 HA CYS 9 HA CYS 9 9.414 4.475 -16.997
214 HB2 CYS 9 2HB CYS 9 7.683 2.859 -15.846
215 HB3 CYS 9 3HB CYS 9 9.409 2.680 -15.548
216 HA PRO 10 HA PRO 10 5.883 7.225 -17.676
217 HB2 PRO 10 2HB PRO 10 6.002 7.051 -20.383
218 HB3 PRO 10 3HB PRO 10 7.043 8.127 -19.442
219 HG2 PRO 10 2HG PRO 10 7.651 5.430 -20.590
220 HG3 PRO 10 3HG PRO 10 8.655 6.891 -20.575
221 HD2 PRO 10 2HD PRO 10 9.021 4.854 -18.830
222 HD3 PRO 10 3HD PRO 10 9.345 6.546 -18.403
223 H LEU 11 H LEU 11 6.430 4.320 -19.683
224 HA LEU 11 HA LEU 11 3.550 3.779 -19.600
225 HB2 LEU 11 2HB LEU 11 4.965 3.850 -21.758
226 HB3 LEU 11 3HB LEU 11 5.547 2.267 -21.245
227 HG LEU 11 HG LEU 11 2.612 2.805 -21.537
228 HD11 LEU 11 1HD1 LEU 11 4.634 2.549 -23.667
229 HD12 LEU 11 2HD1 LEU 11 3.038 3.299 -23.695
230 HD13 LEU 11 3HD1 LEU 11 3.191 1.548 -23.838
231 HD21 LEU 11 3HD2 LEU 11 3.392 0.222 -22.343
232 HD22 LEU 11 1HD2 LEU 11 2.505 0.686 -20.890
233 HD23 LEU 11 2HD2 LEU 11 4.265 0.575 -20.851
234 H PHE 12 H PHE 12 6.499 1.769 -19.594
235 HA PHE 12 HA PHE 12 5.270 -0.404 -18.280
236 HB2 PHE 12 2HB PHE 12 7.419 -1.399 -18.213
237 HB3 PHE 12 3HB PHE 12 7.394 -0.436 -19.686
238 HD1 PHE 12 HD2 PHE 12 8.074 2.185 -19.034
239 HD2 PHE 12 HD1 PHE 12 9.458 -1.391 -17.185
240 HE1 PHE 12 HE2 PHE 12 10.110 3.356 -18.302
241 HE2 PHE 12 HE1 PHE 12 11.496 -0.225 -16.450
242 HZ PHE 12 HZ PHE 12 11.825 2.151 -17.009
243 H GLY 13 H GLY 13 4.206 0.832 -16.541
244 HA2 GLY 13 2HA GLY 13 6.030 1.151 -14.238
245 HA3 GLY 13 3HA GLY 13 4.704 2.264 -14.534
246 H LYS 14 H LYS 14 2.776 1.837 -13.651
247 HA LYS 14 HA LYS 14 2.389 0.030 -11.639
248 HB2 LYS 14 2HB LYS 14 0.291 1.080 -13.547
249 HB3 LYS 14 3HB LYS 14 -0.040 0.343 -11.984
250 HG2 LYS 14 2HG LYS 14 0.104 2.346 -11.061
251 HG3 LYS 14 3HG LYS 14 1.813 2.392 -11.499
252 HD2 LYS 14 2HD LYS 14 1.090 3.253 -13.757
253 HD3 LYS 14 3HD LYS 14 -0.531 3.429 -13.082
254 HE2 LYS 14 2HE LYS 14 1.984 4.777 -12.105
255 HE3 LYS 14 3HE LYS 14 0.653 5.540 -12.973
256 HZ1 LYS 14 3HZ LYS 14 0.708 4.528 -10.203
257 HZ2 LYS 14 1HZ LYS 14 -0.760 4.710 -11.024
258 HZ3 LYS 14 2HZ LYS 14 0.237 6.052 -10.768
259 H GLY 15 H GLY 15 2.328 -0.569 -15.042
260 HA2 GLY 15 2HA GLY 15 0.757 -2.714 -15.470
261 HA3 GLY 15 3HA GLY 15 2.382 -2.614 -16.131
262 H GLY 16 H GLY 16 3.679 -2.720 -13.520
263 HA2 GLY 16 2HA GLY 16 3.970 -5.523 -13.306
264 HA3 GLY 16 3HA GLY 16 4.623 -4.335 -12.188
Start of MODEL 3
1 H1 VAL 1 H VAL 1 1.043 0.730 -0.135
2 HA VAL 1 HA VAL 1 0.643 -0.193 -2.440
3 HB VAL 1 HB VAL 1 2.035 0.562 -4.225
4 HG11 VAL 1 1HG1 VAL 1 1.162 3.105 -2.887
5 HG12 VAL 1 2HG1 VAL 1 1.161 2.705 -4.606
6 HG13 VAL 1 3HG1 VAL 1 0.002 1.937 -3.521
7 HG21 VAL 1 3HG2 VAL 1 4.121 1.138 -3.622
8 HG22 VAL 1 1HG2 VAL 1 3.448 2.761 -3.463
9 HG23 VAL 1 2HG2 VAL 1 3.607 1.729 -2.042
10 H ALA 2 H ALA 2 2.773 -1.195 -3.751
11 HA ALA 2 HA ALA 2 3.783 -3.136 -2.015
12 HB1 ALA 2 1HB ALA 2 5.540 -2.792 -4.254
13 HB2 ALA 2 2HB ALA 2 4.383 -4.083 -3.930
14 HB3 ALA 2 3HB ALA 2 3.863 -2.624 -4.773
15 H ARG 3 H ARG 3 5.851 -0.812 -3.747
16 HA ARG 3 HA ARG 3 7.476 -0.579 -1.299
17 HB2 ARG 3 2HB ARG 3 8.468 -0.495 -4.154
18 HB3 ARG 3 3HB ARG 3 9.457 -0.369 -2.706
19 HG2 ARG 3 2HG ARG 3 7.784 -2.781 -3.355
20 HG3 ARG 3 3HG ARG 3 9.472 -2.603 -3.839
21 HD2 ARG 3 2HD ARG 3 9.520 -1.974 -1.161
22 HD3 ARG 3 3HD ARG 3 8.325 -3.268 -1.243
23 HE ARG 3 HE ARG 3 10.755 -3.840 -2.670
24 HH11 ARG 3 1HH1 ARG 3 9.146 -3.959 0.415
25 HH12 ARG 3 2HH1 ARG 3 10.134 -5.244 1.028
26 HH21 ARG 3 1HH2 ARG 3 12.062 -5.531 -1.875
27 HH22 ARG 3 2HH2 ARG 3 11.793 -6.137 -0.276
28 H GLY 4 H GLY 4 8.933 1.276 -3.523
29 HA2 GLY 4 2HA GLY 4 7.279 3.646 -2.904
30 HA3 GLY 4 3HA GLY 4 9.030 3.671 -2.750
31 H TRP 5 H TRP 5 6.337 3.733 -4.943
32 HA TRP 5 HA TRP 5 7.745 3.530 -7.372
33 HB2 TRP 5 2HB TRP 5 5.253 5.184 -7.020
34 HB3 TRP 5 3HB TRP 5 5.764 4.255 -8.427
35 HD1 TRP 5 HD1 TRP 5 2.989 4.026 -6.497
36 HE1 TRP 5 HE1 TRP 5 2.299 1.639 -5.824
37 HE3 TRP 5 HE3 TRP 5 7.433 1.634 -7.316
38 HZ2 TRP 5 HZ2 TRP 5 3.482 -0.918 -5.661
39 HZ3 TRP 5 HZ3 TRP 5 7.570 -0.783 -6.876
40 HH2 TRP 5 HH2 TRP 5 5.635 -2.031 -6.066
41 H LYS 6 H LYS 6 9.583 4.784 -7.394
42 HA LYS 6 HA LYS 6 9.183 7.699 -7.247
43 HB2 LYS 6 2HB LYS 6 11.696 6.074 -6.819
44 HB3 LYS 6 3HB LYS 6 11.626 7.831 -6.810
45 HG2 LYS 6 2HG LYS 6 10.652 7.923 -4.763
46 HG3 LYS 6 3HG LYS 6 9.798 6.393 -4.977
47 HD2 LYS 6 2HD LYS 6 11.483 6.101 -3.291
48 HD3 LYS 6 3HD LYS 6 11.977 5.214 -4.735
49 HE2 LYS 6 2HE LYS 6 13.513 6.965 -5.343
50 HE3 LYS 6 3HE LYS 6 12.936 7.983 -4.025
51 HZ1 LYS 6 3HZ LYS 6 13.667 5.822 -2.674
52 HZ2 LYS 6 1HZ LYS 6 14.720 7.108 -2.993
53 HZ3 LYS 6 2HZ LYS 6 14.761 5.721 -3.960
54 H ARG 7 H ARG 7 12.192 6.982 -8.443
55 HA ARG 7 HA ARG 7 11.414 7.807 -11.114
56 HB2 ARG 7 2HB ARG 7 14.011 7.545 -9.645
57 HB3 ARG 7 3HB ARG 7 14.014 7.631 -11.402
58 HG2 ARG 7 2HG ARG 7 13.838 9.832 -11.316
59 HG3 ARG 7 3HG ARG 7 12.335 9.697 -10.401
60 HD2 ARG 7 2HD ARG 7 13.861 9.303 -8.366
61 HD3 ARG 7 3HD ARG 7 15.144 9.954 -9.385
62 HE ARG 7 HE ARG 7 12.978 11.722 -9.457
63 HH11 ARG 7 1HH1 ARG 7 15.363 10.537 -7.213
64 HH12 ARG 7 2HH1 ARG 7 15.380 11.987 -6.265
65 HH21 ARG 7 1HH2 ARG 7 12.992 13.636 -8.216
66 HH22 ARG 7 2HH2 ARG 7 14.031 13.748 -6.835
67 H LYS 8 H LYS 8 13.997 5.531 -10.337
68 HA LYS 8 HA LYS 8 13.533 3.931 -12.603
69 HB2 LYS 8 2HB LYS 8 15.057 2.292 -11.423
70 HB3 LYS 8 3HB LYS 8 15.711 3.907 -11.662
71 HG2 LYS 8 2HG LYS 8 16.185 3.957 -9.501
72 HG3 LYS 8 3HG LYS 8 14.451 3.987 -9.173
73 HD2 LYS 8 2HD LYS 8 14.399 1.812 -8.555
74 HD3 LYS 8 3HD LYS 8 15.601 1.334 -9.756
75 HE2 LYS 8 2HE LYS 8 17.246 2.655 -8.225
76 HE3 LYS 8 3HE LYS 8 15.997 2.428 -7.001
77 HZ1 LYS 8 3HZ LYS 8 16.328 0.187 -6.943
78 HZ2 LYS 8 1HZ LYS 8 17.900 0.685 -7.323
79 HZ3 LYS 8 2HZ LYS 8 16.883 0.096 -8.539
80 H CYS 9 H CYS 9 11.291 3.434 -12.544
81 HA CYS 9 HA CYS 9 9.750 2.330 -10.634
82 HB2 CYS 9 2HB CYS 9 9.897 1.328 -13.485
83 HB3 CYS 9 3HB CYS 9 8.537 1.115 -12.388
84 HA PRO 10 HA PRO 10 12.338 -1.222 -9.554
85 HB2 PRO 10 2HB PRO 10 11.150 -1.620 -7.145
86 HB3 PRO 10 3HB PRO 10 12.405 -0.403 -7.409
87 HG2 PRO 10 2HG PRO 10 9.432 -0.067 -7.304
88 HG3 PRO 10 3HG PRO 10 10.699 0.946 -6.586
89 HD2 PRO 10 2HD PRO 10 9.443 1.602 -8.893
90 HD3 PRO 10 3HD PRO 10 11.136 2.028 -8.573
91 H LEU 11 H LEU 11 8.869 -1.137 -8.700
92 HA LEU 11 HA LEU 11 8.650 -3.916 -9.637
93 HB2 LEU 11 2HB LEU 11 8.023 -3.283 -7.256
94 HB3 LEU 11 3HB LEU 11 6.645 -2.436 -7.956
95 HG LEU 11 HG LEU 11 7.113 -5.359 -8.461
96 HD11 LEU 11 1HD1 LEU 11 7.073 -5.040 -6.039
97 HD12 LEU 11 2HD1 LEU 11 5.616 -5.855 -6.607
98 HD13 LEU 11 3HD1 LEU 11 5.560 -4.145 -6.180
99 HD21 LEU 11 3HD2 LEU 11 5.310 -5.100 -9.726
100 HD22 LEU 11 1HD2 LEU 11 5.177 -3.406 -9.252
101 HD23 LEU 11 2HD2 LEU 11 4.394 -4.656 -8.285
102 H PHE 12 H PHE 12 6.540 -1.042 -9.443
103 HA PHE 12 HA PHE 12 4.866 -1.858 -11.565
104 HB2 PHE 12 2HB PHE 12 3.788 0.222 -11.333
105 HB3 PHE 12 3HB PHE 12 4.389 -0.138 -9.718
106 HD1 PHE 12 HD1 PHE 12 7.046 0.690 -9.570
107 HD2 PHE 12 HD2 PHE 12 3.900 2.447 -11.835
108 HE1 PHE 12 HE1 PHE 12 8.226 2.848 -9.528
109 HE2 PHE 12 HE2 PHE 12 5.076 4.608 -11.798
110 HZ PHE 12 HZ PHE 12 7.242 4.811 -10.644
111 H GLY 13 H GLY 13 6.531 -2.466 -13.135
112 HA2 GLY 13 2HA GLY 13 7.370 -0.124 -14.726
113 HA3 GLY 13 3HA GLY 13 8.444 -1.490 -14.469
114 H LYS 14 H LYS 14 8.454 -3.038 -15.960
115 HA LYS 14 HA LYS 14 7.148 -2.882 -18.371
116 HB2 LYS 14 2HB LYS 14 7.597 -5.419 -18.488
117 HB3 LYS 14 3HB LYS 14 8.973 -4.338 -18.308
118 HG2 LYS 14 2HG LYS 14 8.869 -4.774 -15.840
119 HG3 LYS 14 3HG LYS 14 7.673 -6.025 -16.186
120 HD2 LYS 14 2HD LYS 14 9.798 -7.094 -16.021
121 HD3 LYS 14 3HD LYS 14 9.351 -7.073 -17.728
122 HE2 LYS 14 2HE LYS 14 10.747 -4.683 -17.250
123 HE3 LYS 14 3HE LYS 14 11.657 -5.954 -16.433
124 HZ1 LYS 14 3HZ LYS 14 10.756 -6.180 -19.247
125 HZ2 LYS 14 1HZ LYS 14 11.886 -7.145 -18.438
126 HZ3 LYS 14 2HZ LYS 14 12.261 -5.540 -18.815
127 H GLY 15 H GLY 15 5.882 -3.914 -15.356
128 HA2 GLY 15 2HA GLY 15 3.956 -5.744 -15.840
129 HA3 GLY 15 3HA GLY 15 3.680 -4.356 -14.798
130 H GLY 16 H GLY 16 3.947 -2.437 -17.005
131 HA2 GLY 16 2HA GLY 16 1.256 -2.203 -17.726
132 HA3 GLY 16 3HA GLY 16 2.586 -1.362 -18.508
133 H1 VAL 1 H VAL 1 9.155 -1.830 -29.363
134 HA VAL 1 HA VAL 1 7.866 -1.608 -26.795
135 HB VAL 1 HB VAL 1 10.117 0.026 -27.978
136 HG11 VAL 1 1HG1 VAL 1 8.644 0.178 -25.447
137 HG12 VAL 1 2HG1 VAL 1 10.400 0.153 -25.276
138 HG13 VAL 1 3HG1 VAL 1 9.627 1.392 -26.265
139 HG21 VAL 1 3HG2 VAL 1 11.625 -1.396 -26.851
140 HG22 VAL 1 1HG2 VAL 1 10.331 -2.170 -25.935
141 HG23 VAL 1 2HG2 VAL 1 10.486 -2.467 -27.667
142 H ALA 2 H ALA 2 6.774 0.169 -25.972
143 HA ALA 2 HA ALA 2 5.238 1.663 -27.864
144 HB1 ALA 2 1HB ALA 2 4.950 0.923 -25.195
145 HB2 ALA 2 2HB ALA 2 5.057 2.684 -25.172
146 HB3 ALA 2 3HB ALA 2 3.831 1.888 -26.158
147 H ARG 3 H ARG 3 7.197 2.867 -25.136
148 HA ARG 3 HA ARG 3 8.005 5.127 -26.847
149 HB2 ARG 3 2HB ARG 3 7.537 5.145 -23.859
150 HB3 ARG 3 3HB ARG 3 8.077 6.514 -24.821
151 HG2 ARG 3 2HG ARG 3 6.001 7.032 -25.420
152 HG3 ARG 3 3HG ARG 3 5.628 5.362 -25.853
153 HD2 ARG 3 2HD ARG 3 4.634 4.946 -23.881
154 HD3 ARG 3 3HD ARG 3 5.846 5.847 -22.972
155 HE ARG 3 HE ARG 3 4.479 7.682 -23.035
156 HH11 ARG 3 1HH1 ARG 3 3.385 5.359 -25.386
157 HH12 ARG 3 2HH1 ARG 3 1.928 6.222 -25.753
158 HH21 ARG 3 1HH2 ARG 3 2.564 8.828 -23.509
159 HH22 ARG 3 2HH2 ARG 3 1.463 8.195 -24.685
160 H GLY 4 H GLY 4 9.435 5.511 -23.930
161 HA2 GLY 4 2HA GLY 4 11.793 3.895 -24.668
162 HA3 GLY 4 3HA GLY 4 11.952 5.592 -24.240
163 H TRP 5 H TRP 5 11.068 2.408 -23.021
164 HA TRP 5 HA TRP 5 10.577 3.005 -20.367
165 HB2 TRP 5 2HB TRP 5 12.125 0.562 -21.216
166 HB3 TRP 5 3HB TRP 5 10.983 0.723 -19.885
167 HD1 TRP 5 HD1 TRP 5 10.892 -1.345 -22.514
168 HE1 TRP 5 HE1 TRP 5 8.658 -1.477 -23.784
169 HE3 TRP 5 HE3 TRP 5 8.804 3.050 -20.943
170 HZ2 TRP 5 HZ2 TRP 5 6.319 0.076 -24.082
171 HZ3 TRP 5 HZ3 TRP 5 6.565 3.653 -21.768
172 HH2 TRP 5 HH2 TRP 5 5.351 2.196 -23.306
173 H LYS 6 H LYS 6 11.858 4.504 -19.395
174 HA LYS 6 HA LYS 6 14.706 3.806 -19.092
175 HB2 LYS 6 2HB LYS 6 13.473 6.567 -19.140
176 HB3 LYS 6 3HB LYS 6 15.173 6.215 -18.860
177 HG2 LYS 6 2HG LYS 6 15.602 5.930 -21.038
178 HG3 LYS 6 3HG LYS 6 14.089 5.067 -21.328
179 HD2 LYS 6 2HD LYS 6 13.899 7.058 -22.562
180 HD3 LYS 6 3HD LYS 6 12.946 7.336 -21.102
181 HE2 LYS 6 2HE LYS 6 14.258 9.023 -20.458
182 HE3 LYS 6 3HE LYS 6 15.727 8.097 -20.763
183 HZ1 LYS 6 3HZ LYS 6 15.776 8.780 -22.982
184 HZ2 LYS 6 1HZ LYS 6 15.370 10.183 -22.129
185 HZ3 LYS 6 2HZ LYS 6 14.175 9.324 -22.961
186 H ARG 7 H ARG 7 14.069 6.496 -17.316
187 HA ARG 7 HA ARG 7 14.045 4.982 -14.844
188 HB2 ARG 7 2HB ARG 7 14.420 7.887 -15.523
189 HB3 ARG 7 3HB ARG 7 14.176 7.367 -13.861
190 HG2 ARG 7 2HG ARG 7 16.270 6.629 -13.671
191 HG3 ARG 7 3HG ARG 7 16.226 5.834 -15.246
192 HD2 ARG 7 2HD ARG 7 16.283 8.768 -15.340
193 HD3 ARG 7 3HD ARG 7 17.726 8.022 -14.655
194 HE ARG 7 HE ARG 7 16.861 7.936 -17.399
195 HH11 ARG 7 1HH1 ARG 7 18.788 6.399 -14.941
196 HH12 ARG 7 2HH1 ARG 7 19.849 5.626 -16.072
197 HH21 ARG 7 1HH2 ARG 7 18.251 6.925 -18.898
198 HH22 ARG 7 2HH2 ARG 7 19.543 5.927 -18.323
199 H LYS 8 H LYS 8 12.341 8.012 -15.539
200 HA LYS 8 HA LYS 8 10.170 7.371 -13.842
201 HB2 LYS 8 2HB LYS 8 9.100 9.386 -14.840
202 HB3 LYS 8 3HB LYS 8 10.731 9.678 -14.250
203 HG2 LYS 8 2HG LYS 8 10.444 8.934 -17.099
204 HG3 LYS 8 3HG LYS 8 9.879 10.535 -16.617
205 HD2 LYS 8 2HD LYS 8 12.277 10.427 -15.351
206 HD3 LYS 8 3HD LYS 8 12.613 9.463 -16.791
207 HE2 LYS 8 2HE LYS 8 12.161 11.236 -18.230
208 HE3 LYS 8 3HE LYS 8 11.246 12.119 -17.010
209 HZ1 LYS 8 3HZ LYS 8 14.182 11.780 -17.186
210 HZ2 LYS 8 1HZ LYS 8 13.416 12.335 -15.783
211 HZ3 LYS 8 2HZ LYS 8 13.295 13.220 -17.219
212 H CYS 9 H CYS 9 9.833 5.185 -14.865
213 HA CYS 9 HA CYS 9 8.939 4.522 -17.297
214 HB2 CYS 9 2HB CYS 9 7.146 3.086 -16.017
215 HB3 CYS 9 3HB CYS 9 8.863 2.753 -15.814
216 HA PRO 10 HA PRO 10 5.649 7.593 -17.786
217 HB2 PRO 10 2HB PRO 10 5.574 7.388 -20.492
218 HB3 PRO 10 3HB PRO 10 6.772 8.367 -19.635
219 HG2 PRO 10 2HG PRO 10 7.044 5.615 -20.782
220 HG3 PRO 10 3HG PRO 10 8.182 6.974 -20.852
221 HD2 PRO 10 2HD PRO 10 8.466 4.924 -19.105
222 HD3 PRO 10 3HD PRO 10 8.976 6.582 -18.724
223 H LEU 11 H LEU 11 5.782 4.643 -19.797
224 HA LEU 11 HA LEU 11 2.877 4.378 -19.517
225 HB2 LEU 11 2HB LEU 11 4.115 4.306 -21.765
226 HB3 LEU 11 3HB LEU 11 4.632 2.695 -21.273
227 HG LEU 11 HG LEU 11 2.673 2.724 -22.808
228 HD11 LEU 11 1HD1 LEU 11 1.985 0.803 -21.902
229 HD12 LEU 11 2HD1 LEU 11 1.485 1.582 -20.401
230 HD13 LEU 11 3HD1 LEU 11 3.172 1.126 -20.638
231 HD21 LEU 11 3HD2 LEU 11 1.776 4.790 -21.276
232 HD22 LEU 11 1HD2 LEU 11 0.810 3.446 -20.665
233 HD23 LEU 11 2HD2 LEU 11 0.779 3.845 -22.383
234 H PHE 12 H PHE 12 5.580 2.061 -19.717
235 HA PHE 12 HA PHE 12 4.243 0.045 -18.273
236 HB2 PHE 12 2HB PHE 12 6.268 -1.176 -18.367
237 HB3 PHE 12 3HB PHE 12 6.244 -0.209 -19.838
238 HD1 PHE 12 HD1 PHE 12 7.194 2.362 -19.103
239 HD2 PHE 12 HD2 PHE 12 8.420 -1.438 -17.631
240 HE1 PHE 12 HE1 PHE 12 9.393 3.301 -18.522
241 HE2 PHE 12 HE2 PHE 12 10.621 -0.506 -17.046
242 HZ PHE 12 HZ PHE 12 11.109 1.867 -17.491
243 H GLY 13 H GLY 13 3.449 1.367 -16.467
244 HA2 GLY 13 2HA GLY 13 5.474 1.523 -14.321
245 HA3 GLY 13 3HA GLY 13 4.240 2.758 -14.524
246 H LYS 14 H LYS 14 2.309 2.496 -13.560
247 HA LYS 14 HA LYS 14 1.901 0.815 -11.456
248 HB2 LYS 14 2HB LYS 14 -0.254 1.827 -13.321
249 HB3 LYS 14 3HB LYS 14 -0.494 1.280 -11.667
250 HG2 LYS 14 2HG LYS 14 1.124 3.673 -12.517
251 HG3 LYS 14 3HG LYS 14 -0.490 3.706 -11.804
252 HD2 LYS 14 2HD LYS 14 0.428 2.604 -9.785
253 HD3 LYS 14 3HD LYS 14 2.039 2.703 -10.498
254 HE2 LYS 14 2HE LYS 14 2.255 4.745 -9.656
255 HE3 LYS 14 3HE LYS 14 0.912 5.281 -10.664
256 HZ1 LYS 14 3HZ LYS 14 -0.621 4.721 -8.920
257 HZ2 LYS 14 1HZ LYS 14 0.575 5.738 -8.288
258 HZ3 LYS 14 2HZ LYS 14 0.619 4.079 -7.965
259 H GLY 15 H GLY 15 1.589 0.066 -14.829
260 HA2 GLY 15 2HA GLY 15 -0.095 -2.024 -15.038
261 HA3 GLY 15 3HA GLY 15 1.480 -2.028 -15.818
262 H GLY 16 H GLY 16 2.992 -2.094 -13.347
263 HA2 GLY 16 2HA GLY 16 2.946 -4.939 -12.941
264 HA3 GLY 16 3HA GLY 16 4.044 -3.794 -12.185
Start of MODEL 4
1 H1 VAL 1 H VAL 1 0.340 -1.694 -1.210
2 HA VAL 1 HA VAL 1 1.206 -1.645 -4.015
3 HB VAL 1 HB VAL 1 1.054 0.684 -3.385
4 HG11 VAL 1 1HG1 VAL 1 2.255 1.618 -1.503
5 HG12 VAL 1 2HG1 VAL 1 1.160 0.352 -0.943
6 HG13 VAL 1 3HG1 VAL 1 2.889 0.027 -1.083
7 HG21 VAL 1 3HG2 VAL 1 3.066 1.295 -4.243
8 HG22 VAL 1 1HG2 VAL 1 3.975 0.273 -3.129
9 HG23 VAL 1 2HG2 VAL 1 3.185 -0.440 -4.536
10 H ALA 2 H ALA 2 3.267 -2.430 -4.398
11 HA ALA 2 HA ALA 2 4.271 -4.296 -2.498
12 HB1 ALA 2 1HB ALA 2 4.559 -3.835 -5.257
13 HB2 ALA 2 2HB ALA 2 6.179 -3.758 -4.562
14 HB3 ALA 2 3HB ALA 2 5.180 -5.190 -4.314
15 H ARG 3 H ARG 3 6.123 -1.719 -4.115
16 HA ARG 3 HA ARG 3 7.450 -1.188 -1.537
17 HB2 ARG 3 2HB ARG 3 8.680 -1.009 -4.294
18 HB3 ARG 3 3HB ARG 3 9.497 -0.686 -2.770
19 HG2 ARG 3 2HG ARG 3 8.299 -3.354 -3.469
20 HG3 ARG 3 3HG ARG 3 9.976 -2.916 -3.803
21 HD2 ARG 3 2HD ARG 3 9.408 -2.254 -1.100
22 HD3 ARG 3 3HD ARG 3 8.842 -3.899 -1.391
23 HE ARG 3 HE ARG 3 11.561 -3.003 -1.279
24 HH11 ARG 3 1HH1 ARG 3 9.413 -5.392 -2.619
25 HH12 ARG 3 2HH1 ARG 3 10.655 -6.582 -2.827
26 HH21 ARG 3 1HH2 ARG 3 13.205 -4.561 -1.548
27 HH22 ARG 3 2HH2 ARG 3 12.812 -6.108 -2.217
28 H GLY 4 H GLY 4 8.797 0.830 -3.695
29 HA2 GLY 4 2HA GLY 4 6.751 2.923 -3.293
30 HA3 GLY 4 3HA GLY 4 8.456 3.225 -2.992
31 H TRP 5 H TRP 5 5.987 2.843 -5.401
32 HA TRP 5 HA TRP 5 7.621 2.811 -7.696
33 HB2 TRP 5 2HB TRP 5 4.881 4.057 -7.611
34 HB3 TRP 5 3HB TRP 5 5.653 3.193 -8.938
35 HD1 TRP 5 HD1 TRP 5 2.787 2.565 -7.251
36 HE1 TRP 5 HE1 TRP 5 2.419 0.114 -6.557
37 HE3 TRP 5 HE3 TRP 5 7.605 0.893 -7.594
38 HZ2 TRP 5 HZ2 TRP 5 3.967 -2.219 -6.202
39 HZ3 TRP 5 HZ3 TRP 5 8.077 -1.462 -7.060
40 HH2 TRP 5 HH2 TRP 5 6.294 -2.984 -6.378
41 H LYS 6 H LYS 6 9.223 4.334 -7.682
42 HA LYS 6 HA LYS 6 8.371 7.154 -7.615
43 HB2 LYS 6 2HB LYS 6 11.089 5.972 -7.015
44 HB3 LYS 6 3HB LYS 6 10.702 7.688 -6.997
45 HG2 LYS 6 2HG LYS 6 9.505 5.597 -5.190
46 HG3 LYS 6 3HG LYS 6 10.763 6.753 -4.748
47 HD2 LYS 6 2HD LYS 6 8.958 8.483 -5.639
48 HD3 LYS 6 3HD LYS 6 7.855 7.177 -5.198
49 HE2 LYS 6 2HE LYS 6 8.825 7.149 -2.938
50 HE3 LYS 6 3HE LYS 6 9.885 8.484 -3.388
51 HZ1 LYS 6 3HZ LYS 6 8.239 9.736 -2.568
52 HZ2 LYS 6 1HZ LYS 6 7.081 8.508 -2.693
53 HZ3 LYS 6 2HZ LYS 6 7.468 9.447 -4.046
54 H ARG 7 H ARG 7 11.510 6.994 -8.591
55 HA ARG 7 HA ARG 7 10.803 7.626 -11.323
56 HB2 ARG 7 2HB ARG 7 13.207 7.901 -9.610
57 HB3 ARG 7 3HB ARG 7 13.492 7.721 -11.335
58 HG2 ARG 7 2HG ARG 7 13.302 9.957 -11.326
59 HG3 ARG 7 3HG ARG 7 11.573 9.605 -11.373
60 HD2 ARG 7 2HD ARG 7 11.822 11.175 -9.648
61 HD3 ARG 7 3HD ARG 7 11.667 9.622 -8.828
62 HE ARG 7 HE ARG 7 14.392 10.325 -9.311
63 HH11 ARG 7 1HH1 ARG 7 11.680 10.864 -7.195
64 HH12 ARG 7 2HH1 ARG 7 12.661 11.285 -5.831
65 HH21 ARG 7 1HH2 ARG 7 15.695 10.879 -7.522
66 HH22 ARG 7 2HH2 ARG 7 14.945 11.294 -6.019
67 H LYS 8 H LYS 8 13.619 5.749 -10.306
68 HA LYS 8 HA LYS 8 13.512 4.070 -12.583
69 HB2 LYS 8 2HB LYS 8 15.148 4.206 -10.101
70 HB3 LYS 8 3HB LYS 8 15.151 2.688 -10.990
71 HG2 LYS 8 2HG LYS 8 16.975 3.837 -11.848
72 HG3 LYS 8 3HG LYS 8 15.708 4.119 -13.044
73 HD2 LYS 8 2HD LYS 8 15.482 6.329 -12.485
74 HD3 LYS 8 3HD LYS 8 16.004 6.072 -10.819
75 HE2 LYS 8 2HE LYS 8 17.881 5.792 -13.149
76 HE3 LYS 8 3HE LYS 8 17.589 7.342 -12.363
77 HZ1 LYS 8 3HZ LYS 8 18.985 6.790 -10.754
78 HZ2 LYS 8 1HZ LYS 8 19.364 5.364 -11.582
79 HZ3 LYS 8 2HZ LYS 8 18.134 5.366 -10.422
80 H CYS 9 H CYS 9 11.317 3.288 -12.467
81 HA CYS 9 HA CYS 9 10.012 1.938 -10.540
82 HB2 CYS 9 2HB CYS 9 9.258 0.346 -12.485
83 HB3 CYS 9 3HB CYS 9 8.829 2.053 -12.525
84 HA PRO 10 HA PRO 10 13.114 -1.209 -9.582
85 HB2 PRO 10 2HB PRO 10 12.035 -1.840 -7.172
86 HB3 PRO 10 3HB PRO 10 13.085 -0.439 -7.417
87 HG2 PRO 10 2HG PRO 10 10.097 -0.565 -7.274
88 HG3 PRO 10 3HG PRO 10 11.204 0.612 -6.544
89 HD2 PRO 10 2HD PRO 10 9.830 1.122 -8.821
90 HD3 PRO 10 3HD PRO 10 11.443 1.795 -8.508
91 H LEU 11 H LEU 11 9.671 -1.657 -8.739
92 HA LEU 11 HA LEU 11 9.878 -4.451 -9.606
93 HB2 LEU 11 2HB LEU 11 8.953 -3.730 -7.319
94 HB3 LEU 11 3HB LEU 11 7.522 -3.223 -8.214
95 HG LEU 11 HG LEU 11 8.552 -6.029 -8.437
96 HD11 LEU 11 1HD1 LEU 11 7.372 -6.739 -6.557
97 HD12 LEU 11 2HD1 LEU 11 6.493 -5.217 -6.415
98 HD13 LEU 11 3HD1 LEU 11 8.207 -5.286 -6.008
99 HD21 LEU 11 3HD2 LEU 11 6.344 -4.531 -9.458
100 HD22 LEU 11 1HD2 LEU 11 5.741 -5.827 -8.424
101 HD23 LEU 11 2HD2 LEU 11 6.799 -6.204 -9.784
102 H PHE 12 H PHE 12 7.362 -1.922 -9.719
103 HA PHE 12 HA PHE 12 6.028 -3.044 -11.938
104 HB2 PHE 12 2HB PHE 12 4.651 -1.123 -11.907
105 HB3 PHE 12 3HB PHE 12 5.113 -1.380 -10.228
106 HD1 PHE 12 HD1 PHE 12 7.528 -0.164 -9.726
107 HD2 PHE 12 HD2 PHE 12 4.577 1.069 -12.535
108 HE1 PHE 12 HE1 PHE 12 8.384 2.140 -9.609
109 HE2 PHE 12 HE2 PHE 12 5.430 3.375 -12.423
110 HZ PHE 12 HZ PHE 12 7.336 3.912 -10.960
111 H GLY 13 H GLY 13 7.897 -3.439 -13.336
112 HA2 GLY 13 2HA GLY 13 8.533 -1.042 -14.941
113 HA3 GLY 13 3HA GLY 13 9.754 -2.245 -14.555
114 H LYS 14 H LYS 14 10.099 -3.795 -16.000
115 HA LYS 14 HA LYS 14 9.041 -3.881 -18.513
116 HB2 LYS 14 2HB LYS 14 10.027 -6.255 -16.919
117 HB3 LYS 14 3HB LYS 14 9.870 -6.195 -18.670
118 HG2 LYS 14 2HG LYS 14 11.704 -4.486 -17.002
119 HG3 LYS 14 3HG LYS 14 12.177 -5.876 -17.980
120 HD2 LYS 14 2HD LYS 14 10.890 -4.419 -19.839
121 HD3 LYS 14 3HD LYS 14 11.481 -3.123 -18.796
122 HE2 LYS 14 2HE LYS 14 13.349 -3.300 -20.034
123 HE3 LYS 14 3HE LYS 14 13.692 -4.678 -18.989
124 HZ1 LYS 14 3HZ LYS 14 12.101 -5.089 -21.424
125 HZ2 LYS 14 1HZ LYS 14 13.119 -6.169 -20.611
126 HZ3 LYS 14 2HZ LYS 14 13.781 -4.933 -21.557
127 H GLY 15 H GLY 15 7.627 -5.104 -15.594
128 HA2 GLY 15 2HA GLY 15 5.924 -7.049 -16.108
129 HA3 GLY 15 3HA GLY 15 5.349 -5.590 -15.314
130 H GLY 16 H GLY 16 5.315 -3.752 -17.317
131 HA2 GLY 16 2HA GLY 16 4.023 -3.005 -19.060
132 HA3 GLY 16 3HA GLY 16 4.269 -4.589 -19.779
133 H1 VAL 1 H VAL 1 11.480 -2.492 -29.476
134 HA VAL 1 HA VAL 1 10.248 -2.611 -26.809
135 HB VAL 1 HB VAL 1 12.239 -0.621 -27.908
136 HG11 VAL 1 1HG1 VAL 1 12.301 -0.357 -25.206
137 HG12 VAL 1 2HG1 VAL 1 11.373 0.679 -26.292
138 HG13 VAL 1 3HG1 VAL 1 10.590 -0.678 -25.481
139 HG21 VAL 1 3HG2 VAL 1 12.716 -2.661 -25.754
140 HG22 VAL 1 1HG2 VAL 1 13.020 -3.002 -27.457
141 HG23 VAL 1 2HG2 VAL 1 13.901 -1.707 -26.646
142 H ALA 2 H ALA 2 8.791 -1.048 -26.129
143 HA ALA 2 HA ALA 2 7.143 0.080 -28.173
144 HB1 ALA 2 1HB ALA 2 5.605 0.070 -26.571
145 HB2 ALA 2 2HB ALA 2 6.819 -0.615 -25.490
146 HB3 ALA 2 3HB ALA 2 6.578 1.131 -25.552
147 H ARG 3 H ARG 3 8.626 1.714 -25.370
148 HA ARG 3 HA ARG 3 9.144 4.027 -27.122
149 HB2 ARG 3 2HB ARG 3 8.428 4.058 -24.184
150 HB3 ARG 3 3HB ARG 3 8.786 5.471 -25.167
151 HG2 ARG 3 2HG ARG 3 6.803 5.280 -26.380
152 HG3 ARG 3 3HG ARG 3 6.554 3.606 -25.878
153 HD2 ARG 3 2HD ARG 3 6.469 4.668 -23.482
154 HD3 ARG 3 3HD ARG 3 6.073 6.137 -24.374
155 HE ARG 3 HE ARG 3 4.375 3.878 -23.935
156 HH11 ARG 3 1HH1 ARG 3 5.090 6.494 -26.117
157 HH12 ARG 3 2HH1 ARG 3 3.491 6.549 -26.783
158 HH21 ARG 3 1HH2 ARG 3 2.267 3.940 -24.803
159 HH22 ARG 3 2HH2 ARG 3 1.886 5.096 -26.034
160 H GLY 4 H GLY 4 10.222 4.758 -24.116
161 HA2 GLY 4 2HA GLY 4 12.892 3.593 -24.591
162 HA3 GLY 4 3HA GLY 4 12.700 5.304 -24.239
163 H TRP 5 H TRP 5 12.440 2.058 -22.938
164 HA TRP 5 HA TRP 5 11.588 2.656 -20.353
165 HB2 TRP 5 2HB TRP 5 13.600 0.495 -20.949
166 HB3 TRP 5 3HB TRP 5 12.320 0.497 -19.740
167 HD1 TRP 5 HD1 TRP 5 12.877 -1.610 -22.303
168 HE1 TRP 5 HE1 TRP 5 10.828 -2.194 -23.747
169 HE3 TRP 5 HE3 TRP 5 9.853 2.315 -21.045
170 HZ2 TRP 5 HZ2 TRP 5 8.268 -1.131 -24.282
171 HZ3 TRP 5 HZ3 TRP 5 7.619 2.458 -22.068
172 HH2 TRP 5 HH2 TRP 5 6.846 0.770 -23.653
173 H LYS 6 H LYS 6 12.527 4.433 -19.432
174 HA LYS 6 HA LYS 6 15.412 4.230 -18.859
175 HB2 LYS 6 2HB LYS 6 13.737 6.711 -19.280
176 HB3 LYS 6 3HB LYS 6 15.402 6.724 -18.714
177 HG2 LYS 6 2HG LYS 6 14.420 5.736 -21.383
178 HG3 LYS 6 3HG LYS 6 15.333 7.214 -21.070
179 HD2 LYS 6 2HD LYS 6 17.163 5.746 -20.142
180 HD3 LYS 6 3HD LYS 6 16.268 4.365 -20.780
181 HE2 LYS 6 2HE LYS 6 16.334 5.558 -23.024
182 HE3 LYS 6 3HE LYS 6 17.522 6.639 -22.298
183 HZ1 LYS 6 3HZ LYS 6 19.066 4.956 -22.108
184 HZ2 LYS 6 1HZ LYS 6 18.325 4.575 -23.581
185 HZ3 LYS 6 2HZ LYS 6 17.912 3.722 -22.181
186 H ARG 7 H ARG 7 14.099 6.876 -17.358
187 HA ARG 7 HA ARG 7 14.202 5.573 -14.775
188 HB2 ARG 7 2HB ARG 7 13.851 8.446 -15.626
189 HB3 ARG 7 3HB ARG 7 13.772 7.936 -13.945
190 HG2 ARG 7 2HG ARG 7 15.963 8.303 -13.889
191 HG3 ARG 7 3HG ARG 7 16.122 6.811 -14.819
192 HD2 ARG 7 2HD ARG 7 17.336 8.347 -16.070
193 HD3 ARG 7 3HD ARG 7 15.769 8.319 -16.878
194 HE ARG 7 HE ARG 7 15.798 10.348 -14.920
195 HH11 ARG 7 1HH1 ARG 7 17.117 9.574 -18.048
196 HH12 ARG 7 2HH1 ARG 7 17.268 11.229 -18.539
197 HH21 ARG 7 1HH2 ARG 7 15.992 12.530 -15.554
198 HH22 ARG 7 2HH2 ARG 7 16.628 12.910 -17.119
199 H LYS 8 H LYS 8 11.924 8.112 -15.676
200 HA LYS 8 HA LYS 8 9.826 7.023 -14.142
201 HB2 LYS 8 2HB LYS 8 9.782 9.358 -14.534
202 HB3 LYS 8 3HB LYS 8 9.918 9.147 -16.275
203 HG2 LYS 8 2HG LYS 8 7.566 7.822 -15.298
204 HG3 LYS 8 3HG LYS 8 7.589 9.506 -14.772
205 HD2 LYS 8 2HD LYS 8 8.420 9.306 -17.519
206 HD3 LYS 8 3HD LYS 8 6.861 8.509 -17.291
207 HE2 LYS 8 2HE LYS 8 6.426 10.789 -17.826
208 HE3 LYS 8 3HE LYS 8 6.080 10.575 -16.110
209 HZ1 LYS 8 3HZ LYS 8 7.343 12.617 -16.623
210 HZ2 LYS 8 1HZ LYS 8 8.628 11.664 -17.174
211 HZ3 LYS 8 2HZ LYS 8 8.155 11.590 -15.552
212 H CYS 9 H CYS 9 9.667 4.838 -14.851
213 HA CYS 9 HA CYS 9 9.318 3.802 -17.325
214 HB2 CYS 9 2HB CYS 9 7.684 3.082 -14.883
215 HB3 CYS 9 3HB CYS 9 7.879 2.073 -16.312
216 HA PRO 10 HA PRO 10 5.787 6.304 -18.646
217 HB2 PRO 10 2HB PRO 10 6.142 5.787 -21.287
218 HB3 PRO 10 3HB PRO 10 7.071 7.011 -20.415
219 HG2 PRO 10 2HG PRO 10 7.842 4.212 -21.145
220 HG3 PRO 10 3HG PRO 10 8.804 5.698 -21.240
221 HD2 PRO 10 2HD PRO 10 9.070 3.917 -19.218
222 HD3 PRO 10 3HD PRO 10 9.314 5.661 -18.992
223 H LEU 11 H LEU 11 6.562 3.214 -20.266
224 HA LEU 11 HA LEU 11 3.700 2.547 -20.200
225 HB2 LEU 11 2HB LEU 11 5.000 2.605 -22.386
226 HB3 LEU 11 3HB LEU 11 5.822 1.155 -21.811
227 HG LEU 11 HG LEU 11 3.938 0.759 -23.416
228 HD11 LEU 11 1HD1 LEU 11 3.741 -1.269 -22.520
229 HD12 LEU 11 2HD1 LEU 11 2.976 -0.640 -21.061
230 HD13 LEU 11 3HD1 LEU 11 4.734 -0.666 -21.193
231 HD21 LEU 11 3HD2 LEU 11 1.708 1.093 -22.806
232 HD22 LEU 11 1HD2 LEU 11 2.515 2.582 -22.311
233 HD23 LEU 11 2HD2 LEU 11 2.115 1.355 -21.109
234 H PHE 12 H PHE 12 6.779 0.744 -20.098
235 HA PHE 12 HA PHE 12 5.694 -1.454 -18.700
236 HB2 PHE 12 2HB PHE 12 7.892 -2.304 -18.604
237 HB3 PHE 12 3HB PHE 12 7.843 -1.363 -20.090
238 HD1 PHE 12 HD1 PHE 12 8.228 1.352 -19.244
239 HD2 PHE 12 HD2 PHE 12 10.021 -2.207 -17.748
240 HE1 PHE 12 HE1 PHE 12 10.171 2.655 -18.483
241 HE2 PHE 12 HE2 PHE 12 11.967 -0.909 -16.984
242 HZ PHE 12 HZ PHE 12 12.043 1.525 -17.350
243 H GLY 13 H GLY 13 4.530 -0.169 -17.039
244 HA2 GLY 13 2HA GLY 13 6.303 0.356 -14.734
245 HA3 GLY 13 3HA GLY 13 4.908 1.364 -15.091
246 H LYS 14 H LYS 14 2.996 0.842 -14.220
247 HA LYS 14 HA LYS 14 2.662 -0.813 -12.105
248 HB2 LYS 14 2HB LYS 14 0.618 -0.149 -14.230
249 HB3 LYS 14 3HB LYS 14 0.224 -0.875 -12.678
250 HG2 LYS 14 2HG LYS 14 -0.065 1.213 -11.964
251 HG3 LYS 14 3HG LYS 14 1.697 1.319 -11.950
252 HD2 LYS 14 2HD LYS 14 1.199 1.868 -14.546
253 HD3 LYS 14 3HD LYS 14 -0.264 2.514 -13.801
254 HE2 LYS 14 2HE LYS 14 2.316 3.189 -12.513
255 HE3 LYS 14 3HE LYS 14 1.983 3.937 -14.074
256 HZ1 LYS 14 3HZ LYS 14 0.517 4.226 -11.535
257 HZ2 LYS 14 1HZ LYS 14 -0.271 4.510 -13.005
258 HZ3 LYS 14 2HZ LYS 14 1.085 5.428 -12.582
259 H GLY 15 H GLY 15 2.704 -1.738 -15.468
260 HA2 GLY 15 2HA GLY 15 1.467 -4.136 -15.609
261 HA3 GLY 15 3HA GLY 15 3.022 -3.844 -16.374
262 H GLY 16 H GLY 16 4.413 -3.475 -13.821
263 HA2 GLY 16 2HA GLY 16 4.608 -4.997 -11.824
264 HA3 GLY 16 3HA GLY 16 4.460 -6.309 -12.984
Start of MODEL 5
1 H1 VAL 1 H VAL 1 0.242 0.508 -0.234
2 HA VAL 1 HA VAL 1 1.323 -0.286 -2.305
3 HB VAL 1 HB VAL 1 1.666 2.059 -1.817
4 HG11 VAL 1 1HG1 VAL 1 3.570 2.847 -0.511
5 HG12 VAL 1 2HG1 VAL 1 2.515 1.824 0.467
6 HG13 VAL 1 3HG1 VAL 1 4.032 1.181 -0.163
7 HG21 VAL 1 3HG2 VAL 1 4.433 1.234 -2.494
8 HG22 VAL 1 1HG2 VAL 1 3.131 0.639 -3.524
9 HG23 VAL 1 2HG2 VAL 1 3.360 2.374 -3.305
10 H ALA 2 H ALA 2 3.020 -1.379 -3.260
11 HA ALA 2 HA ALA 2 4.283 -3.385 -1.758
12 HB1 ALA 2 1HB ALA 2 5.743 -2.956 -4.156
13 HB2 ALA 2 2HB ALA 2 4.566 -4.218 -3.792
14 HB3 ALA 2 3HB ALA 2 4.033 -2.691 -4.494
15 H ARG 3 H ARG 3 6.093 -1.011 -3.684
16 HA ARG 3 HA ARG 3 7.977 -0.755 -1.432
17 HB2 ARG 3 2HB ARG 3 8.561 -0.777 -4.398
18 HB3 ARG 3 3HB ARG 3 9.745 -0.390 -3.156
19 HG2 ARG 3 2HG ARG 3 10.188 -2.607 -3.588
20 HG3 ARG 3 3HG ARG 3 9.120 -2.708 -2.186
21 HD2 ARG 3 2HD ARG 3 7.444 -3.655 -3.368
22 HD3 ARG 3 3HD ARG 3 7.785 -2.702 -4.812
23 HE ARG 3 HE ARG 3 9.852 -4.376 -4.808
24 HH11 ARG 3 1HH1 ARG 3 6.459 -4.964 -4.297
25 HH12 ARG 3 2HH1 ARG 3 6.508 -6.572 -4.941
26 HH21 ARG 3 1HH2 ARG 3 9.929 -6.491 -5.659
27 HH22 ARG 3 2HH2 ARG 3 8.482 -7.439 -5.715
28 H GLY 4 H GLY 4 9.130 1.135 -3.806
29 HA2 GLY 4 2HA GLY 4 7.501 3.469 -3.021
30 HA3 GLY 4 3HA GLY 4 9.257 3.531 -2.984
31 H TRP 5 H TRP 5 6.422 3.604 -4.974
32 HA TRP 5 HA TRP 5 7.649 3.418 -7.503
33 HB2 TRP 5 2HB TRP 5 5.189 5.066 -6.957
34 HB3 TRP 5 3HB TRP 5 5.596 4.149 -8.404
35 HD1 TRP 5 HD1 TRP 5 2.934 3.881 -6.383
36 HE1 TRP 5 HE1 TRP 5 2.309 1.498 -5.639
37 HE3 TRP 5 HE3 TRP 5 7.393 1.552 -7.293
38 HZ2 TRP 5 HZ2 TRP 5 3.543 -1.034 -5.460
39 HZ3 TRP 5 HZ3 TRP 5 7.588 -0.853 -6.807
40 HH2 TRP 5 HH2 TRP 5 5.702 -2.117 -5.910
41 H LYS 6 H LYS 6 9.510 4.677 -7.542
42 HA LYS 6 HA LYS 6 9.065 7.591 -7.500
43 HB2 LYS 6 2HB LYS 6 11.613 6.069 -6.919
44 HB3 LYS 6 3HB LYS 6 11.455 7.821 -6.937
45 HG2 LYS 6 2HG LYS 6 10.574 7.883 -4.885
46 HG3 LYS 6 3HG LYS 6 9.547 6.477 -5.177
47 HD2 LYS 6 2HD LYS 6 11.104 5.911 -3.450
48 HD3 LYS 6 3HD LYS 6 11.573 5.039 -4.911
49 HE2 LYS 6 2HE LYS 6 13.363 6.535 -5.334
50 HE3 LYS 6 3HE LYS 6 12.783 7.679 -4.125
51 HZ1 LYS 6 3HZ LYS 6 14.446 6.635 -2.985
52 HZ2 LYS 6 1HZ LYS 6 14.209 5.144 -3.749
53 HZ3 LYS 6 2HZ LYS 6 13.139 5.655 -2.543
54 H ARG 7 H ARG 7 12.130 6.975 -8.528
55 HA ARG 7 HA ARG 7 11.472 7.649 -11.255
56 HB2 ARG 7 2HB ARG 7 14.072 7.268 -9.779
57 HB3 ARG 7 3HB ARG 7 14.012 7.563 -11.512
58 HG2 ARG 7 2HG ARG 7 14.054 9.727 -11.040
59 HG3 ARG 7 3HG ARG 7 12.409 9.547 -10.427
60 HD2 ARG 7 2HD ARG 7 13.676 8.750 -8.256
61 HD3 ARG 7 3HD ARG 7 14.988 9.701 -8.949
62 HE ARG 7 HE ARG 7 12.543 10.692 -7.797
63 HH11 ARG 7 1HH1 ARG 7 15.188 11.371 -9.956
64 HH12 ARG 7 2HH1 ARG 7 15.027 13.091 -9.823
65 HH21 ARG 7 1HH2 ARG 7 12.320 12.955 -7.613
66 HH22 ARG 7 2HH2 ARG 7 13.396 13.991 -8.489
67 H LYS 8 H LYS 8 14.003 5.374 -10.340
68 HA LYS 8 HA LYS 8 13.559 3.701 -12.560
69 HB2 LYS 8 2HB LYS 8 15.234 3.601 -10.111
70 HB3 LYS 8 3HB LYS 8 14.941 2.073 -10.932
71 HG2 LYS 8 2HG LYS 8 16.993 3.003 -11.735
72 HG3 LYS 8 3HG LYS 8 15.792 3.088 -13.025
73 HD2 LYS 8 2HD LYS 8 15.579 5.385 -12.854
74 HD3 LYS 8 3HD LYS 8 16.170 5.418 -11.191
75 HE2 LYS 8 2HE LYS 8 17.922 4.640 -13.506
76 HE3 LYS 8 3HE LYS 8 17.726 6.317 -12.998
77 HZ1 LYS 8 3HZ LYS 8 18.456 5.592 -10.749
78 HZ2 LYS 8 1HZ LYS 8 19.649 5.452 -11.940
79 HZ3 LYS 8 2HZ LYS 8 18.828 4.076 -11.399
80 H CYS 9 H CYS 9 11.288 3.261 -12.463
81 HA CYS 9 HA CYS 9 9.772 2.189 -10.505
82 HB2 CYS 9 2HB CYS 9 9.812 1.166 -13.352
83 HB3 CYS 9 3HB CYS 9 8.470 1.038 -12.219
84 HA PRO 10 HA PRO 10 12.309 -1.419 -9.505
85 HB2 PRO 10 2HB PRO 10 11.152 -1.823 -7.082
86 HB3 PRO 10 3HB PRO 10 12.421 -0.623 -7.352
87 HG2 PRO 10 2HG PRO 10 9.455 -0.242 -7.199
88 HG3 PRO 10 3HG PRO 10 10.748 0.743 -6.490
89 HD2 PRO 10 2HD PRO 10 9.468 1.442 -8.772
90 HD3 PRO 10 3HD PRO 10 11.172 1.839 -8.473
91 H LEU 11 H LEU 11 8.893 -1.358 -8.459
92 HA LEU 11 HA LEU 11 8.609 -4.110 -9.426
93 HB2 LEU 11 2HB LEU 11 7.974 -3.408 -7.064
94 HB3 LEU 11 3HB LEU 11 6.614 -2.560 -7.797
95 HG LEU 11 HG LEU 11 6.076 -4.807 -6.833
96 HD11 LEU 11 1HD1 LEU 11 5.444 -5.228 -9.638
97 HD12 LEU 11 2HD1 LEU 11 5.147 -3.572 -9.112
98 HD13 LEU 11 3HD1 LEU 11 4.377 -4.916 -8.269
99 HD21 LEU 11 3HD2 LEU 11 7.138 -6.192 -9.191
100 HD22 LEU 11 1HD2 LEU 11 7.070 -6.703 -7.504
101 HD23 LEU 11 2HD2 LEU 11 8.362 -5.634 -8.050
102 H PHE 12 H PHE 12 6.511 -1.225 -9.293
103 HA PHE 12 HA PHE 12 4.868 -2.056 -11.432
104 HB2 PHE 12 2HB PHE 12 3.790 0.027 -11.234
105 HB3 PHE 12 3HB PHE 12 4.365 -0.321 -9.607
106 HD1 PHE 12 HD2 PHE 12 7.059 0.486 -9.492
107 HD2 PHE 12 HD1 PHE 12 3.876 2.266 -11.687
108 HE1 PHE 12 HE2 PHE 12 8.241 2.643 -9.449
109 HE2 PHE 12 HE1 PHE 12 5.054 4.426 -11.649
110 HZ PHE 12 HZ PHE 12 7.238 4.617 -10.528
111 H GLY 13 H GLY 13 6.636 -2.680 -12.923
112 HA2 GLY 13 2HA GLY 13 7.474 -0.352 -14.539
113 HA3 GLY 13 3HA GLY 13 8.539 -1.720 -14.252
114 H LYS 14 H LYS 14 8.553 -3.304 -15.710
115 HA LYS 14 HA LYS 14 7.347 -3.170 -18.162
116 HB2 LYS 14 2HB LYS 14 8.077 -5.706 -16.683
117 HB3 LYS 14 3HB LYS 14 7.856 -5.556 -18.422
118 HG2 LYS 14 2HG LYS 14 9.917 -4.768 -18.725
119 HG3 LYS 14 3HG LYS 14 9.792 -3.663 -17.354
120 HD2 LYS 14 2HD LYS 14 10.040 -5.823 -15.928
121 HD3 LYS 14 3HD LYS 14 10.693 -6.517 -17.414
122 HE2 LYS 14 2HE LYS 14 11.736 -3.894 -16.449
123 HE3 LYS 14 3HE LYS 14 12.268 -5.374 -15.652
124 HZ1 LYS 14 3HZ LYS 14 13.736 -5.596 -17.279
125 HZ2 LYS 14 1HZ LYS 14 13.080 -4.300 -18.146
126 HZ3 LYS 14 2HZ LYS 14 12.462 -5.859 -18.360
127 H GLY 15 H GLY 15 5.935 -4.157 -15.175
128 HA2 GLY 15 2HA GLY 15 3.938 -5.876 -15.718
129 HA3 GLY 15 3HA GLY 15 3.687 -4.467 -14.699
130 H GLY 16 H GLY 16 4.069 -2.540 -16.833
131 HA2 GLY 16 2HA GLY 16 1.395 -2.387 -17.756
132 HA3 GLY 16 3HA GLY 16 2.724 -1.360 -18.275
133 H1 VAL 1 H VAL 1 8.524 -2.421 -29.239
134 HA VAL 1 HA VAL 1 8.307 -2.282 -26.398
135 HB VAL 1 HB VAL 1 10.711 -2.027 -26.485
136 HG11 VAL 1 1HG1 VAL 1 11.007 -1.320 -28.765
137 HG12 VAL 1 2HG1 VAL 1 10.167 0.198 -28.445
138 HG13 VAL 1 3HG1 VAL 1 11.732 -0.119 -27.697
139 HG21 VAL 1 3HG2 VAL 1 10.785 -0.324 -25.001
140 HG22 VAL 1 1HG2 VAL 1 9.965 0.798 -26.086
141 HG23 VAL 1 2HG2 VAL 1 9.030 -0.384 -25.170
142 H ALA 2 H ALA 2 7.165 -0.478 -25.710
143 HA ALA 2 HA ALA 2 5.608 0.837 -27.713
144 HB1 ALA 2 1HB ALA 2 5.387 2.043 -25.100
145 HB2 ALA 2 2HB ALA 2 4.183 1.155 -26.036
146 HB3 ALA 2 3HB ALA 2 5.315 0.283 -25.002
147 H ARG 3 H ARG 3 7.513 2.286 -25.067
148 HA ARG 3 HA ARG 3 8.278 4.435 -26.933
149 HB2 ARG 3 2HB ARG 3 7.800 4.661 -23.956
150 HB3 ARG 3 3HB ARG 3 8.296 5.970 -25.020
151 HG2 ARG 3 2HG ARG 3 6.220 6.112 -26.031
152 HG3 ARG 3 3HG ARG 3 5.766 4.474 -25.554
153 HD2 ARG 3 2HD ARG 3 4.601 6.301 -24.297
154 HD3 ARG 3 3HD ARG 3 5.457 5.135 -23.289
155 HE ARG 3 HE ARG 3 6.864 6.809 -22.600
156 HH11 ARG 3 1HH1 ARG 3 5.084 7.876 -25.395
157 HH12 ARG 3 2HH1 ARG 3 5.627 9.517 -25.277
158 HH21 ARG 3 1HH2 ARG 3 7.586 8.966 -22.433
159 HH22 ARG 3 2HH2 ARG 3 7.051 10.135 -23.592
160 H GLY 4 H GLY 4 9.683 5.078 -24.055
161 HA2 GLY 4 2HA GLY 4 12.080 3.459 -24.647
162 HA3 GLY 4 3HA GLY 4 12.201 5.190 -24.367
163 H TRP 5 H TRP 5 11.350 2.109 -22.878
164 HA TRP 5 HA TRP 5 10.845 2.921 -20.288
165 HB2 TRP 5 2HB TRP 5 12.451 0.446 -20.897
166 HB3 TRP 5 3HB TRP 5 11.270 0.698 -19.615
167 HD1 TRP 5 HD1 TRP 5 11.318 -1.567 -22.103
168 HE1 TRP 5 HE1 TRP 5 9.112 -1.871 -23.393
169 HE3 TRP 5 HE3 TRP 5 9.037 2.836 -20.858
170 HZ2 TRP 5 HZ2 TRP 5 6.721 -0.434 -23.826
171 HZ3 TRP 5 HZ3 TRP 5 6.791 3.295 -21.752
172 HH2 TRP 5 HH2 TRP 5 5.659 1.693 -23.205
173 H LYS 6 H LYS 6 12.080 4.492 -19.395
174 HA LYS 6 HA LYS 6 14.957 3.923 -19.095
175 HB2 LYS 6 2HB LYS 6 13.572 6.607 -19.250
176 HB3 LYS 6 3HB LYS 6 15.282 6.378 -18.910
177 HG2 LYS 6 2HG LYS 6 15.792 6.015 -21.062
178 HG3 LYS 6 3HG LYS 6 14.330 5.071 -21.358
179 HD2 LYS 6 2HD LYS 6 13.343 6.825 -22.303
180 HD3 LYS 6 3HD LYS 6 13.626 7.804 -20.862
181 HE2 LYS 6 2HE LYS 6 16.082 7.880 -21.878
182 HE3 LYS 6 3HE LYS 6 15.193 7.611 -23.377
183 HZ1 LYS 6 3HZ LYS 6 13.817 9.555 -22.814
184 HZ2 LYS 6 1HZ LYS 6 15.450 9.952 -23.005
185 HZ3 LYS 6 2HZ LYS 6 14.784 9.837 -21.455
186 H ARG 7 H ARG 7 14.111 6.645 -17.404
187 HA ARG 7 HA ARG 7 14.264 5.221 -14.879
188 HB2 ARG 7 2HB ARG 7 14.034 7.808 -14.148
189 HB3 ARG 7 3HB ARG 7 15.561 7.054 -14.585
190 HG2 ARG 7 2HG ARG 7 15.588 8.040 -16.692
191 HG3 ARG 7 3HG ARG 7 13.860 8.396 -16.649
192 HD2 ARG 7 2HD ARG 7 14.409 9.930 -14.680
193 HD3 ARG 7 3HD ARG 7 16.093 9.758 -15.172
194 HE ARG 7 HE ARG 7 14.351 10.554 -17.311
195 HH11 ARG 7 1HH1 ARG 7 16.269 11.665 -14.627
196 HH12 ARG 7 2HH1 ARG 7 16.485 13.258 -15.271
197 HH21 ARG 7 1HH2 ARG 7 14.628 12.649 -18.171
198 HH22 ARG 7 2HH2 ARG 7 15.550 13.817 -17.287
199 H LYS 8 H LYS 8 12.337 8.108 -15.547
200 HA LYS 8 HA LYS 8 10.233 7.293 -13.842
201 HB2 LYS 8 2HB LYS 8 10.676 9.533 -15.759
202 HB3 LYS 8 3HB LYS 8 9.030 9.216 -15.228
203 HG2 LYS 8 2HG LYS 8 9.771 10.801 -13.719
204 HG3 LYS 8 3HG LYS 8 10.019 9.286 -12.849
205 HD2 LYS 8 2HD LYS 8 12.003 10.477 -12.506
206 HD3 LYS 8 3HD LYS 8 12.397 9.348 -13.805
207 HE2 LYS 8 2HE LYS 8 12.759 10.998 -15.274
208 HE3 LYS 8 3HE LYS 8 11.323 11.885 -14.764
209 HZ1 LYS 8 3HZ LYS 8 13.909 12.595 -14.274
210 HZ2 LYS 8 1HZ LYS 8 13.396 11.949 -12.796
211 HZ3 LYS 8 2HZ LYS 8 12.542 13.227 -13.502
212 H CYS 9 H CYS 9 9.869 5.137 -14.760
213 HA CYS 9 HA CYS 9 9.076 4.373 -17.208
214 HB2 CYS 9 2HB CYS 9 7.275 2.945 -15.933
215 HB3 CYS 9 3HB CYS 9 8.991 2.654 -15.666
216 HA PRO 10 HA PRO 10 5.746 7.361 -17.895
217 HB2 PRO 10 2HB PRO 10 5.748 7.057 -20.593
218 HB3 PRO 10 3HB PRO 10 6.905 8.088 -19.742
219 HG2 PRO 10 2HG PRO 10 7.256 5.302 -20.780
220 HG3 PRO 10 3HG PRO 10 8.371 6.678 -20.869
221 HD2 PRO 10 2HD PRO 10 8.643 4.698 -19.042
222 HD3 PRO 10 3HD PRO 10 9.114 6.377 -18.708
223 H LEU 11 H LEU 11 5.989 4.333 -19.774
224 HA LEU 11 HA LEU 11 3.080 4.027 -19.562
225 HB2 LEU 11 2HB LEU 11 4.405 3.897 -21.774
226 HB3 LEU 11 3HB LEU 11 4.884 2.296 -21.214
227 HG LEU 11 HG LEU 11 1.986 3.028 -21.387
228 HD11 LEU 11 1HD1 LEU 11 3.856 2.448 -23.632
229 HD12 LEU 11 2HD1 LEU 11 2.477 3.545 -23.566
230 HD13 LEU 11 3HD1 LEU 11 2.215 1.805 -23.691
231 HD21 LEU 11 3HD2 LEU 11 3.523 0.711 -20.743
232 HD22 LEU 11 1HD2 LEU 11 2.575 0.390 -22.196
233 HD23 LEU 11 2HD2 LEU 11 1.772 0.924 -20.719
234 H PHE 12 H PHE 12 5.866 1.797 -19.576
235 HA PHE 12 HA PHE 12 4.533 -0.222 -18.129
236 HB2 PHE 12 2HB PHE 12 6.608 -1.368 -18.084
237 HB3 PHE 12 3HB PHE 12 6.599 -0.469 -19.598
238 HD1 PHE 12 HD1 PHE 12 7.503 2.105 -19.127
239 HD2 PHE 12 HD2 PHE 12 8.660 -1.448 -17.088
240 HE1 PHE 12 HE1 PHE 12 9.642 3.156 -18.516
241 HE2 PHE 12 HE2 PHE 12 10.800 -0.402 -16.473
242 HZ PHE 12 HZ PHE 12 11.293 1.903 -17.186
243 H GLY 13 H GLY 13 3.621 1.150 -16.409
244 HA2 GLY 13 2HA GLY 13 5.542 1.432 -14.182
245 HA3 GLY 13 3HA GLY 13 4.287 2.624 -14.483
246 H LYS 14 H LYS 14 2.377 2.378 -13.502
247 HA LYS 14 HA LYS 14 1.940 0.668 -11.415
248 HB2 LYS 14 2HB LYS 14 -0.113 1.883 -13.272
249 HB3 LYS 14 3HB LYS 14 -0.494 1.139 -11.725
250 HG2 LYS 14 2HG LYS 14 1.219 3.576 -12.162
251 HG3 LYS 14 3HG LYS 14 -0.418 3.541 -11.503
252 HD2 LYS 14 2HD LYS 14 0.483 2.062 -9.666
253 HD3 LYS 14 3HD LYS 14 2.099 2.437 -10.269
254 HE2 LYS 14 2HE LYS 14 1.946 4.102 -8.743
255 HE3 LYS 14 3HE LYS 14 1.126 4.921 -10.072
256 HZ1 LYS 14 3HZ LYS 14 -0.352 3.318 -8.072
257 HZ2 LYS 14 1HZ LYS 14 -0.959 4.478 -9.143
258 HZ3 LYS 14 2HZ LYS 14 -0.010 4.956 -7.828
259 H GLY 15 H GLY 15 1.685 -0.022 -14.791
260 HA2 GLY 15 2HA GLY 15 -0.067 -2.038 -15.100
261 HA3 GLY 15 3HA GLY 15 1.541 -2.102 -15.807
262 H GLY 16 H GLY 16 2.936 -2.261 -13.275
263 HA2 GLY 16 2HA GLY 16 2.972 -5.063 -12.958
264 HA3 GLY 16 3HA GLY 16 3.764 -3.904 -11.902
Start of MODEL 6
1 H1 VAL 1 H VAL 1 1.575 -0.465 0.573
2 HA VAL 1 HA VAL 1 1.545 -0.856 -2.343
3 HB VAL 1 HB VAL 1 2.921 1.411 -0.894
4 HG11 VAL 1 1HG1 VAL 1 3.130 2.022 -3.507
5 HG12 VAL 1 2HG1 VAL 1 4.379 1.165 -2.601
6 HG13 VAL 1 3HG1 VAL 1 3.232 0.264 -3.593
7 HG21 VAL 1 3HG2 VAL 1 0.382 1.491 -1.311
8 HG22 VAL 1 1HG2 VAL 1 1.357 2.867 -1.829
9 HG23 VAL 1 2HG2 VAL 1 0.813 1.677 -3.011
10 H ALA 2 H ALA 2 3.390 -1.731 -3.236
11 HA ALA 2 HA ALA 2 4.943 -3.431 -1.651
12 HB1 ALA 2 1HB ALA 2 6.391 -2.883 -4.015
13 HB2 ALA 2 2HB ALA 2 5.356 -4.268 -3.663
14 HB3 ALA 2 3HB ALA 2 4.676 -2.829 -4.424
15 H ARG 3 H ARG 3 6.407 -0.871 -3.628
16 HA ARG 3 HA ARG 3 8.158 -0.232 -1.345
17 HB2 ARG 3 2HB ARG 3 8.851 -0.221 -4.289
18 HB3 ARG 3 3HB ARG 3 9.923 0.294 -2.994
19 HG2 ARG 3 2HG ARG 3 10.683 -1.821 -3.246
20 HG3 ARG 3 3HG ARG 3 9.381 -2.149 -2.101
21 HD2 ARG 3 2HD ARG 3 8.244 -3.356 -3.596
22 HD3 ARG 3 3HD ARG 3 8.455 -2.137 -4.852
23 HE ARG 3 HE ARG 3 10.260 -3.312 -5.658
24 HH11 ARG 3 1HH1 ARG 3 9.331 -4.570 -2.548
25 HH12 ARG 3 2HH1 ARG 3 10.358 -5.961 -2.658
26 HH21 ARG 3 1HH2 ARG 3 11.616 -5.139 -5.815
27 HH22 ARG 3 2HH2 ARG 3 11.658 -6.283 -4.516
28 H GLY 4 H GLY 4 9.094 1.722 -3.752
29 HA2 GLY 4 2HA GLY 4 7.086 3.797 -3.133
30 HA3 GLY 4 3HA GLY 4 8.808 4.138 -3.035
31 H TRP 5 H TRP 5 6.083 3.703 -5.125
32 HA TRP 5 HA TRP 5 7.427 3.606 -7.599
33 HB2 TRP 5 2HB TRP 5 4.729 4.886 -7.219
34 HB3 TRP 5 3HB TRP 5 5.327 3.974 -8.602
35 HD1 TRP 5 HD1 TRP 5 2.653 3.407 -6.655
36 HE1 TRP 5 HE1 TRP 5 2.355 0.993 -5.814
37 HE3 TRP 5 HE3 TRP 5 7.436 1.724 -7.309
38 HZ2 TRP 5 HZ2 TRP 5 3.939 -1.319 -5.473
39 HZ3 TRP 5 HZ3 TRP 5 7.962 -0.601 -6.700
40 HH2 TRP 5 HH2 TRP 5 6.248 -2.089 -5.801
41 H LYS 6 H LYS 6 9.082 5.133 -7.611
42 HA LYS 6 HA LYS 6 8.204 7.945 -7.709
43 HB2 LYS 6 2HB LYS 6 10.901 6.804 -6.956
44 HB3 LYS 6 3HB LYS 6 10.559 8.520 -7.134
45 HG2 LYS 6 2HG LYS 6 9.445 8.645 -5.170
46 HG3 LYS 6 3HG LYS 6 8.809 7.004 -5.298
47 HD2 LYS 6 2HD LYS 6 10.343 6.423 -3.785
48 HD3 LYS 6 3HD LYS 6 11.546 6.646 -5.057
49 HE2 LYS 6 2HE LYS 6 11.757 9.016 -4.385
50 HE3 LYS 6 3HE LYS 6 10.627 8.717 -3.065
51 HZ1 LYS 6 3HZ LYS 6 12.194 7.060 -2.195
52 HZ2 LYS 6 1HZ LYS 6 12.875 8.608 -2.260
53 HZ3 LYS 6 2HZ LYS 6 13.290 7.451 -3.423
54 H ARG 7 H ARG 7 11.383 7.627 -8.632
55 HA ARG 7 HA ARG 7 10.709 8.137 -11.405
56 HB2 ARG 7 2HB ARG 7 13.402 8.189 -11.389
57 HB3 ARG 7 3HB ARG 7 12.404 9.565 -10.936
58 HG2 ARG 7 2HG ARG 7 12.785 9.256 -8.666
59 HG3 ARG 7 3HG ARG 7 13.294 7.580 -8.883
60 HD2 ARG 7 2HD ARG 7 15.416 8.155 -9.373
61 HD3 ARG 7 3HD ARG 7 14.923 9.568 -10.306
62 HE ARG 7 HE ARG 7 14.417 10.275 -7.730
63 HH11 ARG 7 1HH1 ARG 7 17.216 9.080 -9.420
64 HH12 ARG 7 2HH1 ARG 7 18.347 9.899 -8.394
65 HH21 ARG 7 1HH2 ARG 7 15.896 11.358 -6.372
66 HH22 ARG 7 2HH2 ARG 7 17.595 11.194 -6.660
67 H LYS 8 H LYS 8 13.519 6.316 -10.299
68 HA LYS 8 HA LYS 8 13.429 4.506 -12.453
69 HB2 LYS 8 2HB LYS 8 14.817 4.105 -9.799
70 HB3 LYS 8 3HB LYS 8 15.211 3.321 -11.323
71 HG2 LYS 8 2HG LYS 8 15.265 6.241 -11.444
72 HG3 LYS 8 3HG LYS 8 16.437 5.539 -10.326
73 HD2 LYS 8 2HD LYS 8 16.176 4.332 -13.033
74 HD3 LYS 8 3HD LYS 8 16.995 5.890 -12.890
75 HE2 LYS 8 2HE LYS 8 18.819 4.944 -12.025
76 HE3 LYS 8 3HE LYS 8 17.872 4.023 -10.858
77 HZ1 LYS 8 3HZ LYS 8 18.592 2.284 -12.050
78 HZ2 LYS 8 1HZ LYS 8 18.939 3.211 -13.422
79 HZ3 LYS 8 2HZ LYS 8 17.354 2.703 -13.124
80 H CYS 9 H CYS 9 11.235 3.752 -12.411
81 HA CYS 9 HA CYS 9 9.807 2.540 -10.476
82 HB2 CYS 9 2HB CYS 9 10.143 1.420 -13.267
83 HB3 CYS 9 3HB CYS 9 8.785 1.121 -12.186
84 HA PRO 10 HA PRO 10 12.811 -0.594 -9.194
85 HB2 PRO 10 2HB PRO 10 11.630 -1.043 -6.791
86 HB3 PRO 10 3HB PRO 10 12.720 0.317 -7.086
87 HG2 PRO 10 2HG PRO 10 9.727 0.262 -7.049
88 HG3 PRO 10 3HG PRO 10 10.833 1.462 -6.355
89 HD2 PRO 10 2HD PRO 10 9.556 1.850 -8.711
90 HD3 PRO 10 3HD PRO 10 11.171 2.508 -8.380
91 H LEU 11 H LEU 11 9.378 -0.979 -8.278
92 HA LEU 11 HA LEU 11 9.538 -3.790 -9.097
93 HB2 LEU 11 2HB LEU 11 8.711 -3.059 -6.797
94 HB3 LEU 11 3HB LEU 11 7.267 -2.484 -7.627
95 HG LEU 11 HG LEU 11 7.054 -4.731 -6.541
96 HD11 LEU 11 1HD1 LEU 11 6.607 -5.412 -9.327
97 HD12 LEU 11 2HD1 LEU 11 6.041 -3.791 -8.927
98 HD13 LEU 11 3HD1 LEU 11 5.449 -5.180 -8.017
99 HD21 LEU 11 3HD2 LEU 11 8.835 -5.639 -8.797
100 HD22 LEU 11 1HD2 LEU 11 8.083 -6.644 -7.558
101 HD23 LEU 11 2HD2 LEU 11 9.347 -5.497 -7.114
102 H PHE 12 H PHE 12 7.032 -1.250 -9.182
103 HA PHE 12 HA PHE 12 5.615 -2.414 -11.324
104 HB2 PHE 12 2HB PHE 12 4.239 -0.504 -11.275
105 HB3 PHE 12 3HB PHE 12 4.794 -0.685 -9.614
106 HD1 PHE 12 HD1 PHE 12 7.333 0.512 -9.451
107 HD2 PHE 12 HD2 PHE 12 4.022 1.699 -11.847
108 HE1 PHE 12 HE1 PHE 12 8.189 2.819 -9.485
109 HE2 PHE 12 HE2 PHE 12 4.872 4.007 -11.885
110 HZ PHE 12 HZ PHE 12 6.959 4.570 -10.704
111 H GLY 13 H GLY 13 7.487 -2.849 -12.739
112 HA2 GLY 13 2HA GLY 13 8.052 -0.503 -14.445
113 HA3 GLY 13 3HA GLY 13 9.289 -1.689 -14.057
114 H LYS 14 H LYS 14 9.580 -3.324 -15.427
115 HA LYS 14 HA LYS 14 8.456 -3.481 -17.917
116 HB2 LYS 14 2HB LYS 14 9.527 -5.772 -16.260
117 HB3 LYS 14 3HB LYS 14 9.273 -5.818 -17.999
118 HG2 LYS 14 2HG LYS 14 11.395 -5.181 -18.170
119 HG3 LYS 14 3HG LYS 14 10.836 -3.584 -17.670
120 HD2 LYS 14 2HD LYS 14 11.116 -4.631 -15.260
121 HD3 LYS 14 3HD LYS 14 12.252 -5.684 -16.106
122 HE2 LYS 14 2HE LYS 14 13.173 -3.442 -17.069
123 HE3 LYS 14 3HE LYS 14 12.355 -2.726 -15.681
124 HZ1 LYS 14 3HZ LYS 14 14.266 -4.972 -15.410
125 HZ2 LYS 14 1HZ LYS 14 13.682 -3.946 -14.198
126 HZ3 LYS 14 2HZ LYS 14 14.757 -3.354 -15.361
127 H GLY 15 H GLY 15 7.090 -4.514 -14.925
128 HA2 GLY 15 2HA GLY 15 5.379 -6.526 -15.433
129 HA3 GLY 15 3HA GLY 15 4.892 -5.118 -14.501
130 H GLY 16 H GLY 16 5.071 -3.264 -16.720
131 HA2 GLY 16 2HA GLY 16 2.441 -3.567 -17.740
132 HA3 GLY 16 3HA GLY 16 3.612 -2.359 -18.248
133 H1 VAL 1 H VAL 1 10.374 -2.836 -29.036
134 HA VAL 1 HA VAL 1 9.543 -2.778 -26.214
135 HB VAL 1 HB VAL 1 11.583 -0.940 -27.477
136 HG11 VAL 1 1HG1 VAL 1 11.682 -0.456 -24.811
137 HG12 VAL 1 2HG1 VAL 1 10.762 0.510 -25.966
138 HG13 VAL 1 3HG1 VAL 1 9.959 -0.756 -25.036
139 HG21 VAL 1 3HG2 VAL 1 13.206 -1.961 -26.078
140 HG22 VAL 1 1HG2 VAL 1 11.976 -2.867 -25.198
141 HG23 VAL 1 2HG2 VAL 1 12.336 -3.271 -26.876
142 H ALA 2 H ALA 2 8.145 -1.122 -25.631
143 HA ALA 2 HA ALA 2 6.503 -0.095 -27.733
144 HB1 ALA 2 1HB ALA 2 4.986 0.076 -26.118
145 HB2 ALA 2 2HB ALA 2 6.185 -0.594 -25.012
146 HB3 ALA 2 3HB ALA 2 6.018 1.153 -25.177
147 H ARG 3 H ARG 3 8.090 1.684 -25.078
148 HA ARG 3 HA ARG 3 8.633 3.855 -26.995
149 HB2 ARG 3 2HB ARG 3 8.004 4.106 -24.048
150 HB3 ARG 3 3HB ARG 3 8.372 5.438 -25.136
151 HG2 ARG 3 2HG ARG 3 6.346 5.252 -26.254
152 HG3 ARG 3 3HG ARG 3 6.077 3.602 -25.689
153 HD2 ARG 3 2HD ARG 3 4.951 4.349 -23.926
154 HD3 ARG 3 3HD ARG 3 6.318 5.350 -23.439
155 HE ARG 3 HE ARG 3 5.120 6.757 -25.448
156 HH11 ARG 3 1HH1 ARG 3 4.074 5.423 -22.408
157 HH12 ARG 3 2HH1 ARG 3 2.866 6.637 -22.142
158 HH21 ARG 3 1HH2 ARG 3 3.534 8.360 -25.110
159 HH22 ARG 3 2HH2 ARG 3 2.559 8.307 -23.680
160 H GLY 4 H GLY 4 9.821 4.768 -24.089
161 HA2 GLY 4 2HA GLY 4 12.437 3.477 -24.542
162 HA3 GLY 4 3HA GLY 4 12.310 5.215 -24.312
163 H TRP 5 H TRP 5 11.847 2.086 -22.760
164 HA TRP 5 HA TRP 5 11.126 2.888 -20.216
165 HB2 TRP 5 2HB TRP 5 13.077 0.643 -20.697
166 HB3 TRP 5 3HB TRP 5 11.832 0.764 -19.457
167 HD1 TRP 5 HD1 TRP 5 12.262 -1.546 -21.858
168 HE1 TRP 5 HE1 TRP 5 10.163 -2.181 -23.206
169 HE3 TRP 5 HE3 TRP 5 9.380 2.553 -20.848
170 HZ2 TRP 5 HZ2 TRP 5 7.622 -1.088 -23.767
171 HZ3 TRP 5 HZ3 TRP 5 7.127 2.681 -21.829
172 HH2 TRP 5 HH2 TRP 5 6.268 0.898 -23.258
173 H LYS 6 H LYS 6 12.101 4.650 -19.350
174 HA LYS 6 HA LYS 6 15.008 4.469 -18.893
175 HB2 LYS 6 2HB LYS 6 13.336 6.966 -19.236
176 HB3 LYS 6 3HB LYS 6 15.057 6.934 -18.873
177 HG2 LYS 6 2HG LYS 6 15.619 6.574 -21.004
178 HG3 LYS 6 3HG LYS 6 14.329 5.394 -21.245
179 HD2 LYS 6 2HD LYS 6 13.624 7.072 -22.642
180 HD3 LYS 6 3HD LYS 6 12.801 7.535 -21.150
181 HE2 LYS 6 2HE LYS 6 15.540 8.589 -21.629
182 HE3 LYS 6 3HE LYS 6 14.214 9.268 -22.572
183 HZ1 LYS 6 3HZ LYS 6 13.123 9.385 -20.191
184 HZ2 LYS 6 1HZ LYS 6 14.128 10.617 -20.769
185 HZ3 LYS 6 2HZ LYS 6 14.742 9.455 -19.705
186 H ARG 7 H ARG 7 13.854 7.157 -17.396
187 HA ARG 7 HA ARG 7 14.016 5.912 -14.793
188 HB2 ARG 7 2HB ARG 7 13.885 8.725 -15.803
189 HB3 ARG 7 3HB ARG 7 13.510 8.400 -14.116
190 HG2 ARG 7 2HG ARG 7 15.655 8.124 -13.584
191 HG3 ARG 7 3HG ARG 7 15.964 7.111 -14.996
192 HD2 ARG 7 2HD ARG 7 16.554 8.893 -16.315
193 HD3 ARG 7 3HD ARG 7 15.573 10.034 -15.396
194 HE ARG 7 HE ARG 7 17.586 9.202 -13.699
195 HH11 ARG 7 1HH1 ARG 7 17.343 10.838 -16.762
196 HH12 ARG 7 2HH1 ARG 7 18.795 11.754 -16.536
197 HH21 ARG 7 1HH2 ARG 7 19.500 10.403 -13.389
198 HH22 ARG 7 2HH2 ARG 7 20.022 11.506 -14.617
199 H LYS 8 H LYS 8 11.755 8.473 -15.684
200 HA LYS 8 HA LYS 8 9.699 7.451 -14.033
201 HB2 LYS 8 2HB LYS 8 9.423 9.429 -16.302
202 HB3 LYS 8 3HB LYS 8 8.317 9.217 -14.951
203 HG2 LYS 8 2HG LYS 8 11.091 9.809 -14.197
204 HG3 LYS 8 3HG LYS 8 10.257 11.097 -15.071
205 HD2 LYS 8 2HD LYS 8 8.841 9.746 -12.825
206 HD3 LYS 8 3HD LYS 8 10.114 10.908 -12.444
207 HE2 LYS 8 2HE LYS 8 8.645 12.545 -12.744
208 HE3 LYS 8 3HE LYS 8 8.540 12.094 -14.445
209 HZ1 LYS 8 3HZ LYS 8 6.374 11.881 -13.838
210 HZ2 LYS 8 1HZ LYS 8 6.726 11.461 -12.238
211 HZ3 LYS 8 2HZ LYS 8 6.895 10.315 -13.469
212 H CYS 9 H CYS 9 9.650 5.232 -14.848
213 HA CYS 9 HA CYS 9 9.083 4.274 -17.300
214 HB2 CYS 9 2HB CYS 9 7.471 2.639 -16.039
215 HB3 CYS 9 3HB CYS 9 9.193 2.627 -15.676
216 HA PRO 10 HA PRO 10 5.393 6.723 -18.223
217 HB2 PRO 10 2HB PRO 10 5.523 6.296 -20.901
218 HB3 PRO 10 3HB PRO 10 6.500 7.516 -20.074
219 HG2 PRO 10 2HG PRO 10 7.263 4.760 -20.960
220 HG3 PRO 10 3HG PRO 10 8.181 6.272 -21.090
221 HD2 PRO 10 2HD PRO 10 8.664 4.437 -19.158
222 HD3 PRO 10 3HD PRO 10 8.889 6.179 -18.899
223 H LEU 11 H LEU 11 6.108 3.676 -19.946
224 HA LEU 11 HA LEU 11 3.264 2.978 -19.788
225 HB2 LEU 11 2HB LEU 11 4.626 2.935 -21.964
226 HB3 LEU 11 3HB LEU 11 5.361 1.471 -21.316
227 HG LEU 11 HG LEU 11 3.512 1.070 -22.935
228 HD11 LEU 11 1HD1 LEU 11 3.099 -0.868 -21.910
229 HD12 LEU 11 2HD1 LEU 11 2.386 -0.077 -20.505
230 HD13 LEU 11 3HD1 LEU 11 4.136 -0.260 -20.619
231 HD21 LEU 11 3HD2 LEU 11 2.202 3.079 -21.824
232 HD22 LEU 11 1HD2 LEU 11 1.540 1.782 -20.828
233 HD23 LEU 11 2HD2 LEU 11 1.355 1.729 -22.582
234 H PHE 12 H PHE 12 6.316 1.136 -19.646
235 HA PHE 12 HA PHE 12 5.233 -0.972 -18.127
236 HB2 PHE 12 2HB PHE 12 7.442 -1.819 -17.979
237 HB3 PHE 12 3HB PHE 12 7.358 -0.995 -19.532
238 HD1 PHE 12 HD2 PHE 12 7.869 1.710 -19.123
239 HD2 PHE 12 HD1 PHE 12 9.472 -1.587 -16.960
240 HE1 PHE 12 HE2 PHE 12 9.825 3.070 -18.507
241 HE2 PHE 12 HE1 PHE 12 11.430 -0.232 -16.339
242 HZ PHE 12 HZ PHE 12 11.609 2.099 -17.114
243 H GLY 13 H GLY 13 4.089 0.330 -16.496
244 HA2 GLY 13 2HA GLY 13 5.884 0.973 -14.239
245 HA3 GLY 13 3HA GLY 13 4.489 1.969 -14.628
246 H LYS 14 H LYS 14 2.589 1.496 -13.707
247 HA LYS 14 HA LYS 14 2.321 -0.155 -11.542
248 HB2 LYS 14 2HB LYS 14 0.135 0.567 -13.503
249 HB3 LYS 14 3HB LYS 14 -0.108 0.014 -11.851
250 HG2 LYS 14 2HG LYS 14 -0.094 2.133 -11.215
251 HG3 LYS 14 3HG LYS 14 1.616 2.201 -11.650
252 HD2 LYS 14 2HD LYS 14 0.442 2.501 -14.081
253 HD3 LYS 14 3HD LYS 14 -0.736 3.296 -13.034
254 HE2 LYS 14 2HE LYS 14 0.788 4.896 -12.325
255 HE3 LYS 14 3HE LYS 14 2.180 3.908 -12.763
256 HZ1 LYS 14 3HZ LYS 14 2.089 5.555 -14.386
257 HZ2 LYS 14 1HZ LYS 14 0.406 5.468 -14.537
258 HZ3 LYS 14 2HZ LYS 14 1.375 4.220 -15.141
259 H GLY 15 H GLY 15 2.306 -1.037 -14.879
260 HA2 GLY 15 2HA GLY 15 0.853 -3.300 -15.115
261 HA3 GLY 15 3HA GLY 15 2.464 -3.155 -15.803
262 H GLY 16 H GLY 16 3.760 -2.955 -13.181
263 HA2 GLY 16 2HA GLY 16 4.205 -5.726 -12.749
264 HA3 GLY 16 3HA GLY 16 4.841 -4.412 -11.769
Start of MODEL 7
1 H1 VAL 1 H VAL 1 0.663 -1.902 -0.445
2 HA VAL 1 HA VAL 1 1.277 -1.181 -2.818
3 HB VAL 1 HB VAL 1 1.387 1.186 -2.325
4 HG11 VAL 1 1HG1 VAL 1 3.764 0.553 -0.580
5 HG12 VAL 1 2HG1 VAL 1 3.100 2.154 -0.914
6 HG13 VAL 1 3HG1 VAL 1 2.158 0.981 0.008
7 HG21 VAL 1 3HG2 VAL 1 4.246 0.696 -2.855
8 HG22 VAL 1 1HG2 VAL 1 3.110 -0.148 -3.908
9 HG23 VAL 1 2HG2 VAL 1 3.059 1.611 -3.784
10 H ALA 2 H ALA 2 3.088 -2.148 -3.680
11 HA ALA 2 HA ALA 2 4.439 -4.045 -2.143
12 HB1 ALA 2 1HB ALA 2 4.338 -3.277 -4.872
13 HB2 ALA 2 2HB ALA 2 6.033 -3.422 -4.406
14 HB3 ALA 2 3HB ALA 2 4.935 -4.782 -4.173
15 H ARG 3 H ARG 3 6.182 -1.476 -3.867
16 HA ARG 3 HA ARG 3 7.865 -1.135 -1.471
17 HB2 ARG 3 2HB ARG 3 8.625 -1.071 -4.392
18 HB3 ARG 3 3HB ARG 3 9.679 -0.488 -3.111
19 HG2 ARG 3 2HG ARG 3 10.381 -2.681 -3.615
20 HG3 ARG 3 3HG ARG 3 9.511 -2.777 -2.082
21 HD2 ARG 3 2HD ARG 3 7.729 -3.888 -3.005
22 HD3 ARG 3 3HD ARG 3 7.997 -3.204 -4.608
23 HE ARG 3 HE ARG 3 10.128 -4.755 -4.395
24 HH11 ARG 3 1HH1 ARG 3 6.815 -5.404 -3.548
25 HH12 ARG 3 2HH1 ARG 3 6.933 -7.105 -3.855
26 HH21 ARG 3 1HH2 ARG 3 10.296 -6.993 -4.803
27 HH22 ARG 3 2HH2 ARG 3 8.914 -8.007 -4.568
28 H GLY 4 H GLY 4 8.992 0.941 -3.706
29 HA2 GLY 4 2HA GLY 4 7.110 3.089 -2.959
30 HA3 GLY 4 3HA GLY 4 8.846 3.305 -2.787
31 H TRP 5 H TRP 5 6.170 3.195 -4.988
32 HA TRP 5 HA TRP 5 7.589 3.225 -7.419
33 HB2 TRP 5 2HB TRP 5 4.956 4.627 -7.014
34 HB3 TRP 5 3HB TRP 5 5.549 3.796 -8.449
35 HD1 TRP 5 HD1 TRP 5 2.785 3.235 -6.626
36 HE1 TRP 5 HE1 TRP 5 2.322 0.782 -6.000
37 HE3 TRP 5 HE3 TRP 5 7.480 1.326 -7.297
38 HZ2 TRP 5 HZ2 TRP 5 3.757 -1.642 -5.814
39 HZ3 TRP 5 HZ3 TRP 5 7.850 -1.069 -6.873
40 HH2 TRP 5 HH2 TRP 5 6.026 -2.520 -6.146
41 H LYS 6 H LYS 6 9.312 4.646 -7.335
42 HA LYS 6 HA LYS 6 8.612 7.504 -7.164
43 HB2 LYS 6 2HB LYS 6 11.267 6.177 -6.582
44 HB3 LYS 6 3HB LYS 6 10.953 7.905 -6.504
45 HG2 LYS 6 2HG LYS 6 10.211 7.733 -4.427
46 HG3 LYS 6 3HG LYS 6 9.047 6.491 -4.894
47 HD2 LYS 6 2HD LYS 6 10.339 5.340 -3.376
48 HD3 LYS 6 3HD LYS 6 11.156 4.938 -4.888
49 HE2 LYS 6 2HE LYS 6 13.032 5.708 -3.974
50 HE3 LYS 6 3HE LYS 6 12.328 7.322 -4.054
51 HZ1 LYS 6 3HZ LYS 6 11.393 5.863 -1.787
52 HZ2 LYS 6 1HZ LYS 6 12.126 7.387 -1.857
53 HZ3 LYS 6 2HZ LYS 6 13.080 5.992 -1.787
54 H ARG 7 H ARG 7 11.745 7.227 -8.116
55 HA ARG 7 HA ARG 7 11.116 7.997 -10.822
56 HB2 ARG 7 2HB ARG 7 13.638 7.815 -9.205
57 HB3 ARG 7 3HB ARG 7 13.716 8.024 -10.950
58 HG2 ARG 7 2HG ARG 7 12.702 10.125 -10.863
59 HG3 ARG 7 3HG ARG 7 12.088 9.858 -9.230
60 HD2 ARG 7 2HD ARG 7 13.909 11.349 -9.014
61 HD3 ARG 7 3HD ARG 7 14.494 9.777 -8.472
62 HE ARG 7 HE ARG 7 16.005 9.808 -10.180
63 HH11 ARG 7 1HH1 ARG 7 13.466 12.081 -10.893
64 HH12 ARG 7 2HH1 ARG 7 14.245 12.706 -12.308
65 HH21 ARG 7 1HH2 ARG 7 17.040 10.623 -12.042
66 HH22 ARG 7 2HH2 ARG 7 16.278 11.876 -12.962
67 H LYS 8 H LYS 8 13.790 5.873 -9.947
68 HA LYS 8 HA LYS 8 13.498 4.294 -12.277
69 HB2 LYS 8 2HB LYS 8 15.183 2.799 -11.139
70 HB3 LYS 8 3HB LYS 8 15.672 4.477 -11.328
71 HG2 LYS 8 2HG LYS 8 16.122 4.533 -9.164
72 HG3 LYS 8 3HG LYS 8 14.399 4.331 -8.839
73 HD2 LYS 8 2HD LYS 8 15.116 2.492 -7.734
74 HD3 LYS 8 3HD LYS 8 15.075 1.777 -9.348
75 HE2 LYS 8 2HE LYS 8 17.545 3.179 -8.435
76 HE3 LYS 8 3HE LYS 8 17.206 1.557 -7.833
77 HZ1 LYS 8 3HZ LYS 8 16.777 1.367 -10.515
78 HZ2 LYS 8 1HZ LYS 8 18.163 0.850 -9.694
79 HZ3 LYS 8 2HZ LYS 8 18.127 2.381 -10.413
80 H CYS 9 H CYS 9 11.259 3.664 -12.135
81 HA CYS 9 HA CYS 9 9.915 2.333 -10.213
82 HB2 CYS 9 2HB CYS 9 8.963 0.906 -12.190
83 HB3 CYS 9 3HB CYS 9 8.685 2.644 -12.153
84 HA PRO 10 HA PRO 10 12.788 -1.084 -9.512
85 HB2 PRO 10 2HB PRO 10 11.727 -1.761 -7.107
86 HB3 PRO 10 3HB PRO 10 12.872 -0.430 -7.311
87 HG2 PRO 10 2HG PRO 10 9.888 -0.344 -7.087
88 HG3 PRO 10 3HG PRO 10 11.098 0.708 -6.330
89 HD2 PRO 10 2HD PRO 10 9.708 1.438 -8.537
90 HD3 PRO 10 3HD PRO 10 11.374 1.973 -8.237
91 H LEU 11 H LEU 11 9.367 -1.361 -8.517
92 HA LEU 11 HA LEU 11 9.336 -4.101 -9.549
93 HB2 LEU 11 2HB LEU 11 8.520 -3.419 -7.208
94 HB3 LEU 11 3HB LEU 11 7.108 -2.773 -8.043
95 HG LEU 11 HG LEU 11 7.979 -5.650 -8.252
96 HD11 LEU 11 1HD1 LEU 11 6.859 -6.207 -6.386
97 HD12 LEU 11 2HD1 LEU 11 5.618 -4.981 -6.637
98 HD13 LEU 11 3HD1 LEU 11 7.168 -4.533 -5.926
99 HD21 LEU 11 3HD2 LEU 11 5.257 -5.443 -8.637
100 HD22 LEU 11 1HD2 LEU 11 6.477 -5.616 -9.899
101 HD23 LEU 11 2HD2 LEU 11 5.896 -4.013 -9.448
102 H PHE 12 H PHE 12 6.977 -1.425 -9.465
103 HA PHE 12 HA PHE 12 5.528 -2.334 -11.702
104 HB2 PHE 12 2HB PHE 12 4.285 -0.332 -11.541
105 HB3 PHE 12 3HB PHE 12 4.775 -0.694 -9.889
106 HD1 PHE 12 HD2 PHE 12 7.302 0.329 -9.440
107 HD2 PHE 12 HD1 PHE 12 4.320 1.893 -12.045
108 HE1 PHE 12 HE2 PHE 12 8.314 2.564 -9.252
109 HE2 PHE 12 HE1 PHE 12 5.329 4.130 -11.861
110 HZ PHE 12 HZ PHE 12 7.327 4.468 -10.463
111 H GLY 13 H GLY 13 7.321 -2.788 -13.174
112 HA2 GLY 13 2HA GLY 13 8.087 -0.364 -14.678
113 HA3 GLY 13 3HA GLY 13 9.229 -1.667 -14.385
114 H LYS 14 H LYS 14 9.428 -3.163 -15.913
115 HA LYS 14 HA LYS 14 8.327 -3.056 -18.398
116 HB2 LYS 14 2HB LYS 14 9.096 -5.590 -16.937
117 HB3 LYS 14 3HB LYS 14 8.956 -5.412 -18.681
118 HG2 LYS 14 2HG LYS 14 10.941 -4.018 -16.897
119 HG3 LYS 14 3HG LYS 14 11.275 -5.346 -18.011
120 HD2 LYS 14 2HD LYS 14 10.069 -3.529 -19.652
121 HD3 LYS 14 3HD LYS 14 10.945 -2.480 -18.534
122 HE2 LYS 14 2HE LYS 14 12.777 -2.861 -19.735
123 HE3 LYS 14 3HE LYS 14 12.729 -4.530 -19.172
124 HZ1 LYS 14 3HZ LYS 14 11.355 -5.090 -21.085
125 HZ2 LYS 14 1HZ LYS 14 12.832 -4.426 -21.575
126 HZ3 LYS 14 2HZ LYS 14 11.424 -3.490 -21.628
127 H GLY 15 H GLY 15 6.866 -4.341 -15.515
128 HA2 GLY 15 2HA GLY 15 4.945 -6.060 -16.347
129 HA3 GLY 15 3HA GLY 15 4.644 -4.838 -15.119
130 H GLY 16 H GLY 16 5.055 -2.630 -17.037
131 HA2 GLY 16 2HA GLY 16 2.365 -2.700 -18.182
132 HA3 GLY 16 3HA GLY 16 3.362 -1.270 -17.961
133 H1 VAL 1 H VAL 1 10.963 -2.114 -28.828
134 HA VAL 1 HA VAL 1 9.466 -1.818 -26.436
135 HB VAL 1 HB VAL 1 11.843 -1.319 -26.474
136 HG11 VAL 1 1HG1 VAL 1 12.003 -0.469 -28.757
137 HG12 VAL 1 2HG1 VAL 1 11.122 0.985 -28.283
138 HG13 VAL 1 3HG1 VAL 1 12.719 0.660 -27.608
139 HG21 VAL 1 3HG2 VAL 1 10.834 1.393 -25.963
140 HG22 VAL 1 1HG2 VAL 1 9.946 0.100 -25.156
141 HG23 VAL 1 2HG2 VAL 1 11.681 0.275 -24.893
142 H ALA 2 H ALA 2 8.121 -0.159 -25.753
143 HA ALA 2 HA ALA 2 6.510 1.044 -27.789
144 HB1 ALA 2 1HB ALA 2 6.155 0.359 -25.120
145 HB2 ALA 2 2HB ALA 2 6.055 2.120 -25.147
146 HB3 ALA 2 3HB ALA 2 4.988 1.161 -26.172
147 H ARG 3 H ARG 3 8.150 2.582 -25.018
148 HA ARG 3 HA ARG 3 8.752 4.870 -26.777
149 HB2 ARG 3 2HB ARG 3 8.122 4.926 -23.819
150 HB3 ARG 3 3HB ARG 3 8.540 6.321 -24.804
151 HG2 ARG 3 2HG ARG 3 6.514 6.283 -25.942
152 HG3 ARG 3 3HG ARG 3 6.187 4.608 -25.494
153 HD2 ARG 3 2HD ARG 3 6.080 5.439 -23.092
154 HD3 ARG 3 3HD ARG 3 6.037 7.066 -23.770
155 HE ARG 3 HE ARG 3 4.057 5.360 -24.920
156 HH11 ARG 3 1HH1 ARG 3 4.800 7.341 -22.155
157 HH12 ARG 3 2HH1 ARG 3 3.140 7.650 -21.766
158 HH21 ARG 3 1HH2 ARG 3 1.868 5.760 -24.419
159 HH22 ARG 3 2HH2 ARG 3 1.473 6.749 -23.054
160 H GLY 4 H GLY 4 9.961 5.530 -23.808
161 HA2 GLY 4 2HA GLY 4 12.544 4.214 -24.369
162 HA3 GLY 4 3HA GLY 4 12.459 5.929 -23.992
163 H TRP 5 H TRP 5 11.925 2.690 -22.712
164 HA TRP 5 HA TRP 5 11.220 3.288 -20.107
165 HB2 TRP 5 2HB TRP 5 13.113 1.047 -20.804
166 HB3 TRP 5 3HB TRP 5 11.900 1.093 -19.528
167 HD1 TRP 5 HD1 TRP 5 12.189 -1.049 -22.073
168 HE1 TRP 5 HE1 TRP 5 10.053 -1.502 -23.437
169 HE3 TRP 5 HE3 TRP 5 9.499 3.099 -20.772
170 HZ2 TRP 5 HZ2 TRP 5 7.559 -0.265 -23.900
171 HZ3 TRP 5 HZ3 TRP 5 7.247 3.389 -21.719
172 HH2 TRP 5 HH2 TRP 5 6.299 1.741 -23.251
173 H LYS 6 H LYS 6 12.236 4.953 -19.103
174 HA LYS 6 HA LYS 6 15.135 4.658 -18.654
175 HB2 LYS 6 2HB LYS 6 15.128 7.169 -18.338
176 HB3 LYS 6 3HB LYS 6 14.866 6.605 -19.983
177 HG2 LYS 6 2HG LYS 6 12.318 6.811 -18.864
178 HG3 LYS 6 3HG LYS 6 13.191 8.245 -18.319
179 HD2 LYS 6 2HD LYS 6 13.439 9.067 -20.439
180 HD3 LYS 6 3HD LYS 6 13.439 7.463 -21.177
181 HE2 LYS 6 2HE LYS 6 10.995 7.318 -20.600
182 HE3 LYS 6 3HE LYS 6 11.075 9.019 -20.143
183 HZ1 LYS 6 3HZ LYS 6 11.941 9.429 -22.450
184 HZ2 LYS 6 1HZ LYS 6 10.321 8.953 -22.357
185 HZ3 LYS 6 2HZ LYS 6 11.503 7.839 -22.826
186 H ARG 7 H ARG 7 14.100 7.254 -16.953
187 HA ARG 7 HA ARG 7 14.162 5.791 -14.459
188 HB2 ARG 7 2HB ARG 7 14.045 8.728 -15.131
189 HB3 ARG 7 3HB ARG 7 13.961 8.132 -13.479
190 HG2 ARG 7 2HG ARG 7 16.185 8.444 -13.550
191 HG3 ARG 7 3HG ARG 7 16.170 6.854 -14.316
192 HD2 ARG 7 2HD ARG 7 15.989 8.060 -16.527
193 HD3 ARG 7 3HD ARG 7 16.326 9.549 -15.645
194 HE ARG 7 HE ARG 7 18.333 7.773 -14.972
195 HH11 ARG 7 1HH1 ARG 7 17.133 9.305 -17.859
196 HH12 ARG 7 2HH1 ARG 7 18.674 9.318 -18.650
197 HH21 ARG 7 1HH2 ARG 7 20.368 7.784 -16.003
198 HH22 ARG 7 2HH2 ARG 7 20.513 8.451 -17.594
199 H LYS 8 H LYS 8 12.074 8.549 -15.190
200 HA LYS 8 HA LYS 8 9.947 7.591 -13.608
201 HB2 LYS 8 2HB LYS 8 8.627 9.411 -14.767
202 HB3 LYS 8 3HB LYS 8 10.096 9.936 -13.954
203 HG2 LYS 8 2HG LYS 8 10.701 10.926 -15.837
204 HG3 LYS 8 3HG LYS 8 10.878 9.327 -16.563
205 HD2 LYS 8 2HD LYS 8 8.944 9.497 -17.725
206 HD3 LYS 8 3HD LYS 8 8.128 10.389 -16.439
207 HE2 LYS 8 2HE LYS 8 8.317 11.952 -18.155
208 HE3 LYS 8 3HE LYS 8 9.673 12.336 -17.096
209 HZ1 LYS 8 3HZ LYS 8 11.159 11.205 -18.562
210 HZ2 LYS 8 1HZ LYS 8 10.247 12.289 -19.487
211 HZ3 LYS 8 2HZ LYS 8 9.886 10.637 -19.520
212 H CYS 9 H CYS 9 9.678 5.422 -14.416
213 HA CYS 9 HA CYS 9 9.136 4.496 -16.882
214 HB2 CYS 9 2HB CYS 9 7.563 3.834 -14.383
215 HB3 CYS 9 3HB CYS 9 7.574 2.866 -15.854
216 HA PRO 10 HA PRO 10 5.759 7.305 -17.989
217 HB2 PRO 10 2HB PRO 10 6.018 6.895 -20.661
218 HB3 PRO 10 3HB PRO 10 7.047 8.013 -19.756
219 HG2 PRO 10 2HG PRO 10 7.613 5.208 -20.637
220 HG3 PRO 10 3HG PRO 10 8.669 6.631 -20.687
221 HD2 PRO 10 2HD PRO 10 8.863 4.740 -18.758
222 HD3 PRO 10 3HD PRO 10 9.227 6.452 -18.458
223 H LEU 11 H LEU 11 6.290 4.256 -19.776
224 HA LEU 11 HA LEU 11 3.393 3.775 -19.672
225 HB2 LEU 11 2HB LEU 11 4.664 3.841 -21.879
226 HB3 LEU 11 3HB LEU 11 5.381 2.309 -21.383
227 HG LEU 11 HG LEU 11 3.453 2.121 -22.968
228 HD11 LEU 11 1HD1 LEU 11 4.158 0.550 -20.819
229 HD12 LEU 11 2HD1 LEU 11 3.093 0.083 -22.145
230 HD13 LEU 11 3HD1 LEU 11 2.411 0.718 -20.647
231 HD21 LEU 11 3HD2 LEU 11 2.252 3.980 -21.398
232 HD22 LEU 11 1HD2 LEU 11 1.508 2.497 -20.802
233 HD23 LEU 11 2HD2 LEU 11 1.400 2.911 -22.513
234 H PHE 12 H PHE 12 6.342 1.765 -19.713
235 HA PHE 12 HA PHE 12 5.132 -0.410 -18.380
236 HB2 PHE 12 2HB PHE 12 7.268 -1.416 -18.371
237 HB3 PHE 12 3HB PHE 12 7.244 -0.421 -19.823
238 HD1 PHE 12 HD1 PHE 12 7.839 2.230 -18.892
239 HD2 PHE 12 HD2 PHE 12 9.424 -1.497 -17.584
240 HE1 PHE 12 HE1 PHE 12 9.889 3.367 -18.147
241 HE2 PHE 12 HE2 PHE 12 11.477 -0.366 -16.836
242 HZ PHE 12 HZ PHE 12 11.711 2.070 -17.116
243 H GLY 13 H GLY 13 4.101 0.844 -16.628
244 HA2 GLY 13 2HA GLY 13 5.965 1.161 -14.356
245 HA3 GLY 13 3HA GLY 13 4.633 2.274 -14.631
246 H LYS 14 H LYS 14 2.714 1.844 -13.727
247 HA LYS 14 HA LYS 14 2.314 0.136 -11.673
248 HB2 LYS 14 2HB LYS 14 0.298 1.042 -13.730
249 HB3 LYS 14 3HB LYS 14 -0.143 0.219 -12.240
250 HG2 LYS 14 2HG LYS 14 -0.235 2.202 -11.262
251 HG3 LYS 14 3HG LYS 14 1.516 2.316 -11.449
252 HD2 LYS 14 2HD LYS 14 0.952 3.160 -13.837
253 HD3 LYS 14 3HD LYS 14 -0.653 3.464 -13.167
254 HE2 LYS 14 2HE LYS 14 0.104 5.107 -11.750
255 HE3 LYS 14 3HE LYS 14 1.737 4.447 -11.683
256 HZ1 LYS 14 3HZ LYS 14 1.398 6.587 -12.976
257 HZ2 LYS 14 1HZ LYS 14 0.646 5.640 -14.159
258 HZ3 LYS 14 2HZ LYS 14 2.263 5.357 -13.752
259 H GLY 15 H GLY 15 2.166 -0.660 -15.077
260 HA2 GLY 15 2HA GLY 15 0.804 -2.998 -15.212
261 HA3 GLY 15 3HA GLY 15 2.308 -2.736 -16.084
262 H GLY 16 H GLY 16 3.860 -2.506 -13.580
263 HA2 GLY 16 2HA GLY 16 4.226 -5.369 -13.171
264 HA3 GLY 16 3HA GLY 16 5.324 -4.094 -12.663
Start of MODEL 8
1 H1 VAL 1 H VAL 1 1.581 1.307 -0.232
2 HA VAL 1 HA VAL 1 0.625 -0.225 -2.430
3 HB VAL 1 HB VAL 1 2.051 0.533 -4.189
4 HG11 VAL 1 1HG1 VAL 1 -0.111 1.872 -3.431
5 HG12 VAL 1 2HG1 VAL 1 1.072 3.167 -3.234
6 HG13 VAL 1 3HG1 VAL 1 0.873 2.383 -4.802
7 HG21 VAL 1 3HG2 VAL 1 3.247 2.880 -3.492
8 HG22 VAL 1 1HG2 VAL 1 3.410 1.941 -2.008
9 HG23 VAL 1 2HG2 VAL 1 4.051 1.310 -3.525
10 H ALA 2 H ALA 2 2.889 -1.132 -3.578
11 HA ALA 2 HA ALA 2 3.949 -2.889 -1.685
12 HB1 ALA 2 1HB ALA 2 4.133 -2.522 -4.463
13 HB2 ALA 2 2HB ALA 2 5.789 -2.541 -3.854
14 HB3 ALA 2 3HB ALA 2 4.708 -3.893 -3.513
15 H ARG 3 H ARG 3 5.927 -0.515 -3.455
16 HA ARG 3 HA ARG 3 7.402 -0.021 -0.952
17 HB2 ARG 3 2HB ARG 3 8.530 -0.020 -3.757
18 HB3 ARG 3 3HB ARG 3 9.431 0.260 -2.274
19 HG2 ARG 3 2HG ARG 3 7.970 -2.303 -2.839
20 HG3 ARG 3 3HG ARG 3 9.654 -2.029 -3.288
21 HD2 ARG 3 2HD ARG 3 9.268 -1.261 -0.563
22 HD3 ARG 3 3HD ARG 3 8.622 -2.884 -0.802
23 HE ARG 3 HE ARG 3 11.098 -2.857 -2.019
24 HH11 ARG 3 1HH1 ARG 3 9.830 -2.358 1.184
25 HH12 ARG 3 2HH1 ARG 3 11.258 -2.932 1.980
26 HH21 ARG 3 1HH2 ARG 3 12.984 -3.614 -0.983
27 HH22 ARG 3 2HH2 ARG 3 13.052 -3.645 0.746
28 H GLY 4 H GLY 4 8.830 1.813 -3.210
29 HA2 GLY 4 2HA GLY 4 6.976 4.079 -2.814
30 HA3 GLY 4 3HA GLY 4 8.709 4.248 -2.576
31 H TRP 5 H TRP 5 6.138 3.984 -4.896
32 HA TRP 5 HA TRP 5 7.685 3.754 -7.238
33 HB2 TRP 5 2HB TRP 5 5.063 5.229 -7.110
34 HB3 TRP 5 3HB TRP 5 5.714 4.261 -8.429
35 HD1 TRP 5 HD1 TRP 5 2.867 3.938 -6.618
36 HE1 TRP 5 HE1 TRP 5 2.317 1.549 -5.833
37 HE3 TRP 5 HE3 TRP 5 7.506 1.841 -7.087
38 HZ2 TRP 5 HZ2 TRP 5 3.671 -0.900 -5.462
39 HZ3 TRP 5 HZ3 TRP 5 7.794 -0.530 -6.496
40 HH2 TRP 5 HH2 TRP 5 5.915 -1.870 -5.700
41 H LYS 6 H LYS 6 9.419 5.142 -7.262
42 HA LYS 6 HA LYS 6 8.815 8.023 -7.245
43 HB2 LYS 6 2HB LYS 6 11.422 6.574 -6.755
44 HB3 LYS 6 3HB LYS 6 11.255 8.323 -6.829
45 HG2 LYS 6 2HG LYS 6 10.460 8.454 -4.747
46 HG3 LYS 6 3HG LYS 6 9.417 7.045 -4.954
47 HD2 LYS 6 2HD LYS 6 11.124 5.553 -4.384
48 HD3 LYS 6 3HD LYS 6 12.389 6.751 -4.666
49 HE2 LYS 6 2HE LYS 6 12.339 6.814 -2.392
50 HE3 LYS 6 3HE LYS 6 11.093 8.015 -2.726
51 HZ1 LYS 6 3HZ LYS 6 10.390 6.417 -1.045
52 HZ2 LYS 6 1HZ LYS 6 10.594 5.146 -2.143
53 HZ3 LYS 6 2HZ LYS 6 9.411 6.322 -2.422
54 H ARG 7 H ARG 7 11.869 7.428 -8.425
55 HA ARG 7 HA ARG 7 11.039 8.128 -11.120
56 HB2 ARG 7 2HB ARG 7 13.728 7.987 -11.291
57 HB3 ARG 7 3HB ARG 7 12.863 9.414 -10.736
58 HG2 ARG 7 2HG ARG 7 13.357 8.997 -8.501
59 HG3 ARG 7 3HG ARG 7 13.752 7.305 -8.808
60 HD2 ARG 7 2HD ARG 7 15.836 7.802 -9.645
61 HD3 ARG 7 3HD ARG 7 15.368 9.432 -10.129
62 HE ARG 7 HE ARG 7 15.271 9.246 -7.330
63 HH11 ARG 7 1HH1 ARG 7 17.579 9.266 -9.937
64 HH12 ARG 7 2HH1 ARG 7 18.852 9.946 -8.978
65 HH21 ARG 7 1HH2 ARG 7 16.939 10.142 -6.058
66 HH22 ARG 7 2HH2 ARG 7 18.487 10.443 -6.772
67 H LYS 8 H LYS 8 13.760 6.053 -10.245
68 HA LYS 8 HA LYS 8 13.378 4.341 -12.461
69 HB2 LYS 8 2HB LYS 8 15.078 2.892 -11.285
70 HB3 LYS 8 3HB LYS 8 15.580 4.549 -11.589
71 HG2 LYS 8 2HG LYS 8 16.096 4.727 -9.446
72 HG3 LYS 8 3HG LYS 8 14.380 4.572 -9.060
73 HD2 LYS 8 2HD LYS 8 15.097 2.789 -7.869
74 HD3 LYS 8 3HD LYS 8 15.011 1.981 -9.436
75 HE2 LYS 8 2HE LYS 8 17.436 2.722 -9.749
76 HE3 LYS 8 3HE LYS 8 17.423 3.085 -8.024
77 HZ1 LYS 8 3HZ LYS 8 16.600 0.698 -7.768
78 HZ2 LYS 8 1HZ LYS 8 18.232 0.926 -8.151
79 HZ3 LYS 8 2HZ LYS 8 17.137 0.465 -9.355
80 H CYS 9 H CYS 9 11.140 3.743 -12.226
81 HA CYS 9 HA CYS 9 9.812 2.559 -10.213
82 HB2 CYS 9 2HB CYS 9 8.868 0.966 -12.080
83 HB3 CYS 9 3HB CYS 9 8.558 2.698 -12.149
84 HA PRO 10 HA PRO 10 12.694 -0.795 -9.262
85 HB2 PRO 10 2HB PRO 10 11.675 -1.249 -6.786
86 HB3 PRO 10 3HB PRO 10 12.823 0.050 -7.129
87 HG2 PRO 10 2HG PRO 10 9.845 0.177 -6.858
88 HG3 PRO 10 3HG PRO 10 11.075 1.284 -6.220
89 HD2 PRO 10 2HD PRO 10 9.647 1.825 -8.456
90 HD3 PRO 10 3HD PRO 10 11.321 2.373 -8.236
91 H LEU 11 H LEU 11 9.261 -0.918 -8.280
92 HA LEU 11 HA LEU 11 9.203 -3.749 -9.053
93 HB2 LEU 11 2HB LEU 11 8.474 -2.947 -6.745
94 HB3 LEU 11 3HB LEU 11 7.063 -2.267 -7.553
95 HG LEU 11 HG LEU 11 6.697 -4.485 -6.450
96 HD11 LEU 11 1HD1 LEU 11 5.039 -4.822 -7.898
97 HD12 LEU 11 2HD1 LEU 11 6.153 -5.140 -9.227
98 HD13 LEU 11 3HD1 LEU 11 5.716 -3.481 -8.822
99 HD21 LEU 11 3HD2 LEU 11 7.563 -6.476 -7.463
100 HD22 LEU 11 1HD2 LEU 11 8.920 -5.421 -7.067
101 HD23 LEU 11 2HD2 LEU 11 8.357 -5.544 -8.733
102 H PHE 12 H PHE 12 6.908 -1.016 -9.121
103 HA PHE 12 HA PHE 12 5.360 -2.084 -11.224
104 HB2 PHE 12 2HB PHE 12 4.155 -0.054 -11.186
105 HB3 PHE 12 3HB PHE 12 4.695 -0.289 -9.527
106 HD1 PHE 12 HD2 PHE 12 7.211 0.740 -9.190
107 HD2 PHE 12 HD1 PHE 12 4.248 2.103 -11.925
108 HE1 PHE 12 HE2 PHE 12 8.264 2.964 -9.218
109 HE2 PHE 12 HE1 PHE 12 5.298 4.328 -11.959
110 HZ PHE 12 HZ PHE 12 7.307 4.761 -10.603
111 H GLY 13 H GLY 13 7.088 -2.689 -12.715
112 HA2 GLY 13 2HA GLY 13 7.856 -0.406 -14.426
113 HA3 GLY 13 3HA GLY 13 8.975 -1.714 -14.073
114 H LYS 14 H LYS 14 9.094 -3.306 -15.506
115 HA LYS 14 HA LYS 14 7.889 -3.356 -17.945
116 HB2 LYS 14 2HB LYS 14 8.882 -5.653 -16.262
117 HB3 LYS 14 3HB LYS 14 8.348 -5.862 -17.925
118 HG2 LYS 14 2HG LYS 14 10.247 -5.040 -18.756
119 HG3 LYS 14 3HG LYS 14 10.286 -3.708 -17.598
120 HD2 LYS 14 2HD LYS 14 10.962 -5.542 -15.893
121 HD3 LYS 14 3HD LYS 14 11.369 -6.488 -17.326
122 HE2 LYS 14 2HE LYS 14 12.385 -3.707 -17.202
123 HE3 LYS 14 3HE LYS 14 13.116 -4.879 -16.106
124 HZ1 LYS 14 3HZ LYS 14 12.844 -5.366 -19.015
125 HZ2 LYS 14 1HZ LYS 14 13.797 -6.214 -17.904
126 HZ3 LYS 14 2HZ LYS 14 14.208 -4.631 -18.337
127 H GLY 15 H GLY 15 6.525 -4.370 -14.920
128 HA2 GLY 15 2HA GLY 15 4.567 -6.138 -15.499
129 HA3 GLY 15 3HA GLY 15 4.306 -4.783 -14.411
130 H GLY 16 H GLY 16 4.654 -2.794 -16.546
131 HA2 GLY 16 2HA GLY 16 1.952 -3.021 -17.655
132 HA3 GLY 16 3HA GLY 16 2.905 -1.548 -17.546
133 H1 VAL 1 H VAL 1 9.901 -2.677 -28.905
134 HA VAL 1 HA VAL 1 8.746 -2.520 -26.214
135 HB VAL 1 HB VAL 1 10.799 -0.734 -27.530
136 HG11 VAL 1 1HG1 VAL 1 11.020 -0.365 -24.836
137 HG12 VAL 1 2HG1 VAL 1 10.146 0.702 -25.936
138 HG13 VAL 1 3HG1 VAL 1 9.277 -0.542 -25.036
139 HG21 VAL 1 3HG2 VAL 1 11.483 -3.116 -27.020
140 HG22 VAL 1 1HG2 VAL 1 12.453 -1.853 -26.262
141 HG23 VAL 1 2HG2 VAL 1 11.246 -2.725 -25.317
142 H ALA 2 H ALA 2 7.435 -0.820 -25.566
143 HA ALA 2 HA ALA 2 5.775 0.306 -27.608
144 HB1 ALA 2 1HB ALA 2 4.300 0.506 -25.956
145 HB2 ALA 2 2HB ALA 2 5.490 -0.258 -24.901
146 HB3 ALA 2 3HB ALA 2 5.402 1.500 -25.004
147 H ARG 3 H ARG 3 7.502 1.950 -24.953
148 HA ARG 3 HA ARG 3 8.070 4.154 -26.826
149 HB2 ARG 3 2HB ARG 3 7.528 4.341 -23.857
150 HB3 ARG 3 3HB ARG 3 7.928 5.690 -24.912
151 HG2 ARG 3 2HG ARG 3 5.476 3.959 -25.157
152 HG3 ARG 3 3HG ARG 3 5.532 5.563 -24.422
153 HD2 ARG 3 2HD ARG 3 6.267 4.946 -27.281
154 HD3 ARG 3 3HD ARG 3 4.707 5.580 -26.757
155 HE ARG 3 HE ARG 3 7.157 7.041 -27.053
156 HH11 ARG 3 1HH1 ARG 3 4.101 6.914 -25.391
157 HH12 ARG 3 2HH1 ARG 3 4.055 8.616 -25.073
158 HH21 ARG 3 1HH2 ARG 3 7.108 9.284 -26.641
159 HH22 ARG 3 2HH2 ARG 3 5.765 9.964 -25.786
160 H GLY 4 H GLY 4 9.371 4.927 -23.923
161 HA2 GLY 4 2HA GLY 4 11.928 3.570 -24.505
162 HA3 GLY 4 3HA GLY 4 11.865 5.299 -24.196
163 H TRP 5 H TRP 5 11.353 2.119 -22.770
164 HA TRP 5 HA TRP 5 10.727 2.829 -20.172
165 HB2 TRP 5 2HB TRP 5 12.582 0.546 -20.835
166 HB3 TRP 5 3HB TRP 5 11.412 0.653 -19.523
167 HD1 TRP 5 HD1 TRP 5 11.599 -1.598 -21.978
168 HE1 TRP 5 HE1 TRP 5 9.418 -2.087 -23.255
169 HE3 TRP 5 HE3 TRP 5 8.991 2.634 -20.782
170 HZ2 TRP 5 HZ2 TRP 5 6.923 -0.843 -23.697
171 HZ3 TRP 5 HZ3 TRP 5 6.714 2.907 -21.673
172 HH2 TRP 5 HH2 TRP 5 5.703 1.204 -23.100
173 H LYS 6 H LYS 6 11.785 4.529 -19.273
174 HA LYS 6 HA LYS 6 14.692 4.224 -18.891
175 HB2 LYS 6 2HB LYS 6 14.718 6.747 -18.690
176 HB3 LYS 6 3HB LYS 6 14.405 6.112 -20.300
177 HG2 LYS 6 2HG LYS 6 11.892 6.396 -19.122
178 HG3 LYS 6 3HG LYS 6 12.793 7.844 -18.667
179 HD2 LYS 6 2HD LYS 6 13.051 6.996 -21.481
180 HD3 LYS 6 3HD LYS 6 11.456 7.575 -20.994
181 HE2 LYS 6 2HE LYS 6 12.874 9.513 -19.905
182 HE3 LYS 6 3HE LYS 6 14.056 9.023 -21.118
183 HZ1 LYS 6 3HZ LYS 6 12.199 9.256 -22.777
184 HZ2 LYS 6 1HZ LYS 6 12.758 10.701 -22.098
185 HZ3 LYS 6 2HZ LYS 6 11.304 10.022 -21.563
186 H ARG 7 H ARG 7 13.732 6.905 -17.282
187 HA ARG 7 HA ARG 7 13.816 5.538 -14.729
188 HB2 ARG 7 2HB ARG 7 13.861 8.435 -15.548
189 HB3 ARG 7 3HB ARG 7 13.702 7.953 -13.865
190 HG2 ARG 7 2HG ARG 7 15.930 8.037 -13.835
191 HG3 ARG 7 3HG ARG 7 15.851 6.480 -14.664
192 HD2 ARG 7 2HD ARG 7 17.297 7.749 -15.984
193 HD3 ARG 7 3HD ARG 7 15.750 7.855 -16.824
194 HE ARG 7 HE ARG 7 15.724 10.040 -15.244
195 HH11 ARG 7 1HH1 ARG 7 18.062 8.764 -17.486
196 HH12 ARG 7 2HH1 ARG 7 18.691 10.320 -17.917
197 HH21 ARG 7 1HH2 ARG 7 16.544 12.094 -15.804
198 HH22 ARG 7 2HH2 ARG 7 17.828 12.213 -16.959
199 H LYS 8 H LYS 8 11.820 8.334 -15.595
200 HA LYS 8 HA LYS 8 9.702 7.593 -13.894
201 HB2 LYS 8 2HB LYS 8 8.423 9.370 -15.093
202 HB3 LYS 8 3HB LYS 8 9.992 9.900 -14.500
203 HG2 LYS 8 2HG LYS 8 9.863 8.885 -17.279
204 HG3 LYS 8 3HG LYS 8 9.127 10.454 -16.945
205 HD2 LYS 8 2HD LYS 8 11.501 10.681 -15.634
206 HD3 LYS 8 3HD LYS 8 11.955 9.664 -17.003
207 HE2 LYS 8 2HE LYS 8 10.874 11.332 -18.507
208 HE3 LYS 8 3HE LYS 8 10.625 12.368 -17.103
209 HZ1 LYS 8 3HZ LYS 8 12.756 12.541 -18.653
210 HZ2 LYS 8 1HZ LYS 8 13.336 11.402 -17.545
211 HZ3 LYS 8 2HZ LYS 8 12.799 12.911 -17.003
212 H CYS 9 H CYS 9 9.557 5.312 -14.655
213 HA CYS 9 HA CYS 9 8.827 4.278 -17.004
214 HB2 CYS 9 2HB CYS 9 7.375 3.702 -14.412
215 HB3 CYS 9 3HB CYS 9 7.412 2.651 -15.824
216 HA PRO 10 HA PRO 10 5.344 7.008 -17.993
217 HB2 PRO 10 2HB PRO 10 5.459 6.529 -20.662
218 HB3 PRO 10 3HB PRO 10 6.514 7.691 -19.849
219 HG2 PRO 10 2HG PRO 10 7.087 4.875 -20.685
220 HG3 PRO 10 3HG PRO 10 8.109 6.316 -20.833
221 HD2 PRO 10 2HD PRO 10 8.451 4.484 -18.869
222 HD3 PRO 10 3HD PRO 10 8.796 6.210 -18.636
223 H LEU 11 H LEU 11 5.828 3.934 -19.750
224 HA LEU 11 HA LEU 11 2.952 3.413 -19.513
225 HB2 LEU 11 2HB LEU 11 4.254 3.340 -21.734
226 HB3 LEU 11 3HB LEU 11 4.884 1.803 -21.146
227 HG LEU 11 HG LEU 11 1.930 2.285 -21.328
228 HD11 LEU 11 1HD1 LEU 11 2.393 0.894 -23.564
229 HD12 LEU 11 2HD1 LEU 11 3.853 1.881 -23.533
230 HD13 LEU 11 3HD1 LEU 11 2.267 2.653 -23.532
231 HD21 LEU 11 3HD2 LEU 11 2.767 -0.340 -21.994
232 HD22 LEU 11 1HD2 LEU 11 1.856 0.199 -20.583
233 HD23 LEU 11 2HD2 LEU 11 3.618 0.145 -20.527
234 H PHE 12 H PHE 12 5.883 1.379 -19.528
235 HA PHE 12 HA PHE 12 4.715 -0.687 -18.005
236 HB2 PHE 12 2HB PHE 12 6.849 -1.704 -18.000
237 HB3 PHE 12 3HB PHE 12 6.768 -0.819 -19.520
238 HD1 PHE 12 HD1 PHE 12 7.412 1.887 -18.826
239 HD2 PHE 12 HD2 PHE 12 9.031 -1.735 -17.284
240 HE1 PHE 12 HE1 PHE 12 9.494 3.065 -18.252
241 HE2 PHE 12 HE2 PHE 12 11.115 -0.563 -16.707
242 HZ PHE 12 HZ PHE 12 11.349 1.841 -17.190
243 H GLY 13 H GLY 13 3.759 0.710 -16.310
244 HA2 GLY 13 2HA GLY 13 5.703 1.140 -14.127
245 HA3 GLY 13 3HA GLY 13 4.382 2.258 -14.432
246 H LYS 14 H LYS 14 2.484 1.922 -13.444
247 HA LYS 14 HA LYS 14 2.158 0.301 -11.280
248 HB2 LYS 14 2HB LYS 14 -0.009 1.154 -13.209
249 HB3 LYS 14 3HB LYS 14 -0.279 0.580 -11.569
250 HG2 LYS 14 2HG LYS 14 1.182 3.086 -12.374
251 HG3 LYS 14 3HG LYS 14 -0.418 2.985 -11.637
252 HD2 LYS 14 2HD LYS 14 0.640 1.891 -9.660
253 HD3 LYS 14 3HD LYS 14 2.216 2.204 -10.391
254 HE2 LYS 14 2HE LYS 14 2.209 4.268 -9.574
255 HE3 LYS 14 3HE LYS 14 0.699 4.617 -10.413
256 HZ1 LYS 14 3HZ LYS 14 0.558 3.080 -7.928
257 HZ2 LYS 14 1HZ LYS 14 -0.533 4.204 -8.566
258 HZ3 LYS 14 2HZ LYS 14 0.883 4.736 -7.809
259 H GLY 15 H GLY 15 1.915 -0.594 -14.624
260 HA2 GLY 15 2HA GLY 15 0.364 -2.797 -14.744
261 HA3 GLY 15 3HA GLY 15 1.929 -2.721 -15.540
262 H GLY 16 H GLY 16 3.411 -2.565 -13.019
263 HA2 GLY 16 2HA GLY 16 3.768 -5.350 -12.595
264 HA3 GLY 16 3HA GLY 16 4.525 -4.060 -11.673
Start of MODEL 9
1 H1 VAL 1 H VAL 1 -0.655 -0.634 -1.794
2 HA VAL 1 HA VAL 1 1.159 -0.969 -3.272
3 HB VAL 1 HB VAL 1 1.010 1.394 -2.816
4 HG11 VAL 1 1HG1 VAL 1 1.315 2.222 -0.780
5 HG12 VAL 1 2HG1 VAL 1 1.829 0.633 -0.211
6 HG13 VAL 1 3HG1 VAL 1 3.019 1.773 -0.839
7 HG21 VAL 1 3HG2 VAL 1 3.165 0.187 -3.859
8 HG22 VAL 1 1HG2 VAL 1 3.007 1.939 -3.734
9 HG23 VAL 1 2HG2 VAL 1 3.932 1.049 -2.525
10 H ALA 2 H ALA 2 3.222 -1.763 -3.634
11 HA ALA 2 HA ALA 2 4.269 -3.484 -1.618
12 HB1 ALA 2 1HB ALA 2 4.453 -3.297 -4.394
13 HB2 ALA 2 2HB ALA 2 6.099 -3.057 -3.804
14 HB3 ALA 2 3HB ALA 2 5.204 -4.508 -3.354
15 H ARG 3 H ARG 3 6.066 -1.030 -3.473
16 HA ARG 3 HA ARG 3 7.455 -0.302 -0.977
17 HB2 ARG 3 2HB ARG 3 8.591 -0.399 -3.779
18 HB3 ARG 3 3HB ARG 3 9.453 0.162 -2.352
19 HG2 ARG 3 2HG ARG 3 8.442 -2.628 -2.859
20 HG3 ARG 3 3HG ARG 3 10.122 -2.088 -2.884
21 HD2 ARG 3 2HD ARG 3 9.370 -1.263 -0.423
22 HD3 ARG 3 3HD ARG 3 8.353 -2.692 -0.608
23 HE ARG 3 HE ARG 3 11.189 -2.631 -0.221
24 HH11 ARG 3 1HH1 ARG 3 8.556 -4.445 -1.597
25 HH12 ARG 3 2HH1 ARG 3 9.385 -5.964 -1.511
26 HH21 ARG 3 1HH2 ARG 3 12.292 -4.625 -0.102
27 HH22 ARG 3 2HH2 ARG 3 11.510 -6.065 -0.660
28 H GLY 4 H GLY 4 8.708 1.536 -3.366
29 HA2 GLY 4 2HA GLY 4 6.685 3.661 -3.019
30 HA3 GLY 4 3HA GLY 4 8.405 3.981 -2.851
31 H TRP 5 H TRP 5 5.791 3.412 -5.061
32 HA TRP 5 HA TRP 5 7.275 3.178 -7.443
33 HB2 TRP 5 2HB TRP 5 4.539 4.431 -7.251
34 HB3 TRP 5 3HB TRP 5 5.227 3.518 -8.591
35 HD1 TRP 5 HD1 TRP 5 2.478 2.911 -6.757
36 HE1 TRP 5 HE1 TRP 5 2.197 0.498 -5.907
37 HE3 TRP 5 HE3 TRP 5 7.321 1.331 -7.186
38 HZ2 TRP 5 HZ2 TRP 5 3.815 -1.774 -5.474
39 HZ3 TRP 5 HZ3 TRP 5 7.871 -0.976 -6.532
40 HH2 TRP 5 HH2 TRP 5 6.153 -2.495 -5.693
41 H LYS 6 H LYS 6 8.905 4.701 -7.542
42 HA LYS 6 HA LYS 6 8.033 7.505 -7.793
43 HB2 LYS 6 2HB LYS 6 10.740 6.434 -6.976
44 HB3 LYS 6 3HB LYS 6 10.338 8.135 -7.170
45 HG2 LYS 6 2HG LYS 6 9.479 8.250 -5.128
46 HG3 LYS 6 3HG LYS 6 8.491 6.811 -5.386
47 HD2 LYS 6 2HD LYS 6 9.854 6.096 -3.679
48 HD3 LYS 6 3HD LYS 6 10.783 5.567 -5.084
49 HE2 LYS 6 2HE LYS 6 12.305 7.338 -4.881
50 HE3 LYS 6 3HE LYS 6 11.234 8.252 -3.821
51 HZ1 LYS 6 3HZ LYS 6 13.216 7.060 -2.780
52 HZ2 LYS 6 1HZ LYS 6 12.328 5.636 -2.997
53 HZ3 LYS 6 2HZ LYS 6 11.712 6.877 -2.027
54 H ARG 7 H ARG 7 11.206 7.259 -8.645
55 HA ARG 7 HA ARG 7 10.576 7.552 -11.456
56 HB2 ARG 7 2HB ARG 7 13.089 7.873 -9.830
57 HB3 ARG 7 3HB ARG 7 13.121 7.906 -11.588
58 HG2 ARG 7 2HG ARG 7 12.765 10.091 -11.407
59 HG3 ARG 7 3HG ARG 7 11.107 9.673 -10.971
60 HD2 ARG 7 2HD ARG 7 11.423 10.142 -8.777
61 HD3 ARG 7 3HD ARG 7 13.097 9.587 -8.791
62 HE ARG 7 HE ARG 7 13.734 11.748 -9.113
63 HH11 ARG 7 1HH1 ARG 7 10.436 11.405 -10.175
64 HH12 ARG 7 2HH1 ARG 7 10.236 13.090 -10.525
65 HH21 ARG 7 1HH2 ARG 7 13.483 13.969 -9.570
66 HH22 ARG 7 2HH2 ARG 7 11.970 14.547 -10.181
67 H LYS 8 H LYS 8 13.424 5.911 -10.174
68 HA LYS 8 HA LYS 8 13.496 3.988 -12.214
69 HB2 LYS 8 2HB LYS 8 14.725 3.749 -9.463
70 HB3 LYS 8 3HB LYS 8 15.231 2.903 -10.919
71 HG2 LYS 8 2HG LYS 8 15.225 5.809 -11.196
72 HG3 LYS 8 3HG LYS 8 16.331 5.208 -9.958
73 HD2 LYS 8 2HD LYS 8 16.292 3.855 -12.611
74 HD3 LYS 8 3HD LYS 8 17.077 5.431 -12.481
75 HE2 LYS 8 2HE LYS 8 18.885 4.379 -11.726
76 HE3 LYS 8 3HE LYS 8 17.973 3.984 -10.270
77 HZ1 LYS 8 3HZ LYS 8 17.904 1.856 -10.848
78 HZ2 LYS 8 1HZ LYS 8 19.017 2.206 -12.073
79 HZ3 LYS 8 2HZ LYS 8 17.360 2.206 -12.411
80 H CYS 9 H CYS 9 11.341 3.154 -12.286
81 HA CYS 9 HA CYS 9 9.824 1.998 -10.372
82 HB2 CYS 9 2HB CYS 9 10.353 0.907 -13.144
83 HB3 CYS 9 3HB CYS 9 9.024 0.395 -12.109
84 HA PRO 10 HA PRO 10 12.818 -1.008 -8.802
85 HB2 PRO 10 2HB PRO 10 11.505 -1.406 -6.459
86 HB3 PRO 10 3HB PRO 10 12.577 -0.028 -6.738
87 HG2 PRO 10 2HG PRO 10 9.589 -0.164 -6.878
88 HG3 PRO 10 3HG PRO 10 10.620 1.090 -6.163
89 HD2 PRO 10 2HD PRO 10 9.479 1.360 -8.604
90 HD3 PRO 10 3HD PRO 10 11.054 2.074 -8.202
91 H LEU 11 H LEU 11 9.315 -1.410 -8.222
92 HA LEU 11 HA LEU 11 9.605 -4.246 -8.954
93 HB2 LEU 11 2HB LEU 11 7.498 -2.867 -7.298
94 HB3 LEU 11 3HB LEU 11 7.475 -4.574 -7.735
95 HG LEU 11 HG LEU 11 8.310 -4.703 -5.613
96 HD11 LEU 11 1HD1 LEU 11 10.857 -4.144 -7.121
97 HD12 LEU 11 2HD1 LEU 11 9.944 -5.648 -7.240
98 HD13 LEU 11 3HD1 LEU 11 10.653 -5.167 -5.698
99 HD21 LEU 11 3HD2 LEU 11 9.931 -3.023 -4.684
100 HD22 LEU 11 1HD2 LEU 11 8.319 -2.399 -5.038
101 HD23 LEU 11 2HD2 LEU 11 9.657 -2.061 -6.138
102 H PHE 12 H PHE 12 7.121 -1.684 -9.090
103 HA PHE 12 HA PHE 12 5.712 -2.904 -11.232
104 HB2 PHE 12 2HB PHE 12 4.284 -1.035 -11.171
105 HB3 PHE 12 3HB PHE 12 4.837 -1.208 -9.509
106 HD1 PHE 12 HD1 PHE 12 7.441 0.023 -9.501
107 HD2 PHE 12 HD2 PHE 12 3.908 1.199 -11.563
108 HE1 PHE 12 HE1 PHE 12 8.233 2.353 -9.522
109 HE2 PHE 12 HE2 PHE 12 4.694 3.530 -11.588
110 HZ PHE 12 HZ PHE 12 6.859 4.110 -10.568
111 H GLY 13 H GLY 13 7.622 -3.273 -12.624
112 HA2 GLY 13 2HA GLY 13 8.134 -0.898 -14.306
113 HA3 GLY 13 3HA GLY 13 9.401 -2.050 -13.912
114 H LYS 14 H LYS 14 9.719 -3.732 -15.234
115 HA LYS 14 HA LYS 14 8.772 -3.910 -17.767
116 HB2 LYS 14 2HB LYS 14 9.513 -6.244 -15.992
117 HB3 LYS 14 3HB LYS 14 9.423 -6.295 -17.748
118 HG2 LYS 14 2HG LYS 14 11.330 -4.651 -16.097
119 HG3 LYS 14 3HG LYS 14 11.718 -6.089 -17.044
120 HD2 LYS 14 2HD LYS 14 11.072 -4.906 -19.093
121 HD3 LYS 14 3HD LYS 14 10.696 -3.468 -18.140
122 HE2 LYS 14 2HE LYS 14 12.855 -3.116 -19.030
123 HE3 LYS 14 3HE LYS 14 13.091 -3.535 -17.334
124 HZ1 LYS 14 3HZ LYS 14 14.623 -4.885 -18.308
125 HZ2 LYS 14 1HZ LYS 14 13.738 -5.077 -19.738
126 HZ3 LYS 14 2HZ LYS 14 13.293 -5.930 -18.347
127 H GLY 15 H GLY 15 7.167 -4.995 -14.867
128 HA2 GLY 15 2HA GLY 15 5.319 -6.802 -15.692
129 HA3 GLY 15 3HA GLY 15 4.939 -5.520 -14.553
130 H GLY 16 H GLY 16 5.413 -3.417 -16.572
131 HA2 GLY 16 2HA GLY 16 2.775 -3.566 -17.810
132 HA3 GLY 16 3HA GLY 16 3.784 -2.134 -17.681
133 H1 VAL 1 H VAL 1 10.679 -3.552 -28.792
134 HA VAL 1 HA VAL 1 10.089 -3.359 -25.961
135 HB VAL 1 HB VAL 1 12.458 -2.842 -25.942
136 HG11 VAL 1 1HG1 VAL 1 11.809 -0.697 -27.963
137 HG12 VAL 1 2HG1 VAL 1 13.380 -0.970 -27.207
138 HG13 VAL 1 3HG1 VAL 1 12.696 -2.186 -28.287
139 HG21 VAL 1 3HG2 VAL 1 10.521 -1.342 -24.806
140 HG22 VAL 1 1HG2 VAL 1 12.245 -1.097 -24.529
141 HG23 VAL 1 2HG2 VAL 1 11.392 -0.105 -25.711
142 H ALA 2 H ALA 2 8.714 -1.663 -25.449
143 HA ALA 2 HA ALA 2 7.154 -0.639 -27.615
144 HB1 ALA 2 1HB ALA 2 6.618 0.672 -25.106
145 HB2 ALA 2 2HB ALA 2 5.597 -0.419 -26.044
146 HB3 ALA 2 3HB ALA 2 6.757 -1.073 -24.888
147 H ARG 3 H ARG 3 8.710 1.149 -24.949
148 HA ARG 3 HA ARG 3 9.355 3.274 -26.888
149 HB2 ARG 3 2HB ARG 3 8.657 3.596 -23.963
150 HB3 ARG 3 3HB ARG 3 9.075 4.897 -25.070
151 HG2 ARG 3 2HG ARG 3 7.065 4.780 -26.184
152 HG3 ARG 3 3HG ARG 3 6.778 3.106 -25.706
153 HD2 ARG 3 2HD ARG 3 5.849 3.691 -23.732
154 HD3 ARG 3 3HD ARG 3 6.947 5.052 -23.502
155 HE ARG 3 HE ARG 3 5.343 5.885 -25.514
156 HH11 ARG 3 1HH1 ARG 3 4.726 4.573 -22.349
157 HH12 ARG 3 2HH1 ARG 3 3.238 5.435 -22.139
158 HH21 ARG 3 1HH2 ARG 3 3.385 7.025 -25.249
159 HH22 ARG 3 2HH2 ARG 3 2.475 6.828 -23.790
160 H GLY 4 H GLY 4 10.486 4.220 -23.973
161 HA2 GLY 4 2HA GLY 4 13.080 2.855 -24.323
162 HA3 GLY 4 3HA GLY 4 12.991 4.601 -24.141
163 H TRP 5 H TRP 5 12.394 1.527 -22.522
164 HA TRP 5 HA TRP 5 11.629 2.412 -20.021
165 HB2 TRP 5 2HB TRP 5 13.536 0.109 -20.380
166 HB3 TRP 5 3HB TRP 5 12.249 0.292 -19.191
167 HD1 TRP 5 HD1 TRP 5 12.721 -2.080 -21.532
168 HE1 TRP 5 HE1 TRP 5 10.655 -2.704 -22.935
169 HE3 TRP 5 HE3 TRP 5 9.883 2.088 -20.694
170 HZ2 TRP 5 HZ2 TRP 5 8.153 -1.577 -23.600
171 HZ3 TRP 5 HZ3 TRP 5 7.665 2.238 -21.751
172 HH2 TRP 5 HH2 TRP 5 6.821 0.442 -23.174
173 H LYS 6 H LYS 6 12.621 4.160 -19.152
174 HA LYS 6 HA LYS 6 15.514 3.932 -18.635
175 HB2 LYS 6 2HB LYS 6 13.872 6.433 -19.075
176 HB3 LYS 6 3HB LYS 6 15.566 6.416 -18.602
177 HG2 LYS 6 2HG LYS 6 16.281 5.928 -20.678
178 HG3 LYS 6 3HG LYS 6 14.907 4.874 -21.020
179 HD2 LYS 6 2HD LYS 6 13.508 6.989 -21.161
180 HD3 LYS 6 3HD LYS 6 15.032 7.878 -21.164
181 HE2 LYS 6 2HE LYS 6 15.332 5.845 -23.066
182 HE3 LYS 6 3HE LYS 6 13.712 6.494 -23.317
183 HZ1 LYS 6 3HZ LYS 6 16.261 7.687 -23.869
184 HZ2 LYS 6 1HZ LYS 6 15.241 8.712 -22.992
185 HZ3 LYS 6 2HZ LYS 6 14.731 8.080 -24.475
186 H ARG 7 H ARG 7 14.271 6.649 -17.201
187 HA ARG 7 HA ARG 7 14.386 5.414 -14.577
188 HB2 ARG 7 2HB ARG 7 13.838 8.004 -14.049
189 HB3 ARG 7 3HB ARG 7 15.462 7.390 -14.328
190 HG2 ARG 7 2HG ARG 7 15.544 8.237 -16.493
191 HG3 ARG 7 3HG ARG 7 13.791 8.407 -16.592
192 HD2 ARG 7 2HD ARG 7 13.798 10.411 -15.562
193 HD3 ARG 7 3HD ARG 7 15.077 9.944 -14.443
194 HE ARG 7 HE ARG 7 15.383 11.345 -16.913
195 HH11 ARG 7 1HH1 ARG 7 16.939 9.136 -14.718
196 HH12 ARG 7 2HH1 ARG 7 18.542 9.577 -15.204
197 HH21 ARG 7 1HH2 ARG 7 17.489 11.935 -17.561
198 HH22 ARG 7 2HH2 ARG 7 18.854 11.170 -16.821
199 H LYS 8 H LYS 8 12.220 8.014 -15.612
200 HA LYS 8 HA LYS 8 10.094 7.102 -13.980
201 HB2 LYS 8 2HB LYS 8 8.750 8.818 -15.251
202 HB3 LYS 8 3HB LYS 8 10.199 9.430 -14.464
203 HG2 LYS 8 2HG LYS 8 10.809 10.309 -16.399
204 HG3 LYS 8 3HG LYS 8 10.999 8.674 -17.037
205 HD2 LYS 8 2HD LYS 8 9.458 9.343 -18.537
206 HD3 LYS 8 3HD LYS 8 8.315 8.992 -17.238
207 HE2 LYS 8 2HE LYS 8 8.114 11.246 -16.652
208 HE3 LYS 8 3HE LYS 8 9.595 11.692 -17.497
209 HZ1 LYS 8 3HZ LYS 8 8.504 11.953 -19.411
210 HZ2 LYS 8 1HZ LYS 8 7.096 11.991 -18.473
211 HZ3 LYS 8 2HZ LYS 8 7.584 10.548 -19.208
212 H CYS 9 H CYS 9 10.039 4.856 -14.752
213 HA CYS 9 HA CYS 9 9.505 3.843 -17.182
214 HB2 CYS 9 2HB CYS 9 7.805 2.295 -15.923
215 HB3 CYS 9 3HB CYS 9 9.516 2.241 -15.512
216 HA PRO 10 HA PRO 10 5.916 6.370 -18.285
217 HB2 PRO 10 2HB PRO 10 6.129 5.883 -20.947
218 HB3 PRO 10 3HB PRO 10 7.106 7.096 -20.111
219 HG2 PRO 10 2HG PRO 10 7.832 4.305 -20.913
220 HG3 PRO 10 3HG PRO 10 8.791 5.791 -21.042
221 HD2 PRO 10 2HD PRO 10 9.159 3.987 -19.057
222 HD3 PRO 10 3HD PRO 10 9.418 5.728 -18.825
223 H LEU 11 H LEU 11 6.615 3.270 -19.919
224 HA LEU 11 HA LEU 11 3.751 2.643 -19.842
225 HB2 LEU 11 2HB LEU 11 5.169 2.533 -21.975
226 HB3 LEU 11 3HB LEU 11 5.861 1.068 -21.281
227 HG LEU 11 HG LEU 11 4.050 0.672 -22.945
228 HD11 LEU 11 1HD1 LEU 11 2.844 -0.419 -20.526
229 HD12 LEU 11 2HD1 LEU 11 4.593 -0.634 -20.597
230 HD13 LEU 11 3HD1 LEU 11 3.576 -1.243 -21.903
231 HD21 LEU 11 3HD2 LEU 11 2.218 1.745 -20.808
232 HD22 LEU 11 1HD2 LEU 11 1.774 1.144 -22.406
233 HD23 LEU 11 2HD2 LEU 11 2.683 2.648 -22.251
234 H PHE 12 H PHE 12 6.748 0.726 -19.584
235 HA PHE 12 HA PHE 12 5.574 -1.330 -18.065
236 HB2 PHE 12 2HB PHE 12 7.754 -2.223 -17.837
237 HB3 PHE 12 3HB PHE 12 7.748 -1.410 -19.399
238 HD1 PHE 12 HD2 PHE 12 8.311 1.282 -19.000
239 HD2 PHE 12 HD1 PHE 12 9.745 -2.025 -16.737
240 HE1 PHE 12 HE2 PHE 12 10.274 2.602 -18.322
241 HE2 PHE 12 HE1 PHE 12 11.710 -0.711 -16.054
242 HZ PHE 12 HZ PHE 12 11.977 1.605 -16.848
243 H GLY 13 H GLY 13 4.403 -0.067 -16.462
244 HA2 GLY 13 2HA GLY 13 6.137 0.611 -14.169
245 HA3 GLY 13 3HA GLY 13 4.768 1.620 -14.612
246 H LYS 14 H LYS 14 2.874 1.220 -13.668
247 HA LYS 14 HA LYS 14 2.496 -0.389 -11.516
248 HB2 LYS 14 2HB LYS 14 0.331 0.157 -13.550
249 HB3 LYS 14 3HB LYS 14 0.119 -0.153 -11.832
250 HG2 LYS 14 2HG LYS 14 1.315 1.945 -11.336
251 HG3 LYS 14 3HG LYS 14 1.422 2.264 -13.069
252 HD2 LYS 14 2HD LYS 14 -0.951 2.426 -13.260
253 HD3 LYS 14 3HD LYS 14 -1.182 1.835 -11.613
254 HE2 LYS 14 2HE LYS 14 -0.933 3.878 -10.758
255 HE3 LYS 14 3HE LYS 14 0.540 4.160 -11.683
256 HZ1 LYS 14 3HZ LYS 14 -2.100 4.338 -12.984
257 HZ2 LYS 14 1HZ LYS 14 -0.637 5.054 -13.442
258 HZ3 LYS 14 2HZ LYS 14 -1.489 5.649 -12.107
259 H GLY 15 H GLY 15 2.407 -1.337 -14.871
260 HA2 GLY 15 2HA GLY 15 1.022 -3.653 -14.970
261 HA3 GLY 15 3HA GLY 15 2.578 -3.465 -15.766
262 H GLY 16 H GLY 16 4.014 -3.157 -13.215
263 HA2 GLY 16 2HA GLY 16 4.291 -5.999 -12.651
264 HA3 GLY 16 3HA GLY 16 5.376 -4.720 -12.125
Start of MODEL 10
1 H1 VAL 1 H VAL 1 0.317 -1.054 -0.241
2 HA VAL 1 HA VAL 1 1.023 -0.456 -2.592
3 HB VAL 1 HB VAL 1 2.544 1.642 -1.037
4 HG11 VAL 1 1HG1 VAL 1 2.900 0.479 -3.715
5 HG12 VAL 1 2HG1 VAL 1 2.929 2.242 -3.645
6 HG13 VAL 1 3HG1 VAL 1 4.057 1.301 -2.669
7 HG21 VAL 1 3HG2 VAL 1 0.587 2.147 -3.252
8 HG22 VAL 1 1HG2 VAL 1 0.054 1.990 -1.578
9 HG23 VAL 1 2HG2 VAL 1 1.189 3.263 -2.027
10 H ALA 2 H ALA 2 2.763 -1.574 -3.381
11 HA ALA 2 HA ALA 2 4.057 -3.416 -1.744
12 HB1 ALA 2 1HB ALA 2 5.675 -2.976 -4.033
13 HB2 ALA 2 2HB ALA 2 4.525 -4.279 -3.732
14 HB3 ALA 2 3HB ALA 2 3.988 -2.792 -4.512
15 H ARG 3 H ARG 3 5.893 -1.010 -3.602
16 HA ARG 3 HA ARG 3 7.585 -0.597 -1.224
17 HB2 ARG 3 2HB ARG 3 8.351 -0.727 -4.141
18 HB3 ARG 3 3HB ARG 3 9.425 -0.112 -2.892
19 HG2 ARG 3 2HG ARG 3 10.045 -2.354 -3.267
20 HG3 ARG 3 3HG ARG 3 9.170 -2.331 -1.735
21 HD2 ARG 3 2HD ARG 3 7.349 -3.425 -2.602
22 HD3 ARG 3 3HD ARG 3 7.647 -2.845 -4.240
23 HE ARG 3 HE ARG 3 9.717 -4.460 -3.928
24 HH11 ARG 3 1HH1 ARG 3 6.380 -4.934 -3.058
25 HH12 ARG 3 2HH1 ARG 3 6.435 -6.653 -3.265
26 HH21 ARG 3 1HH2 ARG 3 9.802 -6.722 -4.204
27 HH22 ARG 3 2HH2 ARG 3 8.382 -7.670 -3.916
28 H GLY 4 H GLY 4 8.790 1.305 -3.571
29 HA2 GLY 4 2HA GLY 4 6.987 3.560 -2.956
30 HA3 GLY 4 3HA GLY 4 8.729 3.722 -2.786
31 H TRP 5 H TRP 5 6.059 3.610 -4.986
32 HA TRP 5 HA TRP 5 7.492 3.446 -7.409
33 HB2 TRP 5 2HB TRP 5 4.906 4.954 -7.109
34 HB3 TRP 5 3HB TRP 5 5.478 4.014 -8.484
35 HD1 TRP 5 HD1 TRP 5 2.689 3.671 -6.631
36 HE1 TRP 5 HE1 TRP 5 2.135 1.278 -5.862
37 HE3 TRP 5 HE3 TRP 5 7.307 1.550 -7.189
38 HZ2 TRP 5 HZ2 TRP 5 3.478 -1.183 -5.534
39 HZ3 TRP 5 HZ3 TRP 5 7.588 -0.829 -6.625
40 HH2 TRP 5 HH2 TRP 5 5.712 -2.165 -5.814
41 H LYS 6 H LYS 6 9.275 4.820 -7.305
42 HA LYS 6 HA LYS 6 8.666 7.702 -7.303
43 HB2 LYS 6 2HB LYS 6 11.203 7.880 -6.867
44 HB3 LYS 6 3HB LYS 6 10.165 7.367 -5.543
45 HG2 LYS 6 2HG LYS 6 11.081 5.320 -5.446
46 HG3 LYS 6 3HG LYS 6 11.238 5.192 -7.200
47 HD2 LYS 6 2HD LYS 6 13.446 5.330 -6.628
48 HD3 LYS 6 3HD LYS 6 13.083 7.048 -6.807
49 HE2 LYS 6 2HE LYS 6 12.409 6.649 -4.214
50 HE3 LYS 6 3HE LYS 6 13.717 5.482 -4.397
51 HZ1 LYS 6 3HZ LYS 6 14.526 7.859 -5.609
52 HZ2 LYS 6 1HZ LYS 6 15.149 7.139 -4.210
53 HZ3 LYS 6 2HZ LYS 6 13.894 8.266 -4.094
54 H ARG 7 H ARG 7 11.790 7.127 -8.285
55 HA ARG 7 HA ARG 7 11.143 7.840 -11.020
56 HB2 ARG 7 2HB ARG 7 13.799 7.494 -9.617
57 HB3 ARG 7 3HB ARG 7 13.609 8.047 -11.275
58 HG2 ARG 7 2HG ARG 7 12.671 9.439 -8.778
59 HG3 ARG 7 3HG ARG 7 13.969 9.942 -9.862
60 HD2 ARG 7 2HD ARG 7 12.336 11.260 -10.710
61 HD3 ARG 7 3HD ARG 7 11.963 9.801 -11.626
62 HE ARG 7 HE ARG 7 10.462 9.487 -9.423
63 HH11 ARG 7 1HH1 ARG 7 10.874 12.165 -11.610
64 HH12 ARG 7 2HH1 ARG 7 9.266 12.768 -11.381
65 HH21 ARG 7 1HH2 ARG 7 8.342 10.272 -9.114
66 HH22 ARG 7 2HH2 ARG 7 7.827 11.691 -9.961
67 H LYS 8 H LYS 8 13.747 5.678 -10.009
68 HA LYS 8 HA LYS 8 13.425 3.992 -12.262
69 HB2 LYS 8 2HB LYS 8 15.144 4.064 -9.858
70 HB3 LYS 8 3HB LYS 8 14.905 2.475 -10.573
71 HG2 LYS 8 2HG LYS 8 16.813 3.240 -11.626
72 HG3 LYS 8 3HG LYS 8 15.544 3.623 -12.791
73 HD2 LYS 8 2HD LYS 8 15.677 5.883 -12.396
74 HD3 LYS 8 3HD LYS 8 16.289 5.668 -10.754
75 HE2 LYS 8 2HE LYS 8 18.315 4.586 -12.155
76 HE3 LYS 8 3HE LYS 8 17.733 5.766 -13.328
77 HZ1 LYS 8 3HZ LYS 8 19.023 7.180 -12.204
78 HZ2 LYS 8 1HZ LYS 8 19.131 6.180 -10.844
79 HZ3 LYS 8 2HZ LYS 8 17.792 7.193 -11.044
80 H CYS 9 H CYS 9 11.154 3.465 -12.092
81 HA CYS 9 HA CYS 9 9.752 2.277 -10.125
82 HB2 CYS 9 2HB CYS 9 8.776 0.774 -12.037
83 HB3 CYS 9 3HB CYS 9 8.547 2.518 -12.087
84 HA PRO 10 HA PRO 10 12.506 -1.191 -9.213
85 HB2 PRO 10 2HB PRO 10 11.413 -1.691 -6.779
86 HB3 PRO 10 3HB PRO 10 12.605 -0.415 -7.053
87 HG2 PRO 10 2HG PRO 10 9.625 -0.212 -6.849
88 HG3 PRO 10 3HG PRO 10 10.869 0.839 -6.147
89 HD2 PRO 10 2HD PRO 10 9.514 1.490 -8.399
90 HD3 PRO 10 3HD PRO 10 11.197 1.982 -8.122
91 H LEU 11 H LEU 11 9.069 -1.282 -8.238
92 HA LEU 11 HA LEU 11 8.945 -4.077 -9.109
93 HB2 LEU 11 2HB LEU 11 8.149 -3.246 -6.814
94 HB3 LEU 11 3HB LEU 11 6.768 -2.582 -7.685
95 HG LEU 11 HG LEU 11 7.509 -5.500 -7.761
96 HD11 LEU 11 1HD1 LEU 11 6.755 -4.230 -5.484
97 HD12 LEU 11 2HD1 LEU 11 6.411 -5.919 -5.853
98 HD13 LEU 11 3HD1 LEU 11 5.191 -4.684 -6.162
99 HD21 LEU 11 3HD2 LEU 11 5.499 -3.828 -9.021
100 HD22 LEU 11 1HD2 LEU 11 4.790 -5.172 -8.126
101 HD23 LEU 11 2HD2 LEU 11 5.984 -5.485 -9.386
102 H PHE 12 H PHE 12 6.695 -1.308 -9.193
103 HA PHE 12 HA PHE 12 5.217 -2.291 -11.381
104 HB2 PHE 12 2HB PHE 12 4.046 -0.241 -11.337
105 HB3 PHE 12 3HB PHE 12 4.521 -0.524 -9.666
106 HD1 PHE 12 HD2 PHE 12 7.076 0.435 -9.260
107 HD2 PHE 12 HD1 PHE 12 4.168 1.946 -11.976
108 HE1 PHE 12 HE2 PHE 12 8.168 2.639 -9.197
109 HE2 PHE 12 HE1 PHE 12 5.255 4.153 -11.918
110 HZ PHE 12 HZ PHE 12 7.257 4.502 -10.526
111 H GLY 13 H GLY 13 7.010 -2.891 -12.807
112 HA2 GLY 13 2HA GLY 13 7.864 -0.585 -14.444
113 HA3 GLY 13 3HA GLY 13 8.958 -1.908 -14.069
114 H LYS 14 H LYS 14 9.096 -3.520 -15.486
115 HA LYS 14 HA LYS 14 7.992 -3.504 -17.987
116 HB2 LYS 14 2HB LYS 14 8.732 -5.971 -16.402
117 HB3 LYS 14 3HB LYS 14 8.589 -5.877 -18.152
118 HG2 LYS 14 2HG LYS 14 10.604 -4.438 -16.439
119 HG3 LYS 14 3HG LYS 14 10.910 -5.813 -17.504
120 HD2 LYS 14 2HD LYS 14 9.672 -3.951 -19.143
121 HD3 LYS 14 3HD LYS 14 10.740 -2.982 -18.124
122 HE2 LYS 14 2HE LYS 14 12.397 -3.559 -19.495
123 HE3 LYS 14 3HE LYS 14 12.270 -5.188 -18.833
124 HZ1 LYS 14 3HZ LYS 14 12.008 -4.623 -21.418
125 HZ2 LYS 14 1HZ LYS 14 10.387 -4.535 -20.941
126 HZ3 LYS 14 2HZ LYS 14 11.270 -5.953 -20.678
127 H GLY 15 H GLY 15 6.493 -4.488 -15.033
128 HA2 GLY 15 2HA GLY 15 4.566 -6.271 -15.666
129 HA3 GLY 15 3HA GLY 15 4.251 -4.890 -14.626
130 H GLY 16 H GLY 16 4.696 -2.947 -16.778
131 HA2 GLY 16 2HA GLY 16 2.021 -3.051 -17.889
132 HA3 GLY 16 3HA GLY 16 3.159 -1.719 -18.025
133 H1 VAL 1 H VAL 1 9.746 -2.877 -28.963
134 HA VAL 1 HA VAL 1 9.246 -2.732 -26.113
135 HB VAL 1 HB VAL 1 11.646 -2.350 -26.160
136 HG11 VAL 1 1HG1 VAL 1 12.703 -1.216 -27.759
137 HG12 VAL 1 2HG1 VAL 1 11.160 -1.147 -28.612
138 HG13 VAL 1 3HG1 VAL 1 11.649 0.183 -27.562
139 HG21 VAL 1 3HG2 VAL 1 9.814 -0.784 -24.918
140 HG22 VAL 1 1HG2 VAL 1 11.555 -0.678 -24.657
141 HG23 VAL 1 2HG2 VAL 1 10.762 0.428 -25.780
142 H ALA 2 H ALA 2 7.983 -0.976 -25.517
143 HA ALA 2 HA ALA 2 6.440 0.203 -27.621
144 HB1 ALA 2 1HB ALA 2 4.918 0.459 -26.022
145 HB2 ALA 2 2HB ALA 2 6.045 -0.329 -24.918
146 HB3 ALA 2 3HB ALA 2 6.018 1.430 -25.043
147 H ARG 3 H ARG 3 8.138 1.791 -24.913
148 HA ARG 3 HA ARG 3 8.858 3.962 -26.774
149 HB2 ARG 3 2HB ARG 3 8.227 4.188 -23.825
150 HB3 ARG 3 3HB ARG 3 8.707 5.514 -24.876
151 HG2 ARG 3 2HG ARG 3 6.683 5.402 -26.096
152 HG3 ARG 3 3HG ARG 3 6.244 3.861 -25.355
153 HD2 ARG 3 2HD ARG 3 6.026 4.955 -23.188
154 HD3 ARG 3 3HD ARG 3 6.506 6.493 -23.904
155 HE ARG 3 HE ARG 3 3.919 5.263 -24.025
156 HH11 ARG 3 1HH1 ARG 3 6.112 7.440 -25.629
157 HH12 ARG 3 2HH1 ARG 3 4.858 8.305 -26.453
158 HH21 ARG 3 1HH2 ARG 3 2.258 6.394 -25.104
159 HH22 ARG 3 2HH2 ARG 3 2.666 7.710 -26.153
160 H GLY 4 H GLY 4 10.090 4.707 -23.836
161 HA2 GLY 4 2HA GLY 4 12.605 3.237 -24.315
162 HA3 GLY 4 3HA GLY 4 12.606 4.971 -24.031
163 H TRP 5 H TRP 5 11.888 1.840 -22.579
164 HA TRP 5 HA TRP 5 11.212 2.612 -20.016
165 HB2 TRP 5 2HB TRP 5 12.995 0.246 -20.570
166 HB3 TRP 5 3HB TRP 5 11.770 0.420 -19.316
167 HD1 TRP 5 HD1 TRP 5 11.991 -1.861 -21.753
168 HE1 TRP 5 HE1 TRP 5 9.850 -2.286 -23.116
169 HE3 TRP 5 HE3 TRP 5 9.477 2.460 -20.683
170 HZ2 TRP 5 HZ2 TRP 5 7.417 -0.964 -23.666
171 HZ3 TRP 5 HZ3 TRP 5 7.248 2.803 -21.669
172 HH2 TRP 5 HH2 TRP 5 6.242 1.125 -23.129
173 H LYS 6 H LYS 6 12.308 4.278 -19.099
174 HA LYS 6 HA LYS 6 15.188 3.865 -18.621
175 HB2 LYS 6 2HB LYS 6 13.686 6.463 -18.988
176 HB3 LYS 6 3HB LYS 6 15.367 6.351 -18.483
177 HG2 LYS 6 2HG LYS 6 16.087 6.018 -20.566
178 HG3 LYS 6 3HG LYS 6 14.798 4.868 -20.926
179 HD2 LYS 6 2HD LYS 6 14.304 6.601 -22.371
180 HD3 LYS 6 3HD LYS 6 13.291 6.993 -20.979
181 HE2 LYS 6 2HE LYS 6 15.809 8.170 -20.512
182 HE3 LYS 6 3HE LYS 6 15.387 8.528 -22.186
183 HZ1 LYS 6 3HZ LYS 6 14.582 10.058 -20.250
184 HZ2 LYS 6 1HZ LYS 6 13.350 8.908 -20.111
185 HZ3 LYS 6 2HZ LYS 6 13.570 9.739 -21.567
186 H ARG 7 H ARG 7 14.045 6.599 -17.096
187 HA ARG 7 HA ARG 7 14.096 5.251 -14.514
188 HB2 ARG 7 2HB ARG 7 13.778 7.861 -13.888
189 HB3 ARG 7 3HB ARG 7 15.341 7.109 -14.174
190 HG2 ARG 7 2HG ARG 7 15.514 8.007 -16.322
191 HG3 ARG 7 3HG ARG 7 13.791 8.380 -16.400
192 HD2 ARG 7 2HD ARG 7 14.475 10.463 -15.891
193 HD3 ARG 7 3HD ARG 7 14.514 9.835 -14.244
194 HE ARG 7 HE ARG 7 16.779 10.076 -14.271
195 HH11 ARG 7 1HH1 ARG 7 15.639 9.958 -17.558
196 HH12 ARG 7 2HH1 ARG 7 17.194 10.286 -18.247
197 HH21 ARG 7 1HH2 ARG 7 18.832 10.509 -15.166
198 HH22 ARG 7 2HH2 ARG 7 19.010 10.599 -16.886
199 H LYS 8 H LYS 8 12.182 8.084 -15.425
200 HA LYS 8 HA LYS 8 9.987 7.359 -13.821
201 HB2 LYS 8 2HB LYS 8 10.297 9.340 -16.071
202 HB3 LYS 8 3HB LYS 8 8.782 9.142 -15.200
203 HG2 LYS 8 2HG LYS 8 9.826 10.944 -14.157
204 HG3 LYS 8 3HG LYS 8 10.141 9.577 -13.085
205 HD2 LYS 8 2HD LYS 8 12.370 9.539 -13.565
206 HD3 LYS 8 3HD LYS 8 12.136 10.136 -15.209
207 HE2 LYS 8 2HE LYS 8 11.301 12.216 -13.546
208 HE3 LYS 8 3HE LYS 8 12.766 11.586 -12.794
209 HZ1 LYS 8 3HZ LYS 8 12.767 12.075 -15.686
210 HZ2 LYS 8 1HZ LYS 8 14.043 12.165 -14.578
211 HZ3 LYS 8 2HZ LYS 8 12.891 13.401 -14.644
212 H CYS 9 H CYS 9 9.660 5.136 -14.500
213 HA CYS 9 HA CYS 9 9.078 4.065 -16.886
214 HB2 CYS 9 2HB CYS 9 7.483 3.677 -14.345
215 HB3 CYS 9 3HB CYS 9 7.380 2.623 -15.752
216 HA PRO 10 HA PRO 10 5.866 6.964 -18.238
217 HB2 PRO 10 2HB PRO 10 6.155 6.376 -20.873
218 HB3 PRO 10 3HB PRO 10 7.218 7.499 -20.017
219 HG2 PRO 10 2HG PRO 10 7.667 4.622 -20.710
220 HG3 PRO 10 3HG PRO 10 8.790 5.989 -20.826
221 HD2 PRO 10 2HD PRO 10 8.858 4.216 -18.780
222 HD3 PRO 10 3HD PRO 10 9.297 5.925 -18.578
223 H LEU 11 H LEU 11 6.290 3.774 -19.792
224 HA LEU 11 HA LEU 11 3.370 3.434 -19.714
225 HB2 LEU 11 2HB LEU 11 4.645 3.332 -21.912
226 HB3 LEU 11 3HB LEU 11 5.312 1.807 -21.331
227 HG LEU 11 HG LEU 11 2.348 2.236 -21.537
228 HD11 LEU 11 1HD1 LEU 11 3.964 2.498 -23.714
229 HD12 LEU 11 2HD1 LEU 11 2.296 1.928 -23.753
230 HD13 LEU 11 3HD1 LEU 11 3.623 0.767 -23.723
231 HD21 LEU 11 3HD2 LEU 11 2.311 0.173 -20.723
232 HD22 LEU 11 1HD2 LEU 11 4.074 0.121 -20.705
233 HD23 LEU 11 2HD2 LEU 11 3.192 -0.388 -22.145
234 H PHE 12 H PHE 12 6.253 1.333 -19.588
235 HA PHE 12 HA PHE 12 4.936 -0.728 -18.166
236 HB2 PHE 12 2HB PHE 12 7.028 -1.818 -18.084
237 HB3 PHE 12 3HB PHE 12 7.059 -0.899 -19.586
238 HD1 PHE 12 HD2 PHE 12 7.757 1.768 -18.787
239 HD2 PHE 12 HD1 PHE 12 9.169 -1.948 -17.265
240 HE1 PHE 12 HE2 PHE 12 9.846 2.857 -18.076
241 HE2 PHE 12 HE1 PHE 12 11.260 -0.865 -16.551
242 HZ PHE 12 HZ PHE 12 11.601 1.540 -16.957
243 H GLY 13 H GLY 13 3.942 0.653 -16.493
244 HA2 GLY 13 2HA GLY 13 5.798 1.016 -14.223
245 HA3 GLY 13 3HA GLY 13 4.519 2.170 -14.572
246 H LYS 14 H LYS 14 2.570 1.869 -13.676
247 HA LYS 14 HA LYS 14 2.116 0.218 -11.551
248 HB2 LYS 14 2HB LYS 14 0.002 1.108 -13.521
249 HB3 LYS 14 3HB LYS 14 -0.264 0.639 -11.847
250 HG2 LYS 14 2HG LYS 14 1.277 3.042 -12.805
251 HG3 LYS 14 3HG LYS 14 -0.327 3.043 -12.068
252 HD2 LYS 14 2HD LYS 14 0.647 2.095 -10.010
253 HD3 LYS 14 3HD LYS 14 2.247 2.172 -10.753
254 HE2 LYS 14 2HE LYS 14 0.426 4.489 -10.114
255 HE3 LYS 14 3HE LYS 14 1.942 4.080 -9.312
256 HZ1 LYS 14 3HZ LYS 14 1.499 5.513 -11.760
257 HZ2 LYS 14 1HZ LYS 14 2.652 4.285 -11.918
258 HZ3 LYS 14 2HZ LYS 14 2.857 5.492 -10.751
259 H GLY 15 H GLY 15 2.012 -0.605 -14.913
260 HA2 GLY 15 2HA GLY 15 0.383 -2.735 -15.174
261 HA3 GLY 15 3HA GLY 15 1.999 -2.718 -15.864
262 H GLY 16 H GLY 16 3.333 -2.681 -13.268
263 HA2 GLY 16 2HA GLY 16 3.555 -5.473 -12.872
264 HA3 GLY 16 3HA GLY 16 4.266 -4.231 -11.853
Start of MODEL 11
1 H1 VAL 1 H VAL 1 0.208 1.037 -0.120
2 HA VAL 1 HA VAL 1 0.923 0.502 -2.926
3 HB VAL 1 HB VAL 1 1.183 2.835 -2.344
4 HG11 VAL 1 1HG1 VAL 1 2.259 1.723 0.117
5 HG12 VAL 1 2HG1 VAL 1 3.275 3.001 -0.553
6 HG13 VAL 1 3HG1 VAL 1 1.576 3.317 -0.201
7 HG21 VAL 1 3HG2 VAL 1 3.181 3.097 -3.378
8 HG22 VAL 1 1HG2 VAL 1 4.018 2.003 -2.276
9 HG23 VAL 1 2HG2 VAL 1 3.039 1.352 -3.591
10 H ALA 2 H ALA 2 2.821 -0.585 -3.429
11 HA ALA 2 HA ALA 2 3.651 -2.564 -1.552
12 HB1 ALA 2 1HB ALA 2 4.287 -3.625 -3.394
13 HB2 ALA 2 2HB ALA 2 3.785 -2.218 -4.333
14 HB3 ALA 2 3HB ALA 2 5.452 -2.356 -3.774
15 H ARG 3 H ARG 3 5.757 -0.344 -3.374
16 HA ARG 3 HA ARG 3 7.340 0.019 -0.915
17 HB2 ARG 3 2HB ARG 3 8.373 -0.054 -3.755
18 HB3 ARG 3 3HB ARG 3 9.343 0.163 -2.304
19 HG2 ARG 3 2HG ARG 3 7.678 -2.289 -2.787
20 HG3 ARG 3 3HG ARG 3 9.350 -2.141 -3.332
21 HD2 ARG 3 2HD ARG 3 9.692 -1.408 -0.798
22 HD3 ARG 3 3HD ARG 3 8.255 -2.407 -0.588
23 HE ARG 3 HE ARG 3 10.337 -3.671 -2.116
24 HH11 ARG 3 1HH1 ARG 3 9.094 -3.054 1.076
25 HH12 ARG 3 2HH1 ARG 3 9.858 -4.439 1.783
26 HH21 ARG 3 1HH2 ARG 3 11.348 -5.498 -1.198
27 HH22 ARG 3 2HH2 ARG 3 11.141 -5.828 0.489
28 H GLY 4 H GLY 4 8.822 1.753 -3.227
29 HA2 GLY 4 2HA GLY 4 7.169 4.154 -2.742
30 HA3 GLY 4 3HA GLY 4 8.919 4.185 -2.582
31 H TRP 5 H TRP 5 6.236 4.167 -4.779
32 HA TRP 5 HA TRP 5 7.656 3.825 -7.191
33 HB2 TRP 5 2HB TRP 5 5.159 5.490 -6.937
34 HB3 TRP 5 3HB TRP 5 5.680 4.491 -8.292
35 HD1 TRP 5 HD1 TRP 5 2.897 4.357 -6.362
36 HE1 TRP 5 HE1 TRP 5 2.207 2.006 -5.573
37 HE3 TRP 5 HE3 TRP 5 7.346 1.933 -7.046
38 HZ2 TRP 5 HZ2 TRP 5 3.393 -0.539 -5.278
39 HZ3 TRP 5 HZ3 TRP 5 7.484 -0.459 -6.486
40 HH2 TRP 5 HH2 TRP 5 5.548 -1.668 -5.620
41 H LYS 6 H LYS 6 9.486 5.079 -7.292
42 HA LYS 6 HA LYS 6 9.109 7.997 -7.217
43 HB2 LYS 6 2HB LYS 6 11.692 7.949 -7.101
44 HB3 LYS 6 3HB LYS 6 10.778 7.513 -5.663
45 HG2 LYS 6 2HG LYS 6 11.110 5.149 -6.156
46 HG3 LYS 6 3HG LYS 6 12.010 5.576 -7.613
47 HD2 LYS 6 2HD LYS 6 13.012 6.907 -5.221
48 HD3 LYS 6 3HD LYS 6 13.084 5.146 -5.113
49 HE2 LYS 6 2HE LYS 6 14.011 5.547 -7.628
50 HE3 LYS 6 3HE LYS 6 14.588 7.008 -6.827
51 HZ1 LYS 6 3HZ LYS 6 15.041 4.292 -5.732
52 HZ2 LYS 6 1HZ LYS 6 15.788 5.737 -5.266
53 HZ3 LYS 6 2HZ LYS 6 16.134 5.053 -6.774
54 H ARG 7 H ARG 7 12.033 7.174 -8.584
55 HA ARG 7 HA ARG 7 11.089 7.958 -11.224
56 HB2 ARG 7 2HB ARG 7 13.735 7.717 -11.575
57 HB3 ARG 7 3HB ARG 7 12.991 9.158 -10.894
58 HG2 ARG 7 2HG ARG 7 13.786 6.980 -9.038
59 HG3 ARG 7 3HG ARG 7 15.051 7.987 -9.747
60 HD2 ARG 7 2HD ARG 7 12.805 9.549 -8.770
61 HD3 ARG 7 3HD ARG 7 13.545 8.573 -7.502
62 HE ARG 7 HE ARG 7 15.538 9.912 -8.990
63 HH11 ARG 7 1HH1 ARG 7 13.056 10.482 -6.617
64 HH12 ARG 7 2HH1 ARG 7 13.856 11.850 -5.917
65 HH21 ARG 7 1HH2 ARG 7 16.602 11.712 -8.078
66 HH22 ARG 7 2HH2 ARG 7 15.873 12.549 -6.750
67 H LYS 8 H LYS 8 13.708 5.709 -10.435
68 HA LYS 8 HA LYS 8 13.159 4.044 -12.657
69 HB2 LYS 8 2HB LYS 8 14.782 3.356 -10.203
70 HB3 LYS 8 3HB LYS 8 14.891 2.596 -11.785
71 HG2 LYS 8 2HG LYS 8 15.316 5.499 -11.782
72 HG3 LYS 8 3HG LYS 8 16.527 4.562 -10.903
73 HD2 LYS 8 2HD LYS 8 15.683 3.681 -13.629
74 HD3 LYS 8 3HD LYS 8 16.811 5.028 -13.464
75 HE2 LYS 8 2HE LYS 8 17.218 2.355 -12.138
76 HE3 LYS 8 3HE LYS 8 17.854 2.748 -13.735
77 HZ1 LYS 8 3HZ LYS 8 19.602 3.605 -12.703
78 HZ2 LYS 8 1HZ LYS 8 18.881 3.437 -11.182
79 HZ3 LYS 8 2HZ LYS 8 18.606 4.831 -12.098
80 H CYS 9 H CYS 9 10.864 3.657 -12.284
81 HA CYS 9 HA CYS 9 9.558 2.513 -10.246
82 HB2 CYS 9 2HB CYS 9 8.422 1.027 -12.101
83 HB3 CYS 9 3HB CYS 9 8.216 2.775 -12.103
84 HA PRO 10 HA PRO 10 12.234 -1.060 -9.507
85 HB2 PRO 10 2HB PRO 10 11.326 -1.482 -6.984
86 HB3 PRO 10 3HB PRO 10 12.548 -0.266 -7.374
87 HG2 PRO 10 2HG PRO 10 9.608 0.078 -6.929
88 HG3 PRO 10 3HG PRO 10 10.952 1.078 -6.348
89 HD2 PRO 10 2HD PRO 10 9.445 1.765 -8.490
90 HD3 PRO 10 3HD PRO 10 11.166 2.182 -8.359
91 H LEU 11 H LEU 11 8.863 -0.945 -8.330
92 HA LEU 11 HA LEU 11 8.549 -3.753 -9.119
93 HB2 LEU 11 2HB LEU 11 7.983 -2.898 -6.780
94 HB3 LEU 11 3HB LEU 11 6.590 -2.122 -7.530
95 HG LEU 11 HG LEU 11 6.116 -4.307 -6.406
96 HD11 LEU 11 1HD1 LEU 11 4.383 -4.530 -7.785
97 HD12 LEU 11 2HD1 LEU 11 5.418 -4.932 -9.155
98 HD13 LEU 11 3HD1 LEU 11 5.115 -3.244 -8.745
99 HD21 LEU 11 3HD2 LEU 11 7.600 -5.488 -8.749
100 HD22 LEU 11 1HD2 LEU 11 6.805 -6.355 -7.434
101 HD23 LEU 11 2HD2 LEU 11 8.247 -5.392 -7.111
102 H PHE 12 H PHE 12 6.478 -0.845 -9.088
103 HA PHE 12 HA PHE 12 4.770 -1.786 -11.132
104 HB2 PHE 12 2HB PHE 12 3.711 0.325 -11.028
105 HB3 PHE 12 3HB PHE 12 4.289 0.023 -9.392
106 HD1 PHE 12 HD1 PHE 12 6.887 0.864 -9.136
107 HD2 PHE 12 HD2 PHE 12 3.924 2.487 -11.726
108 HE1 PHE 12 HE1 PHE 12 8.092 3.009 -9.166
109 HE2 PHE 12 HE2 PHE 12 5.125 4.634 -11.761
110 HZ PHE 12 HZ PHE 12 7.212 4.897 -10.480
111 H GLY 13 H GLY 13 6.439 -2.485 -12.672
112 HA2 GLY 13 2HA GLY 13 7.269 -0.236 -14.400
113 HA3 GLY 13 3HA GLY 13 8.321 -1.611 -14.095
114 H LYS 14 H LYS 14 8.281 -3.218 -15.520
115 HA LYS 14 HA LYS 14 6.944 -3.153 -17.913
116 HB2 LYS 14 2HB LYS 14 7.965 -5.530 -16.358
117 HB3 LYS 14 3HB LYS 14 7.380 -5.642 -18.013
118 HG2 LYS 14 2HG LYS 14 9.283 -4.844 -18.851
119 HG3 LYS 14 3HG LYS 14 9.368 -3.547 -17.657
120 HD2 LYS 14 2HD LYS 14 9.874 -6.164 -16.495
121 HD3 LYS 14 3HD LYS 14 11.011 -5.768 -17.786
122 HE2 LYS 14 2HE LYS 14 11.495 -3.628 -16.676
123 HE3 LYS 14 3HE LYS 14 10.388 -4.063 -15.376
124 HZ1 LYS 14 3HZ LYS 14 12.898 -5.473 -16.102
125 HZ2 LYS 14 1HZ LYS 14 11.806 -6.004 -14.924
126 HZ3 LYS 14 2HZ LYS 14 12.629 -4.542 -14.716
127 H GLY 15 H GLY 15 5.708 -4.053 -14.833
128 HA2 GLY 15 2HA GLY 15 3.719 -5.837 -15.235
129 HA3 GLY 15 3HA GLY 15 3.506 -4.419 -14.218
130 H GLY 16 H GLY 16 3.782 -2.557 -16.473
131 HA2 GLY 16 2HA GLY 16 1.052 -2.370 -17.182
132 HA3 GLY 16 3HA GLY 16 2.360 -1.425 -17.877
133 H1 VAL 1 H VAL 1 8.577 -2.074 -29.198
134 HA VAL 1 HA VAL 1 7.555 -2.055 -26.448
135 HB VAL 1 HB VAL 1 9.727 -0.376 -27.711
136 HG11 VAL 1 1HG1 VAL 1 8.335 -0.242 -25.122
137 HG12 VAL 1 2HG1 VAL 1 10.096 -0.151 -25.045
138 HG13 VAL 1 3HG1 VAL 1 9.194 1.011 -26.018
139 HG21 VAL 1 3HG2 VAL 1 10.069 -2.504 -25.617
140 HG22 VAL 1 1HG2 VAL 1 10.145 -2.865 -27.342
141 HG23 VAL 1 2HG2 VAL 1 11.300 -1.742 -26.624
142 H ALA 2 H ALA 2 6.428 -0.311 -25.604
143 HA ALA 2 HA ALA 2 4.781 1.115 -27.446
144 HB1 ALA 2 1HB ALA 2 4.667 0.442 -24.731
145 HB2 ALA 2 2HB ALA 2 4.663 2.205 -24.791
146 HB3 ALA 2 3HB ALA 2 3.446 1.290 -25.681
147 H ARG 3 H ARG 3 6.788 2.450 -24.818
148 HA ARG 3 HA ARG 3 7.483 4.678 -26.619
149 HB2 ARG 3 2HB ARG 3 7.097 4.780 -23.621
150 HB3 ARG 3 3HB ARG 3 7.559 6.134 -24.644
151 HG2 ARG 3 2HG ARG 3 5.455 6.336 -25.560
152 HG3 ARG 3 3HG ARG 3 5.023 4.664 -25.198
153 HD2 ARG 3 2HD ARG 3 3.841 5.634 -23.535
154 HD3 ARG 3 3HD ARG 3 5.395 5.582 -22.705
155 HE ARG 3 HE ARG 3 5.411 7.859 -22.737
156 HH11 ARG 3 1HH1 ARG 3 3.275 6.736 -25.246
157 HH12 ARG 3 2HH1 ARG 3 2.744 8.326 -25.685
158 HH21 ARG 3 1HH2 ARG 3 4.720 9.957 -23.306
159 HH22 ARG 3 2HH2 ARG 3 3.568 10.157 -24.582
160 H GLY 4 H GLY 4 8.971 5.189 -23.746
161 HA2 GLY 4 2HA GLY 4 11.351 3.605 -24.476
162 HA3 GLY 4 3HA GLY 4 11.483 5.328 -24.152
163 H TRP 5 H TRP 5 10.885 2.177 -22.752
164 HA TRP 5 HA TRP 5 10.419 2.948 -20.102
165 HB2 TRP 5 2HB TRP 5 11.940 0.452 -20.807
166 HB3 TRP 5 3HB TRP 5 10.765 0.702 -19.519
167 HD1 TRP 5 HD1 TRP 5 10.806 -1.459 -22.140
168 HE1 TRP 5 HE1 TRP 5 8.577 -1.705 -23.403
169 HE3 TRP 5 HE3 TRP 5 8.521 2.847 -20.598
170 HZ2 TRP 5 HZ2 TRP 5 6.169 -0.264 -23.706
171 HZ3 TRP 5 HZ3 TRP 5 6.255 3.339 -21.421
172 HH2 TRP 5 HH2 TRP 5 5.105 1.815 -22.943
173 H LYS 6 H LYS 6 11.763 4.528 -19.338
174 HA LYS 6 HA LYS 6 14.613 3.813 -19.098
175 HB2 LYS 6 2HB LYS 6 13.278 6.384 -19.774
176 HB3 LYS 6 3HB LYS 6 14.720 6.463 -18.771
177 HG2 LYS 6 2HG LYS 6 15.026 6.690 -21.283
178 HG3 LYS 6 3HG LYS 6 16.075 5.548 -20.440
179 HD2 LYS 6 2HD LYS 6 14.972 3.701 -21.303
180 HD3 LYS 6 3HD LYS 6 13.498 4.612 -21.639
181 HE2 LYS 6 2HE LYS 6 14.580 4.114 -23.721
182 HE3 LYS 6 3HE LYS 6 14.733 5.843 -23.410
183 HZ1 LYS 6 3HZ LYS 6 16.979 5.587 -22.802
184 HZ2 LYS 6 1HZ LYS 6 16.790 4.683 -24.220
185 HZ3 LYS 6 2HZ LYS 6 16.862 3.902 -22.721
186 H ARG 7 H ARG 7 13.341 6.623 -17.550
187 HA ARG 7 HA ARG 7 13.704 5.315 -14.945
188 HB2 ARG 7 2HB ARG 7 13.843 8.204 -15.799
189 HB3 ARG 7 3HB ARG 7 13.795 7.718 -14.109
190 HG2 ARG 7 2HG ARG 7 15.971 7.317 -14.110
191 HG3 ARG 7 3HG ARG 7 15.815 6.229 -15.491
192 HD2 ARG 7 2HD ARG 7 15.798 8.253 -16.967
193 HD3 ARG 7 3HD ARG 7 16.182 9.219 -15.543
194 HE ARG 7 HE ARG 7 18.044 7.118 -15.799
195 HH11 ARG 7 1HH1 ARG 7 17.141 10.137 -17.280
196 HH12 ARG 7 2HH1 ARG 7 18.736 10.477 -17.865
197 HH21 ARG 7 1HH2 ARG 7 20.148 7.555 -16.564
198 HH22 ARG 7 2HH2 ARG 7 20.445 9.007 -17.457
199 H LYS 8 H LYS 8 11.880 8.245 -15.676
200 HA LYS 8 HA LYS 8 9.768 7.615 -13.940
201 HB2 LYS 8 2HB LYS 8 10.256 9.663 -16.039
202 HB3 LYS 8 3HB LYS 8 8.589 9.410 -15.539
203 HG2 LYS 8 2HG LYS 8 9.541 11.201 -14.258
204 HG3 LYS 8 3HG LYS 8 9.266 9.816 -13.199
205 HD2 LYS 8 2HD LYS 8 11.423 10.791 -12.712
206 HD3 LYS 8 3HD LYS 8 11.647 9.200 -13.444
207 HE2 LYS 8 2HE LYS 8 12.727 10.052 -15.206
208 HE3 LYS 8 3HE LYS 8 11.547 11.346 -15.408
209 HZ1 LYS 8 3HZ LYS 8 13.397 11.556 -13.159
210 HZ2 LYS 8 1HZ LYS 8 12.751 12.769 -14.144
211 HZ3 LYS 8 2HZ LYS 8 14.030 11.817 -14.705
212 H CYS 9 H CYS 9 9.296 5.407 -14.596
213 HA CYS 9 HA CYS 9 8.487 4.376 -16.933
214 HB2 CYS 9 2HB CYS 9 7.051 4.042 -14.291
215 HB3 CYS 9 3HB CYS 9 6.841 2.988 -15.685
216 HA PRO 10 HA PRO 10 5.310 7.422 -18.024
217 HB2 PRO 10 2HB PRO 10 5.375 6.844 -20.676
218 HB3 PRO 10 3HB PRO 10 6.546 7.915 -19.897
219 HG2 PRO 10 2HG PRO 10 6.819 5.027 -20.637
220 HG3 PRO 10 3HG PRO 10 7.988 6.346 -20.830
221 HD2 PRO 10 2HD PRO 10 8.134 4.555 -18.804
222 HD3 PRO 10 3HD PRO 10 8.659 6.242 -18.627
223 H LEU 11 H LEU 11 5.488 4.213 -19.584
224 HA LEU 11 HA LEU 11 2.567 4.002 -19.307
225 HB2 LEU 11 2HB LEU 11 3.695 3.847 -21.589
226 HB3 LEU 11 3HB LEU 11 4.304 2.282 -21.053
227 HG LEU 11 HG LEU 11 1.365 2.891 -21.062
228 HD11 LEU 11 1HD1 LEU 11 3.147 2.296 -23.357
229 HD12 LEU 11 2HD1 LEU 11 1.662 3.242 -23.290
230 HD13 LEU 11 3HD1 LEU 11 1.585 1.481 -23.293
231 HD21 LEU 11 3HD2 LEU 11 1.259 0.833 -20.244
232 HD22 LEU 11 1HD2 LEU 11 3.012 0.671 -20.351
233 HD23 LEU 11 2HD2 LEU 11 2.000 0.224 -21.725
234 H PHE 12 H PHE 12 5.353 1.771 -19.396
235 HA PHE 12 HA PHE 12 4.057 -0.232 -17.878
236 HB2 PHE 12 2HB PHE 12 6.098 -1.412 -17.951
237 HB3 PHE 12 3HB PHE 12 6.066 -0.485 -19.447
238 HD1 PHE 12 HD2 PHE 12 6.943 2.139 -18.707
239 HD2 PHE 12 HD1 PHE 12 8.275 -1.637 -17.263
240 HE1 PHE 12 HE2 PHE 12 9.123 3.129 -18.139
241 HE2 PHE 12 HE1 PHE 12 10.457 -0.653 -16.692
242 HZ PHE 12 HZ PHE 12 10.883 1.733 -17.131
243 H GLY 13 H GLY 13 3.251 1.215 -16.148
244 HA2 GLY 13 2HA GLY 13 5.278 1.482 -14.014
245 HA3 GLY 13 3HA GLY 13 4.027 2.690 -14.272
246 H LYS 14 H LYS 14 2.151 2.480 -13.216
247 HA LYS 14 HA LYS 14 1.760 0.888 -11.058
248 HB2 LYS 14 2HB LYS 14 -0.396 1.821 -12.963
249 HB3 LYS 14 3HB LYS 14 -0.662 1.288 -11.309
250 HG2 LYS 14 2HG LYS 14 0.903 3.706 -12.185
251 HG3 LYS 14 3HG LYS 14 -0.685 3.694 -11.415
252 HD2 LYS 14 2HD LYS 14 0.355 2.590 -9.438
253 HD3 LYS 14 3HD LYS 14 1.931 2.800 -10.206
254 HE2 LYS 14 2HE LYS 14 1.936 4.709 -8.995
255 HE3 LYS 14 3HE LYS 14 1.015 5.315 -10.372
256 HZ1 LYS 14 3HZ LYS 14 -0.703 5.688 -9.049
257 HZ2 LYS 14 1HZ LYS 14 0.220 5.210 -7.715
258 HZ3 LYS 14 2HZ LYS 14 -0.729 4.076 -8.536
259 H GLY 15 H GLY 15 1.326 -0.001 -14.402
260 HA2 GLY 15 2HA GLY 15 -0.283 -2.092 -14.575
261 HA3 GLY 15 3HA GLY 15 1.343 -2.189 -15.233
262 H GLY 16 H GLY 16 2.876 -2.324 -12.954
263 HA2 GLY 16 2HA GLY 16 3.745 -3.960 -11.586
264 HA3 GLY 16 3HA GLY 16 2.134 -3.959 -10.884
Start of MODEL 12
1 H1 VAL 1 H VAL 1 2.619 1.339 1.211
2 HA VAL 1 HA VAL 1 2.204 -0.418 -0.737
3 HB VAL 1 HB VAL 1 2.527 2.035 -1.076
4 HG11 VAL 1 1HG1 VAL 1 4.707 2.930 -1.519
5 HG12 VAL 1 2HG1 VAL 1 4.743 2.141 0.059
6 HG13 VAL 1 3HG1 VAL 1 5.448 1.340 -1.346
7 HG21 VAL 1 3HG2 VAL 1 2.284 0.417 -2.947
8 HG22 VAL 1 1HG2 VAL 1 3.212 1.855 -3.374
9 HG23 VAL 1 2HG2 VAL 1 4.042 0.332 -3.052
10 H ALA 2 H ALA 2 3.432 -1.647 -2.242
11 HA ALA 2 HA ALA 2 5.288 -3.384 -1.179
12 HB1 ALA 2 1HB ALA 2 4.104 -3.911 -3.203
13 HB2 ALA 2 2HB ALA 2 4.898 -2.590 -4.061
14 HB3 ALA 2 3HB ALA 2 5.837 -3.982 -3.521
15 H ARG 3 H ARG 3 6.319 -1.323 -3.861
16 HA ARG 3 HA ARG 3 8.742 -0.649 -2.326
17 HB2 ARG 3 2HB ARG 3 8.466 -1.568 -5.177
18 HB3 ARG 3 3HB ARG 3 9.863 -0.639 -4.650
19 HG2 ARG 3 2HG ARG 3 8.980 -3.290 -3.528
20 HG3 ARG 3 3HG ARG 3 10.331 -3.022 -4.632
21 HD2 ARG 3 2HD ARG 3 11.312 -1.497 -2.890
22 HD3 ARG 3 3HD ARG 3 10.050 -2.056 -1.793
23 HE ARG 3 HE ARG 3 11.319 -4.311 -2.806
24 HH11 ARG 3 1HH1 ARG 3 12.105 -1.546 -0.841
25 HH12 ARG 3 2HH1 ARG 3 13.330 -2.373 0.063
26 HH21 ARG 3 1HH2 ARG 3 12.929 -5.410 -1.623
27 HH22 ARG 3 2HH2 ARG 3 13.799 -4.571 -0.383
28 H GLY 4 H GLY 4 8.344 1.432 -1.787
29 HA2 GLY 4 2HA GLY 4 6.914 3.414 -2.706
30 HA3 GLY 4 3HA GLY 4 8.605 3.714 -2.334
31 H TRP 5 H TRP 5 6.252 3.252 -4.850
32 HA TRP 5 HA TRP 5 7.835 3.038 -7.102
33 HB2 TRP 5 2HB TRP 5 5.387 4.791 -7.047
34 HB3 TRP 5 3HB TRP 5 5.976 3.768 -8.355
35 HD1 TRP 5 HD1 TRP 5 3.139 3.805 -6.322
36 HE1 TRP 5 HE1 TRP 5 2.267 1.461 -5.714
37 HE3 TRP 5 HE3 TRP 5 7.314 1.072 -7.433
38 HZ2 TRP 5 HZ2 TRP 5 3.222 -1.195 -5.706
39 HZ3 TRP 5 HZ3 TRP 5 7.253 -1.365 -7.096
40 HH2 TRP 5 HH2 TRP 5 5.248 -2.473 -6.250
41 H LYS 6 H LYS 6 9.661 4.218 -7.284
42 HA LYS 6 HA LYS 6 9.434 7.145 -7.064
43 HB2 LYS 6 2HB LYS 6 11.884 5.381 -6.882
44 HB3 LYS 6 3HB LYS 6 11.893 7.137 -6.779
45 HG2 LYS 6 2HG LYS 6 11.365 7.099 -4.624
46 HG3 LYS 6 3HG LYS 6 10.037 5.969 -4.894
47 HD2 LYS 6 2HD LYS 6 11.541 4.859 -3.451
48 HD3 LYS 6 3HD LYS 6 11.800 4.152 -5.048
49 HE2 LYS 6 2HE LYS 6 13.852 5.160 -5.308
50 HE3 LYS 6 3HE LYS 6 13.461 6.481 -4.208
51 HZ1 LYS 6 3HZ LYS 6 14.473 3.807 -3.614
52 HZ2 LYS 6 1HZ LYS 6 13.403 4.494 -2.498
53 HZ3 LYS 6 2HZ LYS 6 14.844 5.289 -2.888
54 H ARG 7 H ARG 7 12.308 6.372 -8.483
55 HA ARG 7 HA ARG 7 11.383 7.285 -11.073
56 HB2 ARG 7 2HB ARG 7 14.095 6.813 -9.861
57 HB3 ARG 7 3HB ARG 7 13.907 7.110 -11.584
58 HG2 ARG 7 2HG ARG 7 14.208 9.248 -10.967
59 HG3 ARG 7 3HG ARG 7 12.483 9.167 -10.603
60 HD2 ARG 7 2HD ARG 7 12.820 9.266 -8.378
61 HD3 ARG 7 3HD ARG 7 14.255 8.244 -8.449
62 HE ARG 7 HE ARG 7 15.100 10.572 -9.536
63 HH11 ARG 7 1HH1 ARG 7 13.469 9.769 -6.567
64 HH12 ARG 7 2HH1 ARG 7 14.163 11.085 -5.678
65 HH21 ARG 7 1HH2 ARG 7 16.020 12.308 -8.376
66 HH22 ARG 7 2HH2 ARG 7 15.612 12.529 -6.708
67 H LYS 8 H LYS 8 13.887 4.861 -10.472
68 HA LYS 8 HA LYS 8 13.226 3.353 -12.763
69 HB2 LYS 8 2HB LYS 8 15.055 3.021 -10.442
70 HB3 LYS 8 3HB LYS 8 14.656 1.576 -11.362
71 HG2 LYS 8 2HG LYS 8 16.596 2.339 -12.370
72 HG3 LYS 8 3HG LYS 8 15.324 2.959 -13.424
73 HD2 LYS 8 2HD LYS 8 16.823 4.754 -13.112
74 HD3 LYS 8 3HD LYS 8 15.444 5.101 -12.065
75 HE2 LYS 8 2HE LYS 8 17.435 3.518 -10.694
76 HE3 LYS 8 3HE LYS 8 18.133 5.004 -11.336
77 HZ1 LYS 8 3HZ LYS 8 17.348 5.561 -9.225
78 HZ2 LYS 8 1HZ LYS 8 15.900 4.708 -9.421
79 HZ3 LYS 8 2HZ LYS 8 16.154 6.149 -10.269
80 H CYS 9 H CYS 9 10.947 3.004 -12.514
81 HA CYS 9 HA CYS 9 9.538 1.862 -10.515
82 HB2 CYS 9 2HB CYS 9 8.305 0.577 -12.433
83 HB3 CYS 9 3HB CYS 9 8.263 2.337 -12.391
84 HA PRO 10 HA PRO 10 11.968 -1.906 -9.945
85 HB2 PRO 10 2HB PRO 10 10.950 -2.442 -7.486
86 HB3 PRO 10 3HB PRO 10 12.249 -1.273 -7.754
87 HG2 PRO 10 2HG PRO 10 9.317 -0.795 -7.379
88 HG3 PRO 10 3HG PRO 10 10.692 0.088 -6.690
89 HD2 PRO 10 2HD PRO 10 9.300 0.998 -8.826
90 HD3 PRO 10 3HD PRO 10 11.035 1.308 -8.614
91 H LEU 11 H LEU 11 8.565 -1.673 -8.882
92 HA LEU 11 HA LEU 11 8.128 -4.394 -9.897
93 HB2 LEU 11 2HB LEU 11 7.568 -3.678 -7.490
94 HB3 LEU 11 3HB LEU 11 6.198 -2.836 -8.211
95 HG LEU 11 HG LEU 11 6.631 -5.771 -8.666
96 HD11 LEU 11 1HD1 LEU 11 4.692 -5.062 -6.603
97 HD12 LEU 11 2HD1 LEU 11 6.364 -4.741 -6.146
98 HD13 LEU 11 3HD1 LEU 11 5.884 -6.362 -6.646
99 HD21 LEU 11 3HD2 LEU 11 4.808 -5.506 -9.902
100 HD22 LEU 11 1HD2 LEU 11 4.698 -3.807 -9.441
101 HD23 LEU 11 2HD2 LEU 11 3.923 -5.041 -8.448
102 H PHE 12 H PHE 12 6.154 -1.437 -9.596
103 HA PHE 12 HA PHE 12 4.430 -2.081 -11.719
104 HB2 PHE 12 2HB PHE 12 3.515 0.079 -11.457
105 HB3 PHE 12 3HB PHE 12 4.081 -0.366 -9.851
106 HD1 PHE 12 HD1 PHE 12 6.739 0.280 -9.582
107 HD2 PHE 12 HD2 PHE 12 3.858 2.268 -12.003
108 HE1 PHE 12 HE1 PHE 12 8.083 2.339 -9.485
109 HE2 PHE 12 HE2 PHE 12 5.197 4.330 -11.911
110 HZ PHE 12 HZ PHE 12 7.314 4.367 -10.651
111 H GLY 13 H GLY 13 5.972 -2.775 -13.352
112 HA2 GLY 13 2HA GLY 13 6.999 -0.476 -14.897
113 HA3 GLY 13 3HA GLY 13 7.937 -1.951 -14.710
114 H LYS 14 H LYS 14 7.771 -3.421 -16.265
115 HA LYS 14 HA LYS 14 6.463 -3.078 -18.636
116 HB2 LYS 14 2HB LYS 14 7.131 -5.688 -17.264
117 HB3 LYS 14 3HB LYS 14 6.679 -5.544 -18.958
118 HG2 LYS 14 2HG LYS 14 9.097 -4.303 -17.660
119 HG3 LYS 14 3HG LYS 14 9.087 -5.726 -18.704
120 HD2 LYS 14 2HD LYS 14 8.200 -4.345 -20.540
121 HD3 LYS 14 3HD LYS 14 8.272 -2.927 -19.491
122 HE2 LYS 14 2HE LYS 14 10.589 -4.610 -20.437
123 HE3 LYS 14 3HE LYS 14 10.210 -2.958 -20.923
124 HZ1 LYS 14 3HZ LYS 14 11.607 -2.380 -19.303
125 HZ2 LYS 14 1HZ LYS 14 11.574 -3.909 -18.579
126 HZ3 LYS 14 2HZ LYS 14 10.363 -2.782 -18.228
127 H GLY 15 H GLY 15 5.118 -4.140 -15.632
128 HA2 GLY 15 2HA GLY 15 2.944 -5.630 -16.202
129 HA3 GLY 15 3HA GLY 15 2.884 -4.309 -15.045
130 H GLY 16 H GLY 16 3.369 -2.262 -17.085
131 HA2 GLY 16 2HA GLY 16 0.617 -1.991 -17.958
132 HA3 GLY 16 3HA GLY 16 1.879 -0.774 -18.085
133 H1 VAL 1 H VAL 1 8.144 -1.573 -29.637
134 HA VAL 1 HA VAL 1 7.171 -1.576 -26.863
135 HB VAL 1 HB VAL 1 9.437 0.004 -28.088
136 HG11 VAL 1 1HG1 VAL 1 9.800 0.068 -25.390
137 HG12 VAL 1 2HG1 VAL 1 9.051 1.355 -26.338
138 HG13 VAL 1 3HG1 VAL 1 8.043 0.163 -25.515
139 HG21 VAL 1 3HG2 VAL 1 10.931 -1.480 -27.006
140 HG22 VAL 1 1HG2 VAL 1 9.626 -2.247 -26.100
141 HG23 VAL 1 2HG2 VAL 1 9.755 -2.494 -27.842
142 H ALA 2 H ALA 2 6.160 0.222 -25.984
143 HA ALA 2 HA ALA 2 4.625 1.796 -27.813
144 HB1 ALA 2 1HB ALA 2 3.266 2.033 -26.072
145 HB2 ALA 2 2HB ALA 2 4.375 1.016 -25.151
146 HB3 ALA 2 3HB ALA 2 4.539 2.771 -25.100
147 H ARG 3 H ARG 3 6.683 2.887 -25.110
148 HA ARG 3 HA ARG 3 7.520 5.153 -26.799
149 HB2 ARG 3 2HB ARG 3 7.131 5.124 -23.800
150 HB3 ARG 3 3HB ARG 3 7.690 6.496 -24.748
151 HG2 ARG 3 2HG ARG 3 4.980 5.192 -24.901
152 HG3 ARG 3 3HG ARG 3 5.360 6.766 -24.200
153 HD2 ARG 3 2HD ARG 3 5.649 5.975 -27.097
154 HD3 ARG 3 3HD ARG 3 4.408 7.028 -26.420
155 HE ARG 3 HE ARG 3 6.899 8.105 -25.771
156 HH11 ARG 3 1HH1 ARG 3 4.947 7.490 -28.587
157 HH12 ARG 3 2HH1 ARG 3 5.603 8.814 -29.492
158 HH21 ARG 3 1HH2 ARG 3 7.770 9.852 -26.952
159 HH22 ARG 3 2HH2 ARG 3 7.209 10.156 -28.561
160 H GLY 4 H GLY 4 9.037 5.432 -23.913
161 HA2 GLY 4 2HA GLY 4 11.322 3.758 -24.745
162 HA3 GLY 4 3HA GLY 4 11.547 5.440 -24.289
163 H TRP 5 H TRP 5 10.593 2.261 -23.109
164 HA TRP 5 HA TRP 5 10.191 2.820 -20.431
165 HB2 TRP 5 2HB TRP 5 11.636 0.347 -21.368
166 HB3 TRP 5 3HB TRP 5 10.533 0.517 -20.005
167 HD1 TRP 5 HD1 TRP 5 10.310 -1.493 -22.671
168 HE1 TRP 5 HE1 TRP 5 8.042 -1.529 -23.886
169 HE3 TRP 5 HE3 TRP 5 8.405 2.932 -20.962
170 HZ2 TRP 5 HZ2 TRP 5 5.748 0.104 -24.093
171 HZ3 TRP 5 HZ3 TRP 5 6.167 3.623 -21.717
172 HH2 TRP 5 HH2 TRP 5 4.868 2.237 -23.251
173 H LYS 6 H LYS 6 11.548 4.265 -19.475
174 HA LYS 6 HA LYS 6 14.376 3.466 -19.255
175 HB2 LYS 6 2HB LYS 6 13.230 6.264 -19.243
176 HB3 LYS 6 3HB LYS 6 14.923 5.860 -18.987
177 HG2 LYS 6 2HG LYS 6 15.318 5.600 -21.173
178 HG3 LYS 6 3HG LYS 6 13.787 4.768 -21.454
179 HD2 LYS 6 2HD LYS 6 13.477 6.721 -22.641
180 HD3 LYS 6 3HD LYS 6 12.759 7.139 -21.083
181 HE2 LYS 6 2HE LYS 6 15.036 8.077 -20.459
182 HE3 LYS 6 3HE LYS 6 15.456 7.918 -22.164
183 HZ1 LYS 6 3HZ LYS 6 13.049 9.397 -21.291
184 HZ2 LYS 6 1HZ LYS 6 13.857 9.483 -22.775
185 HZ3 LYS 6 2HZ LYS 6 14.562 10.146 -21.389
186 H ARG 7 H ARG 7 13.843 6.153 -17.426
187 HA ARG 7 HA ARG 7 13.861 4.606 -14.975
188 HB2 ARG 7 2HB ARG 7 14.168 7.551 -15.555
189 HB3 ARG 7 3HB ARG 7 14.127 6.900 -13.922
190 HG2 ARG 7 2HG ARG 7 16.342 6.763 -14.121
191 HG3 ARG 7 3HG ARG 7 16.024 5.336 -15.110
192 HD2 ARG 7 2HD ARG 7 16.117 6.650 -17.124
193 HD3 ARG 7 3HD ARG 7 16.253 8.140 -16.192
194 HE ARG 7 HE ARG 7 18.363 6.356 -15.555
195 HH11 ARG 7 1HH1 ARG 7 17.260 8.556 -18.019
196 HH12 ARG 7 2HH1 ARG 7 18.853 8.907 -18.602
197 HH21 ARG 7 1HH2 ARG 7 20.465 6.811 -16.314
198 HH22 ARG 7 2HH2 ARG 7 20.675 7.913 -17.632
199 H LYS 8 H LYS 8 12.204 7.687 -15.503
200 HA LYS 8 HA LYS 8 10.064 7.040 -13.786
201 HB2 LYS 8 2HB LYS 8 10.699 9.246 -15.671
202 HB3 LYS 8 3HB LYS 8 9.013 9.056 -15.207
203 HG2 LYS 8 2HG LYS 8 9.845 10.576 -13.665
204 HG3 LYS 8 3HG LYS 8 9.882 9.041 -12.795
205 HD2 LYS 8 2HD LYS 8 12.159 8.942 -12.792
206 HD3 LYS 8 3HD LYS 8 12.306 9.798 -14.329
207 HE2 LYS 8 2HE LYS 8 11.173 11.445 -12.211
208 HE3 LYS 8 3HE LYS 8 12.787 10.849 -11.826
209 HZ1 LYS 8 3HZ LYS 8 13.421 12.633 -13.006
210 HZ2 LYS 8 1HZ LYS 8 11.952 12.762 -13.836
211 HZ3 LYS 8 2HZ LYS 8 13.119 11.650 -14.350
212 H CYS 9 H CYS 9 9.424 4.952 -14.631
213 HA CYS 9 HA CYS 9 8.556 4.215 -17.067
214 HB2 CYS 9 2HB CYS 9 7.110 3.695 -14.462
215 HB3 CYS 9 3HB CYS 9 6.843 2.801 -15.954
216 HA PRO 10 HA PRO 10 5.567 7.534 -17.817
217 HB2 PRO 10 2HB PRO 10 5.549 7.191 -20.510
218 HB3 PRO 10 3HB PRO 10 6.803 8.108 -19.666
219 HG2 PRO 10 2HG PRO 10 6.866 5.285 -20.663
220 HG3 PRO 10 3HG PRO 10 8.119 6.536 -20.765
221 HD2 PRO 10 2HD PRO 10 8.175 4.566 -18.908
222 HD3 PRO 10 3HD PRO 10 8.817 6.192 -18.595
223 H LEU 11 H LEU 11 5.487 4.506 -19.715
224 HA LEU 11 HA LEU 11 2.568 4.462 -19.386
225 HB2 LEU 11 2HB LEU 11 3.663 4.413 -21.687
226 HB3 LEU 11 3HB LEU 11 4.170 2.773 -21.286
227 HG LEU 11 HG LEU 11 2.122 2.932 -22.713
228 HD11 LEU 11 1HD1 LEU 11 1.059 1.633 -20.340
229 HD12 LEU 11 2HD1 LEU 11 2.738 1.201 -20.665
230 HD13 LEU 11 3HD1 LEU 11 1.507 0.950 -21.904
231 HD21 LEU 11 3HD2 LEU 11 0.422 3.528 -20.398
232 HD22 LEU 11 1HD2 LEU 11 0.263 4.020 -22.084
233 HD23 LEU 11 2HD2 LEU 11 1.348 4.901 -21.008
234 H PHE 12 H PHE 12 5.164 2.034 -19.714
235 HA PHE 12 HA PHE 12 3.742 0.022 -18.333
236 HB2 PHE 12 2HB PHE 12 5.692 -1.296 -18.528
237 HB3 PHE 12 3HB PHE 12 5.704 -0.260 -19.951
238 HD1 PHE 12 HD2 PHE 12 6.770 2.239 -19.002
239 HD2 PHE 12 HD1 PHE 12 7.870 -1.734 -17.942
240 HE1 PHE 12 HE2 PHE 12 9.024 3.025 -18.408
241 HE2 PHE 12 HE1 PHE 12 10.126 -0.954 -17.346
242 HZ PHE 12 HZ PHE 12 10.706 1.428 -17.580
243 H GLY 13 H GLY 13 3.064 1.364 -16.475
244 HA2 GLY 13 2HA GLY 13 5.127 1.302 -14.360
245 HA3 GLY 13 3HA GLY 13 3.979 2.625 -14.501
246 H LYS 14 H LYS 14 2.075 2.475 -13.473
247 HA LYS 14 HA LYS 14 1.586 0.728 -11.440
248 HB2 LYS 14 2HB LYS 14 -0.326 2.265 -13.185
249 HB3 LYS 14 3HB LYS 14 -0.890 1.301 -11.827
250 HG2 LYS 14 2HG LYS 14 -0.466 2.981 -10.457
251 HG3 LYS 14 3HG LYS 14 1.240 2.925 -10.905
252 HD2 LYS 14 2HD LYS 14 0.251 4.217 -13.043
253 HD3 LYS 14 3HD LYS 14 -0.910 4.736 -11.819
254 HE2 LYS 14 2HE LYS 14 1.760 4.876 -10.773
255 HE3 LYS 14 3HE LYS 14 1.664 5.755 -12.298
256 HZ1 LYS 14 3HZ LYS 14 -0.548 6.610 -11.106
257 HZ2 LYS 14 1HZ LYS 14 0.945 7.390 -10.951
258 HZ3 LYS 14 2HZ LYS 14 0.413 6.335 -9.741
259 H GLY 15 H GLY 15 1.126 0.180 -14.832
260 HA2 GLY 15 2HA GLY 15 -0.742 -1.748 -15.085
261 HA3 GLY 15 3HA GLY 15 0.801 -1.839 -15.921
262 H GLY 16 H GLY 16 2.340 -2.130 -13.449
263 HA2 GLY 16 2HA GLY 16 2.299 -4.957 -13.275
264 HA3 GLY 16 3HA GLY 16 3.226 -3.875 -12.246
Start of MODEL 13
1 H1 VAL 1 H VAL 1 -0.511 -1.297 -2.110
2 HA VAL 1 HA VAL 1 1.259 -1.144 -3.547
3 HB VAL 1 HB VAL 1 1.050 1.201 -2.996
4 HG11 VAL 1 1HG1 VAL 1 1.959 0.367 -0.447
5 HG12 VAL 1 2HG1 VAL 1 3.109 1.554 -1.065
6 HG13 VAL 1 3HG1 VAL 1 1.397 1.963 -0.941
7 HG21 VAL 1 3HG2 VAL 1 3.988 0.896 -2.808
8 HG22 VAL 1 1HG2 VAL 1 3.185 0.099 -4.161
9 HG23 VAL 1 2HG2 VAL 1 3.015 1.840 -3.935
10 H ALA 2 H ALA 2 3.348 -1.856 -3.955
11 HA ALA 2 HA ALA 2 4.457 -3.623 -2.012
12 HB1 ALA 2 1HB ALA 2 4.641 -3.282 -4.792
13 HB2 ALA 2 2HB ALA 2 6.280 -3.106 -4.162
14 HB3 ALA 2 3HB ALA 2 5.352 -4.564 -3.811
15 H ARG 3 H ARG 3 6.172 -1.057 -3.789
16 HA ARG 3 HA ARG 3 7.563 -0.383 -1.279
17 HB2 ARG 3 2HB ARG 3 8.697 -0.267 -4.079
18 HB3 ARG 3 3HB ARG 3 9.551 0.134 -2.596
19 HG2 ARG 3 2HG ARG 3 8.427 -2.592 -3.190
20 HG3 ARG 3 3HG ARG 3 10.087 -2.108 -3.544
21 HD2 ARG 3 2HD ARG 3 10.007 -1.376 -0.992
22 HD3 ARG 3 3HD ARG 3 8.768 -2.629 -0.936
23 HE ARG 3 HE ARG 3 11.591 -3.009 -1.205
24 HH11 ARG 3 1HH1 ARG 3 8.471 -4.357 -1.957
25 HH12 ARG 3 2HH1 ARG 3 9.055 -5.984 -2.066
26 HH21 ARG 3 1HH2 ARG 3 12.372 -5.147 -1.345
27 HH22 ARG 3 2HH2 ARG 3 11.274 -6.433 -1.717
28 H GLY 4 H GLY 4 8.773 1.594 -3.552
29 HA2 GLY 4 2HA GLY 4 6.670 3.633 -3.162
30 HA3 GLY 4 3HA GLY 4 8.373 4.002 -2.929
31 H TRP 5 H TRP 5 5.848 3.424 -5.244
32 HA TRP 5 HA TRP 5 7.407 3.364 -7.587
33 HB2 TRP 5 2HB TRP 5 4.631 4.523 -7.459
34 HB3 TRP 5 3HB TRP 5 5.389 3.636 -8.778
35 HD1 TRP 5 HD1 TRP 5 2.600 2.979 -6.976
36 HE1 TRP 5 HE1 TRP 5 2.337 0.546 -6.180
37 HE3 TRP 5 HE3 TRP 5 7.460 1.453 -7.412
38 HZ2 TRP 5 HZ2 TRP 5 3.973 -1.721 -5.788
39 HZ3 TRP 5 HZ3 TRP 5 8.027 -0.863 -6.806
40 HH2 TRP 5 HH2 TRP 5 6.319 -2.415 -6.010
41 H LYS 6 H LYS 6 8.966 4.941 -7.640
42 HA LYS 6 HA LYS 6 8.012 7.728 -7.701
43 HB2 LYS 6 2HB LYS 6 10.763 6.667 -7.031
44 HB3 LYS 6 3HB LYS 6 10.334 8.370 -7.125
45 HG2 LYS 6 2HG LYS 6 9.321 8.363 -5.116
46 HG3 LYS 6 3HG LYS 6 8.665 6.739 -5.332
47 HD2 LYS 6 2HD LYS 6 10.247 6.616 -3.562
48 HD3 LYS 6 3HD LYS 6 10.998 5.865 -4.972
49 HE2 LYS 6 2HE LYS 6 12.733 7.216 -4.607
50 HE3 LYS 6 3HE LYS 6 11.708 8.527 -5.190
51 HZ1 LYS 6 3HZ LYS 6 11.576 9.397 -3.161
52 HZ2 LYS 6 1HZ LYS 6 12.851 8.372 -2.728
53 HZ3 LYS 6 2HZ LYS 6 11.252 7.906 -2.431
54 H ARG 7 H ARG 7 11.167 7.590 -8.670
55 HA ARG 7 HA ARG 7 10.433 8.060 -11.435
56 HB2 ARG 7 2HB ARG 7 13.043 8.283 -9.935
57 HB3 ARG 7 3HB ARG 7 12.904 8.565 -11.666
58 HG2 ARG 7 2HG ARG 7 12.527 10.689 -11.132
59 HG3 ARG 7 3HG ARG 7 10.922 10.156 -10.628
60 HD2 ARG 7 2HD ARG 7 12.526 9.568 -8.455
61 HD3 ARG 7 3HD ARG 7 13.158 11.108 -9.035
62 HE ARG 7 HE ARG 7 10.603 10.633 -7.798
63 HH11 ARG 7 1HH1 ARG 7 12.453 12.741 -9.860
64 HH12 ARG 7 2HH1 ARG 7 11.466 14.130 -9.546
65 HH21 ARG 7 1HH2 ARG 7 9.295 12.454 -7.376
66 HH22 ARG 7 2HH2 ARG 7 9.670 13.966 -8.133
67 H LYS 8 H LYS 8 13.326 6.379 -10.288
68 HA LYS 8 HA LYS 8 13.376 4.596 -12.470
69 HB2 LYS 8 2HB LYS 8 14.841 4.806 -9.875
70 HB3 LYS 8 3HB LYS 8 14.984 3.321 -10.805
71 HG2 LYS 8 2HG LYS 8 16.801 4.601 -11.488
72 HG3 LYS 8 3HG LYS 8 15.612 4.828 -12.773
73 HD2 LYS 8 2HD LYS 8 16.539 6.967 -12.270
74 HD3 LYS 8 3HD LYS 8 14.900 6.936 -11.616
75 HE2 LYS 8 2HE LYS 8 15.625 6.883 -9.439
76 HE3 LYS 8 3HE LYS 8 17.160 6.122 -9.855
77 HZ1 LYS 8 3HZ LYS 8 16.810 8.747 -9.291
78 HZ2 LYS 8 1HZ LYS 8 16.848 8.745 -10.982
79 HZ3 LYS 8 2HZ LYS 8 18.139 8.092 -10.107
80 H CYS 9 H CYS 9 11.238 3.710 -12.490
81 HA CYS 9 HA CYS 9 9.823 2.417 -10.603
82 HB2 CYS 9 2HB CYS 9 10.317 1.330 -13.384
83 HB3 CYS 9 3HB CYS 9 8.954 0.927 -12.345
84 HA PRO 10 HA PRO 10 12.963 -0.534 -9.216
85 HB2 PRO 10 2HB PRO 10 11.740 -1.040 -6.846
86 HB3 PRO 10 3HB PRO 10 12.760 0.378 -7.117
87 HG2 PRO 10 2HG PRO 10 9.776 0.155 -7.166
88 HG3 PRO 10 3HG PRO 10 10.792 1.417 -6.446
89 HD2 PRO 10 2HD PRO 10 9.564 1.724 -8.840
90 HD3 PRO 10 3HD PRO 10 11.129 2.473 -8.467
91 H LEU 11 H LEU 11 9.509 -1.080 -8.478
92 HA LEU 11 HA LEU 11 9.857 -3.887 -9.269
93 HB2 LEU 11 2HB LEU 11 8.959 -3.244 -6.978
94 HB3 LEU 11 3HB LEU 11 7.502 -2.714 -7.816
95 HG LEU 11 HG LEU 11 7.377 -4.990 -6.772
96 HD11 LEU 11 1HD1 LEU 11 6.973 -5.631 -9.573
97 HD12 LEU 11 2HD1 LEU 11 6.340 -4.042 -9.145
98 HD13 LEU 11 3HD1 LEU 11 5.800 -5.472 -8.266
99 HD21 LEU 11 3HD2 LEU 11 9.706 -5.645 -7.353
100 HD22 LEU 11 1HD2 LEU 11 9.203 -5.778 -9.038
101 HD23 LEU 11 2HD2 LEU 11 8.493 -6.837 -7.820
102 H PHE 12 H PHE 12 7.228 -1.475 -9.384
103 HA PHE 12 HA PHE 12 5.900 -2.703 -11.549
104 HB2 PHE 12 2HB PHE 12 4.434 -0.860 -11.519
105 HB3 PHE 12 3HB PHE 12 4.969 -1.021 -9.850
106 HD1 PHE 12 HD2 PHE 12 7.432 0.301 -9.620
107 HD2 PHE 12 HD1 PHE 12 4.134 1.327 -12.109
108 HE1 PHE 12 HE2 PHE 12 8.175 2.647 -9.634
109 HE2 PHE 12 HE1 PHE 12 4.873 3.673 -12.127
110 HZ PHE 12 HZ PHE 12 6.896 4.336 -10.887
111 H GLY 13 H GLY 13 7.782 -3.049 -12.958
112 HA2 GLY 13 2HA GLY 13 8.272 -0.671 -14.641
113 HA3 GLY 13 3HA GLY 13 9.556 -1.801 -14.241
114 H LYS 14 H LYS 14 9.927 -3.437 -15.595
115 HA LYS 14 HA LYS 14 8.909 -3.639 -18.111
116 HB2 LYS 14 2HB LYS 14 10.012 -5.803 -16.324
117 HB3 LYS 14 3HB LYS 14 9.627 -6.079 -18.017
118 HG2 LYS 14 2HG LYS 14 11.400 -4.877 -18.763
119 HG3 LYS 14 3HG LYS 14 11.374 -3.774 -17.384
120 HD2 LYS 14 2HD LYS 14 12.081 -5.936 -16.062
121 HD3 LYS 14 3HD LYS 14 12.640 -6.461 -17.652
122 HE2 LYS 14 2HE LYS 14 14.204 -4.751 -17.803
123 HE3 LYS 14 3HE LYS 14 13.381 -3.758 -16.601
124 HZ1 LYS 14 3HZ LYS 14 14.568 -6.349 -15.844
125 HZ2 LYS 14 1HZ LYS 14 14.226 -5.010 -14.868
126 HZ3 LYS 14 2HZ LYS 14 15.532 -4.963 -15.943
127 H GLY 15 H GLY 15 7.440 -4.737 -15.170
128 HA2 GLY 15 2HA GLY 15 5.748 -6.700 -15.610
129 HA3 GLY 15 3HA GLY 15 5.149 -5.196 -14.925
130 H GLY 16 H GLY 16 5.108 -3.476 -16.996
131 HA2 GLY 16 2HA GLY 16 3.906 -2.855 -18.851
132 HA3 GLY 16 3HA GLY 16 4.133 -4.496 -19.437
133 H1 VAL 1 H VAL 1 11.541 -2.554 -29.048
134 HA VAL 1 HA VAL 1 10.106 -2.574 -26.520
135 HB VAL 1 HB VAL 1 12.141 -0.614 -27.591
136 HG11 VAL 1 1HG1 VAL 1 10.474 -0.654 -25.166
137 HG12 VAL 1 2HG1 VAL 1 12.186 -0.312 -24.907
138 HG13 VAL 1 3HG1 VAL 1 11.239 0.700 -25.998
139 HG21 VAL 1 3HG2 VAL 1 13.753 -1.718 -26.252
140 HG22 VAL 1 1HG2 VAL 1 12.522 -2.693 -25.450
141 HG23 VAL 1 2HG2 VAL 1 12.908 -2.981 -27.146
142 H ALA 2 H ALA 2 8.653 -1.010 -25.846
143 HA ALA 2 HA ALA 2 7.023 0.144 -27.879
144 HB1 ALA 2 1HB ALA 2 6.481 1.255 -25.289
145 HB2 ALA 2 2HB ALA 2 5.508 0.147 -26.257
146 HB3 ALA 2 3HB ALA 2 6.737 -0.486 -25.163
147 H ARG 3 H ARG 3 8.541 1.800 -25.110
148 HA ARG 3 HA ARG 3 9.101 4.070 -26.904
149 HB2 ARG 3 2HB ARG 3 8.379 4.169 -23.969
150 HB3 ARG 3 3HB ARG 3 8.765 5.557 -24.977
151 HG2 ARG 3 2HG ARG 3 6.784 5.365 -26.204
152 HG3 ARG 3 3HG ARG 3 6.497 3.716 -25.644
153 HD2 ARG 3 2HD ARG 3 5.898 4.447 -23.484
154 HD3 ARG 3 3HD ARG 3 6.544 6.062 -23.768
155 HE ARG 3 HE ARG 3 4.565 6.640 -24.759
156 HH11 ARG 3 1HH1 ARG 3 4.757 3.171 -24.537
157 HH12 ARG 3 2HH1 ARG 3 3.124 2.917 -25.057
158 HH21 ARG 3 1HH2 ARG 3 2.413 6.318 -25.446
159 HH22 ARG 3 2HH2 ARG 3 1.792 4.708 -25.575
160 H GLY 4 H GLY 4 10.183 4.832 -23.904
161 HA2 GLY 4 2HA GLY 4 12.831 3.606 -24.342
162 HA3 GLY 4 3HA GLY 4 12.677 5.331 -24.046
163 H TRP 5 H TRP 5 12.447 2.140 -22.645
164 HA TRP 5 HA TRP 5 11.576 2.851 -20.075
165 HB2 TRP 5 2HB TRP 5 13.511 0.603 -20.581
166 HB3 TRP 5 3HB TRP 5 12.204 0.686 -19.403
167 HD1 TRP 5 HD1 TRP 5 12.766 -1.495 -21.922
168 HE1 TRP 5 HE1 TRP 5 10.724 -2.065 -23.382
169 HE3 TRP 5 HE3 TRP 5 9.805 2.511 -20.774
170 HZ2 TRP 5 HZ2 TRP 5 8.193 -0.962 -23.969
171 HZ3 TRP 5 HZ3 TRP 5 7.588 2.679 -21.829
172 HH2 TRP 5 HH2 TRP 5 6.801 0.978 -23.393
173 H LYS 6 H LYS 6 12.609 4.674 -19.310
174 HA LYS 6 HA LYS 6 15.482 4.374 -18.726
175 HB2 LYS 6 2HB LYS 6 13.862 6.709 -19.605
176 HB3 LYS 6 3HB LYS 6 15.169 7.014 -18.469
177 HG2 LYS 6 2HG LYS 6 15.731 7.273 -20.909
178 HG3 LYS 6 3HG LYS 6 16.800 6.226 -19.974
179 HD2 LYS 6 2HD LYS 6 15.842 4.269 -20.892
180 HD3 LYS 6 3HD LYS 6 14.475 5.163 -21.561
181 HE2 LYS 6 2HE LYS 6 15.715 4.963 -23.455
182 HE3 LYS 6 3HE LYS 6 16.436 6.441 -22.822
183 HZ1 LYS 6 3HZ LYS 6 18.348 5.334 -23.043
184 HZ2 LYS 6 1HZ LYS 6 17.594 3.823 -23.141
185 HZ3 LYS 6 2HZ LYS 6 17.900 4.518 -21.630
186 H ARG 7 H ARG 7 13.672 6.991 -17.395
187 HA ARG 7 HA ARG 7 13.963 5.798 -14.729
188 HB2 ARG 7 2HB ARG 7 13.728 8.650 -15.672
189 HB3 ARG 7 3HB ARG 7 13.555 8.207 -13.979
190 HG2 ARG 7 2HG ARG 7 15.764 8.712 -13.998
191 HG3 ARG 7 3HG ARG 7 15.869 7.007 -14.440
192 HD2 ARG 7 2HD ARG 7 16.239 7.495 -16.697
193 HD3 ARG 7 3HD ARG 7 15.642 9.145 -16.529
194 HE ARG 7 HE ARG 7 17.884 8.901 -14.902
195 HH11 ARG 7 1HH1 ARG 7 17.091 8.767 -18.289
196 HH12 ARG 7 2HH1 ARG 7 18.643 9.335 -18.809
197 HH21 ARG 7 1HH2 ARG 7 19.932 9.650 -15.574
198 HH22 ARG 7 2HH2 ARG 7 20.258 9.836 -17.263
199 H LYS 8 H LYS 8 11.762 8.366 -15.738
200 HA LYS 8 HA LYS 8 9.616 7.372 -14.202
201 HB2 LYS 8 2HB LYS 8 9.967 9.528 -16.226
202 HB3 LYS 8 3HB LYS 8 8.326 9.014 -15.859
203 HG2 LYS 8 2HG LYS 8 8.729 10.818 -14.431
204 HG3 LYS 8 3HG LYS 8 8.926 9.388 -13.415
205 HD2 LYS 8 2HD LYS 8 10.716 10.904 -12.928
206 HD3 LYS 8 3HD LYS 8 11.385 9.531 -13.813
207 HE2 LYS 8 2HE LYS 8 11.558 10.785 -15.811
208 HE3 LYS 8 3HE LYS 8 10.555 12.085 -15.168
209 HZ1 LYS 8 3HZ LYS 8 13.381 11.557 -14.772
210 HZ2 LYS 8 1HZ LYS 8 12.538 12.065 -13.396
211 HZ3 LYS 8 2HZ LYS 8 12.545 13.027 -14.787
212 H CYS 9 H CYS 9 9.647 5.129 -14.986
213 HA CYS 9 HA CYS 9 9.191 4.138 -17.452
214 HB2 CYS 9 2HB CYS 9 7.559 2.489 -16.226
215 HB3 CYS 9 3HB CYS 9 9.272 2.502 -15.819
216 HA PRO 10 HA PRO 10 5.492 6.502 -18.534
217 HB2 PRO 10 2HB PRO 10 5.715 6.032 -21.199
218 HB3 PRO 10 3HB PRO 10 6.645 7.281 -20.362
219 HG2 PRO 10 2HG PRO 10 7.480 4.524 -21.175
220 HG3 PRO 10 3HG PRO 10 8.377 6.048 -21.303
221 HD2 PRO 10 2HD PRO 10 8.826 4.254 -19.325
222 HD3 PRO 10 3HD PRO 10 9.015 6.004 -19.089
223 H LEU 11 H LEU 11 6.329 3.406 -20.104
224 HA LEU 11 HA LEU 11 3.486 2.666 -20.013
225 HB2 LEU 11 2HB LEU 11 4.097 2.392 -22.200
226 HB3 LEU 11 3HB LEU 11 5.757 1.962 -21.795
227 HG LEU 11 HG LEU 11 5.106 -0.276 -21.232
228 HD11 LEU 11 1HD1 LEU 11 2.590 -0.818 -21.803
229 HD12 LEU 11 2HD1 LEU 11 2.366 0.869 -21.345
230 HD13 LEU 11 3HD1 LEU 11 3.072 -0.269 -20.198
231 HD21 LEU 11 3HD2 LEU 11 5.448 -0.485 -23.441
232 HD22 LEU 11 1HD2 LEU 11 4.418 0.892 -23.834
233 HD23 LEU 11 2HD2 LEU 11 3.697 -0.687 -23.518
234 H PHE 12 H PHE 12 6.595 0.921 -19.848
235 HA PHE 12 HA PHE 12 5.570 -1.236 -18.360
236 HB2 PHE 12 2HB PHE 12 7.804 -2.000 -18.183
237 HB3 PHE 12 3HB PHE 12 7.724 -1.155 -19.726
238 HD1 PHE 12 HD2 PHE 12 8.121 1.563 -19.258
239 HD2 PHE 12 HD1 PHE 12 9.804 -1.711 -17.122
240 HE1 PHE 12 HE2 PHE 12 10.010 2.984 -18.576
241 HE2 PHE 12 HE1 PHE 12 11.696 -0.295 -16.435
242 HZ PHE 12 HZ PHE 12 11.801 2.056 -17.163
243 H GLY 13 H GLY 13 4.346 -0.016 -16.735
244 HA2 GLY 13 2HA GLY 13 6.071 0.691 -14.443
245 HA3 GLY 13 3HA GLY 13 4.644 1.632 -14.851
246 H LYS 14 H LYS 14 2.750 1.077 -13.965
247 HA LYS 14 HA LYS 14 2.510 -0.602 -11.819
248 HB2 LYS 14 2HB LYS 14 0.343 0.068 -13.820
249 HB3 LYS 14 3HB LYS 14 0.075 -0.544 -12.193
250 HG2 LYS 14 2HG LYS 14 1.335 2.093 -12.918
251 HG3 LYS 14 3HG LYS 14 -0.292 1.846 -12.279
252 HD2 LYS 14 2HD LYS 14 0.788 0.785 -10.262
253 HD3 LYS 14 3HD LYS 14 2.336 1.357 -10.889
254 HE2 LYS 14 2HE LYS 14 1.951 3.275 -9.829
255 HE3 LYS 14 3HE LYS 14 0.662 3.578 -10.993
256 HZ1 LYS 14 3HZ LYS 14 -0.781 2.225 -9.421
257 HZ2 LYS 14 1HZ LYS 14 -0.346 3.780 -8.918
258 HZ3 LYS 14 2HZ LYS 14 0.448 2.431 -8.278
259 H GLY 15 H GLY 15 2.600 -1.459 -15.160
260 HA2 GLY 15 2HA GLY 15 1.243 -3.780 -15.434
261 HA3 GLY 15 3HA GLY 15 2.855 -3.559 -16.099
262 H GLY 16 H GLY 16 4.086 -3.317 -13.438
263 HA2 GLY 16 2HA GLY 16 4.778 -6.009 -13.040
264 HA3 GLY 16 3HA GLY 16 5.130 -4.694 -11.929
Start of MODEL 14
1 H1 VAL 1 H VAL 1 1.248 -0.609 -0.501
2 HA VAL 1 HA VAL 1 1.078 -1.416 -2.743
3 HB VAL 1 HB VAL 1 2.415 -0.538 -4.525
4 HG11 VAL 1 1HG1 VAL 1 1.458 1.823 -2.916
5 HG12 VAL 1 2HG1 VAL 1 1.589 1.700 -4.672
6 HG13 VAL 1 3HG1 VAL 1 0.390 0.738 -3.807
7 HG21 VAL 1 3HG2 VAL 1 4.510 0.035 -3.956
8 HG22 VAL 1 1HG2 VAL 1 3.819 1.630 -3.655
9 HG23 VAL 1 2HG2 VAL 1 4.043 0.499 -2.320
10 H ALA 2 H ALA 2 3.144 -2.320 -4.219
11 HA ALA 2 HA ALA 2 4.219 -4.388 -2.685
12 HB1 ALA 2 1HB ALA 2 4.740 -5.180 -4.690
13 HB2 ALA 2 2HB ALA 2 4.194 -3.657 -5.394
14 HB3 ALA 2 3HB ALA 2 5.889 -3.868 -4.956
15 H ARG 3 H ARG 3 6.215 -1.917 -4.297
16 HA ARG 3 HA ARG 3 7.944 -1.895 -1.910
17 HB2 ARG 3 2HB ARG 3 8.809 -1.555 -4.788
18 HB3 ARG 3 3HB ARG 3 9.861 -1.547 -3.379
19 HG2 ARG 3 2HG ARG 3 8.188 -3.898 -4.235
20 HG3 ARG 3 3HG ARG 3 9.890 -3.674 -4.646
21 HD2 ARG 3 2HD ARG 3 9.539 -3.313 -1.831
22 HD3 ARG 3 3HD ARG 3 8.793 -4.834 -2.319
23 HE ARG 3 HE ARG 3 11.430 -4.457 -3.390
24 HH11 ARG 3 1HH1 ARG 3 9.592 -5.565 -0.649
25 HH12 ARG 3 2HH1 ARG 3 10.837 -6.626 -0.078
26 HH21 ARG 3 1HH2 ARG 3 13.077 -5.850 -2.649
27 HH22 ARG 3 2HH2 ARG 3 12.819 -6.786 -1.215
28 H GLY 4 H GLY 4 9.296 0.158 -4.026
29 HA2 GLY 4 2HA GLY 4 7.673 2.455 -3.121
30 HA3 GLY 4 3HA GLY 4 9.429 2.475 -3.049
31 H TRP 5 H TRP 5 6.632 2.696 -5.104
32 HA TRP 5 HA TRP 5 7.917 2.721 -7.604
33 HB2 TRP 5 2HB TRP 5 5.447 4.325 -6.966
34 HB3 TRP 5 3HB TRP 5 5.889 3.558 -8.489
35 HD1 TRP 5 HD1 TRP 5 3.189 3.092 -6.543
36 HE1 TRP 5 HE1 TRP 5 2.548 0.644 -6.068
37 HE3 TRP 5 HE3 TRP 5 7.654 0.857 -7.639
38 HZ2 TRP 5 HZ2 TRP 5 3.774 -1.897 -6.147
39 HZ3 TRP 5 HZ3 TRP 5 7.837 -1.587 -7.413
40 HH2 TRP 5 HH2 TRP 5 5.936 -2.933 -6.682
41 H LYS 6 H LYS 6 9.726 3.980 -7.706
42 HA LYS 6 HA LYS 6 9.357 6.868 -7.248
43 HB2 LYS 6 2HB LYS 6 11.910 5.250 -7.139
44 HB3 LYS 6 3HB LYS 6 11.794 6.988 -6.896
45 HG2 LYS 6 2HG LYS 6 11.023 6.779 -4.792
46 HG3 LYS 6 3HG LYS 6 10.073 5.340 -5.167
47 HD2 LYS 6 2HD LYS 6 11.653 4.062 -4.267
48 HD3 LYS 6 3HD LYS 6 12.821 4.674 -5.441
49 HE2 LYS 6 2HE LYS 6 13.573 5.012 -3.129
50 HE3 LYS 6 3HE LYS 6 13.347 6.539 -3.980
51 HZ1 LYS 6 3HZ LYS 6 11.073 5.528 -2.462
52 HZ2 LYS 6 1HZ LYS 6 11.612 7.117 -2.676
53 HZ3 LYS 6 2HZ LYS 6 12.388 6.104 -1.566
54 H ARG 7 H ARG 7 12.290 6.378 -8.647
55 HA ARG 7 HA ARG 7 11.346 7.356 -11.206
56 HB2 ARG 7 2HB ARG 7 14.104 6.949 -10.051
57 HB3 ARG 7 3HB ARG 7 13.828 7.498 -11.698
58 HG2 ARG 7 2HG ARG 7 13.744 9.573 -10.940
59 HG3 ARG 7 3HG ARG 7 12.269 9.156 -10.064
60 HD2 ARG 7 2HD ARG 7 13.833 10.093 -8.509
61 HD3 ARG 7 3HD ARG 7 13.685 8.368 -8.178
62 HE ARG 7 HE ARG 7 15.834 8.749 -9.927
63 HH11 ARG 7 1HH1 ARG 7 14.931 9.458 -6.640
64 HH12 ARG 7 2HH1 ARG 7 16.560 9.433 -6.049
65 HH21 ARG 7 1HH2 ARG 7 17.983 8.713 -9.161
66 HH22 ARG 7 2HH2 ARG 7 18.295 9.010 -7.484
67 H LYS 8 H LYS 8 14.011 5.091 -10.673
68 HA LYS 8 HA LYS 8 13.493 3.661 -13.054
69 HB2 LYS 8 2HB LYS 8 15.173 2.044 -12.166
70 HB3 LYS 8 3HB LYS 8 15.725 3.714 -12.162
71 HG2 LYS 8 2HG LYS 8 14.449 2.702 -9.689
72 HG3 LYS 8 3HG LYS 8 16.056 2.091 -10.089
73 HD2 LYS 8 2HD LYS 8 16.359 4.763 -10.531
74 HD3 LYS 8 3HD LYS 8 15.216 4.754 -9.186
75 HE2 LYS 8 2HE LYS 8 17.116 4.648 -7.964
76 HE3 LYS 8 3HE LYS 8 16.959 2.924 -8.296
77 HZ1 LYS 8 3HZ LYS 8 19.184 4.200 -8.760
78 HZ2 LYS 8 1HZ LYS 8 18.421 4.573 -10.223
79 HZ3 LYS 8 2HZ LYS 8 18.663 2.958 -9.784
80 H CYS 9 H CYS 9 11.148 3.317 -12.587
81 HA CYS 9 HA CYS 9 9.912 1.875 -10.716
82 HB2 CYS 9 2HB CYS 9 8.686 0.688 -12.720
83 HB3 CYS 9 3HB CYS 9 8.511 2.422 -12.467
84 HA PRO 10 HA PRO 10 12.569 -1.785 -10.610
85 HB2 PRO 10 2HB PRO 10 11.737 -2.575 -8.149
86 HB3 PRO 10 3HB PRO 10 12.958 -1.321 -8.393
87 HG2 PRO 10 2HG PRO 10 10.037 -1.032 -7.806
88 HG3 PRO 10 3HG PRO 10 11.409 -0.137 -7.126
89 HD2 PRO 10 2HD PRO 10 9.842 0.871 -9.091
90 HD3 PRO 10 3HD PRO 10 11.570 1.255 -8.956
91 H LEU 11 H LEU 11 9.242 -1.836 -9.309
92 HA LEU 11 HA LEU 11 8.876 -4.500 -10.474
93 HB2 LEU 11 2HB LEU 11 8.346 -3.920 -8.032
94 HB3 LEU 11 3HB LEU 11 6.936 -3.083 -8.676
95 HG LEU 11 HG LEU 11 6.481 -5.378 -7.813
96 HD11 LEU 11 1HD1 LEU 11 5.833 -5.704 -10.632
97 HD12 LEU 11 2HD1 LEU 11 5.471 -4.091 -10.019
98 HD13 LEU 11 3HD1 LEU 11 4.771 -5.509 -9.237
99 HD21 LEU 11 3HD2 LEU 11 7.819 -6.424 -10.278
100 HD22 LEU 11 1HD2 LEU 11 7.316 -7.290 -8.826
101 HD23 LEU 11 2HD2 LEU 11 8.724 -6.227 -8.776
102 H PHE 12 H PHE 12 6.814 -1.621 -10.024
103 HA PHE 12 HA PHE 12 5.092 -2.270 -12.168
104 HB2 PHE 12 2HB PHE 12 4.035 -0.189 -11.765
105 HB3 PHE 12 3HB PHE 12 4.605 -0.735 -10.192
106 HD1 PHE 12 HD2 PHE 12 7.228 0.044 -9.840
107 HD2 PHE 12 HD1 PHE 12 4.233 2.061 -12.093
108 HE1 PHE 12 HE2 PHE 12 8.438 2.165 -9.542
109 HE2 PHE 12 HE1 PHE 12 5.438 4.186 -11.800
110 HZ PHE 12 HZ PHE 12 7.543 4.240 -10.522
111 H GLY 13 H GLY 13 6.792 -2.738 -13.781
112 HA2 GLY 13 2HA GLY 13 7.579 -0.263 -15.191
113 HA3 GLY 13 3HA GLY 13 8.648 -1.653 -15.080
114 H LYS 14 H LYS 14 8.605 -3.080 -16.691
115 HA LYS 14 HA LYS 14 7.290 -2.702 -19.065
116 HB2 LYS 14 2HB LYS 14 8.261 -5.275 -17.816
117 HB3 LYS 14 3HB LYS 14 7.706 -5.158 -19.481
118 HG2 LYS 14 2HG LYS 14 9.644 -4.315 -20.169
119 HG3 LYS 14 3HG LYS 14 9.700 -3.149 -18.846
120 HD2 LYS 14 2HD LYS 14 10.530 -4.913 -17.348
121 HD3 LYS 14 3HD LYS 14 10.503 -6.055 -18.693
122 HE2 LYS 14 2HE LYS 14 12.472 -5.333 -19.440
123 HE3 LYS 14 3HE LYS 14 11.941 -3.653 -19.394
124 HZ1 LYS 14 3HZ LYS 14 12.753 -5.069 -16.933
125 HZ2 LYS 14 1HZ LYS 14 12.670 -3.403 -17.215
126 HZ3 LYS 14 2HZ LYS 14 13.897 -4.322 -17.930
127 H GLY 15 H GLY 15 6.020 -3.994 -16.135
128 HA2 GLY 15 2HA GLY 15 4.012 -5.678 -16.789
129 HA3 GLY 15 3HA GLY 15 3.810 -4.412 -15.588
130 H GLY 16 H GLY 16 4.122 -2.259 -17.560
131 HA2 GLY 16 2HA GLY 16 1.403 -1.930 -18.244
132 HA3 GLY 16 3HA GLY 16 2.731 -0.928 -18.809
133 H1 VAL 1 H VAL 1 9.744 -2.217 -28.827
134 HA VAL 1 HA VAL 1 8.351 -1.591 -26.449
135 HB VAL 1 HB VAL 1 10.612 -0.147 -27.834
136 HG11 VAL 1 1HG1 VAL 1 10.802 0.616 -25.253
137 HG12 VAL 1 2HG1 VAL 1 9.992 1.565 -26.502
138 HG13 VAL 1 3HG1 VAL 1 9.050 0.529 -25.430
139 HG21 VAL 1 3HG2 VAL 1 10.884 -2.530 -26.900
140 HG22 VAL 1 1HG2 VAL 1 12.065 -1.308 -26.428
141 HG23 VAL 1 2HG2 VAL 1 10.776 -1.766 -25.314
142 H ALA 2 H ALA 2 7.132 0.177 -25.866
143 HA ALA 2 HA ALA 2 5.571 1.392 -27.907
144 HB1 ALA 2 1HB ALA 2 5.505 2.667 -25.268
145 HB2 ALA 2 2HB ALA 2 4.197 1.989 -26.237
146 HB3 ALA 2 3HB ALA 2 5.206 0.929 -25.253
147 H ARG 3 H ARG 3 7.498 3.031 -25.393
148 HA ARG 3 HA ARG 3 8.239 5.043 -27.416
149 HB2 ARG 3 2HB ARG 3 7.505 5.390 -24.514
150 HB3 ARG 3 3HB ARG 3 8.386 6.621 -25.409
151 HG2 ARG 3 2HG ARG 3 6.178 7.313 -25.550
152 HG3 ARG 3 3HG ARG 3 6.452 6.497 -27.091
153 HD2 ARG 3 2HD ARG 3 5.578 4.589 -25.149
154 HD3 ARG 3 3HD ARG 3 4.467 5.958 -25.160
155 HE ARG 3 HE ARG 3 4.702 3.960 -27.151
156 HH11 ARG 3 1HH1 ARG 3 4.148 7.372 -26.736
157 HH12 ARG 3 2HH1 ARG 3 3.232 7.534 -28.198
158 HH21 ARG 3 1HH2 ARG 3 3.497 4.160 -29.078
159 HH22 ARG 3 2HH2 ARG 3 2.862 5.706 -29.529
160 H GLY 4 H GLY 4 9.578 5.746 -24.453
161 HA2 GLY 4 2HA GLY 4 12.029 4.209 -25.029
162 HA3 GLY 4 3HA GLY 4 12.104 5.943 -24.750
163 H TRP 5 H TRP 5 11.430 2.826 -23.279
164 HA TRP 5 HA TRP 5 10.841 3.647 -20.686
165 HB2 TRP 5 2HB TRP 5 12.460 1.184 -21.324
166 HB3 TRP 5 3HB TRP 5 11.324 1.426 -20.000
167 HD1 TRP 5 HD1 TRP 5 11.313 -0.811 -22.532
168 HE1 TRP 5 HE1 TRP 5 9.056 -1.132 -23.728
169 HE3 TRP 5 HE3 TRP 5 9.013 3.525 -21.103
170 HZ2 TRP 5 HZ2 TRP 5 6.623 0.268 -24.026
171 HZ3 TRP 5 HZ3 TRP 5 6.721 3.959 -21.887
172 HH2 TRP 5 HH2 TRP 5 5.553 2.363 -23.319
173 H LYS 6 H LYS 6 12.057 5.231 -19.791
174 HA LYS 6 HA LYS 6 14.962 4.787 -19.609
175 HB2 LYS 6 2HB LYS 6 14.848 7.307 -18.886
176 HB3 LYS 6 3HB LYS 6 14.779 6.867 -20.588
177 HG2 LYS 6 2HG LYS 6 12.626 7.518 -20.813
178 HG3 LYS 6 3HG LYS 6 12.197 7.055 -19.164
179 HD2 LYS 6 2HD LYS 6 12.178 9.269 -18.781
180 HD3 LYS 6 3HD LYS 6 13.934 9.101 -18.715
181 HE2 LYS 6 2HE LYS 6 12.647 9.508 -21.367
182 HE3 LYS 6 3HE LYS 6 12.766 10.887 -20.275
183 HZ1 LYS 6 3HZ LYS 6 14.924 9.336 -21.541
184 HZ2 LYS 6 1HZ LYS 6 15.219 10.156 -20.091
185 HZ3 LYS 6 2HZ LYS 6 14.719 11.013 -21.460
186 H ARG 7 H ARG 7 13.602 7.150 -17.559
187 HA ARG 7 HA ARG 7 14.047 5.392 -15.245
188 HB2 ARG 7 2HB ARG 7 13.921 7.872 -14.165
189 HB3 ARG 7 3HB ARG 7 15.410 7.116 -14.717
190 HG2 ARG 7 2HG ARG 7 15.453 8.358 -16.689
191 HG3 ARG 7 3HG ARG 7 13.748 8.795 -16.556
192 HD2 ARG 7 2HD ARG 7 14.222 10.603 -15.343
193 HD3 ARG 7 3HD ARG 7 15.252 9.678 -14.251
194 HE ARG 7 HE ARG 7 16.644 10.085 -16.642
195 HH11 ARG 7 1HH1 ARG 7 15.419 11.911 -13.943
196 HH12 ARG 7 2HH1 ARG 7 16.636 13.139 -14.054
197 HH21 ARG 7 1HH2 ARG 7 18.252 11.695 -16.798
198 HH22 ARG 7 2HH2 ARG 7 18.247 13.016 -15.678
199 H LYS 8 H LYS 8 12.190 8.397 -15.509
200 HA LYS 8 HA LYS 8 10.141 7.536 -13.797
201 HB2 LYS 8 2HB LYS 8 10.430 9.797 -15.740
202 HB3 LYS 8 3HB LYS 8 8.870 9.493 -14.989
203 HG2 LYS 8 2HG LYS 8 9.938 11.128 -13.672
204 HG3 LYS 8 3HG LYS 8 10.044 9.618 -12.764
205 HD2 LYS 8 2HD LYS 8 12.294 9.508 -12.958
206 HD3 LYS 8 3HD LYS 8 12.292 10.181 -14.590
207 HE2 LYS 8 2HE LYS 8 11.738 11.829 -12.133
208 HE3 LYS 8 3HE LYS 8 13.358 11.608 -12.794
209 HZ1 LYS 8 3HZ LYS 8 11.876 12.347 -14.949
210 HZ2 LYS 8 1HZ LYS 8 12.886 13.365 -14.052
211 HZ3 LYS 8 2HZ LYS 8 11.232 13.298 -13.708
212 H CYS 9 H CYS 9 9.643 5.424 -14.674
213 HA CYS 9 HA CYS 9 8.802 4.604 -17.063
214 HB2 CYS 9 2HB CYS 9 7.409 4.107 -14.428
215 HB3 CYS 9 3HB CYS 9 7.040 3.219 -15.903
216 HA PRO 10 HA PRO 10 5.716 7.821 -17.927
217 HB2 PRO 10 2HB PRO 10 5.838 7.501 -20.620
218 HB3 PRO 10 3HB PRO 10 7.006 8.470 -19.714
219 HG2 PRO 10 2HG PRO 10 7.252 5.662 -20.724
220 HG3 PRO 10 3HG PRO 10 8.446 6.973 -20.761
221 HD2 PRO 10 2HD PRO 10 8.513 4.992 -18.916
222 HD3 PRO 10 3HD PRO 10 9.060 6.644 -18.564
223 H LEU 11 H LEU 11 5.880 4.782 -19.799
224 HA LEU 11 HA LEU 11 2.953 4.580 -19.568
225 HB2 LEU 11 2HB LEU 11 4.835 3.359 -21.581
226 HB3 LEU 11 3HB LEU 11 3.100 3.056 -21.514
227 HG LEU 11 HG LEU 11 3.001 5.694 -21.753
228 HD11 LEU 11 1HD1 LEU 11 4.746 6.576 -23.136
229 HD12 LEU 11 2HD1 LEU 11 5.551 5.009 -23.204
230 HD13 LEU 11 3HD1 LEU 11 5.477 5.896 -21.682
231 HD21 LEU 11 3HD2 LEU 11 3.574 3.880 -24.093
232 HD22 LEU 11 1HD2 LEU 11 2.667 5.393 -24.118
233 HD23 LEU 11 2HD2 LEU 11 2.021 3.993 -23.262
234 H PHE 12 H PHE 12 5.775 2.412 -19.856
235 HA PHE 12 HA PHE 12 4.447 0.217 -18.639
236 HB2 PHE 12 2HB PHE 12 6.480 -0.951 -18.854
237 HB3 PHE 12 3HB PHE 12 6.474 0.168 -20.213
238 HD1 PHE 12 HD1 PHE 12 7.360 2.661 -19.136
239 HD2 PHE 12 HD2 PHE 12 8.640 -1.278 -18.157
240 HE1 PHE 12 HE1 PHE 12 9.536 3.552 -18.413
241 HE2 PHE 12 HE2 PHE 12 10.818 -0.393 -17.431
242 HZ PHE 12 HZ PHE 12 11.268 2.025 -17.557
243 H GLY 13 H GLY 13 3.626 1.423 -16.745
244 HA2 GLY 13 2HA GLY 13 5.641 1.434 -14.583
245 HA3 GLY 13 3HA GLY 13 4.385 2.657 -14.695
246 H LYS 14 H LYS 14 2.525 2.314 -13.653
247 HA LYS 14 HA LYS 14 2.138 0.436 -11.734
248 HB2 LYS 14 2HB LYS 14 -0.042 1.619 -13.464
249 HB3 LYS 14 3HB LYS 14 -0.266 0.904 -11.873
250 HG2 LYS 14 2HG LYS 14 0.297 2.790 -10.845
251 HG3 LYS 14 3HG LYS 14 1.737 2.995 -11.845
252 HD2 LYS 14 2HD LYS 14 -0.814 3.507 -13.214
253 HD3 LYS 14 3HD LYS 14 -0.428 4.632 -11.910
254 HE2 LYS 14 2HE LYS 14 1.933 4.639 -13.090
255 HE3 LYS 14 3HE LYS 14 0.980 4.142 -14.487
256 HZ1 LYS 14 3HZ LYS 14 -0.328 6.279 -13.236
257 HZ2 LYS 14 1HZ LYS 14 0.373 6.235 -14.775
258 HZ3 LYS 14 2HZ LYS 14 1.295 6.713 -13.440
259 H GLY 15 H GLY 15 1.688 0.029 -15.164
260 HA2 GLY 15 2HA GLY 15 0.052 -1.993 -15.632
261 HA3 GLY 15 3HA GLY 15 1.682 -2.024 -16.290
262 H GLY 16 H GLY 16 3.202 -2.503 -14.054
263 HA2 GLY 16 2HA GLY 16 4.036 -4.325 -12.920
264 HA3 GLY 16 3HA GLY 16 2.420 -4.394 -12.230
Start of MODEL 15
1 H1 VAL 1 H VAL 1 -0.855 -1.134 -2.753
2 HA VAL 1 HA VAL 1 1.026 -1.023 -4.041
3 HB VAL 1 HB VAL 1 0.944 1.306 -3.414
4 HG11 VAL 1 1HG1 VAL 1 0.867 1.026 -0.989
5 HG12 VAL 1 2HG1 VAL 1 2.560 0.528 -0.988
6 HG13 VAL 1 3HG1 VAL 1 2.123 2.171 -1.458
7 HG21 VAL 1 3HG2 VAL 1 3.824 0.793 -2.976
8 HG22 VAL 1 1HG2 VAL 1 3.102 0.081 -4.420
9 HG23 VAL 1 2HG2 VAL 1 3.021 1.824 -4.162
10 H ALA 2 H ALA 2 3.087 -1.870 -4.317
11 HA ALA 2 HA ALA 2 3.908 -3.785 -2.369
12 HB1 ALA 2 1HB ALA 2 4.309 -3.394 -5.107
13 HB2 ALA 2 2HB ALA 2 5.912 -3.305 -4.376
14 HB3 ALA 2 3HB ALA 2 4.903 -4.727 -4.117
15 H ARG 3 H ARG 3 5.931 -1.289 -3.908
16 HA ARG 3 HA ARG 3 7.171 -0.811 -1.277
17 HB2 ARG 3 2HB ARG 3 8.514 -0.702 -3.984
18 HB3 ARG 3 3HB ARG 3 9.284 -0.380 -2.436
19 HG2 ARG 3 2HG ARG 3 8.150 -3.010 -3.365
20 HG3 ARG 3 3HG ARG 3 9.856 -2.592 -3.195
21 HD2 ARG 3 2HD ARG 3 7.803 -2.881 -1.012
22 HD3 ARG 3 3HD ARG 3 9.228 -3.882 -1.288
23 HE ARG 3 HE ARG 3 10.189 -1.339 -0.913
24 HH11 ARG 3 1HH1 ARG 3 8.249 -3.580 0.914
25 HH12 ARG 3 2HH1 ARG 3 8.787 -2.993 2.452
26 HH21 ARG 3 1HH2 ARG 3 10.905 -0.558 1.107
27 HH22 ARG 3 2HH2 ARG 3 10.297 -1.274 2.561
28 H GLY 4 H GLY 4 8.681 1.145 -3.391
29 HA2 GLY 4 2HA GLY 4 6.714 3.324 -3.053
30 HA3 GLY 4 3HA GLY 4 8.422 3.554 -2.709
31 H TRP 5 H TRP 5 6.005 3.243 -5.186
32 HA TRP 5 HA TRP 5 7.692 3.140 -7.436
33 HB2 TRP 5 2HB TRP 5 5.001 4.496 -7.408
34 HB3 TRP 5 3HB TRP 5 5.773 3.625 -8.730
35 HD1 TRP 5 HD1 TRP 5 2.844 3.069 -7.146
36 HE1 TRP 5 HE1 TRP 5 2.375 0.626 -6.486
37 HE3 TRP 5 HE3 TRP 5 7.617 1.247 -7.336
38 HZ2 TRP 5 HZ2 TRP 5 3.836 -1.758 -6.097
39 HZ3 TRP 5 HZ3 TRP 5 7.995 -1.125 -6.805
40 HH2 TRP 5 HH2 TRP 5 6.143 -2.595 -6.198
41 H LYS 6 H LYS 6 9.368 4.594 -7.327
42 HA LYS 6 HA LYS 6 8.661 7.448 -7.233
43 HB2 LYS 6 2HB LYS 6 11.214 7.679 -6.902
44 HB3 LYS 6 3HB LYS 6 10.244 7.093 -5.558
45 HG2 LYS 6 2HG LYS 6 11.192 5.053 -5.588
46 HG3 LYS 6 3HG LYS 6 11.314 5.017 -7.348
47 HD2 LYS 6 2HD LYS 6 13.534 5.142 -6.724
48 HD3 LYS 6 3HD LYS 6 13.139 6.843 -6.982
49 HE2 LYS 6 2HE LYS 6 12.628 6.958 -4.506
50 HE3 LYS 6 3HE LYS 6 13.364 5.361 -4.371
51 HZ1 LYS 6 3HZ LYS 6 14.803 7.624 -5.613
52 HZ2 LYS 6 1HZ LYS 6 15.439 6.188 -4.984
53 HZ3 LYS 6 2HZ LYS 6 14.832 7.372 -3.940
54 H ARG 7 H ARG 7 11.760 6.947 -8.379
55 HA ARG 7 HA ARG 7 10.937 7.702 -11.075
56 HB2 ARG 7 2HB ARG 7 13.735 7.571 -9.944
57 HB3 ARG 7 3HB ARG 7 13.222 8.378 -11.420
58 HG2 ARG 7 2HG ARG 7 12.535 9.158 -8.597
59 HG3 ARG 7 3HG ARG 7 13.590 10.020 -9.718
60 HD2 ARG 7 2HD ARG 7 11.663 10.377 -11.212
61 HD3 ARG 7 3HD ARG 7 10.625 9.570 -10.039
62 HE ARG 7 HE ARG 7 12.098 11.825 -9.001
63 HH11 ARG 7 1HH1 ARG 7 9.163 10.731 -10.521
64 HH12 ARG 7 2HH1 ARG 7 8.226 12.086 -9.985
65 HH21 ARG 7 1HH2 ARG 7 10.874 13.614 -8.289
66 HH22 ARG 7 2HH2 ARG 7 9.200 13.726 -8.716
67 H LYS 8 H LYS 8 13.730 5.776 -10.041
68 HA LYS 8 HA LYS 8 13.658 4.129 -12.338
69 HB2 LYS 8 2HB LYS 8 15.149 4.054 -9.740
70 HB3 LYS 8 3HB LYS 8 15.231 2.677 -10.831
71 HG2 LYS 8 2HG LYS 8 17.102 3.989 -11.341
72 HG3 LYS 8 3HG LYS 8 15.938 4.326 -12.625
73 HD2 LYS 8 2HD LYS 8 15.806 6.486 -12.067
74 HD3 LYS 8 3HD LYS 8 15.638 6.113 -10.350
75 HE2 LYS 8 2HE LYS 8 17.642 7.413 -10.707
76 HE3 LYS 8 3HE LYS 8 18.078 5.777 -10.216
77 HZ1 LYS 8 3HZ LYS 8 19.210 6.978 -12.259
78 HZ2 LYS 8 1HZ LYS 8 17.891 6.308 -13.080
79 HZ3 LYS 8 2HZ LYS 8 18.958 5.306 -12.234
80 H CYS 9 H CYS 9 11.493 3.345 -12.395
81 HA CYS 9 HA CYS 9 9.994 2.060 -10.579
82 HB2 CYS 9 2HB CYS 9 10.487 1.041 -13.385
83 HB3 CYS 9 3HB CYS 9 9.096 0.649 -12.379
84 HA PRO 10 HA PRO 10 12.963 -1.076 -9.221
85 HB2 PRO 10 2HB PRO 10 11.676 -1.584 -6.886
86 HB3 PRO 10 3HB PRO 10 12.768 -0.211 -7.102
87 HG2 PRO 10 2HG PRO 10 9.777 -0.287 -7.205
88 HG3 PRO 10 3HG PRO 10 10.840 0.906 -6.435
89 HD2 PRO 10 2HD PRO 10 9.671 1.335 -8.839
90 HD3 PRO 10 3HD PRO 10 11.264 1.997 -8.421
91 H LEU 11 H LEU 11 9.478 -1.479 -8.537
92 HA LEU 11 HA LEU 11 9.703 -4.270 -9.428
93 HB2 LEU 11 2HB LEU 11 7.716 -2.869 -7.657
94 HB3 LEU 11 3HB LEU 11 7.462 -4.500 -8.276
95 HG LEU 11 HG LEU 11 9.614 -5.144 -7.122
96 HD11 LEU 11 1HD1 LEU 11 10.875 -3.470 -6.375
97 HD12 LEU 11 2HD1 LEU 11 9.701 -3.292 -5.072
98 HD13 LEU 11 3HD1 LEU 11 9.558 -2.307 -6.527
99 HD21 LEU 11 3HD2 LEU 11 7.780 -5.953 -6.017
100 HD22 LEU 11 1HD2 LEU 11 7.084 -4.351 -5.767
101 HD23 LEU 11 2HD2 LEU 11 8.444 -4.886 -4.779
102 H PHE 12 H PHE 12 7.281 -1.647 -9.493
103 HA PHE 12 HA PHE 12 5.854 -2.755 -11.680
104 HB2 PHE 12 2HB PHE 12 4.483 -0.850 -11.571
105 HB3 PHE 12 3HB PHE 12 5.026 -1.079 -9.912
106 HD1 PHE 12 HD1 PHE 12 7.522 0.123 -9.631
107 HD2 PHE 12 HD2 PHE 12 4.317 1.354 -12.148
108 HE1 PHE 12 HE1 PHE 12 8.382 2.428 -9.593
109 HE2 PHE 12 HE2 PHE 12 5.173 3.661 -12.114
110 HZ PHE 12 HZ PHE 12 7.208 4.200 -10.837
111 H GLY 13 H GLY 13 7.794 -3.139 -13.047
112 HA2 GLY 13 2HA GLY 13 8.368 -0.741 -14.676
113 HA3 GLY 13 3HA GLY 13 9.609 -1.925 -14.291
114 H LYS 14 H LYS 14 9.940 -3.535 -15.686
115 HA LYS 14 HA LYS 14 8.939 -3.638 -18.215
116 HB2 LYS 14 2HB LYS 14 10.044 -5.802 -16.448
117 HB3 LYS 14 3HB LYS 14 9.523 -6.161 -18.088
118 HG2 LYS 14 2HG LYS 14 11.405 -5.357 -18.937
119 HG3 LYS 14 3HG LYS 14 11.229 -3.842 -18.048
120 HD2 LYS 14 2HD LYS 14 12.071 -5.177 -16.017
121 HD3 LYS 14 3HD LYS 14 12.595 -6.378 -17.200
122 HE2 LYS 14 2HE LYS 14 13.370 -3.470 -17.327
123 HE3 LYS 14 3HE LYS 14 14.337 -4.696 -16.509
124 HZ1 LYS 14 3HZ LYS 14 13.685 -4.537 -19.395
125 HZ2 LYS 14 1HZ LYS 14 14.357 -5.915 -18.679
126 HZ3 LYS 14 2HZ LYS 14 15.213 -4.457 -18.672
127 H GLY 15 H GLY 15 7.410 -4.764 -15.316
128 HA2 GLY 15 2HA GLY 15 5.660 -6.662 -15.835
129 HA3 GLY 15 3HA GLY 15 5.108 -5.168 -15.093
130 H GLY 16 H GLY 16 5.163 -3.373 -17.119
131 HA2 GLY 16 2HA GLY 16 4.005 -2.647 -18.965
132 HA3 GLY 16 3HA GLY 16 4.129 -4.288 -19.583
133 H1 VAL 1 H VAL 1 11.653 -2.617 -29.060
134 HA VAL 1 HA VAL 1 10.284 -2.592 -26.471
135 HB VAL 1 HB VAL 1 12.358 -0.695 -27.580
136 HG11 VAL 1 1HG1 VAL 1 10.655 -0.630 -25.188
137 HG12 VAL 1 2HG1 VAL 1 12.370 -0.334 -24.893
138 HG13 VAL 1 3HG1 VAL 1 11.482 0.680 -26.031
139 HG21 VAL 1 3HG2 VAL 1 12.704 -2.701 -25.366
140 HG22 VAL 1 1HG2 VAL 1 13.076 -3.067 -27.050
141 HG23 VAL 1 2HG2 VAL 1 13.948 -1.783 -26.213
142 H ALA 2 H ALA 2 8.865 -0.962 -25.862
143 HA ALA 2 HA ALA 2 7.292 0.154 -27.973
144 HB1 ALA 2 1HB ALA 2 6.885 -0.466 -25.287
145 HB2 ALA 2 2HB ALA 2 6.711 1.287 -25.386
146 HB3 ALA 2 3HB ALA 2 5.720 0.243 -26.405
147 H ARG 3 H ARG 3 8.779 1.814 -25.187
148 HA ARG 3 HA ARG 3 9.384 4.069 -26.985
149 HB2 ARG 3 2HB ARG 3 8.650 4.191 -24.054
150 HB3 ARG 3 3HB ARG 3 9.048 5.569 -25.072
151 HG2 ARG 3 2HG ARG 3 6.695 3.731 -25.463
152 HG3 ARG 3 3HG ARG 3 6.639 5.336 -24.733
153 HD2 ARG 3 2HD ARG 3 7.396 6.334 -26.812
154 HD3 ARG 3 3HD ARG 3 7.550 4.738 -27.545
155 HE ARG 3 HE ARG 3 4.960 4.802 -26.807
156 HH11 ARG 3 1HH1 ARG 3 6.962 7.014 -28.600
157 HH12 ARG 3 2HH1 ARG 3 5.656 7.617 -29.566
158 HH21 ARG 3 1HH2 ARG 3 3.233 5.587 -28.073
159 HH22 ARG 3 2HH2 ARG 3 3.535 6.805 -29.265
160 H GLY 4 H GLY 4 10.463 4.856 -24.001
161 HA2 GLY 4 2HA GLY 4 13.097 3.588 -24.413
162 HA3 GLY 4 3HA GLY 4 12.958 5.315 -24.116
163 H TRP 5 H TRP 5 12.457 2.124 -22.712
164 HA TRP 5 HA TRP 5 11.639 2.822 -20.164
165 HB2 TRP 5 2HB TRP 5 13.607 0.597 -20.660
166 HB3 TRP 5 3HB TRP 5 12.310 0.668 -19.470
167 HD1 TRP 5 HD1 TRP 5 12.853 -1.532 -21.959
168 HE1 TRP 5 HE1 TRP 5 10.811 -2.112 -23.414
169 HE3 TRP 5 HE3 TRP 5 9.907 2.501 -20.869
170 HZ2 TRP 5 HZ2 TRP 5 8.285 -1.006 -24.020
171 HZ3 TRP 5 HZ3 TRP 5 7.692 2.665 -21.929
172 HH2 TRP 5 HH2 TRP 5 6.900 0.947 -23.472
173 H LYS 6 H LYS 6 12.589 4.563 -19.218
174 HA LYS 6 HA LYS 6 15.473 4.347 -18.647
175 HB2 LYS 6 2HB LYS 6 15.297 6.909 -18.386
176 HB3 LYS 6 3HB LYS 6 15.326 6.236 -20.010
177 HG2 LYS 6 2HG LYS 6 13.250 6.939 -20.476
178 HG3 LYS 6 3HG LYS 6 12.645 6.549 -18.864
179 HD2 LYS 6 2HD LYS 6 12.520 8.819 -18.743
180 HD3 LYS 6 3HD LYS 6 14.192 8.615 -18.216
181 HE2 LYS 6 2HE LYS 6 15.030 9.182 -20.356
182 HE3 LYS 6 3HE LYS 6 13.435 9.048 -21.095
183 HZ1 LYS 6 3HZ LYS 6 12.739 10.963 -19.731
184 HZ2 LYS 6 1HZ LYS 6 13.984 11.346 -20.811
185 HZ3 LYS 6 2HZ LYS 6 14.327 11.125 -19.170
186 H ARG 7 H ARG 7 14.146 6.992 -17.142
187 HA ARG 7 HA ARG 7 14.241 5.671 -14.562
188 HB2 ARG 7 2HB ARG 7 13.993 8.550 -15.418
189 HB3 ARG 7 3HB ARG 7 13.826 8.058 -13.738
190 HG2 ARG 7 2HG ARG 7 16.022 8.247 -13.543
191 HG3 ARG 7 3HG ARG 7 16.181 6.854 -14.615
192 HD2 ARG 7 2HD ARG 7 16.556 8.171 -16.482
193 HD3 ARG 7 3HD ARG 7 15.786 9.585 -15.763
194 HE ARG 7 HE ARG 7 18.059 8.966 -14.260
195 HH11 ARG 7 1HH1 ARG 7 17.220 10.095 -17.444
196 HH12 ARG 7 2HH1 ARG 7 18.687 10.991 -17.655
197 HH21 ARG 7 1HH2 ARG 7 19.995 10.142 -14.526
198 HH22 ARG 7 2HH2 ARG 7 20.266 11.017 -15.995
199 H LYS 8 H LYS 8 12.022 8.267 -15.448
200 HA LYS 8 HA LYS 8 9.895 7.198 -13.932
201 HB2 LYS 8 2HB LYS 8 9.741 9.240 -16.155
202 HB3 LYS 8 3HB LYS 8 8.545 8.978 -14.893
203 HG2 LYS 8 2HG LYS 8 11.264 9.563 -13.942
204 HG3 LYS 8 3HG LYS 8 10.460 10.875 -14.807
205 HD2 LYS 8 2HD LYS 8 9.214 9.362 -12.516
206 HD3 LYS 8 3HD LYS 8 10.103 10.875 -12.326
207 HE2 LYS 8 2HE LYS 8 7.912 10.784 -14.330
208 HE3 LYS 8 3HE LYS 8 7.468 10.814 -12.624
209 HZ1 LYS 8 3HZ LYS 8 9.412 12.741 -12.920
210 HZ2 LYS 8 1HZ LYS 8 7.753 12.997 -12.709
211 HZ3 LYS 8 2HZ LYS 8 8.407 12.930 -14.267
212 H CYS 9 H CYS 9 9.931 4.994 -14.829
213 HA CYS 9 HA CYS 9 9.453 4.111 -17.324
214 HB2 CYS 9 2HB CYS 9 7.796 2.433 -16.155
215 HB3 CYS 9 3HB CYS 9 9.516 2.399 -15.777
216 HA PRO 10 HA PRO 10 5.769 6.548 -18.299
217 HB2 PRO 10 2HB PRO 10 5.999 6.208 -20.983
218 HB3 PRO 10 3HB PRO 10 6.931 7.411 -20.084
219 HG2 PRO 10 2HG PRO 10 7.758 4.693 -21.028
220 HG3 PRO 10 3HG PRO 10 8.661 6.218 -21.079
221 HD2 PRO 10 2HD PRO 10 9.098 4.328 -19.190
222 HD3 PRO 10 3HD PRO 10 9.293 6.063 -18.868
223 H LEU 11 H LEU 11 6.575 3.574 -20.109
224 HA LEU 11 HA LEU 11 3.738 2.840 -20.074
225 HB2 LEU 11 2HB LEU 11 5.214 2.873 -22.188
226 HB3 LEU 11 3HB LEU 11 5.892 1.374 -21.555
227 HG LEU 11 HG LEU 11 2.936 1.671 -21.966
228 HD11 LEU 11 1HD1 LEU 11 3.386 2.047 -24.140
229 HD12 LEU 11 2HD1 LEU 11 3.700 0.312 -24.161
230 HD13 LEU 11 3HD1 LEU 11 5.040 1.449 -24.015
231 HD21 LEU 11 3HD2 LEU 11 2.959 -0.407 -21.193
232 HD22 LEU 11 1HD2 LEU 11 4.719 -0.379 -21.082
233 HD23 LEU 11 2HD2 LEU 11 3.938 -0.892 -22.578
234 H PHE 12 H PHE 12 6.808 1.035 -19.852
235 HA PHE 12 HA PHE 12 5.680 -1.127 -18.434
236 HB2 PHE 12 2HB PHE 12 7.883 -1.974 -18.245
237 HB3 PHE 12 3HB PHE 12 7.849 -1.101 -19.774
238 HD1 PHE 12 HD1 PHE 12 8.323 1.599 -19.238
239 HD2 PHE 12 HD2 PHE 12 9.896 -1.780 -17.182
240 HE1 PHE 12 HE1 PHE 12 10.255 2.941 -18.516
241 HE2 PHE 12 HE2 PHE 12 11.829 -0.443 -16.456
242 HZ PHE 12 HZ PHE 12 12.010 1.921 -17.122
243 H GLY 13 H GLY 13 4.482 0.126 -16.805
244 HA2 GLY 13 2HA GLY 13 6.206 0.722 -14.480
245 HA3 GLY 13 3HA GLY 13 4.813 1.715 -14.883
246 H LYS 14 H LYS 14 2.900 1.210 -14.014
247 HA LYS 14 HA LYS 14 2.577 -0.491 -11.904
248 HB2 LYS 14 2HB LYS 14 0.476 0.285 -13.935
249 HB3 LYS 14 3HB LYS 14 0.142 -0.388 -12.345
250 HG2 LYS 14 2HG LYS 14 0.160 1.647 -11.485
251 HG3 LYS 14 3HG LYS 14 1.842 1.845 -11.984
252 HD2 LYS 14 2HD LYS 14 0.910 2.457 -14.280
253 HD3 LYS 14 3HD LYS 14 -0.656 2.599 -13.479
254 HE2 LYS 14 2HE LYS 14 1.740 4.034 -12.402
255 HE3 LYS 14 3HE LYS 14 0.830 4.706 -13.754
256 HZ1 LYS 14 3HZ LYS 14 -1.142 4.136 -12.064
257 HZ2 LYS 14 1HZ LYS 14 -0.357 5.634 -12.105
258 HZ3 LYS 14 2HZ LYS 14 0.092 4.476 -10.957
259 H GLY 15 H GLY 15 2.646 -1.306 -15.266
260 HA2 GLY 15 2HA GLY 15 1.268 -3.563 -15.642
261 HA3 GLY 15 3HA GLY 15 2.936 -3.427 -16.179
262 H GLY 16 H GLY 16 4.168 -3.365 -13.624
263 HA2 GLY 16 2HA GLY 16 5.120 -4.885 -12.184
264 HA3 GLY 16 3HA GLY 16 3.455 -5.306 -11.810
Start of MODEL 16
1 H1 VAL 1 H VAL 1 0.005 0.238 -0.953
2 HA VAL 1 HA VAL 1 1.569 -0.296 -2.680
3 HB VAL 1 HB VAL 1 2.879 1.629 -0.755
4 HG11 VAL 1 1HG1 VAL 1 4.637 1.361 -2.134
5 HG12 VAL 1 2HG1 VAL 1 3.657 0.638 -3.411
6 HG13 VAL 1 3HG1 VAL 1 3.702 2.391 -3.218
7 HG21 VAL 1 3HG2 VAL 1 1.379 3.139 -1.399
8 HG22 VAL 1 1HG2 VAL 1 1.708 2.806 -3.099
9 HG23 VAL 1 2HG2 VAL 1 0.506 1.852 -2.231
10 H ALA 2 H ALA 2 3.420 -1.356 -3.316
11 HA ALA 2 HA ALA 2 4.474 -3.291 -1.525
12 HB1 ALA 2 1HB ALA 2 5.093 -4.296 -3.406
13 HB2 ALA 2 2HB ALA 2 4.396 -2.937 -4.290
14 HB3 ALA 2 3HB ALA 2 6.109 -2.931 -3.870
15 H ARG 3 H ARG 3 6.447 -1.064 -3.466
16 HA ARG 3 HA ARG 3 8.159 -0.670 -1.100
17 HB2 ARG 3 2HB ARG 3 8.815 -0.879 -4.028
18 HB3 ARG 3 3HB ARG 3 9.920 -0.102 -2.902
19 HG2 ARG 3 2HG ARG 3 10.463 -2.469 -3.346
20 HG3 ARG 3 3HG ARG 3 10.154 -2.129 -1.642
21 HD2 ARG 3 2HD ARG 3 8.081 -3.193 -1.680
22 HD3 ARG 3 3HD ARG 3 7.963 -3.102 -3.436
23 HE ARG 3 HE ARG 3 9.118 -5.069 -3.576
24 HH11 ARG 3 1HH1 ARG 3 9.555 -3.722 -0.395
25 HH12 ARG 3 2HH1 ARG 3 10.379 -5.115 0.224
26 HH21 ARG 3 1HH2 ARG 3 10.201 -6.909 -2.772
27 HH22 ARG 3 2HH2 ARG 3 10.746 -6.927 -1.130
28 H GLY 4 H GLY 4 9.265 1.246 -3.529
29 HA2 GLY 4 2HA GLY 4 7.569 3.529 -2.738
30 HA3 GLY 4 3HA GLY 4 9.322 3.653 -2.714
31 H TRP 5 H TRP 5 6.473 3.567 -4.697
32 HA TRP 5 HA TRP 5 7.703 3.431 -7.226
33 HB2 TRP 5 2HB TRP 5 5.156 4.944 -6.674
34 HB3 TRP 5 3HB TRP 5 5.611 4.061 -8.128
35 HD1 TRP 5 HD1 TRP 5 2.973 3.628 -6.106
36 HE1 TRP 5 HE1 TRP 5 2.487 1.208 -5.375
37 HE3 TRP 5 HE3 TRP 5 7.557 1.564 -7.035
38 HZ2 TRP 5 HZ2 TRP 5 3.865 -1.250 -5.214
39 HZ3 TRP 5 HZ3 TRP 5 7.890 -0.828 -6.565
40 HH2 TRP 5 HH2 TRP 5 6.082 -2.204 -5.673
41 H LYS 6 H LYS 6 9.499 4.788 -7.261
42 HA LYS 6 HA LYS 6 8.910 7.675 -7.211
43 HB2 LYS 6 2HB LYS 6 11.537 6.260 -6.718
44 HB3 LYS 6 3HB LYS 6 11.313 8.005 -6.734
45 HG2 LYS 6 2HG LYS 6 10.335 8.040 -4.692
46 HG3 LYS 6 3HG LYS 6 9.591 6.452 -4.897
47 HD2 LYS 6 2HD LYS 6 11.376 5.363 -4.040
48 HD3 LYS 6 3HD LYS 6 12.536 6.474 -4.771
49 HE2 LYS 6 2HE LYS 6 11.043 7.886 -2.800
50 HE3 LYS 6 3HE LYS 6 11.623 6.382 -2.088
51 HZ1 LYS 6 3HZ LYS 6 13.522 7.479 -1.788
52 HZ2 LYS 6 1HZ LYS 6 13.089 8.729 -2.843
53 HZ3 LYS 6 2HZ LYS 6 13.777 7.309 -3.452
54 H ARG 7 H ARG 7 11.967 7.187 -8.345
55 HA ARG 7 HA ARG 7 11.182 7.849 -11.047
56 HB2 ARG 7 2HB ARG 7 13.836 7.640 -9.639
57 HB3 ARG 7 3HB ARG 7 13.723 7.900 -11.375
58 HG2 ARG 7 2HG ARG 7 12.503 9.696 -9.290
59 HG3 ARG 7 3HG ARG 7 14.049 9.979 -10.092
60 HD2 ARG 7 2HD ARG 7 12.430 9.587 -12.227
61 HD3 ARG 7 3HD ARG 7 11.301 10.321 -11.089
62 HE ARG 7 HE ARG 7 12.383 12.313 -11.368
63 HH11 ARG 7 1HH1 ARG 7 14.440 9.744 -12.504
64 HH12 ARG 7 2HH1 ARG 7 15.635 10.814 -13.158
65 HH21 ARG 7 1HH2 ARG 7 13.950 13.732 -12.225
66 HH22 ARG 7 2HH2 ARG 7 15.356 13.082 -12.998
67 H LYS 8 H LYS 8 13.878 5.735 -10.226
68 HA LYS 8 HA LYS 8 13.481 4.045 -12.436
69 HB2 LYS 8 2HB LYS 8 15.098 2.523 -11.223
70 HB3 LYS 8 3HB LYS 8 15.664 4.163 -11.510
71 HG2 LYS 8 2HG LYS 8 16.136 4.315 -9.356
72 HG3 LYS 8 3HG LYS 8 14.407 4.226 -9.012
73 HD2 LYS 8 2HD LYS 8 15.033 2.419 -7.804
74 HD3 LYS 8 3HD LYS 8 14.939 1.615 -9.372
75 HE2 LYS 8 2HE LYS 8 17.030 0.953 -8.798
76 HE3 LYS 8 3HE LYS 8 17.451 2.509 -9.511
77 HZ1 LYS 8 3HZ LYS 8 18.492 2.110 -7.327
78 HZ2 LYS 8 1HZ LYS 8 16.957 2.076 -6.616
79 HZ3 LYS 8 2HZ LYS 8 17.519 3.494 -7.346
80 H CYS 9 H CYS 9 11.260 3.448 -12.330
81 HA CYS 9 HA CYS 9 9.829 2.293 -10.347
82 HB2 CYS 9 2HB CYS 9 9.886 1.281 -13.198
83 HB3 CYS 9 3HB CYS 9 8.569 1.079 -12.047
84 HA PRO 10 HA PRO 10 12.581 -1.168 -9.397
85 HB2 PRO 10 2HB PRO 10 11.473 -1.656 -6.968
86 HB3 PRO 10 3HB PRO 10 12.666 -0.380 -7.241
87 HG2 PRO 10 2HG PRO 10 9.684 -0.178 -7.058
88 HG3 PRO 10 3HG PRO 10 10.923 0.878 -6.353
89 HD2 PRO 10 2HD PRO 10 9.582 1.515 -8.618
90 HD3 PRO 10 3HD PRO 10 11.263 2.010 -8.332
91 H LEU 11 H LEU 11 9.190 -1.335 -8.285
92 HA LEU 11 HA LEU 11 9.054 -4.079 -9.307
93 HB2 LEU 11 2HB LEU 11 7.283 -2.569 -7.394
94 HB3 LEU 11 3HB LEU 11 6.967 -4.211 -7.952
95 HG LEU 11 HG LEU 11 9.392 -4.621 -6.963
96 HD11 LEU 11 1HD1 LEU 11 8.357 -2.387 -5.227
97 HD12 LEU 11 2HD1 LEU 11 9.674 -2.219 -6.388
98 HD13 LEU 11 3HD1 LEU 11 9.845 -3.309 -5.012
99 HD21 LEU 11 3HD2 LEU 11 6.917 -5.371 -6.280
100 HD22 LEU 11 1HD2 LEU 11 7.318 -4.395 -4.866
101 HD23 LEU 11 2HD2 LEU 11 8.340 -5.762 -5.313
102 H PHE 12 H PHE 12 6.821 -1.305 -9.064
103 HA PHE 12 HA PHE 12 5.141 -2.196 -11.152
104 HB2 PHE 12 2HB PHE 12 3.969 -0.174 -10.888
105 HB3 PHE 12 3HB PHE 12 4.628 -0.500 -9.288
106 HD1 PHE 12 HD1 PHE 12 7.256 0.452 -9.230
107 HD2 PHE 12 HD2 PHE 12 3.948 2.058 -11.375
108 HE1 PHE 12 HE1 PHE 12 8.329 2.666 -9.220
109 HE2 PHE 12 HE2 PHE 12 5.016 4.274 -11.369
110 HZ PHE 12 HZ PHE 12 7.210 4.581 -10.292
111 H GLY 13 H GLY 13 6.854 -2.721 -12.727
112 HA2 GLY 13 2HA GLY 13 7.531 -0.341 -14.340
113 HA3 GLY 13 3HA GLY 13 8.673 -1.655 -14.105
114 H LYS 14 H LYS 14 8.707 -3.238 -15.566
115 HA LYS 14 HA LYS 14 7.404 -3.141 -17.975
116 HB2 LYS 14 2HB LYS 14 8.453 -5.557 -16.495
117 HB3 LYS 14 3HB LYS 14 7.949 -5.586 -18.180
118 HG2 LYS 14 2HG LYS 14 9.938 -4.868 -18.821
119 HG3 LYS 14 3HG LYS 14 9.789 -3.439 -17.796
120 HD2 LYS 14 2HD LYS 14 10.462 -5.026 -15.874
121 HD3 LYS 14 3HD LYS 14 11.016 -6.101 -17.161
122 HE2 LYS 14 2HE LYS 14 11.869 -3.252 -17.234
123 HE3 LYS 14 3HE LYS 14 12.619 -4.315 -16.045
124 HZ1 LYS 14 3HZ LYS 14 14.003 -4.607 -17.816
125 HZ2 LYS 14 1HZ LYS 14 12.785 -4.391 -18.970
126 HZ3 LYS 14 2HZ LYS 14 12.898 -5.850 -18.123
127 H GLY 15 H GLY 15 6.160 -4.211 -14.948
128 HA2 GLY 15 2HA GLY 15 4.244 -6.041 -15.431
129 HA3 GLY 15 3HA GLY 15 3.955 -4.655 -14.389
130 H GLY 16 H GLY 16 4.156 -2.699 -16.527
131 HA2 GLY 16 2HA GLY 16 1.439 -2.702 -17.351
132 HA3 GLY 16 3HA GLY 16 2.679 -1.577 -17.885
133 H1 VAL 1 H VAL 1 8.719 -2.250 -29.045
134 HA VAL 1 HA VAL 1 8.024 -2.172 -26.184
135 HB VAL 1 HB VAL 1 10.188 -0.544 -27.525
136 HG11 VAL 1 1HG1 VAL 1 9.664 0.942 -25.928
137 HG12 VAL 1 2HG1 VAL 1 8.727 -0.233 -25.003
138 HG13 VAL 1 3HG1 VAL 1 10.483 -0.180 -24.843
139 HG21 VAL 1 3HG2 VAL 1 11.770 -1.818 -26.368
140 HG22 VAL 1 1HG2 VAL 1 10.561 -2.496 -25.278
141 HG23 VAL 1 2HG2 VAL 1 10.617 -3.013 -26.963
142 H ALA 2 H ALA 2 6.855 -0.392 -25.486
143 HA ALA 2 HA ALA 2 5.243 0.888 -27.473
144 HB1 ALA 2 1HB ALA 2 4.966 0.302 -24.777
145 HB2 ALA 2 2HB ALA 2 5.038 2.063 -24.835
146 HB3 ALA 2 3HB ALA 2 3.828 1.199 -25.783
147 H ARG 3 H ARG 3 7.149 2.364 -24.841
148 HA ARG 3 HA ARG 3 7.837 4.544 -26.702
149 HB2 ARG 3 2HB ARG 3 7.390 4.723 -23.716
150 HB3 ARG 3 3HB ARG 3 7.870 6.054 -24.761
151 HG2 ARG 3 2HG ARG 3 5.266 4.546 -24.855
152 HG3 ARG 3 3HG ARG 3 5.515 6.195 -24.277
153 HD2 ARG 3 2HD ARG 3 6.526 6.511 -26.697
154 HD3 ARG 3 3HD ARG 3 5.489 5.131 -27.056
155 HE ARG 3 HE ARG 3 4.661 7.815 -26.632
156 HH11 ARG 3 1HH1 ARG 3 3.714 4.506 -26.108
157 HH12 ARG 3 2HH1 ARG 3 2.017 4.856 -26.099
158 HH21 ARG 3 1HH2 ARG 3 2.429 8.288 -26.622
159 HH22 ARG 3 2HH2 ARG 3 1.288 7.008 -26.392
160 H GLY 4 H GLY 4 9.274 5.170 -23.827
161 HA2 GLY 4 2HA GLY 4 11.702 3.633 -24.504
162 HA3 GLY 4 3HA GLY 4 11.780 5.355 -24.165
163 H TRP 5 H TRP 5 11.032 2.203 -22.772
164 HA TRP 5 HA TRP 5 10.545 2.908 -20.149
165 HB2 TRP 5 2HB TRP 5 12.203 0.505 -20.904
166 HB3 TRP 5 3HB TRP 5 11.086 0.675 -19.553
167 HD1 TRP 5 HD1 TRP 5 11.024 -1.539 -22.044
168 HE1 TRP 5 HE1 TRP 5 8.774 -1.839 -23.259
169 HE3 TRP 5 HE3 TRP 5 8.787 2.859 -20.706
170 HZ2 TRP 5 HZ2 TRP 5 6.370 -0.401 -23.605
171 HZ3 TRP 5 HZ3 TRP 5 6.512 3.320 -21.522
172 HH2 TRP 5 HH2 TRP 5 5.330 1.723 -22.941
173 H LYS 6 H LYS 6 11.745 4.490 -19.225
174 HA LYS 6 HA LYS 6 14.637 3.982 -18.958
175 HB2 LYS 6 2HB LYS 6 13.211 6.647 -19.055
176 HB3 LYS 6 3HB LYS 6 14.932 6.431 -18.762
177 HG2 LYS 6 2HG LYS 6 15.386 6.171 -20.932
178 HG3 LYS 6 3HG LYS 6 13.988 5.126 -21.197
179 HD2 LYS 6 2HD LYS 6 13.702 7.120 -22.499
180 HD3 LYS 6 3HD LYS 6 12.545 7.156 -21.166
181 HE2 LYS 6 2HE LYS 6 13.355 9.121 -20.525
182 HE3 LYS 6 3HE LYS 6 14.936 8.383 -20.267
183 HZ1 LYS 6 3HZ LYS 6 14.312 8.968 -23.027
184 HZ2 LYS 6 1HZ LYS 6 15.734 9.248 -22.155
185 HZ3 LYS 6 2HZ LYS 6 14.443 10.333 -22.038
186 H ARG 7 H ARG 7 13.802 6.664 -17.226
187 HA ARG 7 HA ARG 7 13.930 5.193 -14.724
188 HB2 ARG 7 2HB ARG 7 14.056 8.130 -15.400
189 HB3 ARG 7 3HB ARG 7 14.020 7.538 -13.745
190 HG2 ARG 7 2HG ARG 7 16.258 7.675 -13.983
191 HG3 ARG 7 3HG ARG 7 16.042 6.064 -14.670
192 HD2 ARG 7 2HD ARG 7 15.613 7.681 -16.834
193 HD3 ARG 7 3HD ARG 7 16.855 8.566 -15.950
194 HE ARG 7 HE ARG 7 17.169 6.087 -17.356
195 HH11 ARG 7 1HH1 ARG 7 18.382 8.057 -14.754
196 HH12 ARG 7 2HH1 ARG 7 19.967 7.358 -14.790
197 HH21 ARG 7 1HH2 ARG 7 19.252 5.159 -17.414
198 HH22 ARG 7 2HH2 ARG 7 20.461 5.710 -16.304
199 H LYS 8 H LYS 8 12.052 8.111 -15.451
200 HA LYS 8 HA LYS 8 9.946 7.392 -13.706
201 HB2 LYS 8 2HB LYS 8 8.749 9.319 -14.739
202 HB3 LYS 8 3HB LYS 8 10.366 9.715 -14.170
203 HG2 LYS 8 2HG LYS 8 10.093 8.896 -17.001
204 HG3 LYS 8 3HG LYS 8 9.453 10.476 -16.544
205 HD2 LYS 8 2HD LYS 8 11.875 10.491 -15.300
206 HD3 LYS 8 3HD LYS 8 12.231 9.547 -16.749
207 HE2 LYS 8 2HE LYS 8 11.056 11.416 -18.036
208 HE3 LYS 8 3HE LYS 8 11.184 12.356 -16.550
209 HZ1 LYS 8 3HZ LYS 8 13.670 11.152 -17.224
210 HZ2 LYS 8 1HZ LYS 8 13.305 12.784 -16.971
211 HZ3 LYS 8 2HZ LYS 8 13.098 12.099 -18.503
212 H CYS 9 H CYS 9 9.685 5.172 -14.647
213 HA CYS 9 HA CYS 9 8.802 4.399 -17.057
214 HB2 CYS 9 2HB CYS 9 7.111 2.900 -15.717
215 HB3 CYS 9 3HB CYS 9 8.846 2.671 -15.523
216 HA PRO 10 HA PRO 10 5.347 7.275 -17.576
217 HB2 PRO 10 2HB PRO 10 5.231 6.976 -20.272
218 HB3 PRO 10 3HB PRO 10 6.393 8.041 -19.473
219 HG2 PRO 10 2HG PRO 10 6.783 5.270 -20.536
220 HG3 PRO 10 3HG PRO 10 7.848 6.681 -20.673
221 HD2 PRO 10 2HD PRO 10 8.270 4.708 -18.867
222 HD3 PRO 10 3HD PRO 10 8.702 6.401 -18.550
223 H LEU 11 H LEU 11 5.595 4.263 -19.481
224 HA LEU 11 HA LEU 11 2.713 3.856 -19.113
225 HB2 LEU 11 2HB LEU 11 4.706 2.713 -21.051
226 HB3 LEU 11 3HB LEU 11 3.083 2.051 -20.863
227 HG LEU 11 HG LEU 11 2.230 4.374 -21.447
228 HD11 LEU 11 1HD1 LEU 11 3.869 5.919 -21.367
229 HD12 LEU 11 2HD1 LEU 11 4.137 5.409 -23.033
230 HD13 LEU 11 3HD1 LEU 11 5.139 4.753 -21.738
231 HD21 LEU 11 3HD2 LEU 11 3.801 3.091 -23.661
232 HD22 LEU 11 1HD2 LEU 11 2.233 3.894 -23.740
233 HD23 LEU 11 2HD2 LEU 11 2.379 2.321 -22.957
234 H PHE 12 H PHE 12 5.580 1.740 -19.316
235 HA PHE 12 HA PHE 12 4.406 -0.355 -17.836
236 HB2 PHE 12 2HB PHE 12 6.518 -1.420 -17.931
237 HB3 PHE 12 3HB PHE 12 6.403 -0.486 -19.419
238 HD1 PHE 12 HD2 PHE 12 7.219 2.122 -18.886
239 HD2 PHE 12 HD1 PHE 12 8.634 -1.461 -17.075
240 HE1 PHE 12 HE2 PHE 12 9.346 3.236 -18.352
241 HE2 PHE 12 HE1 PHE 12 10.764 -0.351 -16.536
242 HZ PHE 12 HZ PHE 12 11.122 2.000 -17.176
243 H GLY 13 H GLY 13 3.535 0.957 -16.049
244 HA2 GLY 13 2HA GLY 13 5.558 1.269 -13.918
245 HA3 GLY 13 3HA GLY 13 4.257 2.430 -14.136
246 H LYS 14 H LYS 14 2.371 2.095 -13.120
247 HA LYS 14 HA LYS 14 2.086 0.370 -11.015
248 HB2 LYS 14 2HB LYS 14 0.035 1.676 -12.786
249 HB3 LYS 14 3HB LYS 14 -0.444 0.669 -11.426
250 HG2 LYS 14 2HG LYS 14 -0.143 2.352 -10.023
251 HG3 LYS 14 3HG LYS 14 1.525 2.555 -10.564
252 HD2 LYS 14 2HD LYS 14 0.296 3.704 -12.627
253 HD3 LYS 14 3HD LYS 14 -0.939 3.987 -11.397
254 HE2 LYS 14 2HE LYS 14 0.585 5.188 -10.026
255 HE3 LYS 14 3HE LYS 14 1.963 4.687 -11.005
256 HZ1 LYS 14 3HZ LYS 14 0.278 5.944 -12.759
257 HZ2 LYS 14 1HZ LYS 14 1.697 6.585 -12.097
258 HZ3 LYS 14 2HZ LYS 14 0.205 6.900 -11.366
259 H GLY 15 H GLY 15 1.746 -0.333 -14.379
260 HA2 GLY 15 2HA GLY 15 0.067 -2.427 -14.613
261 HA3 GLY 15 3HA GLY 15 1.638 -2.409 -15.400
262 H GLY 16 H GLY 16 3.141 -2.490 -12.908
263 HA2 GLY 16 2HA GLY 16 3.339 -5.294 -12.619
264 HA3 GLY 16 3HA GLY 16 4.128 -4.099 -11.601
Start of MODEL 17
1 H1 VAL 1 H VAL 1 4.455 0.711 1.689
2 HA VAL 1 HA VAL 1 2.751 -0.191 -0.482
3 HB VAL 1 HB VAL 1 3.115 2.251 -0.898
4 HG11 VAL 1 1HG1 VAL 1 5.977 1.485 -1.431
5 HG12 VAL 1 2HG1 VAL 1 5.259 3.096 -1.473
6 HG13 VAL 1 3HG1 VAL 1 5.440 2.250 0.064
7 HG21 VAL 1 3HG2 VAL 1 3.603 1.994 -3.236
8 HG22 VAL 1 1HG2 VAL 1 4.424 0.461 -2.941
9 HG23 VAL 1 2HG2 VAL 1 2.681 0.590 -2.701
10 H ALA 2 H ALA 2 3.865 -1.466 -2.048
11 HA ALA 2 HA ALA 2 5.737 -3.231 -1.061
12 HB1 ALA 2 1HB ALA 2 4.419 -3.755 -3.007
13 HB2 ALA 2 2HB ALA 2 5.211 -2.478 -3.932
14 HB3 ALA 2 3HB ALA 2 6.130 -3.890 -3.414
15 H ARG 3 H ARG 3 6.652 -1.229 -3.830
16 HA ARG 3 HA ARG 3 9.179 -0.595 -2.452
17 HB2 ARG 3 2HB ARG 3 8.693 -1.660 -5.205
18 HB3 ARG 3 3HB ARG 3 10.072 -0.605 -4.927
19 HG2 ARG 3 2HG ARG 3 10.724 -2.932 -4.774
20 HG3 ARG 3 3HG ARG 3 10.896 -2.135 -3.209
21 HD2 ARG 3 2HD ARG 3 9.235 -3.351 -2.255
22 HD3 ARG 3 3HD ARG 3 8.305 -3.450 -3.749
23 HE ARG 3 HE ARG 3 10.560 -4.997 -4.136
24 HH11 ARG 3 1HH1 ARG 3 7.835 -4.952 -1.970
25 HH12 ARG 3 2HH1 ARG 3 7.826 -6.669 -1.737
26 HH21 ARG 3 1HH2 ARG 3 10.559 -7.258 -3.838
27 HH22 ARG 3 2HH2 ARG 3 9.376 -7.979 -2.799
28 H GLY 4 H GLY 4 8.786 1.496 -1.903
29 HA2 GLY 4 2HA GLY 4 7.371 3.495 -2.785
30 HA3 GLY 4 3HA GLY 4 9.082 3.768 -2.494
31 H TRP 5 H TRP 5 6.611 3.313 -4.896
32 HA TRP 5 HA TRP 5 8.082 3.045 -7.214
33 HB2 TRP 5 2HB TRP 5 5.679 4.854 -7.070
34 HB3 TRP 5 3HB TRP 5 6.184 3.801 -8.390
35 HD1 TRP 5 HD1 TRP 5 3.446 3.929 -6.229
36 HE1 TRP 5 HE1 TRP 5 2.550 1.613 -5.551
37 HE3 TRP 5 HE3 TRP 5 7.503 1.087 -7.495
38 HZ2 TRP 5 HZ2 TRP 5 3.445 -1.064 -5.551
39 HZ3 TRP 5 HZ3 TRP 5 7.402 -1.344 -7.124
40 HH2 TRP 5 HH2 TRP 5 5.415 -2.395 -6.171
41 H LYS 6 H LYS 6 9.928 4.183 -7.481
42 HA LYS 6 HA LYS 6 9.756 7.119 -7.329
43 HB2 LYS 6 2HB LYS 6 12.172 5.315 -7.104
44 HB3 LYS 6 3HB LYS 6 12.226 7.072 -7.087
45 HG2 LYS 6 2HG LYS 6 11.684 7.168 -4.932
46 HG3 LYS 6 3HG LYS 6 10.375 5.999 -5.123
47 HD2 LYS 6 2HD LYS 6 12.121 4.196 -5.157
48 HD3 LYS 6 3HD LYS 6 13.308 5.427 -4.719
49 HE2 LYS 6 2HE LYS 6 10.854 5.240 -3.063
50 HE3 LYS 6 3HE LYS 6 12.038 3.944 -2.905
51 HZ1 LYS 6 3HZ LYS 6 12.674 5.500 -1.322
52 HZ2 LYS 6 1HZ LYS 6 12.374 6.821 -2.334
53 HZ3 LYS 6 2HZ LYS 6 13.713 5.827 -2.616
54 H ARG 7 H ARG 7 12.597 6.203 -8.760
55 HA ARG 7 HA ARG 7 11.662 7.070 -11.366
56 HB2 ARG 7 2HB ARG 7 14.303 6.751 -10.038
57 HB3 ARG 7 3HB ARG 7 14.264 6.611 -11.790
58 HG2 ARG 7 2HG ARG 7 14.553 8.831 -11.727
59 HG3 ARG 7 3HG ARG 7 12.812 8.861 -11.443
60 HD2 ARG 7 2HD ARG 7 13.041 9.397 -9.243
61 HD3 ARG 7 3HD ARG 7 14.566 8.528 -9.079
62 HE ARG 7 HE ARG 7 15.643 10.491 -9.485
63 HH11 ARG 7 1HH1 ARG 7 12.432 10.704 -10.814
64 HH12 ARG 7 2HH1 ARG 7 12.601 12.360 -11.296
65 HH21 ARG 7 1HH2 ARG 7 15.877 12.671 -10.115
66 HH22 ARG 7 2HH2 ARG 7 14.561 13.477 -10.899
67 H LYS 8 H LYS 8 14.152 4.637 -10.800
68 HA LYS 8 HA LYS 8 13.435 3.070 -13.008
69 HB2 LYS 8 2HB LYS 8 15.159 2.631 -10.601
70 HB3 LYS 8 3HB LYS 8 14.801 1.273 -11.659
71 HG2 LYS 8 2HG LYS 8 16.820 2.096 -12.461
72 HG3 LYS 8 3HG LYS 8 15.619 2.780 -13.560
73 HD2 LYS 8 2HD LYS 8 17.170 4.511 -12.983
74 HD3 LYS 8 3HD LYS 8 15.642 4.856 -12.170
75 HE2 LYS 8 2HE LYS 8 16.483 4.364 -10.090
76 HE3 LYS 8 3HE LYS 8 17.709 3.269 -10.727
77 HZ1 LYS 8 3HZ LYS 8 19.122 4.986 -11.211
78 HZ2 LYS 8 1HZ LYS 8 18.371 5.600 -9.825
79 HZ3 LYS 8 2HZ LYS 8 17.886 6.133 -11.355
80 H CYS 9 H CYS 9 11.177 2.730 -12.863
81 HA CYS 9 HA CYS 9 9.645 1.750 -10.866
82 HB2 CYS 9 2HB CYS 9 9.551 0.760 -13.724
83 HB3 CYS 9 3HB CYS 9 8.236 0.677 -12.556
84 HA PRO 10 HA PRO 10 11.971 -2.018 -9.947
85 HB2 PRO 10 2HB PRO 10 10.850 -2.364 -7.499
86 HB3 PRO 10 3HB PRO 10 12.185 -1.244 -7.795
87 HG2 PRO 10 2HG PRO 10 9.255 -0.679 -7.567
88 HG3 PRO 10 3HG PRO 10 10.624 0.219 -6.885
89 HD2 PRO 10 2HD PRO 10 9.335 1.012 -9.130
90 HD3 PRO 10 3HD PRO 10 11.068 1.298 -8.872
91 H LEU 11 H LEU 11 8.558 -1.684 -8.941
92 HA LEU 11 HA LEU 11 8.083 -4.414 -9.924
93 HB2 LEU 11 2HB LEU 11 7.617 -3.798 -7.503
94 HB3 LEU 11 3HB LEU 11 6.280 -2.827 -8.116
95 HG LEU 11 HG LEU 11 5.661 -5.094 -7.230
96 HD11 LEU 11 1HD1 LEU 11 3.860 -4.968 -8.528
97 HD12 LEU 11 2HD1 LEU 11 4.791 -5.315 -9.984
98 HD13 LEU 11 3HD1 LEU 11 4.680 -3.662 -9.382
99 HD21 LEU 11 3HD2 LEU 11 7.649 -6.262 -8.161
100 HD22 LEU 11 1HD2 LEU 11 6.954 -6.074 -9.770
101 HD23 LEU 11 2HD2 LEU 11 6.116 -7.041 -8.556
102 H PHE 12 H PHE 12 6.206 -1.399 -9.566
103 HA PHE 12 HA PHE 12 4.375 -2.028 -11.615
104 HB2 PHE 12 2HB PHE 12 3.486 0.127 -11.297
105 HB3 PHE 12 3HB PHE 12 4.141 -0.305 -9.721
106 HD1 PHE 12 HD1 PHE 12 6.874 0.292 -9.737
107 HD2 PHE 12 HD2 PHE 12 3.743 2.351 -11.754
108 HE1 PHE 12 HE1 PHE 12 8.229 2.346 -9.735
109 HE2 PHE 12 HE2 PHE 12 5.092 4.408 -11.756
110 HZ PHE 12 HZ PHE 12 7.339 4.407 -10.747
111 H GLY 13 H GLY 13 5.920 -2.747 -13.267
112 HA2 GLY 13 2HA GLY 13 6.883 -0.454 -14.862
113 HA3 GLY 13 3HA GLY 13 7.827 -1.926 -14.694
114 H LYS 14 H LYS 14 7.603 -3.427 -16.216
115 HA LYS 14 HA LYS 14 6.223 -3.089 -18.556
116 HB2 LYS 14 2HB LYS 14 6.929 -5.703 -17.210
117 HB3 LYS 14 3HB LYS 14 6.469 -5.536 -18.900
118 HG2 LYS 14 2HG LYS 14 8.547 -5.034 -19.471
119 HG3 LYS 14 3HG LYS 14 8.611 -3.730 -18.283
120 HD2 LYS 14 2HD LYS 14 8.884 -5.798 -16.625
121 HD3 LYS 14 3HD LYS 14 9.547 -6.539 -18.084
122 HE2 LYS 14 2HE LYS 14 11.203 -4.831 -18.284
123 HE3 LYS 14 3HE LYS 14 10.449 -3.873 -17.011
124 HZ1 LYS 14 3HZ LYS 14 11.608 -4.964 -15.490
125 HZ2 LYS 14 1HZ LYS 14 12.451 -5.756 -16.726
126 HZ3 LYS 14 2HZ LYS 14 11.068 -6.464 -16.057
127 H GLY 15 H GLY 15 4.973 -4.085 -15.503
128 HA2 GLY 15 2HA GLY 15 2.813 -5.625 -15.935
129 HA3 GLY 15 3HA GLY 15 2.749 -4.235 -14.862
130 H GLY 16 H GLY 16 3.119 -2.276 -16.970
131 HA2 GLY 16 2HA GLY 16 0.399 -1.900 -17.680
132 HA3 GLY 16 3HA GLY 16 1.758 -0.947 -18.260
133 H1 VAL 1 H VAL 1 6.520 -2.918 -28.846
134 HA VAL 1 HA VAL 1 6.602 -1.715 -26.914
135 HB VAL 1 HB VAL 1 8.820 -0.169 -28.263
136 HG11 VAL 1 1HG1 VAL 1 7.571 -0.020 -25.627
137 HG12 VAL 1 2HG1 VAL 1 9.327 -0.191 -25.573
138 HG13 VAL 1 3HG1 VAL 1 8.597 1.144 -26.464
139 HG21 VAL 1 3HG2 VAL 1 8.989 -2.562 -26.432
140 HG22 VAL 1 1HG2 VAL 1 9.259 -2.588 -28.175
141 HG23 VAL 1 2HG2 VAL 1 10.347 -1.677 -27.127
142 H ALA 2 H ALA 2 5.691 0.133 -26.018
143 HA ALA 2 HA ALA 2 4.100 1.706 -27.808
144 HB1 ALA 2 1HB ALA 2 2.814 1.972 -26.018
145 HB2 ALA 2 2HB ALA 2 3.956 0.972 -25.118
146 HB3 ALA 2 3HB ALA 2 4.130 2.727 -25.117
147 H ARG 3 H ARG 3 6.301 2.774 -25.210
148 HA ARG 3 HA ARG 3 7.112 5.006 -26.956
149 HB2 ARG 3 2HB ARG 3 6.853 5.023 -23.943
150 HB3 ARG 3 3HB ARG 3 7.388 6.372 -24.936
151 HG2 ARG 3 2HG ARG 3 4.658 5.104 -24.988
152 HG3 ARG 3 3HG ARG 3 5.078 6.655 -24.261
153 HD2 ARG 3 2HD ARG 3 5.172 5.914 -27.180
154 HD3 ARG 3 3HD ARG 3 4.084 7.064 -26.403
155 HE ARG 3 HE ARG 3 6.813 7.520 -27.203
156 HH11 ARG 3 1HH1 ARG 3 4.205 8.547 -25.138
157 HH12 ARG 3 2HH1 ARG 3 4.814 10.158 -24.950
158 HH21 ARG 3 1HH2 ARG 3 7.625 9.638 -26.964
159 HH22 ARG 3 2HH2 ARG 3 6.759 10.777 -25.990
160 H GLY 4 H GLY 4 8.757 5.299 -24.148
161 HA2 GLY 4 2HA GLY 4 10.965 3.555 -25.042
162 HA3 GLY 4 3HA GLY 4 11.247 5.240 -24.631
163 H TRP 5 H TRP 5 10.245 2.117 -23.339
164 HA TRP 5 HA TRP 5 9.977 2.733 -20.663
165 HB2 TRP 5 2HB TRP 5 11.339 0.213 -21.599
166 HB3 TRP 5 3HB TRP 5 10.288 0.433 -20.204
167 HD1 TRP 5 HD1 TRP 5 9.938 -1.624 -22.823
168 HE1 TRP 5 HE1 TRP 5 7.627 -1.642 -23.956
169 HE3 TRP 5 HE3 TRP 5 8.168 2.863 -21.129
170 HZ2 TRP 5 HZ2 TRP 5 5.355 0.025 -24.111
171 HZ3 TRP 5 HZ3 TRP 5 5.916 3.578 -21.816
172 HH2 TRP 5 HH2 TRP 5 4.540 2.187 -23.277
173 H LYS 6 H LYS 6 11.381 4.116 -19.717
174 HA LYS 6 HA LYS 6 14.218 3.316 -19.665
175 HB2 LYS 6 2HB LYS 6 13.074 6.110 -19.496
176 HB3 LYS 6 3HB LYS 6 14.778 5.698 -19.362
177 HG2 LYS 6 2HG LYS 6 15.035 5.540 -21.574
178 HG3 LYS 6 3HG LYS 6 13.511 4.674 -21.785
179 HD2 LYS 6 2HD LYS 6 13.431 6.816 -22.929
180 HD3 LYS 6 3HD LYS 6 12.293 6.800 -21.580
181 HE2 LYS 6 2HE LYS 6 14.951 7.762 -20.852
182 HE3 LYS 6 3HE LYS 6 14.165 8.747 -22.084
183 HZ1 LYS 6 3HZ LYS 6 13.059 9.700 -20.432
184 HZ2 LYS 6 1HZ LYS 6 13.610 8.570 -19.300
185 HZ3 LYS 6 2HZ LYS 6 12.222 8.247 -20.210
186 H ARG 7 H ARG 7 13.808 5.937 -17.727
187 HA ARG 7 HA ARG 7 13.902 4.301 -15.331
188 HB2 ARG 7 2HB ARG 7 14.133 7.303 -15.592
189 HB3 ARG 7 3HB ARG 7 14.552 6.336 -14.185
190 HG2 ARG 7 2HG ARG 7 15.948 6.430 -16.843
191 HG3 ARG 7 3HG ARG 7 16.577 6.900 -15.262
192 HD2 ARG 7 2HD ARG 7 15.945 4.346 -14.748
193 HD3 ARG 7 3HD ARG 7 16.279 4.219 -16.475
194 HE ARG 7 HE ARG 7 18.346 5.646 -15.179
195 HH11 ARG 7 1HH1 ARG 7 17.067 2.431 -15.561
196 HH12 ARG 7 2HH1 ARG 7 18.591 1.652 -15.295
197 HH21 ARG 7 1HH2 ARG 7 20.359 4.632 -14.828
198 HH22 ARG 7 2HH2 ARG 7 20.463 2.905 -14.877
199 H LYS 8 H LYS 8 12.302 7.432 -15.843
200 HA LYS 8 HA LYS 8 10.243 6.854 -13.979
201 HB2 LYS 8 2HB LYS 8 9.216 8.956 -14.823
202 HB3 LYS 8 3HB LYS 8 10.903 9.141 -14.363
203 HG2 LYS 8 2HG LYS 8 10.348 8.509 -17.199
204 HG3 LYS 8 3HG LYS 8 9.904 10.119 -16.627
205 HD2 LYS 8 2HD LYS 8 12.388 9.854 -15.564
206 HD3 LYS 8 3HD LYS 8 12.558 8.923 -17.054
207 HE2 LYS 8 2HE LYS 8 13.152 11.087 -17.683
208 HE3 LYS 8 3HE LYS 8 11.472 10.948 -18.202
209 HZ1 LYS 8 3HZ LYS 8 12.014 12.012 -15.527
210 HZ2 LYS 8 1HZ LYS 8 10.761 12.382 -16.601
211 HZ3 LYS 8 2HZ LYS 8 12.308 13.015 -16.857
212 H CYS 9 H CYS 9 9.747 4.716 -15.076
213 HA CYS 9 HA CYS 9 8.631 4.184 -17.436
214 HB2 CYS 9 2HB CYS 9 6.846 2.819 -16.059
215 HB3 CYS 9 3HB CYS 9 8.548 2.372 -16.013
216 HA PRO 10 HA PRO 10 5.498 7.455 -17.588
217 HB2 PRO 10 2HB PRO 10 5.252 7.379 -20.290
218 HB3 PRO 10 3HB PRO 10 6.549 8.255 -19.468
219 HG2 PRO 10 2HG PRO 10 6.605 5.549 -20.747
220 HG3 PRO 10 3HG PRO 10 7.807 6.850 -20.828
221 HD2 PRO 10 2HD PRO 10 8.084 4.710 -19.192
222 HD3 PRO 10 3HD PRO 10 8.704 6.319 -18.772
223 H LEU 11 H LEU 11 5.346 4.613 -19.749
224 HA LEU 11 HA LEU 11 2.453 4.489 -19.323
225 HB2 LEU 11 2HB LEU 11 3.654 4.380 -21.619
226 HB3 LEU 11 3HB LEU 11 3.986 2.706 -21.176
227 HG LEU 11 HG LEU 11 1.178 3.744 -21.137
228 HD11 LEU 11 1HD1 LEU 11 2.886 3.315 -23.495
229 HD12 LEU 11 2HD1 LEU 11 1.419 4.276 -23.310
230 HD13 LEU 11 3HD1 LEU 11 1.307 2.531 -23.540
231 HD21 LEU 11 3HD2 LEU 11 0.781 1.635 -20.578
232 HD22 LEU 11 1HD2 LEU 11 2.495 1.244 -20.725
233 HD23 LEU 11 2HD2 LEU 11 1.437 1.117 -22.131
234 H PHE 12 H PHE 12 5.019 2.035 -19.672
235 HA PHE 12 HA PHE 12 3.620 0.063 -18.221
236 HB2 PHE 12 2HB PHE 12 5.574 -1.267 -18.414
237 HB3 PHE 12 3HB PHE 12 5.524 -0.286 -19.875
238 HD1 PHE 12 HD1 PHE 12 6.684 2.187 -19.299
239 HD2 PHE 12 HD2 PHE 12 7.706 -1.609 -17.666
240 HE1 PHE 12 HE1 PHE 12 8.956 3.005 -18.828
241 HE2 PHE 12 HE2 PHE 12 9.979 -0.797 -17.192
242 HZ PHE 12 HZ PHE 12 10.607 1.513 -17.772
243 H GLY 13 H GLY 13 2.992 1.432 -16.367
244 HA2 GLY 13 2HA GLY 13 5.103 1.390 -14.299
245 HA3 GLY 13 3HA GLY 13 3.959 2.717 -14.433
246 H LYS 14 H LYS 14 2.080 2.593 -13.359
247 HA LYS 14 HA LYS 14 1.633 0.857 -11.297
248 HB2 LYS 14 2HB LYS 14 -0.455 2.253 -12.981
249 HB3 LYS 14 3HB LYS 14 -0.748 1.545 -11.398
250 HG2 LYS 14 2HG LYS 14 0.219 3.258 -10.304
251 HG3 LYS 14 3HG LYS 14 1.460 3.487 -11.538
252 HD2 LYS 14 2HD LYS 14 -0.571 4.331 -12.971
253 HD3 LYS 14 3HD LYS 14 -1.305 4.598 -11.388
254 HE2 LYS 14 2HE LYS 14 1.384 5.672 -12.228
255 HE3 LYS 14 3HE LYS 14 -0.122 6.586 -12.309
256 HZ1 LYS 14 3HZ LYS 14 1.359 5.672 -9.929
257 HZ2 LYS 14 1HZ LYS 14 -0.298 6.000 -9.830
258 HZ3 LYS 14 2HZ LYS 14 0.779 7.219 -10.294
259 H GLY 15 H GLY 15 1.104 0.300 -14.668
260 HA2 GLY 15 2HA GLY 15 -0.822 -1.572 -14.891
261 HA3 GLY 15 3HA GLY 15 0.712 -1.716 -15.738
262 H GLY 16 H GLY 16 2.265 -2.038 -13.283
263 HA2 GLY 16 2HA GLY 16 2.153 -4.856 -13.085
264 HA3 GLY 16 3HA GLY 16 3.098 -3.791 -12.055
Start of MODEL 18
1 H1 VAL 1 H VAL 1 0.594 -1.542 -0.770
2 HA VAL 1 HA VAL 1 1.265 -1.395 -3.632
3 HB VAL 1 HB VAL 1 1.385 0.868 -2.800
4 HG11 VAL 1 1HG1 VAL 1 3.530 0.733 -0.942
5 HG12 VAL 1 2HG1 VAL 1 1.884 1.314 -0.684
6 HG13 VAL 1 3HG1 VAL 1 2.272 -0.385 -0.416
7 HG21 VAL 1 3HG2 VAL 1 3.375 1.364 -3.764
8 HG22 VAL 1 1HG2 VAL 1 4.264 0.199 -2.782
9 HG23 VAL 1 2HG2 VAL 1 3.336 -0.350 -4.177
10 H ALA 2 H ALA 2 3.227 -2.299 -4.242
11 HA ALA 2 HA ALA 2 4.181 -4.419 -2.589
12 HB1 ALA 2 1HB ALA 2 4.901 -5.236 -4.523
13 HB2 ALA 2 2HB ALA 2 4.262 -3.793 -5.311
14 HB3 ALA 2 3HB ALA 2 5.945 -3.839 -4.785
15 H ARG 3 H ARG 3 6.128 -1.878 -4.151
16 HA ARG 3 HA ARG 3 7.707 -1.698 -1.668
17 HB2 ARG 3 2HB ARG 3 8.711 -1.391 -4.504
18 HB3 ARG 3 3HB ARG 3 9.681 -1.253 -3.045
19 HG2 ARG 3 2HG ARG 3 8.268 -3.737 -3.993
20 HG3 ARG 3 3HG ARG 3 9.998 -3.409 -4.122
21 HD2 ARG 3 2HD ARG 3 8.369 -3.819 -1.625
22 HD3 ARG 3 3HD ARG 3 9.693 -4.815 -2.231
23 HE ARG 3 HE ARG 3 9.905 -2.393 -0.699
24 HH11 ARG 3 1HH1 ARG 3 11.507 -4.497 -2.963
25 HH12 ARG 3 2HH1 ARG 3 13.099 -3.988 -2.510
26 HH21 ARG 3 1HH2 ARG 3 11.996 -1.714 -0.093
27 HH22 ARG 3 2HH2 ARG 3 13.377 -2.405 -0.876
28 H GLY 4 H GLY 4 9.046 0.381 -3.779
29 HA2 GLY 4 2HA GLY 4 7.256 2.600 -3.002
30 HA3 GLY 4 3HA GLY 4 9.003 2.725 -2.867
31 H TRP 5 H TRP 5 6.279 2.751 -5.021
32 HA TRP 5 HA TRP 5 7.659 2.785 -7.474
33 HB2 TRP 5 2HB TRP 5 5.069 4.242 -6.972
34 HB3 TRP 5 3HB TRP 5 5.620 3.474 -8.458
35 HD1 TRP 5 HD1 TRP 5 2.887 2.881 -6.576
36 HE1 TRP 5 HE1 TRP 5 2.381 0.406 -6.081
37 HE3 TRP 5 HE3 TRP 5 7.506 0.903 -7.520
38 HZ2 TRP 5 HZ2 TRP 5 3.757 -2.058 -6.089
39 HZ3 TRP 5 HZ3 TRP 5 7.827 -1.521 -7.253
40 HH2 TRP 5 HH2 TRP 5 5.991 -2.969 -6.551
41 H LYS 6 H LYS 6 9.421 4.149 -7.420
42 HA LYS 6 HA LYS 6 8.841 7.020 -7.103
43 HB2 LYS 6 2HB LYS 6 11.465 5.549 -6.796
44 HB3 LYS 6 3HB LYS 6 11.260 7.289 -6.649
45 HG2 LYS 6 2HG LYS 6 10.502 7.139 -4.556
46 HG3 LYS 6 3HG LYS 6 9.469 5.758 -4.929
47 HD2 LYS 6 2HD LYS 6 11.003 4.850 -3.448
48 HD3 LYS 6 3HD LYS 6 11.697 4.433 -5.016
49 HE2 LYS 6 2HE LYS 6 13.352 6.067 -4.853
50 HE3 LYS 6 3HE LYS 6 12.476 6.963 -3.613
51 HZ1 LYS 6 3HZ LYS 6 13.225 5.613 -1.976
52 HZ2 LYS 6 1HZ LYS 6 14.517 5.405 -3.048
53 HZ3 LYS 6 2HZ LYS 6 13.295 4.239 -2.960
54 H ARG 7 H ARG 7 11.876 6.614 -8.341
55 HA ARG 7 HA ARG 7 11.048 7.557 -10.946
56 HB2 ARG 7 2HB ARG 7 13.741 7.144 -9.653
57 HB3 ARG 7 3HB ARG 7 13.565 7.638 -11.331
58 HG2 ARG 7 2HG ARG 7 13.607 9.721 -10.552
59 HG3 ARG 7 3HG ARG 7 11.954 9.421 -10.010
60 HD2 ARG 7 2HD ARG 7 12.618 8.996 -7.822
61 HD3 ARG 7 3HD ARG 7 14.284 8.660 -8.291
62 HE ARG 7 HE ARG 7 14.741 10.892 -8.112
63 HH11 ARG 7 1HH1 ARG 7 11.292 10.455 -8.296
64 HH12 ARG 7 2HH1 ARG 7 10.932 12.118 -7.969
65 HH21 ARG 7 1HH2 ARG 7 14.280 13.084 -7.680
66 HH22 ARG 7 2HH2 ARG 7 12.633 13.613 -7.619
67 H LYS 8 H LYS 8 13.756 5.371 -10.459
68 HA LYS 8 HA LYS 8 13.223 3.895 -12.796
69 HB2 LYS 8 2HB LYS 8 14.894 3.012 -10.438
70 HB3 LYS 8 3HB LYS 8 15.019 2.437 -12.095
71 HG2 LYS 8 2HG LYS 8 15.321 5.328 -11.842
72 HG3 LYS 8 3HG LYS 8 16.546 4.404 -10.970
73 HD2 LYS 8 2HD LYS 8 15.846 3.727 -13.804
74 HD3 LYS 8 3HD LYS 8 16.975 5.035 -13.442
75 HE2 LYS 8 2HE LYS 8 18.613 3.579 -13.079
76 HE3 LYS 8 3HE LYS 8 17.639 2.722 -11.886
77 HZ1 LYS 8 3HZ LYS 8 18.372 1.336 -13.788
78 HZ2 LYS 8 1HZ LYS 8 17.423 2.290 -14.813
79 HZ3 LYS 8 2HZ LYS 8 16.692 1.378 -13.591
80 H CYS 9 H CYS 9 11.011 3.276 -12.584
81 HA CYS 9 HA CYS 9 9.741 1.912 -10.621
82 HB2 CYS 9 2HB CYS 9 8.634 0.596 -12.598
83 HB3 CYS 9 3HB CYS 9 8.398 2.335 -12.459
84 HA PRO 10 HA PRO 10 12.537 -1.612 -10.233
85 HB2 PRO 10 2HB PRO 10 11.564 -2.392 -7.822
86 HB3 PRO 10 3HB PRO 10 12.732 -1.078 -8.007
87 HG2 PRO 10 2HG PRO 10 9.763 -0.937 -7.647
88 HG3 PRO 10 3HG PRO 10 11.030 0.046 -6.890
89 HD2 PRO 10 2HD PRO 10 9.566 0.923 -8.992
90 HD3 PRO 10 3HD PRO 10 11.256 1.404 -8.739
91 H LEU 11 H LEU 11 9.122 -1.804 -9.205
92 HA LEU 11 HA LEU 11 8.984 -4.484 -10.402
93 HB2 LEU 11 2HB LEU 11 7.325 -3.122 -8.297
94 HB3 LEU 11 3HB LEU 11 6.833 -4.628 -9.068
95 HG LEU 11 HG LEU 11 9.016 -5.609 -8.226
96 HD11 LEU 11 1HD1 LEU 11 10.480 -4.173 -7.368
97 HD12 LEU 11 2HD1 LEU 11 9.418 -4.060 -5.966
98 HD13 LEU 11 3HD1 LEU 11 9.276 -2.887 -7.275
99 HD21 LEU 11 3HD2 LEU 11 7.440 -4.803 -5.856
100 HD22 LEU 11 1HD2 LEU 11 7.939 -6.405 -6.399
101 HD23 LEU 11 2HD2 LEU 11 6.566 -5.604 -7.163
102 H PHE 12 H PHE 12 6.781 -1.717 -9.914
103 HA PHE 12 HA PHE 12 5.079 -2.412 -12.056
104 HB2 PHE 12 2HB PHE 12 3.946 -0.388 -11.632
105 HB3 PHE 12 3HB PHE 12 4.582 -0.876 -10.065
106 HD1 PHE 12 HD2 PHE 12 7.134 0.041 -9.734
107 HD2 PHE 12 HD1 PHE 12 4.073 1.847 -12.075
108 HE1 PHE 12 HE2 PHE 12 8.254 2.220 -9.511
109 HE2 PHE 12 HE1 PHE 12 5.188 4.029 -11.856
110 HZ PHE 12 HZ PHE 12 7.281 4.218 -10.572
111 H GLY 13 H GLY 13 6.679 -2.826 -13.733
112 HA2 GLY 13 2HA GLY 13 7.424 -0.331 -15.126
113 HA3 GLY 13 3HA GLY 13 8.535 -1.689 -15.025
114 H LYS 14 H LYS 14 8.554 -3.049 -16.683
115 HA LYS 14 HA LYS 14 7.145 -2.718 -19.013
116 HB2 LYS 14 2HB LYS 14 7.680 -5.210 -19.398
117 HB3 LYS 14 3HB LYS 14 9.023 -4.101 -19.157
118 HG2 LYS 14 2HG LYS 14 9.049 -4.784 -16.753
119 HG3 LYS 14 3HG LYS 14 7.857 -6.021 -17.157
120 HD2 LYS 14 2HD LYS 14 10.023 -7.041 -17.183
121 HD3 LYS 14 3HD LYS 14 9.464 -6.908 -18.852
122 HE2 LYS 14 2HE LYS 14 10.839 -4.522 -18.275
123 HE3 LYS 14 3HE LYS 14 11.829 -5.834 -17.636
124 HZ1 LYS 14 3HZ LYS 14 11.692 -6.914 -19.815
125 HZ2 LYS 14 1HZ LYS 14 12.412 -5.386 -19.915
126 HZ3 LYS 14 2HZ LYS 14 10.811 -5.600 -20.416
127 H GLY 15 H GLY 15 6.044 -4.105 -16.072
128 HA2 GLY 15 2HA GLY 15 4.163 -5.946 -16.672
129 HA3 GLY 15 3HA GLY 15 3.883 -4.686 -15.480
130 H GLY 16 H GLY 16 3.988 -2.539 -17.479
131 HA2 GLY 16 2HA GLY 16 1.234 -2.465 -18.134
132 HA3 GLY 16 3HA GLY 16 2.455 -1.329 -18.689
133 H1 VAL 1 H VAL 1 7.813 -0.830 -29.734
134 HA VAL 1 HA VAL 1 7.653 -0.991 -26.861
135 HB VAL 1 HB VAL 1 10.033 -0.636 -27.044
136 HG11 VAL 1 1HG1 VAL 1 10.916 1.412 -28.152
137 HG12 VAL 1 2HG1 VAL 1 10.208 0.243 -29.268
138 HG13 VAL 1 3HG1 VAL 1 9.307 1.691 -28.817
139 HG21 VAL 1 3HG2 VAL 1 8.331 0.913 -25.579
140 HG22 VAL 1 1HG2 VAL 1 10.085 0.886 -25.397
141 HG23 VAL 1 2HG2 VAL 1 9.321 2.128 -26.388
142 H ALA 2 H ALA 2 6.370 0.589 -25.998
143 HA ALA 2 HA ALA 2 4.713 2.058 -27.783
144 HB1 ALA 2 1HB ALA 2 3.346 2.130 -26.032
145 HB2 ALA 2 2HB ALA 2 4.560 1.222 -25.130
146 HB3 ALA 2 3HB ALA 2 4.542 2.984 -25.057
147 H ARG 3 H ARG 3 6.462 3.427 -25.006
148 HA ARG 3 HA ARG 3 7.099 5.763 -26.684
149 HB2 ARG 3 2HB ARG 3 5.558 6.021 -24.646
150 HB3 ARG 3 3HB ARG 3 7.002 5.768 -23.675
151 HG2 ARG 3 2HG ARG 3 6.524 8.133 -23.928
152 HG3 ARG 3 3HG ARG 3 8.047 7.714 -24.715
153 HD2 ARG 3 2HD ARG 3 7.296 8.547 -26.629
154 HD3 ARG 3 3HD ARG 3 5.957 7.400 -26.610
155 HE ARG 3 HE ARG 3 4.563 9.077 -25.885
156 HH11 ARG 3 1HH1 ARG 3 7.876 10.117 -25.632
157 HH12 ARG 3 2HH1 ARG 3 7.468 11.765 -25.286
158 HH21 ARG 3 1HH2 ARG 3 4.014 11.243 -25.430
159 HH22 ARG 3 2HH2 ARG 3 5.271 12.405 -25.171
160 H GLY 4 H GLY 4 8.622 6.117 -23.799
161 HA2 GLY 4 2HA GLY 4 11.076 4.768 -24.735
162 HA3 GLY 4 3HA GLY 4 11.105 6.440 -24.194
163 H TRP 5 H TRP 5 10.682 3.105 -23.195
164 HA TRP 5 HA TRP 5 10.211 3.460 -20.480
165 HB2 TRP 5 2HB TRP 5 11.951 1.266 -21.602
166 HB3 TRP 5 3HB TRP 5 10.913 1.206 -20.181
167 HD1 TRP 5 HD1 TRP 5 10.780 -0.736 -22.855
168 HE1 TRP 5 HE1 TRP 5 8.489 -0.996 -23.998
169 HE3 TRP 5 HE3 TRP 5 8.478 3.442 -21.018
170 HZ2 TRP 5 HZ2 TRP 5 6.031 0.387 -24.107
171 HZ3 TRP 5 HZ3 TRP 5 6.156 3.902 -21.691
172 HH2 TRP 5 HH2 TRP 5 4.960 2.405 -23.204
173 H LYS 6 H LYS 6 11.374 5.039 -19.475
174 HA LYS 6 HA LYS 6 14.294 4.656 -19.357
175 HB2 LYS 6 2HB LYS 6 12.671 7.195 -19.161
176 HB3 LYS 6 3HB LYS 6 14.383 7.104 -18.771
177 HG2 LYS 6 2HG LYS 6 13.113 6.577 -21.448
178 HG3 LYS 6 3HG LYS 6 14.109 7.962 -20.997
179 HD2 LYS 6 2HD LYS 6 15.971 6.339 -20.526
180 HD3 LYS 6 3HD LYS 6 14.963 5.082 -21.246
181 HE2 LYS 6 2HE LYS 6 16.113 5.690 -23.106
182 HE3 LYS 6 3HE LYS 6 14.820 6.884 -23.203
183 HZ1 LYS 6 3HZ LYS 6 17.339 7.567 -23.358
184 HZ2 LYS 6 1HZ LYS 6 17.211 7.584 -21.671
185 HZ3 LYS 6 2HZ LYS 6 16.202 8.568 -22.605
186 H ARG 7 H ARG 7 13.249 7.039 -17.270
187 HA ARG 7 HA ARG 7 13.543 5.234 -14.986
188 HB2 ARG 7 2HB ARG 7 13.396 8.219 -14.758
189 HB3 ARG 7 3HB ARG 7 14.235 7.068 -13.727
190 HG2 ARG 7 2HG ARG 7 15.038 7.980 -16.478
191 HG3 ARG 7 3HG ARG 7 15.864 8.299 -14.952
192 HD2 ARG 7 2HD ARG 7 15.673 5.538 -15.050
193 HD3 ARG 7 3HD ARG 7 16.031 6.000 -16.714
194 HE ARG 7 HE ARG 7 17.720 7.284 -14.781
195 HH11 ARG 7 1HH1 ARG 7 17.249 4.427 -16.713
196 HH12 ARG 7 2HH1 ARG 7 18.927 3.995 -16.717
197 HH21 ARG 7 1HH2 ARG 7 19.932 6.726 -14.780
198 HH22 ARG 7 2HH2 ARG 7 20.452 5.303 -15.617
199 H LYS 8 H LYS 8 11.682 8.236 -15.415
200 HA LYS 8 HA LYS 8 9.645 7.446 -13.622
201 HB2 LYS 8 2HB LYS 8 8.413 9.416 -14.525
202 HB3 LYS 8 3HB LYS 8 10.052 9.785 -14.006
203 HG2 LYS 8 2HG LYS 8 9.662 9.085 -16.855
204 HG3 LYS 8 3HG LYS 8 9.047 10.646 -16.307
205 HD2 LYS 8 2HD LYS 8 11.516 10.609 -15.164
206 HD3 LYS 8 3HD LYS 8 11.812 9.719 -16.659
207 HE2 LYS 8 2HE LYS 8 10.878 11.557 -17.953
208 HE3 LYS 8 3HE LYS 8 10.516 12.437 -16.470
209 HZ1 LYS 8 3HZ LYS 8 12.723 12.891 -16.094
210 HZ2 LYS 8 1HZ LYS 8 12.663 12.967 -17.783
211 HZ3 LYS 8 2HZ LYS 8 13.278 11.589 -17.021
212 H CYS 9 H CYS 9 9.333 5.269 -14.638
213 HA CYS 9 HA CYS 9 8.388 4.519 -16.998
214 HB2 CYS 9 2HB CYS 9 7.145 3.828 -14.331
215 HB3 CYS 9 3HB CYS 9 6.778 2.980 -15.830
216 HA PRO 10 HA PRO 10 5.099 7.603 -17.543
217 HB2 PRO 10 2HB PRO 10 5.103 7.427 -20.252
218 HB3 PRO 10 3HB PRO 10 6.262 8.412 -19.352
219 HG2 PRO 10 2HG PRO 10 6.605 5.678 -20.521
220 HG3 PRO 10 3HG PRO 10 7.724 7.053 -20.544
221 HD2 PRO 10 2HD PRO 10 7.989 4.989 -18.812
222 HD3 PRO 10 3HD PRO 10 8.465 6.648 -18.399
223 H LEU 11 H LEU 11 5.318 4.704 -19.621
224 HA LEU 11 HA LEU 11 2.421 4.337 -19.285
225 HB2 LEU 11 2HB LEU 11 4.307 3.246 -21.369
226 HB3 LEU 11 3HB LEU 11 2.588 2.872 -21.272
227 HG LEU 11 HG LEU 11 2.391 5.516 -21.437
228 HD11 LEU 11 1HD1 LEU 11 4.933 4.920 -22.942
229 HD12 LEU 11 2HD1 LEU 11 4.831 5.846 -21.445
230 HD13 LEU 11 3HD1 LEU 11 4.060 6.452 -22.911
231 HD21 LEU 11 3HD2 LEU 11 1.228 4.319 -23.018
232 HD22 LEU 11 1HD2 LEU 11 2.651 3.418 -23.542
233 HD23 LEU 11 2HD2 LEU 11 2.450 5.104 -24.020
234 H PHE 12 H PHE 12 5.282 2.256 -19.765
235 HA PHE 12 HA PHE 12 4.087 0.002 -18.532
236 HB2 PHE 12 2HB PHE 12 6.154 -1.092 -18.848
237 HB3 PHE 12 3HB PHE 12 6.036 0.040 -20.191
238 HD1 PHE 12 HD2 PHE 12 6.843 2.562 -19.010
239 HD2 PHE 12 HD1 PHE 12 8.395 -1.351 -18.383
240 HE1 PHE 12 HE2 PHE 12 9.017 3.529 -18.385
241 HE2 PHE 12 HE1 PHE 12 10.572 -0.391 -17.756
242 HZ PHE 12 HZ PHE 12 10.886 2.052 -17.757
243 H GLY 13 H GLY 13 3.313 1.144 -16.576
244 HA2 GLY 13 2HA GLY 13 5.415 1.151 -14.499
245 HA3 GLY 13 3HA GLY 13 4.133 2.353 -14.531
246 H LYS 14 H LYS 14 2.245 1.922 -13.539
247 HA LYS 14 HA LYS 14 1.981 0.024 -11.599
248 HB2 LYS 14 2HB LYS 14 -0.221 1.237 -13.278
249 HB3 LYS 14 3HB LYS 14 -0.480 0.375 -11.767
250 HG2 LYS 14 2HG LYS 14 -0.202 2.271 -10.666
251 HG3 LYS 14 3HG LYS 14 1.459 2.356 -11.255
252 HD2 LYS 14 2HD LYS 14 0.420 3.352 -13.392
253 HD3 LYS 14 3HD LYS 14 -1.016 3.610 -12.398
254 HE2 LYS 14 2HE LYS 14 1.755 4.678 -11.863
255 HE3 LYS 14 3HE LYS 14 0.367 5.607 -12.428
256 HZ1 LYS 14 3HZ LYS 14 1.105 5.062 -9.798
257 HZ2 LYS 14 1HZ LYS 14 -0.344 4.236 -10.082
258 HZ3 LYS 14 2HZ LYS 14 -0.257 5.905 -10.341
259 H GLY 15 H GLY 15 1.572 -0.395 -15.015
260 HA2 GLY 15 2HA GLY 15 -0.054 -2.504 -15.390
261 HA3 GLY 15 3HA GLY 15 1.500 -2.386 -16.203
262 H GLY 16 H GLY 16 3.095 -2.661 -13.815
263 HA2 GLY 16 2HA GLY 16 3.334 -5.468 -13.744
264 HA3 GLY 16 3HA GLY 16 4.131 -4.346 -12.651
Start of MODEL 19
1 H1 VAL 1 H VAL 1 -0.577 0.171 -1.613
2 HA VAL 1 HA VAL 1 0.971 -0.751 -3.588
3 HB VAL 1 HB VAL 1 0.836 1.618 -3.150
4 HG11 VAL 1 1HG1 VAL 1 2.048 2.689 -1.335
5 HG12 VAL 1 2HG1 VAL 1 0.902 1.508 -0.698
6 HG13 VAL 1 3HG1 VAL 1 2.621 1.121 -0.770
7 HG21 VAL 1 3HG2 VAL 1 2.848 2.138 -4.051
8 HG22 VAL 1 1HG2 VAL 1 3.750 1.247 -2.825
9 HG23 VAL 1 2HG2 VAL 1 2.990 0.384 -4.162
10 H ALA 2 H ALA 2 3.034 -1.562 -3.915
11 HA ALA 2 HA ALA 2 4.038 -3.275 -1.868
12 HB1 ALA 2 1HB ALA 2 5.901 -2.889 -4.031
13 HB2 ALA 2 2HB ALA 2 4.981 -4.326 -3.582
14 HB3 ALA 2 3HB ALA 2 4.262 -3.115 -4.644
15 H ARG 3 H ARG 3 5.880 -0.857 -3.725
16 HA ARG 3 HA ARG 3 7.244 -0.115 -1.219
17 HB2 ARG 3 2HB ARG 3 8.425 -0.229 -4.001
18 HB3 ARG 3 3HB ARG 3 9.270 0.296 -2.551
19 HG2 ARG 3 2HG ARG 3 8.198 -2.465 -3.091
20 HG3 ARG 3 3HG ARG 3 9.891 -1.968 -3.116
21 HD2 ARG 3 2HD ARG 3 9.024 -1.133 -0.639
22 HD3 ARG 3 3HD ARG 3 8.175 -2.661 -0.867
23 HE ARG 3 HE ARG 3 10.798 -3.137 -1.568
24 HH11 ARG 3 1HH1 ARG 3 9.078 -2.082 1.269
25 HH12 ARG 3 2HH1 ARG 3 10.226 -2.759 2.376
26 HH21 ARG 3 1HH2 ARG 3 12.316 -4.032 -0.121
27 HH22 ARG 3 2HH2 ARG 3 12.068 -3.867 1.585
28 H GLY 4 H GLY 4 8.551 1.685 -3.605
29 HA2 GLY 4 2HA GLY 4 6.545 3.834 -3.311
30 HA3 GLY 4 3HA GLY 4 8.266 4.137 -3.127
31 H TRP 5 H TRP 5 5.668 3.591 -5.356
32 HA TRP 5 HA TRP 5 7.181 3.308 -7.720
33 HB2 TRP 5 2HB TRP 5 4.452 4.583 -7.572
34 HB3 TRP 5 3HB TRP 5 5.149 3.654 -8.896
35 HD1 TRP 5 HD1 TRP 5 2.372 3.078 -7.100
36 HE1 TRP 5 HE1 TRP 5 2.066 0.676 -6.227
37 HE3 TRP 5 HE3 TRP 5 7.214 1.470 -7.432
38 HZ2 TRP 5 HZ2 TRP 5 3.666 -1.599 -5.743
39 HZ3 TRP 5 HZ3 TRP 5 7.742 -0.832 -6.744
40 HH2 TRP 5 HH2 TRP 5 6.003 -2.333 -5.916
41 H LYS 6 H LYS 6 8.819 4.813 -7.842
42 HA LYS 6 HA LYS 6 7.982 7.629 -8.085
43 HB2 LYS 6 2HB LYS 6 10.423 8.128 -7.616
44 HB3 LYS 6 3HB LYS 6 9.498 7.478 -6.269
45 HG2 LYS 6 2HG LYS 6 10.629 5.293 -7.672
46 HG3 LYS 6 3HG LYS 6 11.897 6.494 -7.420
47 HD2 LYS 6 2HD LYS 6 10.161 5.991 -5.097
48 HD3 LYS 6 3HD LYS 6 11.172 4.631 -5.591
49 HE2 LYS 6 2HE LYS 6 12.600 7.171 -5.564
50 HE3 LYS 6 3HE LYS 6 11.946 6.733 -3.987
51 HZ1 LYS 6 3HZ LYS 6 13.885 5.607 -3.877
52 HZ2 LYS 6 1HZ LYS 6 14.035 5.443 -5.555
53 HZ3 LYS 6 2HZ LYS 6 13.000 4.419 -4.694
54 H ARG 7 H ARG 7 11.116 7.388 -9.020
55 HA ARG 7 HA ARG 7 10.406 7.630 -11.822
56 HB2 ARG 7 2HB ARG 7 13.149 7.818 -10.572
57 HB3 ARG 7 3HB ARG 7 12.660 8.400 -12.158
58 HG2 ARG 7 2HG ARG 7 11.388 10.156 -11.232
59 HG3 ARG 7 3HG ARG 7 11.474 9.461 -9.612
60 HD2 ARG 7 2HD ARG 7 13.731 10.667 -11.204
61 HD3 ARG 7 3HD ARG 7 12.991 11.320 -9.743
62 HE ARG 7 HE ARG 7 13.902 8.871 -8.984
63 HH11 ARG 7 1HH1 ARG 7 15.354 11.654 -10.489
64 HH12 ARG 7 2HH1 ARG 7 16.921 11.369 -9.807
65 HH21 ARG 7 1HH2 ARG 7 15.960 8.485 -8.079
66 HH22 ARG 7 2HH2 ARG 7 17.264 9.565 -8.436
67 H LYS 8 H LYS 8 13.235 6.022 -10.406
68 HA LYS 8 HA LYS 8 13.416 4.108 -12.467
69 HB2 LYS 8 2HB LYS 8 15.035 2.968 -10.937
70 HB3 LYS 8 3HB LYS 8 15.380 4.670 -11.213
71 HG2 LYS 8 2HG LYS 8 13.728 3.979 -8.853
72 HG3 LYS 8 3HG LYS 8 15.446 3.578 -8.800
73 HD2 LYS 8 2HD LYS 8 15.489 6.126 -9.785
74 HD3 LYS 8 3HD LYS 8 14.113 6.185 -8.682
75 HE2 LYS 8 2HE LYS 8 15.625 6.533 -7.074
76 HE3 LYS 8 3HE LYS 8 15.998 4.817 -7.228
77 HZ1 LYS 8 3HZ LYS 8 17.498 5.862 -9.178
78 HZ2 LYS 8 1HZ LYS 8 18.058 5.578 -7.607
79 HZ3 LYS 8 2HZ LYS 8 17.538 7.125 -8.053
80 H CYS 9 H CYS 9 11.152 3.390 -12.474
81 HA CYS 9 HA CYS 9 9.680 2.165 -10.598
82 HB2 CYS 9 2HB CYS 9 10.164 1.031 -13.362
83 HB3 CYS 9 3HB CYS 9 8.781 0.674 -12.332
84 HA PRO 10 HA PRO 10 12.688 -0.884 -9.132
85 HB2 PRO 10 2HB PRO 10 11.420 -1.306 -6.769
86 HB3 PRO 10 3HB PRO 10 12.498 0.067 -7.050
87 HG2 PRO 10 2HG PRO 10 9.508 -0.041 -7.129
88 HG3 PRO 10 3HG PRO 10 10.564 1.192 -6.416
89 HD2 PRO 10 2HD PRO 10 9.375 1.510 -8.828
90 HD3 PRO 10 3HD PRO 10 10.965 2.203 -8.449
91 H LEU 11 H LEU 11 9.209 -1.286 -8.420
92 HA LEU 11 HA LEU 11 9.454 -4.114 -9.178
93 HB2 LEU 11 2HB LEU 11 7.364 -2.678 -7.551
94 HB3 LEU 11 3HB LEU 11 7.289 -4.383 -7.989
95 HG LEU 11 HG LEU 11 8.101 -4.536 -5.859
96 HD11 LEU 11 1HD1 LEU 11 10.343 -5.207 -5.949
97 HD12 LEU 11 2HD1 LEU 11 10.732 -4.045 -7.217
98 HD13 LEU 11 3HD1 LEU 11 9.736 -5.452 -7.586
99 HD21 LEU 11 3HD2 LEU 11 9.732 -2.923 -4.888
100 HD22 LEU 11 1HD2 LEU 11 8.186 -2.201 -5.335
101 HD23 LEU 11 2HD2 LEU 11 9.597 -1.969 -6.366
102 H PHE 12 H PHE 12 6.989 -1.537 -9.362
103 HA PHE 12 HA PHE 12 5.593 -2.755 -11.507
104 HB2 PHE 12 2HB PHE 12 4.196 -0.863 -11.489
105 HB3 PHE 12 3HB PHE 12 4.727 -1.022 -9.818
106 HD1 PHE 12 HD2 PHE 12 7.238 0.212 -9.610
107 HD2 PHE 12 HD1 PHE 12 3.974 1.326 -12.105
108 HE1 PHE 12 HE2 PHE 12 8.066 2.528 -9.654
109 HE2 PHE 12 HE1 PHE 12 4.798 3.644 -12.154
110 HZ PHE 12 HZ PHE 12 6.846 4.248 -10.926
111 H GLY 13 H GLY 13 7.561 -3.163 -12.838
112 HA2 GLY 13 2HA GLY 13 8.093 -0.832 -14.575
113 HA3 GLY 13 3HA GLY 13 9.356 -1.968 -14.127
114 H LYS 14 H LYS 14 9.724 -3.652 -15.425
115 HA LYS 14 HA LYS 14 8.723 -3.888 -17.958
116 HB2 LYS 14 2HB LYS 14 9.696 -6.158 -16.213
117 HB3 LYS 14 3HB LYS 14 9.589 -6.188 -17.969
118 HG2 LYS 14 2HG LYS 14 11.373 -4.413 -16.314
119 HG3 LYS 14 3HG LYS 14 11.869 -5.808 -17.276
120 HD2 LYS 14 2HD LYS 14 10.700 -4.468 -19.217
121 HD3 LYS 14 3HD LYS 14 11.016 -3.091 -18.159
122 HE2 LYS 14 2HE LYS 14 12.860 -3.299 -19.663
123 HE3 LYS 14 3HE LYS 14 13.405 -3.809 -18.066
124 HZ1 LYS 14 3HZ LYS 14 12.387 -6.020 -19.510
125 HZ2 LYS 14 1HZ LYS 14 13.936 -5.789 -18.868
126 HZ3 LYS 14 2HZ LYS 14 13.575 -5.236 -20.425
127 H GLY 15 H GLY 15 7.226 -4.868 -15.008
128 HA2 GLY 15 2HA GLY 15 5.555 -6.904 -15.555
129 HA3 GLY 15 3HA GLY 15 5.016 -5.483 -14.672
130 H GLY 16 H GLY 16 5.282 -3.668 -16.914
131 HA2 GLY 16 2HA GLY 16 2.703 -3.955 -18.025
132 HA3 GLY 16 3HA GLY 16 3.929 -2.817 -18.563
133 H1 VAL 1 H VAL 1 11.855 -4.038 -28.294
134 HA VAL 1 HA VAL 1 10.191 -3.485 -26.109
135 HB VAL 1 HB VAL 1 12.293 -1.704 -27.350
136 HG11 VAL 1 1HG1 VAL 1 10.567 -1.426 -24.990
137 HG12 VAL 1 2HG1 VAL 1 12.281 -1.117 -24.704
138 HG13 VAL 1 3HG1 VAL 1 11.410 -0.197 -25.932
139 HG21 VAL 1 3HG2 VAL 1 12.611 -3.500 -24.961
140 HG22 VAL 1 1HG2 VAL 1 12.967 -4.040 -26.602
141 HG23 VAL 1 2HG2 VAL 1 13.864 -2.692 -25.902
142 H ALA 2 H ALA 2 8.782 -1.797 -25.654
143 HA ALA 2 HA ALA 2 7.237 -0.854 -27.867
144 HB1 ALA 2 1HB ALA 2 6.804 -1.234 -25.140
145 HB2 ALA 2 2HB ALA 2 6.644 0.505 -25.394
146 HB3 ALA 2 3HB ALA 2 5.653 -0.618 -26.326
147 H ARG 3 H ARG 3 8.717 1.028 -25.221
148 HA ARG 3 HA ARG 3 9.356 3.115 -27.202
149 HB2 ARG 3 2HB ARG 3 8.604 3.495 -24.297
150 HB3 ARG 3 3HB ARG 3 9.021 4.776 -25.427
151 HG2 ARG 3 2HG ARG 3 7.048 4.485 -26.659
152 HG3 ARG 3 3HG ARG 3 6.724 2.914 -25.923
153 HD2 ARG 3 2HD ARG 3 6.107 3.883 -23.872
154 HD3 ARG 3 3HD ARG 3 6.817 5.439 -24.301
155 HE ARG 3 HE ARG 3 4.890 5.130 -26.161
156 HH11 ARG 3 1HH1 ARG 3 4.893 4.878 -22.688
157 HH12 ARG 3 2HH1 ARG 3 3.246 5.388 -22.520
158 HH21 ARG 3 1HH2 ARG 3 2.720 5.802 -25.952
159 HH22 ARG 3 2HH2 ARG 3 2.011 5.912 -24.377
160 H GLY 4 H GLY 4 10.422 4.148 -24.290
161 HA2 GLY 4 2HA GLY 4 13.046 2.825 -24.569
162 HA3 GLY 4 3HA GLY 4 12.923 4.572 -24.427
163 H TRP 5 H TRP 5 12.361 1.523 -22.750
164 HA TRP 5 HA TRP 5 11.539 2.450 -20.281
165 HB2 TRP 5 2HB TRP 5 13.491 0.174 -20.561
166 HB3 TRP 5 3HB TRP 5 12.184 0.360 -19.394
167 HD1 TRP 5 HD1 TRP 5 12.729 -2.054 -21.676
168 HE1 TRP 5 HE1 TRP 5 10.695 -2.745 -23.093
169 HE3 TRP 5 HE3 TRP 5 9.808 2.081 -20.970
170 HZ2 TRP 5 HZ2 TRP 5 8.184 -1.677 -23.817
171 HZ3 TRP 5 HZ3 TRP 5 7.604 2.168 -22.060
172 HH2 TRP 5 HH2 TRP 5 6.811 0.327 -23.454
173 H LYS 6 H LYS 6 12.488 4.240 -19.448
174 HA LYS 6 HA LYS 6 15.373 4.067 -18.865
175 HB2 LYS 6 2HB LYS 6 13.715 6.536 -19.413
176 HB3 LYS 6 3HB LYS 6 15.403 6.548 -18.918
177 HG2 LYS 6 2HG LYS 6 16.129 6.119 -20.982
178 HG3 LYS 6 3HG LYS 6 14.896 4.887 -21.261
179 HD2 LYS 6 2HD LYS 6 14.388 6.555 -22.816
180 HD3 LYS 6 3HD LYS 6 13.265 6.860 -21.489
181 HE2 LYS 6 2HE LYS 6 14.484 8.710 -20.734
182 HE3 LYS 6 3HE LYS 6 15.925 8.240 -21.635
183 HZ1 LYS 6 3HZ LYS 6 13.462 9.517 -22.618
184 HZ2 LYS 6 1HZ LYS 6 14.409 8.596 -23.675
185 HZ3 LYS 6 2HZ LYS 6 15.074 9.945 -22.901
186 H ARG 7 H ARG 7 14.080 6.814 -17.545
187 HA ARG 7 HA ARG 7 14.173 5.685 -14.880
188 HB2 ARG 7 2HB ARG 7 13.522 8.259 -14.445
189 HB3 ARG 7 3HB ARG 7 15.172 7.714 -14.712
190 HG2 ARG 7 2HG ARG 7 15.221 8.512 -16.889
191 HG3 ARG 7 3HG ARG 7 13.461 8.562 -17.012
192 HD2 ARG 7 2HD ARG 7 13.939 10.792 -16.753
193 HD3 ARG 7 3HD ARG 7 13.681 10.310 -15.076
194 HE ARG 7 HE ARG 7 16.397 10.007 -15.683
195 HH11 ARG 7 1HH1 ARG 7 14.024 12.523 -15.286
196 HH12 ARG 7 2HH1 ARG 7 15.175 13.706 -14.759
197 HH21 ARG 7 1HH2 ARG 7 17.923 11.556 -14.992
198 HH22 ARG 7 2HH2 ARG 7 17.393 13.155 -14.593
199 H LYS 8 H LYS 8 11.939 8.208 -15.905
200 HA LYS 8 HA LYS 8 9.824 7.218 -14.323
201 HB2 LYS 8 2HB LYS 8 10.096 9.337 -16.411
202 HB3 LYS 8 3HB LYS 8 8.481 8.842 -15.920
203 HG2 LYS 8 2HG LYS 8 8.914 10.634 -14.532
204 HG3 LYS 8 3HG LYS 8 9.334 9.251 -13.519
205 HD2 LYS 8 2HD LYS 8 11.190 10.529 -13.174
206 HD3 LYS 8 3HD LYS 8 11.718 9.658 -14.616
207 HE2 LYS 8 2HE LYS 8 10.272 12.272 -14.843
208 HE3 LYS 8 3HE LYS 8 12.005 12.228 -14.521
209 HZ1 LYS 8 3HZ LYS 8 11.750 10.515 -16.586
210 HZ2 LYS 8 1HZ LYS 8 12.183 12.144 -16.731
211 HZ3 LYS 8 2HZ LYS 8 10.575 11.674 -16.959
212 H CYS 9 H CYS 9 9.793 4.977 -15.048
213 HA CYS 9 HA CYS 9 9.342 3.923 -17.485
214 HB2 CYS 9 2HB CYS 9 7.662 2.344 -16.237
215 HB3 CYS 9 3HB CYS 9 9.366 2.339 -15.797
216 HA PRO 10 HA PRO 10 5.709 6.340 -18.680
217 HB2 PRO 10 2HB PRO 10 5.971 5.814 -21.330
218 HB3 PRO 10 3HB PRO 10 6.908 7.063 -20.502
219 HG2 PRO 10 2HG PRO 10 7.708 4.276 -21.246
220 HG3 PRO 10 3HG PRO 10 8.634 5.781 -21.387
221 HD2 PRO 10 2HD PRO 10 9.017 4.019 -19.367
222 HD3 PRO 10 3HD PRO 10 9.232 5.770 -19.161
223 H LEU 11 H LEU 11 6.500 3.233 -20.256
224 HA LEU 11 HA LEU 11 3.651 2.542 -20.209
225 HB2 LEU 11 2HB LEU 11 5.118 2.421 -22.313
226 HB3 LEU 11 3HB LEU 11 5.812 0.977 -21.580
227 HG LEU 11 HG LEU 11 4.045 0.523 -23.271
228 HD11 LEU 11 1HD1 LEU 11 2.790 -0.516 -20.853
229 HD12 LEU 11 2HD1 LEU 11 4.541 -0.725 -20.884
230 HD13 LEU 11 3HD1 LEU 11 3.553 -1.370 -22.195
231 HD21 LEU 11 3HD2 LEU 11 2.696 2.578 -22.100
232 HD22 LEU 11 1HD2 LEU 11 1.880 1.175 -21.410
233 HD23 LEU 11 2HD2 LEU 11 1.972 1.369 -23.160
234 H PHE 12 H PHE 12 6.678 0.684 -19.876
235 HA PHE 12 HA PHE 12 5.528 -1.366 -18.338
236 HB2 PHE 12 2HB PHE 12 7.730 -2.194 -18.040
237 HB3 PHE 12 3HB PHE 12 7.726 -1.425 -19.624
238 HD1 PHE 12 HD1 PHE 12 8.217 1.286 -19.306
239 HD2 PHE 12 HD2 PHE 12 9.689 -1.904 -16.903
240 HE1 PHE 12 HE1 PHE 12 10.132 2.678 -18.636
241 HE2 PHE 12 HE2 PHE 12 11.605 -0.517 -16.229
242 HZ PHE 12 HZ PHE 12 11.828 1.778 -17.095
243 H GLY 13 H GLY 13 4.293 -0.092 -16.786
244 HA2 GLY 13 2HA GLY 13 5.963 0.679 -14.475
245 HA3 GLY 13 3HA GLY 13 4.563 1.625 -14.958
246 H LYS 14 H LYS 14 2.651 1.148 -14.075
247 HA LYS 14 HA LYS 14 2.335 -0.476 -11.893
248 HB2 LYS 14 2HB LYS 14 0.323 0.439 -13.943
249 HB3 LYS 14 3HB LYS 14 -0.146 -0.460 -12.506
250 HG2 LYS 14 2HG LYS 14 -0.071 1.365 -11.252
251 HG3 LYS 14 3HG LYS 14 1.554 1.762 -11.816
252 HD2 LYS 14 2HD LYS 14 0.209 2.482 -13.989
253 HD3 LYS 14 3HD LYS 14 -1.089 2.688 -12.810
254 HE2 LYS 14 2HE LYS 14 1.645 3.873 -12.415
255 HE3 LYS 14 3HE LYS 14 0.376 4.716 -13.301
256 HZ1 LYS 14 3HZ LYS 14 0.747 4.907 -10.660
257 HZ2 LYS 14 1HZ LYS 14 -0.417 3.681 -10.718
258 HZ3 LYS 14 2HZ LYS 14 -0.735 5.183 -11.428
259 H GLY 15 H GLY 15 2.443 -1.403 -15.213
260 HA2 GLY 15 2HA GLY 15 1.019 -3.673 -15.487
261 HA3 GLY 15 3HA GLY 15 2.663 -3.537 -16.091
262 H GLY 16 H GLY 16 3.853 -3.313 -13.441
263 HA2 GLY 16 2HA GLY 16 4.270 -6.068 -12.935
264 HA3 GLY 16 3HA GLY 16 4.841 -4.740 -11.936
Start of MODEL 20
1 H1 VAL 1 H VAL 1 0.605 -0.603 0.198
2 HA VAL 1 HA VAL 1 1.252 0.002 -2.314
3 HB VAL 1 HB VAL 1 2.856 1.873 -0.564
4 HG11 VAL 1 1HG1 VAL 1 3.200 0.906 -3.350
5 HG12 VAL 1 2HG1 VAL 1 3.551 2.603 -3.015
6 HG13 VAL 1 3HG1 VAL 1 4.411 1.334 -2.142
7 HG21 VAL 1 3HG2 VAL 1 1.732 3.661 -1.591
8 HG22 VAL 1 1HG2 VAL 1 1.058 2.626 -2.849
9 HG23 VAL 1 2HG2 VAL 1 0.463 2.503 -1.194
10 H ALA 2 H ALA 2 3.002 -1.155 -3.077
11 HA ALA 2 HA ALA 2 4.047 -3.165 -1.389
12 HB1 ALA 2 1HB ALA 2 3.981 -2.622 -4.164
13 HB2 ALA 2 2HB ALA 2 5.664 -2.907 -3.717
14 HB3 ALA 2 3HB ALA 2 4.436 -4.120 -3.351
15 H ARG 3 H ARG 3 6.015 -0.886 -3.287
16 HA ARG 3 HA ARG 3 7.811 -0.650 -0.961
17 HB2 ARG 3 2HB ARG 3 8.636 -0.488 -3.862
18 HB3 ARG 3 3HB ARG 3 9.691 -0.523 -2.456
19 HG2 ARG 3 2HG ARG 3 9.082 -2.801 -1.990
20 HG3 ARG 3 3HG ARG 3 7.879 -2.780 -3.281
21 HD2 ARG 3 2HD ARG 3 9.453 -2.903 -4.937
22 HD3 ARG 3 3HD ARG 3 10.690 -2.103 -3.969
23 HE ARG 3 HE ARG 3 9.948 -4.720 -3.019
24 HH11 ARG 3 1HH1 ARG 3 12.038 -2.904 -5.129
25 HH12 ARG 3 2HH1 ARG 3 13.260 -4.131 -5.189
26 HH21 ARG 3 1HH2 ARG 3 11.549 -6.343 -3.090
27 HH22 ARG 3 2HH2 ARG 3 12.980 -6.087 -4.029
28 H GLY 4 H GLY 4 9.143 1.208 -3.233
29 HA2 GLY 4 2HA GLY 4 7.521 3.578 -2.541
30 HA3 GLY 4 3HA GLY 4 9.276 3.600 -2.449
31 H TRP 5 H TRP 5 6.506 3.626 -4.558
32 HA TRP 5 HA TRP 5 7.817 3.440 -7.031
33 HB2 TRP 5 2HB TRP 5 5.362 5.125 -6.592
34 HB3 TRP 5 3HB TRP 5 5.805 4.177 -8.009
35 HD1 TRP 5 HD1 TRP 5 3.088 3.994 -6.022
36 HE1 TRP 5 HE1 TRP 5 2.396 1.628 -5.281
37 HE3 TRP 5 HE3 TRP 5 7.501 1.557 -6.867
38 HZ2 TRP 5 HZ2 TRP 5 3.567 -0.932 -5.080
39 HZ3 TRP 5 HZ3 TRP 5 7.632 -0.850 -6.374
40 HH2 TRP 5 HH2 TRP 5 5.705 -2.067 -5.498
41 H LYS 6 H LYS 6 9.660 4.674 -7.146
42 HA LYS 6 HA LYS 6 9.282 7.594 -7.022
43 HB2 LYS 6 2HB LYS 6 11.801 5.986 -6.560
44 HB3 LYS 6 3HB LYS 6 11.710 7.743 -6.561
45 HG2 LYS 6 2HG LYS 6 10.915 7.819 -4.475
46 HG3 LYS 6 3HG LYS 6 9.813 6.467 -4.743
47 HD2 LYS 6 2HD LYS 6 11.537 4.877 -4.340
48 HD3 LYS 6 3HD LYS 6 12.783 6.127 -4.370
49 HE2 LYS 6 2HE LYS 6 11.884 7.102 -2.336
50 HE3 LYS 6 3HE LYS 6 10.573 5.923 -2.326
51 HZ1 LYS 6 3HZ LYS 6 13.152 4.691 -2.455
52 HZ2 LYS 6 1HZ LYS 6 11.875 4.409 -1.381
53 HZ3 LYS 6 2HZ LYS 6 12.977 5.655 -1.076
54 H ARG 7 H ARG 7 12.293 6.891 -8.183
55 HA ARG 7 HA ARG 7 11.551 7.669 -10.865
56 HB2 ARG 7 2HB ARG 7 14.197 7.178 -9.507
57 HB3 ARG 7 3HB ARG 7 14.072 7.538 -11.224
58 HG2 ARG 7 2HG ARG 7 12.937 9.333 -9.100
59 HG3 ARG 7 3HG ARG 7 14.588 9.482 -9.706
60 HD2 ARG 7 2HD ARG 7 13.662 9.724 -11.999
61 HD3 ARG 7 3HD ARG 7 12.042 9.717 -11.303
62 HE ARG 7 HE ARG 7 13.325 11.707 -9.965
63 HH11 ARG 7 1HH1 ARG 7 12.788 10.984 -13.328
64 HH12 ARG 7 2HH1 ARG 7 12.787 12.645 -13.819
65 HH21 ARG 7 1HH2 ARG 7 13.325 13.898 -10.600
66 HH22 ARG 7 2HH2 ARG 7 13.093 14.302 -12.267
67 H LYS 8 H LYS 8 14.053 5.308 -10.098
68 HA LYS 8 HA LYS 8 13.441 3.696 -12.340
69 HB2 LYS 8 2HB LYS 8 15.037 2.900 -9.901
70 HB3 LYS 8 3HB LYS 8 15.127 2.181 -11.503
71 HG2 LYS 8 2HG LYS 8 15.638 5.062 -11.452
72 HG3 LYS 8 3HG LYS 8 16.805 4.094 -10.548
73 HD2 LYS 8 2HD LYS 8 16.007 3.244 -13.297
74 HD3 LYS 8 3HD LYS 8 17.164 4.562 -13.098
75 HE2 LYS 8 2HE LYS 8 17.505 1.929 -11.696
76 HE3 LYS 8 3HE LYS 8 18.088 2.186 -13.340
77 HZ1 LYS 8 3HZ LYS 8 19.707 2.591 -11.443
78 HZ2 LYS 8 1HZ LYS 8 18.834 4.007 -11.136
79 HZ3 LYS 8 2HZ LYS 8 19.598 3.792 -12.629
80 H CYS 9 H CYS 9 11.167 3.304 -12.049
81 HA CYS 9 HA CYS 9 9.808 2.192 -10.003
82 HB2 CYS 9 2HB CYS 9 8.602 0.799 -11.862
83 HB3 CYS 9 3HB CYS 9 8.507 2.557 -11.886
84 HA PRO 10 HA PRO 10 12.357 -1.477 -9.313
85 HB2 PRO 10 2HB PRO 10 11.380 -1.945 -6.823
86 HB3 PRO 10 3HB PRO 10 12.641 -0.751 -7.152
87 HG2 PRO 10 2HG PRO 10 9.701 -0.344 -6.763
88 HG3 PRO 10 3HG PRO 10 11.056 0.605 -6.123
89 HD2 PRO 10 2HD PRO 10 9.616 1.390 -8.278
90 HD3 PRO 10 3HD PRO 10 11.344 1.759 -8.098
91 H LEU 11 H LEU 11 8.981 -1.338 -8.147
92 HA LEU 11 HA LEU 11 8.609 -4.100 -9.057
93 HB2 LEU 11 2HB LEU 11 8.037 -3.311 -6.693
94 HB3 LEU 11 3HB LEU 11 6.664 -2.489 -7.432
95 HG LEU 11 HG LEU 11 6.133 -4.695 -6.389
96 HD11 LEU 11 1HD1 LEU 11 5.505 -5.215 -9.185
97 HD12 LEU 11 2HD1 LEU 11 5.178 -3.553 -8.694
98 HD13 LEU 11 3HD1 LEU 11 4.434 -4.893 -7.821
99 HD21 LEU 11 3HD2 LEU 11 7.645 -5.844 -8.728
100 HD22 LEU 11 1HD2 LEU 11 6.822 -6.726 -7.442
101 HD23 LEU 11 2HD2 LEU 11 8.270 -5.787 -7.079
102 H PHE 12 H PHE 12 6.541 -1.196 -8.904
103 HA PHE 12 HA PHE 12 4.847 -2.005 -10.996
104 HB2 PHE 12 2HB PHE 12 3.847 0.128 -10.834
105 HB3 PHE 12 3HB PHE 12 4.421 -0.226 -9.208
106 HD1 PHE 12 HD2 PHE 12 7.054 0.532 -8.960
107 HD2 PHE 12 HD1 PHE 12 4.106 2.305 -11.466
108 HE1 PHE 12 HE2 PHE 12 8.317 2.643 -8.946
109 HE2 PHE 12 HE1 PHE 12 5.365 4.419 -11.457
110 HZ PHE 12 HZ PHE 12 7.473 4.591 -10.195
111 H GLY 13 H GLY 13 6.434 -2.709 -12.587
112 HA2 GLY 13 2HA GLY 13 7.385 -0.441 -14.224
113 HA3 GLY 13 3HA GLY 13 8.359 -1.884 -13.984
114 H LYS 14 H LYS 14 8.158 -3.508 -15.395
115 HA LYS 14 HA LYS 14 6.545 -3.179 -17.712
116 HB2 LYS 14 2HB LYS 14 7.331 -5.708 -17.982
117 HB3 LYS 14 3HB LYS 14 8.421 -4.357 -18.263
118 HG2 LYS 14 2HG LYS 14 8.288 -5.408 -15.503
119 HG3 LYS 14 3HG LYS 14 9.048 -6.436 -16.719
120 HD2 LYS 14 2HD LYS 14 9.800 -3.546 -16.490
121 HD3 LYS 14 3HD LYS 14 10.503 -4.742 -15.399
122 HE2 LYS 14 2HE LYS 14 12.052 -4.819 -17.066
123 HE3 LYS 14 3HE LYS 14 10.922 -6.025 -17.680
124 HZ1 LYS 14 3HZ LYS 14 11.780 -4.088 -19.191
125 HZ2 LYS 14 1HZ LYS 14 10.526 -3.226 -18.451
126 HZ3 LYS 14 2HZ LYS 14 10.186 -4.640 -19.315
127 H GLY 15 H GLY 15 4.608 -2.982 -16.047
128 HA2 GLY 15 2HA GLY 15 3.304 -5.634 -16.000
129 HA3 GLY 15 3HA GLY 15 3.116 -4.477 -14.690
130 H GLY 16 H GLY 16 3.209 -2.516 -17.222
131 HA2 GLY 16 2HA GLY 16 0.504 -1.842 -17.183
132 HA3 GLY 16 3HA GLY 16 1.636 -1.376 -18.444
133 H1 VAL 1 H VAL 1 7.710 -2.368 -28.890
134 HA VAL 1 HA VAL 1 7.501 -2.230 -26.026
135 HB VAL 1 HB VAL 1 9.914 -2.131 -26.183
136 HG11 VAL 1 1HG1 VAL 1 10.219 0.377 -27.567
137 HG12 VAL 1 2HG1 VAL 1 11.003 -1.175 -27.870
138 HG13 VAL 1 3HG1 VAL 1 9.438 -0.818 -28.602
139 HG21 VAL 1 3HG2 VAL 1 10.114 -0.461 -24.685
140 HG22 VAL 1 1HG2 VAL 1 9.402 0.735 -25.769
141 HG23 VAL 1 2HG2 VAL 1 8.362 -0.354 -24.851
142 H ALA 2 H ALA 2 6.477 -0.370 -25.319
143 HA ALA 2 HA ALA 2 4.971 1.049 -27.292
144 HB1 ALA 2 1HB ALA 2 4.648 0.472 -24.607
145 HB2 ALA 2 2HB ALA 2 4.889 2.219 -24.641
146 HB3 ALA 2 3HB ALA 2 3.598 1.489 -25.595
147 H ARG 3 H ARG 3 7.011 2.352 -24.670
148 HA ARG 3 HA ARG 3 7.875 4.467 -26.533
149 HB2 ARG 3 2HB ARG 3 7.406 4.684 -23.553
150 HB3 ARG 3 3HB ARG 3 8.041 5.966 -24.575
151 HG2 ARG 3 2HG ARG 3 5.303 4.727 -24.748
152 HG3 ARG 3 3HG ARG 3 5.700 6.336 -24.140
153 HD2 ARG 3 2HD ARG 3 6.697 6.779 -26.442
154 HD3 ARG 3 3HD ARG 3 5.878 5.305 -26.958
155 HE ARG 3 HE ARG 3 4.043 7.007 -25.664
156 HH11 ARG 3 1HH1 ARG 3 5.867 6.736 -28.617
157 HH12 ARG 3 2HH1 ARG 3 4.724 7.634 -29.559
158 HH21 ARG 3 1HH2 ARG 3 2.530 8.190 -26.894
159 HH22 ARG 3 2HH2 ARG 3 2.826 8.462 -28.578
160 H GLY 4 H GLY 4 9.338 4.960 -23.636
161 HA2 GLY 4 2HA GLY 4 11.643 3.246 -24.318
162 HA3 GLY 4 3HA GLY 4 11.852 4.951 -23.950
163 H TRP 5 H TRP 5 10.905 1.832 -22.622
164 HA TRP 5 HA TRP 5 10.436 2.535 -19.986
165 HB2 TRP 5 2HB TRP 5 11.897 0.022 -20.793
166 HB3 TRP 5 3HB TRP 5 10.814 0.255 -19.423
167 HD1 TRP 5 HD1 TRP 5 10.534 -1.909 -21.934
168 HE1 TRP 5 HE1 TRP 5 8.257 -2.001 -23.130
169 HE3 TRP 5 HE3 TRP 5 8.696 2.650 -20.531
170 HZ2 TRP 5 HZ2 TRP 5 5.982 -0.358 -23.439
171 HZ3 TRP 5 HZ3 TRP 5 6.462 3.315 -21.320
172 HH2 TRP 5 HH2 TRP 5 5.135 1.841 -22.744
173 H LYS 6 H LYS 6 11.763 4.030 -19.072
174 HA LYS 6 HA LYS 6 14.592 3.263 -18.759
175 HB2 LYS 6 2HB LYS 6 15.015 5.746 -18.491
176 HB3 LYS 6 3HB LYS 6 14.586 5.211 -20.111
177 HG2 LYS 6 2HG LYS 6 12.162 5.848 -18.888
178 HG3 LYS 6 3HG LYS 6 13.282 7.125 -18.407
179 HD2 LYS 6 2HD LYS 6 13.367 6.325 -21.248
180 HD3 LYS 6 3HD LYS 6 11.896 7.145 -20.717
181 HE2 LYS 6 2HE LYS 6 13.722 8.743 -19.584
182 HE3 LYS 6 3HE LYS 6 14.666 8.160 -20.954
183 HZ1 LYS 6 3HZ LYS 6 12.429 8.775 -22.199
184 HZ2 LYS 6 1HZ LYS 6 13.657 9.910 -21.939
185 HZ3 LYS 6 2HZ LYS 6 12.309 9.875 -20.919
186 H ARG 7 H ARG 7 14.078 6.018 -17.065
187 HA ARG 7 HA ARG 7 13.991 4.581 -14.548
188 HB2 ARG 7 2HB ARG 7 14.395 7.496 -15.224
189 HB3 ARG 7 3HB ARG 7 14.351 6.881 -13.577
190 HG2 ARG 7 2HG ARG 7 16.495 6.355 -13.689
191 HG3 ARG 7 3HG ARG 7 16.195 5.322 -15.088
192 HD2 ARG 7 2HD ARG 7 16.167 7.577 -16.394
193 HD3 ARG 7 3HD ARG 7 17.038 8.187 -14.988
194 HE ARG 7 HE ARG 7 18.190 5.785 -16.010
195 HH11 ARG 7 1HH1 ARG 7 18.000 9.229 -16.481
196 HH12 ARG 7 2HH1 ARG 7 19.540 9.337 -17.268
197 HH21 ARG 7 1HH2 ARG 7 20.218 5.915 -17.045
198 HH22 ARG 7 2HH2 ARG 7 20.800 7.451 -17.589
199 H LYS 8 H LYS 8 12.447 7.678 -15.311
200 HA LYS 8 HA LYS 8 10.268 7.241 -13.583
201 HB2 LYS 8 2HB LYS 8 9.262 9.219 -14.727
202 HB3 LYS 8 3HB LYS 8 10.903 9.487 -14.155
203 HG2 LYS 8 2HG LYS 8 10.573 8.560 -16.948
204 HG3 LYS 8 3HG LYS 8 10.096 10.218 -16.573
205 HD2 LYS 8 2HD LYS 8 12.494 10.056 -15.304
206 HD3 LYS 8 3HD LYS 8 12.767 8.996 -16.689
207 HE2 LYS 8 2HE LYS 8 13.420 11.115 -17.437
208 HE3 LYS 8 3HE LYS 8 11.803 10.894 -18.103
209 HZ1 LYS 8 3HZ LYS 8 11.459 12.063 -15.625
210 HZ2 LYS 8 1HZ LYS 8 11.253 12.793 -17.136
211 HZ3 LYS 8 2HZ LYS 8 12.742 12.901 -16.342
212 H CYS 9 H CYS 9 9.727 5.037 -14.357
213 HA CYS 9 HA CYS 9 8.806 4.185 -16.725
214 HB2 CYS 9 2HB CYS 9 7.361 3.758 -14.100
215 HB3 CYS 9 3HB CYS 9 7.191 2.758 -15.539
216 HA PRO 10 HA PRO 10 5.746 7.419 -17.557
217 HB2 PRO 10 2HB PRO 10 5.678 6.955 -20.231
218 HB3 PRO 10 3HB PRO 10 6.934 7.928 -19.457
219 HG2 PRO 10 2HG PRO 10 7.023 5.066 -20.327
220 HG3 PRO 10 3HG PRO 10 8.253 6.330 -20.512
221 HD2 PRO 10 2HD PRO 10 8.380 4.447 -18.570
222 HD3 PRO 10 3HD PRO 10 9.001 6.094 -18.344
223 H LEU 11 H LEU 11 5.681 4.301 -19.303
224 HA LEU 11 HA LEU 11 2.769 4.227 -18.914
225 HB2 LEU 11 2HB LEU 11 4.576 2.871 -20.898
226 HB3 LEU 11 3HB LEU 11 2.886 2.422 -20.685
227 HG LEU 11 HG LEU 11 2.319 4.827 -21.253
228 HD11 LEU 11 1HD1 LEU 11 5.245 4.877 -21.521
229 HD12 LEU 11 2HD1 LEU 11 4.109 6.184 -21.191
230 HD13 LEU 11 3HD1 LEU 11 4.350 5.622 -22.845
231 HD21 LEU 11 3HD2 LEU 11 3.405 2.774 -23.106
232 HD22 LEU 11 1HD2 LEU 11 3.021 4.367 -23.758
233 HD23 LEU 11 2HD2 LEU 11 1.768 3.417 -22.960
234 H PHE 12 H PHE 12 5.352 1.788 -19.237
235 HA PHE 12 HA PHE 12 4.013 -0.173 -17.734
236 HB2 PHE 12 2HB PHE 12 5.984 -1.457 -17.898
237 HB3 PHE 12 3HB PHE 12 5.976 -0.467 -19.355
238 HD1 PHE 12 HD1 PHE 12 7.009 2.071 -18.532
239 HD2 PHE 12 HD2 PHE 12 8.157 -1.826 -17.261
240 HE1 PHE 12 HE1 PHE 12 9.250 2.918 -17.969
241 HE2 PHE 12 HE2 PHE 12 10.399 -0.985 -16.696
242 HZ PHE 12 HZ PHE 12 10.948 1.390 -17.048
243 H GLY 13 H GLY 13 3.311 1.202 -15.919
244 HA2 GLY 13 2HA GLY 13 5.402 1.318 -13.833
245 HA3 GLY 13 3HA GLY 13 4.175 2.565 -14.001
246 H LYS 14 H LYS 14 2.291 2.335 -12.948
247 HA LYS 14 HA LYS 14 1.934 0.652 -10.838
248 HB2 LYS 14 2HB LYS 14 -0.279 1.700 -12.613
249 HB3 LYS 14 3HB LYS 14 -0.455 1.163 -10.947
250 HG2 LYS 14 2HG LYS 14 1.128 3.541 -11.900
251 HG3 LYS 14 3HG LYS 14 -0.421 3.575 -11.055
252 HD2 LYS 14 2HD LYS 14 0.704 2.392 -9.147
253 HD3 LYS 14 3HD LYS 14 2.238 2.641 -9.985
254 HE2 LYS 14 2HE LYS 14 2.370 4.637 -9.018
255 HE3 LYS 14 3HE LYS 14 0.971 5.137 -9.966
256 HZ1 LYS 14 3HZ LYS 14 0.745 5.455 -7.522
257 HZ2 LYS 14 1HZ LYS 14 0.763 3.773 -7.341
258 HZ3 LYS 14 2HZ LYS 14 -0.481 4.517 -8.214
259 H GLY 15 H GLY 15 1.340 -0.034 -14.211
260 HA2 GLY 15 2HA GLY 15 -0.337 -2.195 -14.160
261 HA3 GLY 15 3HA GLY 15 1.017 -2.053 -15.271
262 H GLY 16 H GLY 16 2.942 -2.059 -12.989
263 HA2 GLY 16 2HA GLY 16 3.427 -3.750 -11.239
264 HA3 GLY 16 3HA GLY 16 2.760 -4.939 -12.348