Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
19854 | 2esy RC | 6892 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 1H SER 1 -5.261 21.302 18.316
2 2H SER 1 2H SER 1 -5.945 22.730 17.772
3 3H SER 1 3H SER 1 -5.933 21.399 16.813
4 HA SER 1 HA SER 1 -3.487 22.735 17.669
5 1HB SER 1 1HB SER 1 -2.641 21.321 15.667
6 2HB SER 1 2HB SER 1 -3.110 20.429 17.119
7 HG SER 1 HG SER 1 -4.287 20.524 14.618
8 HA PRO 2 HA PRO 2 -4.374 25.144 13.743
9 1HB PRO 2 1HB PRO 2 -1.997 24.891 12.370
10 2HB PRO 2 2HB PRO 2 -2.229 26.071 13.695
11 1HG PRO 2 1HG PRO 2 -0.993 23.301 13.842
12 2HG PRO 2 2HG PRO 2 -0.324 24.844 14.469
13 1HD PRO 2 1HD PRO 2 -1.659 23.138 16.093
14 2HD PRO 2 2HD PRO 2 -1.875 24.900 16.251
15 HA PRO 3 HA PRO 3 -5.263 21.551 11.185
16 1HB PRO 3 1HB PRO 3 -4.998 22.402 8.585
17 2HB PRO 3 2HB PRO 3 -6.338 22.927 9.649
18 1HG PRO 3 1HG PRO 3 -3.735 24.379 9.076
19 2HG PRO 3 2HG PRO 3 -5.402 25.040 9.014
20 1HD PRO 3 1HD PRO 3 -3.821 25.383 11.188
21 2HD PRO 3 2HD PRO 3 -5.570 25.066 11.380
22 H ASP 4 H ASP 4 -4.217 19.993 9.549
23 HA ASP 4 HA ASP 4 -1.298 20.030 9.773
24 1HB ASP 4 1HB ASP 4 -1.434 17.735 10.242
25 2HB ASP 4 2HB ASP 4 -2.669 18.458 11.268
26 H TYR 5 H TYR 5 -0.744 17.931 8.166
27 HA TYR 5 HA TYR 5 -1.740 18.607 5.470
28 1HB TYR 5 1HB TYR 5 0.728 18.531 4.866
29 2HB TYR 5 2HB TYR 5 0.170 19.935 5.747
30 HD1 TYR 5 HD1 TYR 5 1.111 20.531 7.867
31 HD2 TYR 5 HD2 TYR 5 1.995 16.684 6.126
32 HE1 TYR 5 HE1 TYR 5 2.826 20.138 9.614
33 HE2 TYR 5 HE2 TYR 5 3.703 16.281 7.866
34 HH TYR 5 HH TYR 5 4.737 17.118 9.785
35 H SER 6 H SER 6 -2.126 16.154 7.382
36 HA SER 6 HA SER 6 -0.497 14.046 6.466
37 1HB SER 6 1HB SER 6 -3.279 13.870 7.669
38 2HB SER 6 2HB SER 6 -2.039 12.601 7.645
39 HG SER 6 HG SER 6 -2.162 15.024 9.051
40 H ALA 7 H ALA 7 -2.361 15.583 4.348
41 HA ALA 7 HA ALA 7 -3.788 13.399 3.018
42 1HB ALA 7 1HB ALA 7 -3.028 16.204 2.073
43 2HB ALA 7 2HB ALA 7 -4.089 15.071 1.210
44 3HB ALA 7 3HB ALA 7 -4.584 15.722 2.788
45 H ALA 8 H ALA 8 -2.013 11.951 3.122
46 HA ALA 8 HA ALA 8 0.481 11.991 2.459
47 1HB ALA 8 1HB ALA 8 -1.406 9.811 1.495
48 2HB ALA 8 2HB ALA 8 0.346 9.634 1.694
49 3HB ALA 8 3HB ALA 8 -0.677 9.953 3.113
50 HA PRO 9 HA PRO 9 0.696 13.424 -1.808
51 1HB PRO 9 1HB PRO 9 3.444 13.405 -2.130
52 2HB PRO 9 2HB PRO 9 2.537 14.685 -1.269
53 1HG PRO 9 1HG PRO 9 3.997 12.318 -0.090
54 2HG PRO 9 2HG PRO 9 4.016 14.018 0.460
55 1HD PRO 9 1HD PRO 9 2.452 12.099 1.612
56 2HD PRO 9 2HD PRO 9 1.906 13.799 1.480
57 H ARG 10 H ARG 10 1.566 12.536 -3.905
58 HA ARG 10 HA ARG 10 2.431 9.807 -4.004
59 1HB ARG 10 1HB ARG 10 0.458 9.045 -5.373
60 2HB ARG 10 2HB ARG 10 0.170 9.172 -3.653
61 1HG ARG 10 1HG ARG 10 -0.674 11.409 -5.538
62 2HG ARG 10 2HG ARG 10 -1.647 9.954 -5.322
63 1HD ARG 10 1HD ARG 10 -1.762 10.382 -2.863
64 2HD ARG 10 2HD ARG 10 -0.896 11.903 -3.114
65 HE ARG 10 HE ARG 10 -3.220 11.700 -4.791
66 1HH1 ARG 10 1HH1 ARG 10 -2.228 12.442 -1.444
67 2HH1 ARG 10 2HH1 ARG 10 -3.463 13.592 -1.159
68 1HH2 ARG 10 1HH2 ARG 10 -4.982 13.168 -4.378
69 2HH2 ARG 10 2HH2 ARG 10 -5.121 13.940 -2.847
70 H GLY 11 H GLY 11 2.967 9.269 -6.264
71 1HA GLY 11 1HA GLY 11 3.776 9.718 -8.327
72 2HA GLY 11 2HA GLY 11 2.678 11.102 -8.434
73 H ARG 12 H ARG 12 4.641 11.523 -5.722
74 HA ARG 12 HA ARG 12 7.099 12.381 -6.743
75 1HB ARG 12 1HB ARG 12 5.135 14.542 -5.781
76 2HB ARG 12 2HB ARG 12 6.893 14.711 -5.816
77 1HG ARG 12 1HG ARG 12 6.707 14.176 -8.355
78 2HG ARG 12 2HG ARG 12 4.987 14.543 -8.166
79 1HD ARG 12 1HD ARG 12 7.351 16.374 -7.576
80 2HD ARG 12 2HD ARG 12 6.233 16.505 -8.941
81 HE ARG 12 HE ARG 12 4.660 16.610 -6.643
82 1HH1 ARG 12 1HH1 ARG 12 7.214 18.567 -8.115
83 2HH1 ARG 12 2HH1 ARG 12 6.730 20.058 -7.401
84 1HH2 ARG 12 1HH2 ARG 12 3.977 18.616 -5.652
85 2HH2 ARG 12 2HH2 ARG 12 4.824 20.077 -5.970
86 H PHE 13 H PHE 13 8.073 11.477 -5.142
87 HA PHE 13 HA PHE 13 8.441 10.301 -3.125
88 1HB PHE 13 1HB PHE 13 8.565 13.264 -2.552
89 2HB PHE 13 2HB PHE 13 9.399 12.018 -1.619
90 HD1 PHE 13 HD1 PHE 13 9.576 14.239 -4.458
91 HD2 PHE 13 HD2 PHE 13 11.156 10.551 -2.860
92 HE1 PHE 13 HE1 PHE 13 11.496 14.370 -6.029
93 HE2 PHE 13 HE2 PHE 13 13.065 10.697 -4.435
94 HZ PHE 13 HZ PHE 13 13.234 12.598 -6.022
95 H GLY 14 H GLY 14 6.308 9.281 -2.700
96 1HA GLY 14 1HA GLY 14 5.040 10.339 -0.318
97 2HA GLY 14 2HA GLY 14 4.066 10.420 -1.793
98 H ILE 15 H ILE 15 2.766 8.989 -0.243
99 HA ILE 15 HA ILE 15 3.637 6.122 -0.222
100 HB ILE 15 HB ILE 15 2.057 7.739 1.792
101 1HG1 ILE 15 1HG1 ILE 15 4.040 6.504 3.213
102 2HG1 ILE 15 2HG1 ILE 15 4.872 6.696 1.679
103 1HG2 ILE 15 1HG2 ILE 15 1.960 5.636 3.140
104 2HG2 ILE 15 2HG2 ILE 15 0.968 5.604 1.693
105 3HG2 ILE 15 3HG2 ILE 15 2.503 4.737 1.704
106 1HD1 ILE 15 1HD1 ILE 15 5.285 8.575 3.228
107 2HD1 ILE 15 2HD1 ILE 15 4.440 9.161 1.789
108 3HD1 ILE 15 3HD1 ILE 15 3.547 8.919 3.306
109 HA PRO 16 HA PRO 16 -0.244 6.072 -2.605
110 1HB PRO 16 1HB PRO 16 0.441 4.140 -4.425
111 2HB PRO 16 2HB PRO 16 0.968 5.838 -4.608
112 1HG PRO 16 1HG PRO 16 2.528 3.525 -3.429
113 2HG PRO 16 2HG PRO 16 3.071 4.703 -4.665
114 1HD PRO 16 1HD PRO 16 3.679 5.000 -2.022
115 2HD PRO 16 2HD PRO 16 3.333 6.410 -3.054
116 H PHE 17 H PHE 17 -1.243 3.522 -3.163
117 HA PHE 17 HA PHE 17 -1.703 2.323 -0.615
118 1HB PHE 17 1HB PHE 17 -2.952 0.651 -2.027
119 2HB PHE 17 2HB PHE 17 -3.402 2.321 -2.275
120 HD1 PHE 17 HD1 PHE 17 -1.401 -0.496 -3.775
121 HD2 PHE 17 HD2 PHE 17 -3.284 3.342 -4.436
122 HE1 PHE 17 HE1 PHE 17 -0.955 -0.686 -6.190
123 HE2 PHE 17 HE2 PHE 17 -2.836 3.128 -6.865
124 HZ PHE 17 HZ PHE 17 -1.664 1.121 -7.745
125 H PHE 18 H PHE 18 1.233 2.247 -1.521
126 HA PHE 18 HA PHE 18 1.986 -0.238 -2.515
127 1HB PHE 18 1HB PHE 18 4.187 0.257 -2.014
128 2HB PHE 18 2HB PHE 18 3.442 1.814 -2.241
129 HD1 PHE 18 HD1 PHE 18 4.893 -0.516 0.223
130 HD2 PHE 18 HD2 PHE 18 3.457 3.495 -0.464
131 HE1 PHE 18 HE1 PHE 18 6.007 0.238 2.300
132 HE2 PHE 18 HE2 PHE 18 4.673 4.251 1.574
133 HZ PHE 18 HZ PHE 18 5.904 2.628 2.970
134 HA PRO 19 HA PRO 19 2.632 -2.010 1.854
135 1HB PRO 19 1HB PRO 19 0.991 -1.357 3.953
136 2HB PRO 19 2HB PRO 19 2.526 -0.518 3.572
137 1HG PRO 19 1HG PRO 19 -0.284 0.290 2.753
138 2HG PRO 19 2HG PRO 19 0.978 1.305 3.532
139 1HD PRO 19 1HD PRO 19 0.616 1.388 0.895
140 2HD PRO 19 2HD PRO 19 2.265 1.376 1.566
141 H VAL 20 H VAL 20 -0.373 -1.625 0.202
142 HA VAL 20 HA VAL 20 -1.969 -3.679 1.343
143 HB VAL 20 HB VAL 20 -1.573 -2.463 -1.434
144 1HG1 VAL 20 1HG1 VAL 20 -3.617 -3.623 -2.225
145 2HG1 VAL 20 2HG1 VAL 20 -2.198 -4.622 -2.097
146 3HG1 VAL 20 3HG1 VAL 20 -3.443 -4.751 -0.835
147 1HG2 VAL 20 1HG2 VAL 20 -3.808 -1.525 -1.040
148 2HG2 VAL 20 2HG2 VAL 20 -3.947 -2.418 0.489
149 3HG2 VAL 20 3HG2 VAL 20 -2.745 -1.119 0.309
150 H HIS 21 H HIS 21 0.222 -3.890 -1.424
151 HA HIS 21 HA HIS 21 -0.039 -6.618 -1.917
152 1HB HIS 21 1HB HIS 21 2.150 -4.601 -2.303
153 2HB HIS 21 2HB HIS 21 2.168 -6.156 -3.153
154 HD1 HIS 21 HD1 HIS 21 -0.152 -6.245 -5.001
155 HD2 HIS 21 HD2 HIS 21 1.067 -2.602 -3.255
156 HE1 HIS 21 HE1 HIS 21 -1.331 -4.391 -6.284
157 H LEU 22 H LEU 22 2.345 -4.912 0.044
158 HA LEU 22 HA LEU 22 3.841 -7.205 0.884
159 1HB LEU 22 1HB LEU 22 3.561 -4.436 2.137
160 2HB LEU 22 2HB LEU 22 4.702 -5.663 2.627
161 HG LEU 22 HG LEU 22 6.063 -4.371 1.349
162 1HD1 LEU 22 1HD1 LEU 22 6.581 -5.425 -0.769
163 2HD1 LEU 22 2HD1 LEU 22 6.123 -6.680 0.394
164 3HD1 LEU 22 3HD1 LEU 22 4.977 -6.162 -0.870
165 1HD2 LEU 22 1HD2 LEU 22 4.330 -2.798 0.578
166 2HD2 LEU 22 2HD2 LEU 22 5.516 -3.173 -0.674
167 3HD2 LEU 22 3HD2 LEU 22 3.910 -3.908 -0.747
168 H LYS 23 H LYS 23 1.173 -5.341 2.594
169 HA LYS 23 HA LYS 23 1.290 -7.166 4.812
170 1HB LYS 23 1HB LYS 23 0.240 -4.870 4.865
171 2HB LYS 23 2HB LYS 23 -1.137 -5.522 3.951
172 1HG LYS 23 1HG LYS 23 -1.569 -7.152 5.780
173 2HG LYS 23 2HG LYS 23 -0.088 -6.661 6.593
174 1HD LYS 23 1HD LYS 23 -1.839 -5.718 7.808
175 2HD LYS 23 2HD LYS 23 -1.096 -4.371 6.931
176 1HE LYS 23 1HE LYS 23 -2.918 -4.365 5.302
177 2HE LYS 23 2HE LYS 23 -3.564 -5.881 5.951
178 1HZ LYS 23 1HZ LYS 23 -3.482 -3.321 7.432
179 2HZ LYS 23 2HZ LYS 23 -4.818 -3.987 6.744
180 3HZ LYS 23 3HZ LYS 23 -4.085 -4.740 8.002
181 H ARG 24 H ARG 24 -0.246 -7.328 1.651
182 HA ARG 24 HA ARG 24 -1.914 -9.594 2.251
183 1HB ARG 24 1HB ARG 24 -2.436 -8.221 0.376
184 2HB ARG 24 2HB ARG 24 -0.856 -8.420 -0.336
185 1HG ARG 24 1HG ARG 24 -2.241 -11.022 -0.001
186 2HG ARG 24 2HG ARG 24 -3.189 -9.864 -0.908
187 1HD ARG 24 1HD ARG 24 -1.824 -11.191 -2.430
188 2HD ARG 24 2HD ARG 24 -1.398 -9.490 -2.501
189 HE ARG 24 HE ARG 24 0.661 -9.880 -1.479
190 1HH1 ARG 24 1HH1 ARG 24 -1.127 -12.942 -1.583
191 2HH1 ARG 24 2HH1 ARG 24 0.265 -13.948 -1.675
192 1HH2 ARG 24 1HH2 ARG 24 2.545 -11.201 -1.657
193 2HH2 ARG 24 2HH2 ARG 24 2.421 -12.920 -1.685
194 H LEU 25 H LEU 25 1.531 -9.259 1.445
195 HA LEU 25 HA LEU 25 1.973 -12.080 0.976
196 1HB LEU 25 1HB LEU 25 3.508 -10.095 0.398
197 2HB LEU 25 2HB LEU 25 3.999 -10.083 2.083
198 HG LEU 25 HG LEU 25 4.217 -12.578 0.353
199 1HD1 LEU 25 1HD1 LEU 25 6.316 -10.412 0.796
200 2HD1 LEU 25 2HD1 LEU 25 6.569 -11.951 -0.047
201 3HD1 LEU 25 3HD1 LEU 25 5.472 -10.748 -0.732
202 1HD2 LEU 25 1HD2 LEU 25 6.071 -13.138 1.971
203 2HD2 LEU 25 2HD2 LEU 25 5.611 -11.727 2.942
204 3HD2 LEU 25 3HD2 LEU 25 4.494 -13.094 2.732
205 H LEU 26 H LEU 26 2.259 -9.927 3.816
206 HA LEU 26 HA LEU 26 2.978 -11.980 5.649
207 1HB LEU 26 1HB LEU 26 3.263 -9.596 6.140
208 2HB LEU 26 2HB LEU 26 1.511 -9.365 6.159
209 HG LEU 26 HG LEU 26 1.306 -10.817 8.150
210 1HD1 LEU 26 1HD1 LEU 26 3.366 -11.492 9.401
211 2HD1 LEU 26 2HD1 LEU 26 3.206 -12.352 7.876
212 3HD1 LEU 26 3HD1 LEU 26 4.358 -11.002 8.013
213 1HD2 LEU 26 1HD2 LEU 26 2.368 -9.289 9.745
214 2HD2 LEU 26 2HD2 LEU 26 3.403 -8.630 8.464
215 3HD2 LEU 26 3HD2 LEU 26 1.640 -8.389 8.407
216 H ILE 27 H ILE 27 -0.292 -10.739 4.815
217 HA ILE 27 HA ILE 27 -1.731 -12.410 6.613
218 HB ILE 27 HB ILE 27 -2.464 -11.063 3.991
219 1HG1 ILE 27 1HG1 ILE 27 -3.431 -10.481 6.831
220 2HG1 ILE 27 2HG1 ILE 27 -1.974 -9.751 6.185
221 1HG2 ILE 27 1HG2 ILE 27 -4.865 -11.534 4.511
222 2HG2 ILE 27 2HG2 ILE 27 -3.968 -13.007 4.182
223 3HG2 ILE 27 3HG2 ILE 27 -4.351 -12.574 5.856
224 1HD1 ILE 27 1HD1 ILE 27 -4.777 -9.374 5.059
225 2HD1 ILE 27 2HD1 ILE 27 -3.805 -8.197 5.947
226 3HD1 ILE 27 3HD1 ILE 27 -3.287 -8.726 4.332
227 H LEU 28 H LEU 28 -0.616 -13.026 3.219
228 HA LEU 28 HA LEU 28 -1.778 -15.653 3.085
229 1HB LEU 28 1HB LEU 28 -0.990 -14.166 1.204
230 2HB LEU 28 2HB LEU 28 0.655 -14.661 1.598
231 HG LEU 28 HG LEU 28 -0.382 -15.866 -0.228
232 1HD1 LEU 28 1HD1 LEU 28 0.425 -18.002 0.208
233 2HD1 LEU 28 2HD1 LEU 28 1.337 -16.959 1.338
234 3HD1 LEU 28 3HD1 LEU 28 -0.019 -17.954 1.904
235 1HD2 LEU 28 1HD2 LEU 28 -2.201 -17.474 0.014
236 2HD2 LEU 28 2HD2 LEU 28 -2.239 -17.261 1.754
237 3HD2 LEU 28 3HD2 LEU 28 -2.769 -15.935 0.709
238 H LEU 29 H LEU 29 1.481 -14.595 3.988
239 HA LEU 29 HA LEU 29 2.581 -17.095 4.649
240 1HB LEU 29 1HB LEU 29 3.791 -14.960 4.628
241 2HB LEU 29 2HB LEU 29 3.011 -14.455 6.122
242 HG LEU 29 HG LEU 29 4.632 -17.027 6.007
243 1HD1 LEU 29 1HD1 LEU 29 5.699 -14.212 6.503
244 2HD1 LEU 29 2HD1 LEU 29 6.611 -15.724 6.706
245 3HD1 LEU 29 3HD1 LEU 29 6.064 -15.243 5.098
246 1HD2 LEU 29 1HD2 LEU 29 4.004 -15.053 8.267
247 2HD2 LEU 29 2HD2 LEU 29 3.394 -16.715 8.118
248 3HD2 LEU 29 3HD2 LEU 29 5.099 -16.444 8.408
249 H LEU 30 H LEU 30 0.621 -14.971 6.788
250 HA LEU 30 HA LEU 30 0.457 -16.771 8.980
251 1HB LEU 30 1HB LEU 30 -0.117 -14.356 9.026
252 2HB LEU 30 2HB LEU 30 -1.534 -14.689 8.047
253 HG LEU 30 HG LEU 30 -2.504 -16.091 9.843
254 1HD1 LEU 30 1HD1 LEU 30 -0.500 -16.907 10.991
255 2HD1 LEU 30 2HD1 LEU 30 -0.035 -15.249 11.439
256 3HD1 LEU 30 3HD1 LEU 30 -1.491 -16.003 12.130
257 1HD2 LEU 30 1HD2 LEU 30 -3.021 -14.253 11.382
258 2HD2 LEU 30 2HD2 LEU 30 -1.639 -13.319 10.765
259 3HD2 LEU 30 3HD2 LEU 30 -3.022 -13.689 9.705
260 H LEU 31 H LEU 31 -1.628 -16.382 6.145
261 HA LEU 31 HA LEU 31 -3.548 -18.407 6.772
262 1HB LEU 31 1HB LEU 31 -3.778 -16.534 5.131
263 2HB LEU 31 2HB LEU 31 -2.781 -17.453 4.015
264 HG LEU 31 HG LEU 31 -5.013 -19.064 5.114
265 1HD1 LEU 31 1HD1 LEU 31 -6.819 -17.917 3.918
266 2HD1 LEU 31 2HD1 LEU 31 -6.149 -16.900 5.200
267 3HD1 LEU 31 3HD1 LEU 31 -5.718 -16.580 3.503
268 1HD2 LEU 31 1HD2 LEU 31 -3.663 -19.673 3.082
269 2HD2 LEU 31 2HD2 LEU 31 -5.399 -19.609 2.774
270 3HD2 LEU 31 3HD2 LEU 31 -4.358 -18.273 2.234
271 1HN NH2 32 1HN NH2 32 -0.212 -18.808 5.930
272 2HN NH2 32 2HN NH2 32 -0.341 -20.509 5.526
Start of MODEL 2
1 1H SER 1 1H SER 1 -21.110 8.132 -10.560
2 2H SER 1 2H SER 1 -20.320 7.877 -12.012
3 3H SER 1 3H SER 1 -19.808 7.123 -10.649
4 HA SER 1 HA SER 1 -19.727 10.020 -10.970
5 1HB SER 1 1HB SER 1 -18.150 9.700 -8.957
6 2HB SER 1 2HB SER 1 -19.853 9.330 -8.654
7 HG SER 1 HG SER 1 -17.645 7.657 -8.783
8 HA PRO 2 HA PRO 2 -15.513 8.923 -12.699
9 1HB PRO 2 1HB PRO 2 -13.845 10.515 -11.181
10 2HB PRO 2 2HB PRO 2 -14.754 11.123 -12.600
11 1HG PRO 2 1HG PRO 2 -15.519 11.301 -9.666
12 2HG PRO 2 2HG PRO 2 -15.504 12.617 -10.885
13 1HD PRO 2 1HD PRO 2 -17.793 11.318 -10.263
14 2HD PRO 2 2HD PRO 2 -17.442 11.777 -11.948
15 HA PRO 3 HA PRO 3 -14.389 6.084 -9.394
16 1HB PRO 3 1HB PRO 3 -11.712 5.632 -9.734
17 2HB PRO 3 2HB PRO 3 -12.941 5.064 -10.903
18 1HG PRO 3 1HG PRO 3 -11.270 7.597 -11.053
19 2HG PRO 3 2HG PRO 3 -11.512 6.360 -12.327
20 1HD PRO 3 1HD PRO 3 -12.967 8.657 -12.243
21 2HD PRO 3 2HD PRO 3 -13.713 7.112 -12.753
22 H ASP 4 H ASP 4 -12.848 5.844 -7.451
23 HA ASP 4 HA ASP 4 -12.555 8.353 -6.001
24 1HB ASP 4 1HB ASP 4 -12.384 6.825 -4.114
25 2HB ASP 4 2HB ASP 4 -13.735 6.293 -5.111
26 H TYR 5 H TYR 5 -10.744 7.439 -8.195
27 HA TYR 5 HA TYR 5 -8.340 6.333 -7.543
28 1HB TYR 5 1HB TYR 5 -7.626 6.928 -9.665
29 2HB TYR 5 2HB TYR 5 -9.356 6.753 -9.800
30 HD1 TYR 5 HD1 TYR 5 -6.849 8.482 -11.191
31 HD2 TYR 5 HD2 TYR 5 -10.474 9.410 -9.022
32 HE1 TYR 5 HE1 TYR 5 -6.952 10.706 -12.280
33 HE2 TYR 5 HE2 TYR 5 -10.564 11.594 -10.074
34 HH TYR 5 HH TYR 5 -9.489 13.097 -11.500
35 H SER 6 H SER 6 -8.914 8.716 -5.759
36 HA SER 6 HA SER 6 -7.119 10.836 -5.887
37 1HB SER 6 1HB SER 6 -8.297 9.603 -3.373
38 2HB SER 6 2HB SER 6 -8.022 11.311 -3.738
39 HG SER 6 HG SER 6 -10.084 9.594 -4.481
40 H ALA 7 H ALA 7 -5.577 8.262 -6.147
41 HA ALA 7 HA ALA 7 -4.361 7.511 -3.674
42 1HB ALA 7 1HB ALA 7 -2.704 6.354 -5.114
43 2HB ALA 7 2HB ALA 7 -4.368 6.052 -5.667
44 3HB ALA 7 3HB ALA 7 -3.335 7.216 -6.532
45 H ALA 8 H ALA 8 -2.592 8.217 -2.631
46 HA ALA 8 HA ALA 8 -1.553 10.794 -2.907
47 1HB ALA 8 1HB ALA 8 -0.277 8.317 -1.676
48 2HB ALA 8 2HB ALA 8 0.200 9.978 -1.313
49 3HB ALA 8 3HB ALA 8 -1.411 9.409 -0.849
50 HA PRO 9 HA PRO 9 1.157 10.638 -6.263
51 1HB PRO 9 1HB PRO 9 3.328 12.225 -5.593
52 2HB PRO 9 2HB PRO 9 1.689 12.845 -5.952
53 1HG PRO 9 1HG PRO 9 2.907 12.267 -3.237
54 2HG PRO 9 2HG PRO 9 2.020 13.732 -3.763
55 1HD PRO 9 1HD PRO 9 0.782 11.768 -2.382
56 2HD PRO 9 2HD PRO 9 -0.064 12.597 -3.720
57 H ARG 10 H ARG 10 3.305 10.026 -7.106
58 HA ARG 10 HA ARG 10 4.958 8.382 -5.356
59 1HB ARG 10 1HB ARG 10 4.904 6.444 -7.041
60 2HB ARG 10 2HB ARG 10 3.639 6.638 -5.857
61 1HG ARG 10 1HG ARG 10 2.395 6.003 -7.597
62 2HG ARG 10 2HG ARG 10 2.220 7.729 -7.777
63 1HD ARG 10 1HD ARG 10 4.131 5.936 -9.354
64 2HD ARG 10 2HD ARG 10 2.538 6.487 -9.900
65 HE ARG 10 HE ARG 10 4.257 8.674 -9.139
66 1HH1 ARG 10 1HH1 ARG 10 3.473 6.572 -11.889
67 2HH1 ARG 10 2HH1 ARG 10 4.147 7.630 -13.069
68 1HH2 ARG 10 1HH2 ARG 10 5.175 10.026 -10.610
69 2HH2 ARG 10 2HH2 ARG 10 5.137 9.710 -12.315
70 H GLY 11 H GLY 11 7.092 8.193 -6.120
71 1HA GLY 11 1HA GLY 11 8.940 8.834 -7.326
72 2HA GLY 11 2HA GLY 11 7.909 9.408 -8.647
73 H ARG 12 H ARG 12 6.784 10.760 -5.779
74 HA ARG 12 HA ARG 12 8.669 12.866 -5.314
75 1HB ARG 12 1HB ARG 12 5.995 13.517 -6.659
76 2HB ARG 12 2HB ARG 12 6.833 14.633 -5.579
77 1HG ARG 12 1HG ARG 12 8.885 14.379 -7.102
78 2HG ARG 12 2HG ARG 12 7.783 13.625 -8.276
79 1HD ARG 12 1HD ARG 12 6.401 15.647 -8.333
80 2HD ARG 12 2HD ARG 12 7.359 16.374 -7.026
81 HE ARG 12 HE ARG 12 9.055 15.661 -9.201
82 1HH1 ARG 12 1HH1 ARG 12 6.667 18.122 -8.283
83 2HH1 ARG 12 2HH1 ARG 12 7.342 19.376 -9.249
84 1HH2 ARG 12 1HH2 ARG 12 9.990 17.347 -10.510
85 2HH2 ARG 12 2HH2 ARG 12 9.282 18.909 -10.555
86 H PHE 13 H PHE 13 8.660 12.222 -3.269
87 HA PHE 13 HA PHE 13 7.872 11.298 -1.267
88 1HB PHE 13 1HB PHE 13 7.126 14.228 -1.362
89 2HB PHE 13 2HB PHE 13 7.502 13.294 0.083
90 HD1 PHE 13 HD1 PHE 13 8.864 15.390 -2.485
91 HD2 PHE 13 HD2 PHE 13 9.869 12.138 0.174
92 HE1 PHE 13 HE1 PHE 13 11.281 15.870 -2.795
93 HE2 PHE 13 HE2 PHE 13 12.276 12.626 -0.150
94 HZ PHE 13 HZ PHE 13 12.986 14.482 -1.638
95 H GLY 14 H GLY 14 6.091 9.758 -1.895
96 1HA GLY 14 1HA GLY 14 3.790 10.451 -0.369
97 2HA GLY 14 2HA GLY 14 3.411 10.327 -2.091
98 H ILE 15 H ILE 15 2.259 8.583 -0.368
99 HA ILE 15 HA ILE 15 3.498 5.895 -0.789
100 HB ILE 15 HB ILE 15 2.368 7.088 1.761
101 1HG1 ILE 15 1HG1 ILE 15 5.166 6.056 1.119
102 2HG1 ILE 15 2HG1 ILE 15 4.704 7.733 1.384
103 1HG2 ILE 15 1HG2 ILE 15 3.227 4.214 1.245
104 2HG2 ILE 15 2HG2 ILE 15 2.675 4.882 2.793
105 3HG2 ILE 15 3HG2 ILE 15 1.565 4.766 1.446
106 1HD1 ILE 15 1HD1 ILE 15 4.741 5.541 3.475
107 2HD1 ILE 15 2HD1 ILE 15 5.765 6.978 3.366
108 3HD1 ILE 15 3HD1 ILE 15 4.037 7.161 3.729
109 HA PRO 16 HA PRO 16 -0.878 6.008 -2.151
110 1HB PRO 16 1HB PRO 16 -0.609 4.342 -4.330
111 2HB PRO 16 2HB PRO 16 -0.235 6.084 -4.389
112 1HG PRO 16 1HG PRO 16 1.695 3.785 -3.986
113 2HG PRO 16 2HG PRO 16 1.835 5.165 -5.122
114 1HD PRO 16 1HD PRO 16 3.092 5.152 -2.706
115 2HD PRO 16 2HD PRO 16 2.411 6.657 -3.359
116 H PHE 17 H PHE 17 -1.954 3.562 -2.859
117 HA PHE 17 HA PHE 17 -1.996 2.025 -0.501
118 1HB PHE 17 1HB PHE 17 -3.402 0.504 -1.941
119 2HB PHE 17 2HB PHE 17 -3.886 2.184 -1.967
120 HD1 PHE 17 HD1 PHE 17 -4.007 3.418 -4.021
121 HD2 PHE 17 HD2 PHE 17 -2.015 -0.419 -3.937
122 HE1 PHE 17 HE1 PHE 17 -3.780 3.471 -6.483
123 HE2 PHE 17 HE2 PHE 17 -1.799 -0.350 -6.401
124 HZ PHE 17 HZ PHE 17 -2.672 1.596 -7.679
125 H PHE 18 H PHE 18 0.789 2.119 -1.835
126 HA PHE 18 HA PHE 18 1.350 -0.340 -3.110
127 1HB PHE 18 1HB PHE 18 3.608 0.172 -3.038
128 2HB PHE 18 2HB PHE 18 2.829 1.731 -3.044
129 HD1 PHE 18 HD1 PHE 18 3.586 3.392 -1.573
130 HD2 PHE 18 HD2 PHE 18 4.467 -0.748 -0.761
131 HE1 PHE 18 HE1 PHE 18 5.289 4.062 0.100
132 HE2 PHE 18 HE2 PHE 18 6.063 -0.067 0.995
133 HZ PHE 18 HZ PHE 18 6.490 2.344 1.421
134 HA PRO 19 HA PRO 19 2.692 -2.156 1.064
135 1HB PRO 19 1HB PRO 19 1.485 -1.476 3.429
136 2HB PRO 19 2HB PRO 19 2.950 -0.680 2.774
137 1HG PRO 19 1HG PRO 19 0.065 0.223 2.509
138 2HG PRO 19 2HG PRO 19 1.487 1.192 3.023
139 1HD PRO 19 1HD PRO 19 0.584 1.273 0.515
140 2HD PRO 19 2HD PRO 19 2.337 1.273 0.829
141 H VAL 20 H VAL 20 -0.548 -1.699 -0.059
142 HA VAL 20 HA VAL 20 -1.959 -3.720 1.366
143 HB VAL 20 HB VAL 20 -2.058 -2.581 -1.458
144 1HG1 VAL 20 1HG1 VAL 20 -2.809 -4.813 -1.837
145 2HG1 VAL 20 2HG1 VAL 20 -3.892 -4.746 -0.434
146 3HG1 VAL 20 3HG1 VAL 20 -4.178 -3.724 -1.877
147 1HG2 VAL 20 1HG2 VAL 20 -4.023 -2.420 0.875
148 2HG2 VAL 20 2HG2 VAL 20 -2.861 -1.153 0.419
149 3HG2 VAL 20 3HG2 VAL 20 -4.171 -1.585 -0.685
150 H HIS 21 H HIS 21 -0.108 -3.925 -1.679
151 HA HIS 21 HA HIS 21 -0.498 -6.696 -2.094
152 1HB HIS 21 1HB HIS 21 1.394 -4.544 -2.978
153 2HB HIS 21 2HB HIS 21 1.719 -6.206 -3.490
154 HD1 HIS 21 HD1 HIS 21 -1.999 -5.264 -3.538
155 HD2 HIS 21 HD2 HIS 21 1.433 -5.045 -5.991
156 HE1 HIS 21 HE1 HIS 21 -2.809 -4.760 -5.889
157 H LEU 22 H LEU 22 1.977 -4.968 -0.301
158 HA LEU 22 HA LEU 22 3.633 -7.298 0.234
159 1HB LEU 22 1HB LEU 22 3.560 -4.481 1.416
160 2HB LEU 22 2HB LEU 22 4.710 -5.708 1.873
161 HG LEU 22 HG LEU 22 5.947 -4.482 0.401
162 1HD1 LEU 22 1HD1 LEU 22 5.955 -6.894 -0.291
163 2HD1 LEU 22 2HD1 LEU 22 4.752 -6.500 -1.548
164 3HD1 LEU 22 3HD1 LEU 22 6.361 -5.768 -1.598
165 1HD2 LEU 22 1HD2 LEU 22 5.246 -3.513 -1.699
166 2HD2 LEU 22 2HD2 LEU 22 3.645 -4.256 -1.580
167 3HD2 LEU 22 3HD2 LEU 22 4.146 -3.014 -0.414
168 H LYS 23 H LYS 23 1.289 -5.378 2.280
169 HA LYS 23 HA LYS 23 1.582 -7.192 4.473
170 1HB LYS 23 1HB LYS 23 0.586 -4.869 4.587
171 2HB LYS 23 2HB LYS 23 -0.883 -5.514 3.829
172 1HG LYS 23 1HG LYS 23 -1.146 -7.106 5.722
173 2HG LYS 23 2HG LYS 23 0.367 -6.530 6.432
174 1HD LYS 23 1HD LYS 23 -0.645 -4.292 6.762
175 2HD LYS 23 2HD LYS 23 -2.163 -4.877 6.032
176 1HE LYS 23 1HE LYS 23 -2.309 -6.642 7.799
177 2HE LYS 23 2HE LYS 23 -0.824 -6.026 8.533
178 1HZ LYS 23 1HZ LYS 23 -3.362 -4.520 8.288
179 2HZ LYS 23 2HZ LYS 23 -2.776 -5.202 9.659
180 3HZ LYS 23 3HZ LYS 23 -1.977 -3.945 8.975
181 H ARG 24 H ARG 24 -0.284 -7.395 1.480
182 HA ARG 24 HA ARG 24 -1.963 -9.579 2.289
183 1HB ARG 24 1HB ARG 24 -2.561 -8.343 0.375
184 2HB ARG 24 2HB ARG 24 -1.001 -8.511 -0.377
185 1HG ARG 24 1HG ARG 24 -3.017 -10.774 -0.011
186 2HG ARG 24 2HG ARG 24 -2.850 -9.780 -1.448
187 1HD ARG 24 1HD ARG 24 -1.041 -11.972 -0.477
188 2HD ARG 24 2HD ARG 24 -1.753 -11.711 -2.062
189 HE ARG 24 HE ARG 24 0.053 -9.570 -1.466
190 1HH1 ARG 24 1HH1 ARG 24 0.172 -13.011 -2.289
191 2HH1 ARG 24 2HH1 ARG 24 1.781 -12.963 -2.903
192 1HH2 ARG 24 1HH2 ARG 24 2.126 -9.461 -2.183
193 2HH2 ARG 24 2HH2 ARG 24 2.930 -10.813 -2.929
194 H LEU 25 H LEU 25 1.429 -9.449 1.209
195 HA LEU 25 HA LEU 25 1.714 -12.300 0.848
196 1HB LEU 25 1HB LEU 25 3.247 -10.406 0.033
197 2HB LEU 25 2HB LEU 25 3.900 -10.323 1.655
198 HG LEU 25 HG LEU 25 3.855 -12.932 0.085
199 1HD1 LEU 25 1HD1 LEU 25 6.048 -10.815 0.084
200 2HD1 LEU 25 2HD1 LEU 25 6.144 -12.421 -0.662
201 3HD1 LEU 25 3HD1 LEU 25 5.000 -11.232 -1.291
202 1HD2 LEU 25 1HD2 LEU 25 5.624 -11.931 2.376
203 2HD2 LEU 25 2HD2 LEU 25 4.419 -13.234 2.467
204 3HD2 LEU 25 3HD2 LEU 25 5.861 -13.453 1.497
205 H LEU 26 H LEU 26 2.300 -10.012 3.526
206 HA LEU 26 HA LEU 26 3.146 -11.970 5.412
207 1HB LEU 26 1HB LEU 26 3.534 -9.550 5.687
208 2HB LEU 26 2HB LEU 26 1.799 -9.280 5.881
209 HG LEU 26 HG LEU 26 1.803 -10.600 7.981
210 1HD1 LEU 26 1HD1 LEU 26 4.819 -10.804 7.512
211 2HD1 LEU 26 2HD1 LEU 26 3.998 -11.184 9.041
212 3HD1 LEU 26 3HD1 LEU 26 3.661 -12.153 7.612
213 1HD2 LEU 26 1HD2 LEU 26 2.138 -8.162 8.026
214 2HD2 LEU 26 2HD2 LEU 26 3.024 -8.960 9.335
215 3HD2 LEU 26 3HD2 LEU 26 3.899 -8.393 7.899
216 H ILE 27 H ILE 27 -0.148 -10.689 4.779
217 HA ILE 27 HA ILE 27 -1.458 -12.155 6.846
218 HB ILE 27 HB ILE 27 -2.407 -10.975 4.210
219 1HG1 ILE 27 1HG1 ILE 27 -3.054 -10.137 7.075
220 2HG1 ILE 27 2HG1 ILE 27 -1.651 -9.519 6.228
221 1HG2 ILE 27 1HG2 ILE 27 -3.944 -12.841 4.716
222 2HG2 ILE 27 2HG2 ILE 27 -4.146 -12.253 6.374
223 3HG2 ILE 27 3HG2 ILE 27 -4.754 -11.311 4.995
224 1HD1 ILE 27 1HD1 ILE 27 -3.447 -7.913 6.042
225 2HD1 ILE 27 2HD1 ILE 27 -3.118 -8.595 4.436
226 3HD1 ILE 27 3HD1 ILE 27 -4.543 -9.120 5.364
227 H LEU 28 H LEU 28 -0.767 -13.014 3.391
228 HA LEU 28 HA LEU 28 -1.981 -15.607 3.561
229 1HB LEU 28 1HB LEU 28 -1.372 -14.257 1.514
230 2HB LEU 28 2HB LEU 28 0.293 -14.784 1.750
231 HG LEU 28 HG LEU 28 -0.982 -16.061 0.126
232 1HD1 LEU 28 1HD1 LEU 28 -0.185 -18.190 0.603
233 2HD1 LEU 28 2HD1 LEU 28 0.878 -17.111 1.550
234 3HD1 LEU 28 3HD1 LEU 28 -0.428 -18.027 2.334
235 1HD2 LEU 28 1HD2 LEU 28 -2.634 -17.269 2.396
236 2HD2 LEU 28 2HD2 LEU 28 -3.244 -15.994 1.330
237 3HD2 LEU 28 3HD2 LEU 28 -2.802 -17.592 0.680
238 H LEU 29 H LEU 29 1.402 -14.625 4.013
239 HA LEU 29 HA LEU 29 2.463 -17.130 4.697
240 1HB LEU 29 1HB LEU 29 3.848 -15.125 4.443
241 2HB LEU 29 2HB LEU 29 3.123 -14.408 5.882
242 HG LEU 29 HG LEU 29 4.105 -16.185 7.303
243 1HD1 LEU 29 1HD1 LEU 29 4.271 -18.056 5.720
244 2HD1 LEU 29 2HD1 LEU 29 5.420 -17.142 4.711
245 3HD1 LEU 29 3HD1 LEU 29 5.869 -17.672 6.348
246 1HD2 LEU 29 1HD2 LEU 29 5.304 -14.070 6.922
247 2HD2 LEU 29 2HD2 LEU 29 6.431 -15.416 7.126
248 3HD2 LEU 29 3HD2 LEU 29 6.114 -14.769 5.500
249 H LEU 30 H LEU 30 0.840 -14.802 6.908
250 HA LEU 30 HA LEU 30 0.898 -16.451 9.226
251 1HB LEU 30 1HB LEU 30 0.413 -14.015 9.172
252 2HB LEU 30 2HB LEU 30 -1.120 -14.354 8.392
253 HG LEU 30 HG LEU 30 -1.910 -15.600 10.385
254 1HD1 LEU 30 1HD1 LEU 30 0.746 -14.720 11.622
255 2HD1 LEU 30 2HD1 LEU 30 -0.638 -15.383 12.527
256 3HD1 LEU 30 3HD1 LEU 30 0.196 -16.392 11.352
257 1HD2 LEU 30 1HD2 LEU 30 -0.881 -12.793 10.972
258 2HD2 LEU 30 2HD2 LEU 30 -2.390 -13.206 10.119
259 3HD2 LEU 30 3HD2 LEU 30 -2.198 -13.633 11.825
260 H LEU 31 H LEU 31 -1.476 -16.168 6.623
261 HA LEU 31 HA LEU 31 -3.398 -18.044 7.594
262 1HB LEU 31 1HB LEU 31 -3.714 -16.315 5.818
263 2HB LEU 31 2HB LEU 31 -2.872 -17.376 4.700
264 HG LEU 31 HG LEU 31 -5.059 -18.745 6.172
265 1HD1 LEU 31 1HD1 LEU 31 -6.898 -17.645 4.976
266 2HD1 LEU 31 2HD1 LEU 31 -6.076 -16.523 6.069
267 3HD1 LEU 31 3HD1 LEU 31 -5.767 -16.438 4.318
268 1HD2 LEU 31 1HD2 LEU 31 -5.670 -19.547 3.957
269 2HD2 LEU 31 2HD2 LEU 31 -4.614 -18.353 3.172
270 3HD2 LEU 31 3HD2 LEU 31 -3.919 -19.678 4.129
271 1HN NH2 32 1HN NH2 32 -0.186 -18.648 6.390
272 2HN NH2 32 2HN NH2 32 -0.406 -20.377 6.199
Start of MODEL 3
1 1H SER 1 1H SER 1 -5.195 -16.314 -13.323
2 2H SER 1 2H SER 1 -3.603 -16.643 -13.708
3 3H SER 1 3H SER 1 -3.990 -16.079 -12.217
4 HA SER 1 HA SER 1 -4.369 -14.524 -14.657
5 1HB SER 1 1HB SER 1 -4.634 -12.680 -12.904
6 2HB SER 1 2HB SER 1 -5.906 -13.909 -12.875
7 HG SER 1 HG SER 1 -3.859 -13.386 -11.054
8 HA PRO 2 HA PRO 2 -0.030 -13.190 -13.554
9 1HB PRO 2 1HB PRO 2 -0.257 -10.437 -13.538
10 2HB PRO 2 2HB PRO 2 -0.061 -11.400 -15.036
11 1HG PRO 2 1HG PRO 2 -2.633 -10.356 -13.803
12 2HG PRO 2 2HG PRO 2 -2.084 -10.215 -15.507
13 1HD PRO 2 1HD PRO 2 -3.813 -12.153 -14.764
14 2HD PRO 2 2HD PRO 2 -2.514 -12.500 -15.931
15 HA PRO 3 HA PRO 3 -0.801 -12.380 -9.183
16 1HB PRO 3 1HB PRO 3 1.506 -11.216 -8.304
17 2HB PRO 3 2HB PRO 3 1.476 -12.897 -8.915
18 1HG PRO 3 1HG PRO 3 2.204 -10.377 -10.456
19 2HG PRO 3 2HG PRO 3 3.155 -11.895 -10.314
20 1HD PRO 3 1HD PRO 3 1.510 -11.428 -12.430
21 2HD PRO 3 2HD PRO 3 1.677 -13.067 -11.733
22 H ASP 4 H ASP 4 -0.262 -10.241 -7.531
23 HA ASP 4 HA ASP 4 -2.017 -8.188 -8.474
24 1HB ASP 4 1HB ASP 4 -1.584 -7.150 -6.320
25 2HB ASP 4 2HB ASP 4 -2.119 -8.812 -6.142
26 H TYR 5 H TYR 5 -1.421 -6.567 -9.409
27 HA TYR 5 HA TYR 5 0.678 -6.204 -11.004
28 1HB TYR 5 1HB TYR 5 0.029 -3.795 -11.224
29 2HB TYR 5 2HB TYR 5 -1.232 -4.986 -11.445
30 HD1 TYR 5 HD1 TYR 5 -0.080 -2.183 -9.359
31 HD2 TYR 5 HD2 TYR 5 -3.097 -5.227 -9.829
32 HE1 TYR 5 HE1 TYR 5 -1.529 -1.003 -7.723
33 HE2 TYR 5 HE2 TYR 5 -4.539 -4.057 -8.208
34 HH TYR 5 HH TYR 5 -4.764 -2.193 -6.804
35 H SER 6 H SER 6 2.726 -6.562 -10.264
36 HA SER 6 HA SER 6 4.161 -5.411 -8.318
37 1HB SER 6 1HB SER 6 5.292 -5.808 -11.108
38 2HB SER 6 2HB SER 6 6.065 -6.122 -9.543
39 HG SER 6 HG SER 6 5.377 -8.076 -10.425
40 H ALA 7 H ALA 7 2.863 -3.618 -10.932
41 HA ALA 7 HA ALA 7 4.797 -1.432 -11.001
42 1HB ALA 7 1HB ALA 7 1.974 -1.678 -12.133
43 2HB ALA 7 2HB ALA 7 3.152 -0.412 -12.519
44 3HB ALA 7 3HB ALA 7 3.478 -2.087 -12.998
45 H ALA 8 H ALA 8 2.444 -2.313 -8.686
46 HA ALA 8 HA ALA 8 0.897 -0.214 -8.157
47 1HB ALA 8 1HB ALA 8 0.911 -2.301 -6.865
48 2HB ALA 8 2HB ALA 8 2.421 -1.818 -6.061
49 3HB ALA 8 3HB ALA 8 0.928 -0.894 -5.789
50 HA PRO 9 HA PRO 9 3.616 3.234 -7.553
51 1HB PRO 9 1HB PRO 9 1.935 5.078 -6.375
52 2HB PRO 9 2HB PRO 9 1.854 4.622 -8.103
53 1HG PRO 9 1HG PRO 9 0.180 3.538 -5.816
54 2HG PRO 9 2HG PRO 9 -0.375 4.117 -7.420
55 1HD PRO 9 1HD PRO 9 -0.001 1.476 -6.910
56 2HD PRO 9 2HD PRO 9 0.434 2.171 -8.503
57 H ARG 10 H ARG 10 5.122 3.791 -5.937
58 HA ARG 10 HA ARG 10 4.495 3.457 -3.135
59 1HB ARG 10 1HB ARG 10 6.201 1.693 -2.766
60 2HB ARG 10 2HB ARG 10 4.792 1.149 -3.665
61 1HG ARG 10 1HG ARG 10 6.137 1.335 -5.805
62 2HG ARG 10 2HG ARG 10 7.566 1.682 -4.808
63 1HD ARG 10 1HD ARG 10 7.304 -0.456 -3.637
64 2HD ARG 10 2HD ARG 10 5.796 -0.787 -4.488
65 HE ARG 10 HE ARG 10 8.525 -1.090 -5.471
66 1HH1 ARG 10 1HH1 ARG 10 5.129 -0.710 -6.637
67 2HH1 ARG 10 2HH1 ARG 10 5.331 -1.943 -7.831
68 1HH2 ARG 10 1HH2 ARG 10 8.712 -2.581 -7.318
69 2HH2 ARG 10 2HH2 ARG 10 7.287 -2.857 -8.279
70 H GLY 11 H GLY 11 5.836 4.643 -1.992
71 1HA GLY 11 1HA GLY 11 7.206 6.383 -1.465
72 2HA GLY 11 2HA GLY 11 8.432 5.269 -2.053
73 H ARG 12 H ARG 12 6.562 8.038 -2.738
74 HA ARG 12 HA ARG 12 8.585 9.206 -4.451
75 1HB ARG 12 1HB ARG 12 5.914 8.361 -5.672
76 2HB ARG 12 2HB ARG 12 6.789 9.786 -6.239
77 1HG ARG 12 1HG ARG 12 8.827 8.205 -6.523
78 2HG ARG 12 2HG ARG 12 7.641 6.885 -6.418
79 1HD ARG 12 1HD ARG 12 6.442 7.735 -8.351
80 2HD ARG 12 2HD ARG 12 7.425 9.216 -8.361
81 HE ARG 12 HE ARG 12 8.999 6.806 -8.557
82 1HH1 ARG 12 1HH1 ARG 12 7.146 9.137 -10.484
83 2HH1 ARG 12 2HH1 ARG 12 8.052 8.922 -11.932
84 1HH2 ARG 12 1HH2 ARG 12 10.250 6.505 -10.497
85 2HH2 ARG 12 2HH2 ARG 12 9.861 7.363 -11.934
86 H PHE 13 H PHE 13 8.666 10.766 -2.881
87 HA PHE 13 HA PHE 13 8.033 12.219 -1.253
88 1HB PHE 13 1HB PHE 13 6.879 13.231 -3.837
89 2HB PHE 13 2HB PHE 13 7.177 14.259 -2.427
90 HD1 PHE 13 HD1 PHE 13 8.584 12.987 -5.462
91 HD2 PHE 13 HD2 PHE 13 9.629 14.246 -1.467
92 HE1 PHE 13 HE1 PHE 13 10.947 13.293 -6.167
93 HE2 PHE 13 HE2 PHE 13 11.983 14.541 -2.181
94 HZ PHE 13 HZ PHE 13 12.646 14.066 -4.527
95 H GLY 14 H GLY 14 6.168 10.021 -1.093
96 1HA GLY 14 1HA GLY 14 4.134 11.016 0.521
97 2HA GLY 14 2HA GLY 14 3.494 10.888 -1.133
98 H ILE 15 H ILE 15 2.328 9.334 0.643
99 HA ILE 15 HA ILE 15 3.339 6.528 0.369
100 HB ILE 15 HB ILE 15 2.089 7.969 2.725
101 1HG1 ILE 15 1HG1 ILE 15 4.839 6.708 2.343
102 2HG1 ILE 15 2HG1 ILE 15 4.476 8.418 2.520
103 1HG2 ILE 15 1HG2 ILE 15 1.106 5.718 2.513
104 2HG2 ILE 15 2HG2 ILE 15 2.715 4.998 2.466
105 3HG2 ILE 15 3HG2 ILE 15 2.133 5.826 3.924
106 1HD1 ILE 15 1HD1 ILE 15 5.359 7.663 4.591
107 2HD1 ILE 15 2HD1 ILE 15 3.629 7.975 4.839
108 3HD1 ILE 15 3HD1 ILE 15 4.232 6.304 4.679
109 HA PRO 16 HA PRO 16 -0.870 6.753 -1.409
110 1HB PRO 16 1HB PRO 16 -0.476 5.031 -3.508
111 2HB PRO 16 2HB PRO 16 0.042 6.741 -3.575
112 1HG PRO 16 1HG PRO 16 1.715 4.321 -2.850
113 2HG PRO 16 2HG PRO 16 2.104 5.601 -4.045
114 1HD PRO 16 1HD PRO 16 3.085 5.652 -1.516
115 2HD PRO 16 2HD PRO 16 2.596 7.161 -2.318
116 H PHE 17 H PHE 17 -2.002 4.327 -2.101
117 HA PHE 17 HA PHE 17 -2.222 2.865 0.303
118 1HB PHE 17 1HB PHE 17 -3.684 1.411 -1.028
119 2HB PHE 17 2HB PHE 17 -4.006 3.096 -1.364
120 HD1 PHE 17 HD1 PHE 17 -3.644 4.043 -3.598
121 HD2 PHE 17 HD2 PHE 17 -2.548 -0.051 -2.741
122 HE1 PHE 17 HE1 PHE 17 -3.348 3.601 -6.015
123 HE2 PHE 17 HE2 PHE 17 -2.253 -0.474 -5.150
124 HZ PHE 17 HZ PHE 17 -2.656 1.341 -6.799
125 H PHE 18 H PHE 18 0.591 2.822 -0.967
126 HA PHE 18 HA PHE 18 1.176 0.379 -2.162
127 1HB PHE 18 1HB PHE 18 3.420 0.816 -1.921
128 2HB PHE 18 2HB PHE 18 2.684 2.401 -1.949
129 HD1 PHE 18 HD1 PHE 18 3.063 3.990 -0.175
130 HD2 PHE 18 HD2 PHE 18 4.347 -0.106 0.175
131 HE1 PHE 18 HE1 PHE 18 4.705 4.627 1.592
132 HE2 PHE 18 HE2 PHE 18 5.866 0.520 2.029
133 HZ PHE 18 HZ PHE 18 6.060 2.899 2.722
134 HA PRO 19 HA PRO 19 2.188 -1.586 2.098
135 1HB PRO 19 1HB PRO 19 0.528 -1.028 4.253
136 2HB PRO 19 2HB PRO 19 2.133 -0.297 3.948
137 1HG PRO 19 1HG PRO 19 -0.592 0.806 3.208
138 2HG PRO 19 2HG PRO 19 0.769 1.656 4.014
139 1HD PRO 19 1HD PRO 19 0.375 1.957 1.416
140 2HD PRO 19 2HD PRO 19 2.033 1.708 2.012
141 H VAL 20 H VAL 20 -0.914 -1.132 0.591
142 HA VAL 20 HA VAL 20 -2.418 -3.312 1.615
143 HB VAL 20 HB VAL 20 -2.100 -1.928 -1.090
144 1HG1 VAL 20 1HG1 VAL 20 -3.921 -4.287 -0.570
145 2HG1 VAL 20 2HG1 VAL 20 -4.108 -3.117 -1.919
146 3HG1 VAL 20 3HG1 VAL 20 -2.673 -4.107 -1.824
147 1HG2 VAL 20 1HG2 VAL 20 -4.355 -1.088 -0.606
148 2HG2 VAL 20 2HG2 VAL 20 -4.455 -2.095 0.853
149 3HG2 VAL 20 3HG2 VAL 20 -3.302 -0.747 0.770
150 H HIS 21 H HIS 21 -0.173 -3.273 -1.117
151 HA HIS 21 HA HIS 21 -0.300 -5.991 -1.791
152 1HB HIS 21 1HB HIS 21 1.665 -3.735 -2.071
153 2HB HIS 21 2HB HIS 21 1.988 -5.307 -2.833
154 HD1 HIS 21 HD1 HIS 21 0.031 -5.955 -4.768
155 HD2 HIS 21 HD2 HIS 21 0.059 -2.065 -3.139
156 HE1 HIS 21 HE1 HIS 21 -1.444 -4.492 -6.303
157 H LEU 22 H LEU 22 1.861 -4.267 0.440
158 HA LEU 22 HA LEU 22 3.442 -6.642 1.001
159 1HB LEU 22 1HB LEU 22 3.303 -3.939 2.354
160 2HB LEU 22 2HB LEU 22 4.451 -5.206 2.724
161 HG LEU 22 HG LEU 22 5.813 -4.084 1.305
162 1HD1 LEU 22 1HD1 LEU 22 4.173 -5.349 -0.955
163 2HD1 LEU 22 2HD1 LEU 22 5.853 -4.832 -1.016
164 3HD1 LEU 22 3HD1 LEU 22 5.396 -6.204 0.002
165 1HD2 LEU 22 1HD2 LEU 22 3.441 -3.066 -0.297
166 2HD2 LEU 22 2HD2 LEU 22 4.213 -2.221 1.066
167 3HD2 LEU 22 3HD2 LEU 22 5.124 -2.526 -0.421
168 H LYS 23 H LYS 23 0.745 -4.966 2.734
169 HA LYS 23 HA LYS 23 0.895 -6.817 4.951
170 1HB LYS 23 1HB LYS 23 -0.343 -4.596 4.932
171 2HB LYS 23 2HB LYS 23 -1.601 -5.367 3.947
172 1HG LYS 23 1HG LYS 23 -2.026 -7.002 5.775
173 2HG LYS 23 2HG LYS 23 -0.649 -6.363 6.675
174 1HD LYS 23 1HD LYS 23 -2.515 -5.405 7.738
175 2HD LYS 23 2HD LYS 23 -1.835 -4.120 6.752
176 1HE LYS 23 1HE LYS 23 -4.177 -3.967 6.456
177 2HE LYS 23 2HE LYS 23 -3.566 -4.693 4.964
178 1HZ LYS 23 1HZ LYS 23 -4.817 -6.149 7.223
179 2HZ LYS 23 2HZ LYS 23 -5.530 -5.834 5.780
180 3HZ LYS 23 3HZ LYS 23 -4.244 -6.858 5.855
181 H ARG 24 H ARG 24 -0.488 -6.882 1.719
182 HA ARG 24 HA ARG 24 -1.901 -9.376 2.035
183 1HB ARG 24 1HB ARG 24 -2.399 -7.742 0.221
184 2HB ARG 24 2HB ARG 24 -0.814 -8.016 -0.450
185 1HG ARG 24 1HG ARG 24 -1.889 -10.611 -0.395
186 2HG ARG 24 2HG ARG 24 -3.287 -9.611 -0.683
187 1HD ARG 24 1HD ARG 24 -2.263 -10.363 -2.788
188 2HD ARG 24 2HD ARG 24 -2.249 -8.609 -2.649
189 HE ARG 24 HE ARG 24 -0.057 -8.718 -3.118
190 1HH1 ARG 24 1HH1 ARG 24 -0.337 -11.470 -0.861
191 2HH1 ARG 24 2HH1 ARG 24 1.007 -12.293 -1.556
192 1HH2 ARG 24 1HH2 ARG 24 1.385 -9.958 -4.174
193 2HH2 ARG 24 2HH2 ARG 24 2.213 -11.259 -3.390
194 H LEU 25 H LEU 25 1.465 -8.572 1.123
195 HA LEU 25 HA LEU 25 2.285 -11.232 0.538
196 1HB LEU 25 1HB LEU 25 3.511 -9.044 0.136
197 2HB LEU 25 2HB LEU 25 4.003 -9.063 1.823
198 HG LEU 25 HG LEU 25 4.615 -11.342 -0.103
199 1HD1 LEU 25 1HD1 LEU 25 6.843 -10.317 -0.373
200 2HD1 LEU 25 2HD1 LEU 25 5.577 -9.231 -0.957
201 3HD1 LEU 25 3HD1 LEU 25 6.344 -8.933 0.620
202 1HD2 LEU 25 1HD2 LEU 25 4.940 -12.041 2.222
203 2HD2 LEU 25 2HD2 LEU 25 6.515 -11.756 1.512
204 3HD2 LEU 25 3HD2 LEU 25 5.815 -10.540 2.598
205 H LEU 26 H LEU 26 2.354 -9.345 3.577
206 HA LEU 26 HA LEU 26 3.232 -11.397 5.300
207 1HB LEU 26 1HB LEU 26 3.163 -9.050 5.895
208 2HB LEU 26 2HB LEU 26 1.405 -9.029 5.898
209 HG LEU 26 HG LEU 26 2.801 -11.026 7.690
210 1HD1 LEU 26 1HD1 LEU 26 4.071 -8.962 8.068
211 2HD1 LEU 26 2HD1 LEU 26 2.564 -8.051 8.324
212 3HD1 LEU 26 3HD1 LEU 26 3.055 -9.327 9.462
213 1HD2 LEU 26 1HD2 LEU 26 0.311 -9.274 8.050
214 2HD2 LEU 26 2HD2 LEU 26 0.320 -11.016 7.695
215 3HD2 LEU 26 3HD2 LEU 26 0.932 -10.443 9.234
216 H ILE 27 H ILE 27 -0.173 -10.536 4.481
217 HA ILE 27 HA ILE 27 -1.370 -12.567 6.054
218 HB ILE 27 HB ILE 27 -2.264 -11.054 3.584
219 1HG1 ILE 27 1HG1 ILE 27 -3.331 -11.025 6.448
220 2HG1 ILE 27 2HG1 ILE 27 -2.008 -9.995 5.943
221 1HG2 ILE 27 1HG2 ILE 27 -3.932 -13.072 5.154
222 2HG2 ILE 27 2HG2 ILE 27 -4.573 -11.946 3.936
223 3HG2 ILE 27 3HG2 ILE 27 -3.453 -13.208 3.455
224 1HD1 ILE 27 1HD1 ILE 27 -3.459 -8.932 4.223
225 2HD1 ILE 27 2HD1 ILE 27 -4.831 -9.905 4.808
226 3HD1 ILE 27 3HD1 ILE 27 -4.060 -8.735 5.884
227 H LEU 28 H LEU 28 -0.173 -12.715 2.639
228 HA LEU 28 HA LEU 28 -0.851 -15.489 2.278
229 1HB LEU 28 1HB LEU 28 -0.268 -13.780 0.542
230 2HB LEU 28 2HB LEU 28 1.424 -13.989 0.992
231 HG LEU 28 HG LEU 28 0.700 -15.247 -0.951
232 1HD1 LEU 28 1HD1 LEU 28 2.537 -16.065 0.650
233 2HD1 LEU 28 2HD1 LEU 28 1.389 -17.342 1.094
234 3HD1 LEU 28 3HD1 LEU 28 1.902 -17.200 -0.580
235 1HD2 LEU 28 1HD2 LEU 28 -0.918 -17.095 0.868
236 2HD2 LEU 28 2HD2 LEU 28 -1.653 -15.856 -0.151
237 3HD2 LEU 28 3HD2 LEU 28 -0.751 -17.211 -0.876
238 H LEU 29 H LEU 29 2.203 -14.027 3.418
239 HA LEU 29 HA LEU 29 3.547 -16.452 3.943
240 1HB LEU 29 1HB LEU 29 4.622 -14.288 4.034
241 2HB LEU 29 2HB LEU 29 3.695 -13.799 5.444
242 HG LEU 29 HG LEU 29 5.388 -16.296 5.659
243 1HD1 LEU 29 1HD1 LEU 29 7.362 -14.938 6.248
244 2HD1 LEU 29 2HD1 LEU 29 6.886 -14.691 4.566
245 3HD1 LEU 29 3HD1 LEU 29 6.493 -13.457 5.787
246 1HD2 LEU 29 1HD2 LEU 29 5.744 -15.447 7.973
247 2HD2 LEU 29 2HD2 LEU 29 4.781 -14.000 7.601
248 3HD2 LEU 29 3HD2 LEU 29 4.028 -15.605 7.635
249 H LEU 30 H LEU 30 1.170 -14.794 6.021
250 HA LEU 30 HA LEU 30 1.302 -16.694 8.172
251 1HB LEU 30 1HB LEU 30 0.405 -14.388 8.348
252 2HB LEU 30 2HB LEU 30 -0.921 -14.834 7.293
253 HG LEU 30 HG LEU 30 -1.752 -16.474 8.964
254 1HD1 LEU 30 1HD1 LEU 30 0.316 -17.041 10.160
255 2HD1 LEU 30 2HD1 LEU 30 0.493 -15.361 10.718
256 3HD1 LEU 30 3HD1 LEU 30 -0.854 -16.371 11.293
257 1HD2 LEU 30 1HD2 LEU 30 -2.592 -14.807 10.557
258 2HD2 LEU 30 2HD2 LEU 30 -1.340 -13.654 10.041
259 3HD2 LEU 30 3HD2 LEU 30 -2.611 -14.171 8.905
260 H LEU 31 H LEU 31 -0.842 -16.389 5.328
261 HA LEU 31 HA LEU 31 -1.745 -19.160 5.659
262 1HB LEU 31 1HB LEU 31 -3.400 -17.601 6.689
263 2HB LEU 31 2HB LEU 31 -3.506 -16.737 5.152
264 HG LEU 31 HG LEU 31 -4.361 -18.840 4.071
265 1HD1 LEU 31 1HD1 LEU 31 -4.399 -19.901 6.934
266 2HD1 LEU 31 2HD1 LEU 31 -5.223 -20.658 5.554
267 3HD1 LEU 31 3HD1 LEU 31 -3.463 -20.563 5.578
268 1HD2 LEU 31 1HD2 LEU 31 -6.610 -18.710 5.064
269 2HD2 LEU 31 2HD2 LEU 31 -5.948 -17.872 6.485
270 3HD2 LEU 31 3HD2 LEU 31 -5.900 -17.099 4.883
271 1HN NH2 32 1HN NH2 32 -0.081 -19.486 4.088
272 2HN NH2 32 2HN NH2 32 -0.456 -19.201 2.402
Start of MODEL 4
1 1H SER 1 1H SER 1 -20.184 16.535 1.603
2 2H SER 1 2H SER 1 -20.661 17.662 2.709
3 3H SER 1 3H SER 1 -21.292 17.662 1.158
4 HA SER 1 HA SER 1 -19.578 19.384 1.489
5 1HB SER 1 1HB SER 1 -17.206 18.371 1.561
6 2HB SER 1 2HB SER 1 -18.162 18.201 3.039
7 HG SER 1 HG SER 1 -17.315 16.290 1.223
8 HA PRO 2 HA PRO 2 -18.465 18.156 -2.892
9 1HB PRO 2 1HB PRO 2 -15.930 19.201 -3.145
10 2HB PRO 2 2HB PRO 2 -17.405 20.204 -3.288
11 1HG PRO 2 1HG PRO 2 -15.643 19.791 -0.848
12 2HG PRO 2 2HG PRO 2 -16.206 21.343 -1.552
13 1HD PRO 2 1HD PRO 2 -17.493 20.204 0.541
14 2HD PRO 2 2HD PRO 2 -18.407 21.009 -0.761
15 HA PRO 3 HA PRO 3 -15.963 14.587 -1.794
16 1HB PRO 3 1HB PRO 3 -14.347 14.092 -3.964
17 2HB PRO 3 2HB PRO 3 -16.113 13.800 -3.967
18 1HG PRO 3 1HG PRO 3 -14.626 16.236 -4.999
19 2HG PRO 3 2HG PRO 3 -15.892 15.276 -5.834
20 1HD PRO 3 1HD PRO 3 -16.501 17.572 -4.537
21 2HD PRO 3 2HD PRO 3 -17.602 16.166 -4.453
22 H ASP 4 H ASP 4 -13.594 13.825 -1.549
23 HA ASP 4 HA ASP 4 -11.978 16.022 -0.501
24 1HB ASP 4 1HB ASP 4 -11.114 14.327 0.974
25 2HB ASP 4 2HB ASP 4 -12.873 14.183 0.993
26 H TYR 5 H TYR 5 -9.561 14.620 -0.390
27 HA TYR 5 HA TYR 5 -8.765 14.306 -3.210
28 1HB TYR 5 1HB TYR 5 -6.816 15.696 -2.566
29 2HB TYR 5 2HB TYR 5 -8.340 16.546 -2.567
30 HD1 TYR 5 HD1 TYR 5 -9.201 17.578 -0.562
31 HD2 TYR 5 HD2 TYR 5 -5.693 15.070 -0.378
32 HE1 TYR 5 HE1 TYR 5 -8.762 18.373 1.734
33 HE2 TYR 5 HE2 TYR 5 -5.252 15.860 1.931
34 HH TYR 5 HH TYR 5 -7.367 18.200 3.603
35 H SER 6 H SER 6 -9.169 12.218 -0.917
36 HA SER 6 HA SER 6 -6.723 11.350 0.067
37 1HB SER 6 1HB SER 6 -9.210 9.735 -0.578
38 2HB SER 6 2HB SER 6 -7.869 9.191 0.451
39 HG SER 6 HG SER 6 -9.729 11.261 0.838
40 H ALA 7 H ALA 7 -6.943 11.578 -3.133
41 HA ALA 7 HA ALA 7 -5.855 8.967 -3.983
42 1HB ALA 7 1HB ALA 7 -7.250 10.259 -5.561
43 2HB ALA 7 2HB ALA 7 -6.126 11.634 -5.452
44 3HB ALA 7 3HB ALA 7 -5.591 10.098 -6.171
45 H ALA 8 H ALA 8 -4.383 9.176 -2.160
46 HA ALA 8 HA ALA 8 -2.567 10.921 -1.440
47 1HB ALA 8 1HB ALA 8 -2.058 7.928 -1.662
48 2HB ALA 8 2HB ALA 8 -1.198 9.036 -0.580
49 3HB ALA 8 3HB ALA 8 -2.932 8.759 -0.354
50 HA PRO 9 HA PRO 9 0.313 11.876 -4.515
51 1HB PRO 9 1HB PRO 9 2.653 12.432 -3.115
52 2HB PRO 9 2HB PRO 9 1.227 13.505 -3.218
53 1HG PRO 9 1HG PRO 9 1.923 11.546 -1.013
54 2HG PRO 9 2HG PRO 9 1.363 13.241 -0.860
55 1HD PRO 9 1HD PRO 9 -0.339 11.157 -0.582
56 2HD PRO 9 2HD PRO 9 -0.858 12.644 -1.433
57 H ARG 10 H ARG 10 2.004 11.114 -5.797
58 HA ARG 10 HA ARG 10 3.717 9.002 -5.133
59 1HB ARG 10 1HB ARG 10 2.764 7.444 -6.948
60 2HB ARG 10 2HB ARG 10 2.151 7.373 -5.322
61 1HG ARG 10 1HG ARG 10 0.564 7.140 -7.337
62 2HG ARG 10 2HG ARG 10 0.052 7.957 -5.888
63 1HD ARG 10 1HD ARG 10 1.093 9.767 -8.025
64 2HD ARG 10 2HD ARG 10 -0.349 8.841 -8.428
65 HE ARG 10 HE ARG 10 -0.944 9.789 -5.928
66 1HH1 ARG 10 1HH1 ARG 10 0.036 11.436 -8.902
67 2HH1 ARG 10 2HH1 ARG 10 -1.048 12.769 -8.696
68 1HH2 ARG 10 1HH2 ARG 10 -2.430 11.526 -5.650
69 2HH2 ARG 10 2HH2 ARG 10 -2.444 12.839 -6.740
70 H GLY 11 H GLY 11 5.109 8.520 -7.027
71 1HA GLY 11 1HA GLY 11 6.387 9.180 -8.772
72 2HA GLY 11 2HA GLY 11 5.056 10.172 -9.391
73 H ARG 12 H ARG 12 5.581 11.144 -6.260
74 HA ARG 12 HA ARG 12 7.951 12.680 -6.344
75 1HB ARG 12 1HB ARG 12 5.281 14.187 -6.526
76 2HB ARG 12 2HB ARG 12 6.769 14.862 -5.855
77 1HG ARG 12 1HG ARG 12 7.866 14.248 -8.122
78 2HG ARG 12 2HG ARG 12 6.201 14.085 -8.724
79 1HD ARG 12 1HD ARG 12 5.736 16.424 -8.109
80 2HD ARG 12 2HD ARG 12 7.360 16.573 -7.399
81 HE ARG 12 HE ARG 12 7.466 15.685 -10.126
82 1HH1 ARG 12 1HH1 ARG 12 7.087 18.630 -8.178
83 2HH1 ARG 12 2HH1 ARG 12 7.727 19.695 -9.371
84 1HH2 ARG 12 1HH2 ARG 12 8.321 17.102 -11.747
85 2HH2 ARG 12 2HH2 ARG 12 8.438 18.792 -11.465
86 H PHE 13 H PHE 13 8.437 11.939 -4.451
87 HA PHE 13 HA PHE 13 8.208 10.918 -2.344
88 1HB PHE 13 1HB PHE 13 7.832 13.904 -2.033
89 2HB PHE 13 2HB PHE 13 8.459 12.814 -0.797
90 HD1 PHE 13 HD1 PHE 13 9.317 14.921 -3.588
91 HD2 PHE 13 HD2 PHE 13 10.611 11.454 -1.361
92 HE1 PHE 13 HE1 PHE 13 11.605 15.160 -4.526
93 HE2 PHE 13 HE2 PHE 13 12.888 11.705 -2.308
94 HZ PHE 13 HZ PHE 13 13.387 13.550 -3.893
95 H GLY 14 H GLY 14 6.170 9.627 -2.469
96 1HA GLY 14 1HA GLY 14 4.249 10.598 -0.539
97 2HA GLY 14 2HA GLY 14 3.619 10.441 -2.186
98 H ILE 15 H ILE 15 2.488 8.929 -0.293
99 HA ILE 15 HA ILE 15 3.561 6.149 -0.493
100 HB ILE 15 HB ILE 15 2.388 7.678 1.844
101 1HG1 ILE 15 1HG1 ILE 15 4.556 6.311 2.820
102 2HG1 ILE 15 2HG1 ILE 15 5.091 6.564 1.167
103 1HG2 ILE 15 1HG2 ILE 15 2.632 4.670 1.558
104 2HG2 ILE 15 2HG2 ILE 15 2.476 5.511 3.119
105 3HG2 ILE 15 3HG2 ILE 15 1.199 5.623 1.922
106 1HD1 ILE 15 1HD1 ILE 15 4.175 8.729 3.119
107 2HD1 ILE 15 2HD1 ILE 15 5.854 8.345 2.693
108 3HD1 ILE 15 3HD1 ILE 15 4.770 9.027 1.470
109 HA PRO 16 HA PRO 16 -0.671 6.131 -2.181
110 1HB PRO 16 1HB PRO 16 -0.305 4.226 -4.118
111 2HB PRO 16 2HB PRO 16 0.189 5.928 -4.349
112 1HG PRO 16 1HG PRO 16 1.918 3.590 -3.496
113 2HG PRO 16 2HG PRO 16 2.253 4.800 -4.773
114 1HD PRO 16 1HD PRO 16 3.275 5.015 -2.248
115 2HD PRO 16 2HD PRO 16 2.799 6.460 -3.179
116 H PHE 17 H PHE 17 -1.804 3.651 -2.604
117 HA PHE 17 HA PHE 17 -1.909 2.370 -0.076
118 1HB PHE 17 1HB PHE 17 -3.369 0.760 -1.331
119 2HB PHE 17 2HB PHE 17 -3.802 2.441 -1.531
120 HD1 PHE 17 HD1 PHE 17 -3.918 3.453 -3.698
121 HD2 PHE 17 HD2 PHE 17 -2.063 -0.424 -3.241
122 HE1 PHE 17 HE1 PHE 17 -3.760 3.227 -6.159
123 HE2 PHE 17 HE2 PHE 17 -1.901 -0.630 -5.701
124 HZ PHE 17 HZ PHE 17 -2.745 1.192 -7.165
125 H PHE 18 H PHE 18 0.885 2.270 -1.359
126 HA PHE 18 HA PHE 18 1.455 -0.223 -2.488
127 1HB PHE 18 1HB PHE 18 3.712 0.258 -2.295
128 2HB PHE 18 2HB PHE 18 2.960 1.827 -2.391
129 HD1 PHE 18 HD1 PHE 18 4.667 -0.574 -0.175
130 HD2 PHE 18 HD2 PHE 18 3.280 3.484 -0.628
131 HE1 PHE 18 HE1 PHE 18 6.075 0.115 1.740
132 HE2 PHE 18 HE2 PHE 18 4.786 4.174 1.234
133 HZ PHE 18 HZ PHE 18 6.140 2.499 2.437
134 HA PRO 19 HA PRO 19 2.529 -1.977 1.854
135 1HB PRO 19 1HB PRO 19 0.855 -1.361 3.979
136 2HB PRO 19 2HB PRO 19 2.446 -0.612 3.645
137 1HG PRO 19 1HG PRO 19 -0.299 0.406 2.853
138 2HG PRO 19 2HG PRO 19 1.043 1.314 3.630
139 1HD PRO 19 1HD PRO 19 0.668 1.510 1.024
140 2HD PRO 19 2HD PRO 19 2.323 1.292 1.638
141 H VAL 20 H VAL 20 -0.620 -1.598 0.391
142 HA VAL 20 HA VAL 20 -2.047 -3.776 1.508
143 HB VAL 20 HB VAL 20 -1.885 -2.446 -1.230
144 1HG1 VAL 20 1HG1 VAL 20 -3.905 -3.669 -1.947
145 2HG1 VAL 20 2HG1 VAL 20 -2.458 -4.652 -1.881
146 3HG1 VAL 20 3HG1 VAL 20 -3.660 -4.801 -0.580
147 1HG2 VAL 20 1HG2 VAL 20 -4.123 -2.579 0.844
148 2HG2 VAL 20 2HG2 VAL 20 -2.996 -1.220 0.639
149 3HG2 VAL 20 3HG2 VAL 20 -4.129 -1.626 -0.654
150 H HIS 21 H HIS 21 0.172 -3.730 -1.287
151 HA HIS 21 HA HIS 21 -0.048 -6.491 -1.899
152 1HB HIS 21 1HB HIS 21 1.839 -4.218 -2.422
153 2HB HIS 21 2HB HIS 21 2.286 -5.830 -2.994
154 HD1 HIS 21 HD1 HIS 21 -1.378 -5.550 -3.581
155 HD2 HIS 21 HD2 HIS 21 2.169 -3.984 -5.256
156 HE1 HIS 21 HE1 HIS 21 -1.972 -4.715 -5.903
157 H LEU 22 H LEU 22 2.131 -4.751 0.259
158 HA LEU 22 HA LEU 22 3.809 -7.043 0.852
159 1HB LEU 22 1HB LEU 22 3.486 -4.323 2.202
160 2HB LEU 22 2HB LEU 22 4.632 -5.548 2.686
161 HG LEU 22 HG LEU 22 5.955 -4.154 1.449
162 1HD1 LEU 22 1HD1 LEU 22 6.641 -5.280 -0.575
163 2HD1 LEU 22 2HD1 LEU 22 6.160 -6.508 0.608
164 3HD1 LEU 22 3HD1 LEU 22 5.075 -6.085 -0.742
165 1HD2 LEU 22 1HD2 LEU 22 5.439 -3.068 -0.641
166 2HD2 LEU 22 2HD2 LEU 22 3.882 -3.896 -0.767
167 3HD2 LEU 22 3HD2 LEU 22 4.168 -2.719 0.532
168 H LYS 23 H LYS 23 1.156 -5.344 2.703
169 HA LYS 23 HA LYS 23 1.279 -7.250 4.830
170 1HB LYS 23 1HB LYS 23 0.121 -4.971 4.862
171 2HB LYS 23 2HB LYS 23 -1.219 -5.725 3.977
172 1HG LYS 23 1HG LYS 23 -1.478 -7.378 5.848
173 2HG LYS 23 2HG LYS 23 -0.115 -6.622 6.688
174 1HD LYS 23 1HD LYS 23 -1.429 -4.473 6.743
175 2HD LYS 23 2HD LYS 23 -2.815 -5.335 6.067
176 1HE LYS 23 1HE LYS 23 -1.391 -5.988 8.698
177 2HE LYS 23 2HE LYS 23 -2.890 -5.068 8.562
178 1HZ LYS 23 1HZ LYS 23 -3.304 -7.362 9.129
179 2HZ LYS 23 2HZ LYS 23 -3.963 -7.031 7.665
180 3HZ LYS 23 3HZ LYS 23 -2.565 -7.899 7.767
181 H ARG 24 H ARG 24 -0.212 -7.376 1.633
182 HA ARG 24 HA ARG 24 -1.845 -9.691 2.105
183 1HB ARG 24 1HB ARG 24 -2.280 -8.386 0.197
184 2HB ARG 24 2HB ARG 24 -0.631 -8.409 -0.355
185 1HG ARG 24 1HG ARG 24 -2.498 -10.822 -0.369
186 2HG ARG 24 2HG ARG 24 -2.247 -9.725 -1.716
187 1HD ARG 24 1HD ARG 24 -0.392 -11.845 -0.669
188 2HD ARG 24 2HD ARG 24 -0.947 -11.528 -2.307
189 HE ARG 24 HE ARG 24 0.686 -9.373 -1.220
190 1HH1 ARG 24 1HH1 ARG 24 0.938 -12.526 -2.824
191 2HH1 ARG 24 2HH1 ARG 24 2.549 -12.276 -3.377
192 1HH2 ARG 24 1HH2 ARG 24 2.743 -9.029 -1.856
193 2HH2 ARG 24 2HH2 ARG 24 3.633 -10.165 -2.829
194 H LEU 25 H LEU 25 1.652 -9.341 1.463
195 HA LEU 25 HA LEU 25 2.053 -12.157 0.958
196 1HB LEU 25 1HB LEU 25 3.662 -10.254 0.374
197 2HB LEU 25 2HB LEU 25 4.036 -10.128 2.081
198 HG LEU 25 HG LEU 25 4.876 -12.450 2.130
199 1HD1 LEU 25 1HD1 LEU 25 4.317 -12.430 -0.878
200 2HD1 LEU 25 2HD1 LEU 25 5.323 -13.624 -0.033
201 3HD1 LEU 25 3HD1 LEU 25 3.611 -13.531 0.339
202 1HD2 LEU 25 1HD2 LEU 25 6.113 -10.723 -0.065
203 2HD2 LEU 25 2HD2 LEU 25 6.400 -10.562 1.684
204 3HD2 LEU 25 3HD2 LEU 25 6.926 -12.019 0.839
205 H LEU 26 H LEU 26 2.285 -10.015 3.755
206 HA LEU 26 HA LEU 26 3.013 -12.014 5.668
207 1HB LEU 26 1HB LEU 26 3.234 -9.615 6.123
208 2HB LEU 26 2HB LEU 26 1.479 -9.419 6.079
209 HG LEU 26 HG LEU 26 1.242 -10.852 8.088
210 1HD1 LEU 26 1HD1 LEU 26 3.275 -11.423 9.427
211 2HD1 LEU 26 2HD1 LEU 26 3.210 -12.310 7.910
212 3HD1 LEU 26 3HD1 LEU 26 4.302 -10.913 8.069
213 1HD2 LEU 26 1HD2 LEU 26 1.462 -8.408 8.301
214 2HD2 LEU 26 2HD2 LEU 26 2.177 -9.249 9.687
215 3HD2 LEU 26 3HD2 LEU 26 3.229 -8.572 8.429
216 H ILE 27 H ILE 27 -0.251 -10.876 4.679
217 HA ILE 27 HA ILE 27 -1.718 -12.548 6.469
218 HB ILE 27 HB ILE 27 -2.403 -11.256 3.805
219 1HG1 ILE 27 1HG1 ILE 27 -3.470 -10.623 6.594
220 2HG1 ILE 27 2HG1 ILE 27 -1.990 -9.898 6.004
221 1HG2 ILE 27 1HG2 ILE 27 -3.874 -13.221 4.011
222 2HG2 ILE 27 2HG2 ILE 27 -4.297 -12.766 5.667
223 3HG2 ILE 27 3HG2 ILE 27 -4.807 -11.762 4.291
224 1HD1 ILE 27 1HD1 ILE 27 -3.217 -8.925 4.061
225 2HD1 ILE 27 2HD1 ILE 27 -4.736 -9.563 4.731
226 3HD1 ILE 27 3HD1 ILE 27 -3.813 -8.353 5.629
227 H LEU 28 H LEU 28 -0.556 -13.132 3.083
228 HA LEU 28 HA LEU 28 -1.520 -15.817 2.921
229 1HB LEU 28 1HB LEU 28 -0.682 -14.312 1.086
230 2HB LEU 28 2HB LEU 28 0.956 -14.704 1.602
231 HG LEU 28 HG LEU 28 0.142 -15.990 -0.288
232 1HD1 LEU 28 1HD1 LEU 28 0.457 -18.015 1.915
233 2HD1 LEU 28 2HD1 LEU 28 1.035 -18.065 0.256
234 3HD1 LEU 28 3HD1 LEU 28 1.792 -16.950 1.428
235 1HD2 LEU 28 1HD2 LEU 28 -1.795 -17.453 1.569
236 2HD2 LEU 28 2HD2 LEU 28 -2.295 -16.202 0.426
237 3HD2 LEU 28 3HD2 LEU 28 -1.572 -17.721 -0.154
238 H LEU 29 H LEU 29 1.680 -14.646 4.030
239 HA LEU 29 HA LEU 29 2.694 -17.171 4.722
240 1HB LEU 29 1HB LEU 29 4.034 -15.096 4.725
241 2HB LEU 29 2HB LEU 29 3.129 -14.498 6.118
242 HG LEU 29 HG LEU 29 4.040 -16.323 7.530
243 1HD1 LEU 29 1HD1 LEU 29 4.458 -18.076 5.855
244 2HD1 LEU 29 2HD1 LEU 29 5.664 -17.051 5.038
245 3HD1 LEU 29 3HD1 LEU 29 5.960 -17.672 6.679
246 1HD2 LEU 29 1HD2 LEU 29 6.326 -15.453 7.655
247 2HD2 LEU 29 2HD2 LEU 29 6.161 -14.719 6.044
248 3HD2 LEU 29 3HD2 LEU 29 5.168 -14.141 7.405
249 H LEU 30 H LEU 30 0.451 -15.155 6.624
250 HA LEU 30 HA LEU 30 0.415 -16.947 8.901
251 1HB LEU 30 1HB LEU 30 -0.236 -14.554 8.996
252 2HB LEU 30 2HB LEU 30 -1.605 -14.897 7.955
253 HG LEU 30 HG LEU 30 -2.593 -16.392 9.673
254 1HD1 LEU 30 1HD1 LEU 30 -1.680 -16.322 11.999
255 2HD1 LEU 30 2HD1 LEU 30 -0.598 -17.146 10.883
256 3HD1 LEU 30 3HD1 LEU 30 -0.233 -15.481 11.393
257 1HD2 LEU 30 1HD2 LEU 30 -3.212 -14.018 9.562
258 2HD2 LEU 30 2HD2 LEU 30 -3.249 -14.615 11.227
259 3HD2 LEU 30 3HD2 LEU 30 -1.888 -13.607 10.683
260 H LEU 31 H LEU 31 -1.667 -16.512 6.030
261 HA LEU 31 HA LEU 31 -2.855 -19.164 6.433
262 1HB LEU 31 1HB LEU 31 -4.349 -17.460 7.457
263 2HB LEU 31 2HB LEU 31 -4.373 -16.579 5.927
264 HG LEU 31 HG LEU 31 -5.448 -18.566 4.833
265 1HD1 LEU 31 1HD1 LEU 31 -4.711 -20.391 6.305
266 2HD1 LEU 31 2HD1 LEU 31 -5.566 -19.663 7.680
267 3HD1 LEU 31 3HD1 LEU 31 -6.472 -20.312 6.296
268 1HD2 LEU 31 1HD2 LEU 31 -6.910 -17.482 7.277
269 2HD2 LEU 31 2HD2 LEU 31 -6.796 -16.692 5.687
270 3HD2 LEU 31 3HD2 LEU 31 -7.663 -18.226 5.848
271 1HN NH2 32 1HN NH2 32 -1.299 -19.717 4.823
272 2HN NH2 32 2HN NH2 32 -1.682 -19.410 3.143
Start of MODEL 5
1 1H SER 1 1H SER 1 -10.050 26.043 -4.110
2 2H SER 1 2H SER 1 -9.415 26.022 -5.657
3 3H SER 1 3H SER 1 -9.741 24.616 -4.877
4 HA SER 1 HA SER 1 -7.728 26.512 -3.945
5 1HB SER 1 1HB SER 1 -7.078 24.417 -2.598
6 2HB SER 1 2HB SER 1 -8.630 25.147 -2.163
7 HG SER 1 HG SER 1 -8.062 22.738 -3.435
8 HA PRO 2 HA PRO 2 -5.047 23.874 -6.748
9 1HB PRO 2 1HB PRO 2 -2.992 23.168 -5.037
10 2HB PRO 2 2HB PRO 2 -3.071 24.753 -5.866
11 1HG PRO 2 1HG PRO 2 -3.969 24.050 -3.052
12 2HG PRO 2 2HG PRO 2 -2.921 25.412 -3.569
13 1HD PRO 2 1HD PRO 2 -5.564 25.784 -3.143
14 2HD PRO 2 2HD PRO 2 -4.748 26.584 -4.508
15 HA PRO 3 HA PRO 3 -6.474 19.865 -5.313
16 1HB PRO 3 1HB PRO 3 -4.429 18.083 -5.838
17 2HB PRO 3 2HB PRO 3 -5.486 18.786 -7.101
18 1HG PRO 3 1HG PRO 3 -2.739 19.733 -6.220
19 2HG PRO 3 2HG PRO 3 -3.329 19.449 -7.891
20 1HD PRO 3 1HD PRO 3 -3.294 21.929 -6.835
21 2HD PRO 3 2HD PRO 3 -4.679 21.408 -7.836
22 H ASP 4 H ASP 4 -5.936 18.013 -3.638
23 HA ASP 4 HA ASP 4 -4.986 19.363 -1.284
24 1HB ASP 4 1HB ASP 4 -6.234 17.711 -0.150
25 2HB ASP 4 2HB ASP 4 -7.223 18.042 -1.569
26 H TYR 5 H TYR 5 -3.994 18.046 0.188
27 HA TYR 5 HA TYR 5 -2.117 15.899 -0.491
28 1HB TYR 5 1HB TYR 5 -0.572 17.112 1.112
29 2HB TYR 5 2HB TYR 5 -0.728 17.822 -0.488
30 HD1 TYR 5 HD1 TYR 5 -1.683 20.042 -0.784
31 HD2 TYR 5 HD2 TYR 5 -1.654 18.181 3.112
32 HE1 TYR 5 HE1 TYR 5 -2.287 22.202 0.244
33 HE2 TYR 5 HE2 TYR 5 -2.273 20.346 4.150
34 HH TYR 5 HH TYR 5 -2.623 23.356 2.255
35 H SER 6 H SER 6 -4.920 16.526 0.946
36 HA SER 6 HA SER 6 -4.542 15.921 3.737
37 1HB SER 6 1HB SER 6 -7.036 15.510 2.039
38 2HB SER 6 2HB SER 6 -6.942 15.840 3.780
39 HG SER 6 HG SER 6 -7.517 17.699 2.590
40 H ALA 7 H ALA 7 -5.055 14.225 0.757
41 HA ALA 7 HA ALA 7 -5.051 11.550 2.100
42 1HB ALA 7 1HB ALA 7 -6.696 11.728 0.300
43 2HB ALA 7 2HB ALA 7 -5.482 12.361 -0.819
44 3HB ALA 7 3HB ALA 7 -5.364 10.685 -0.243
45 H ALA 8 H ALA 8 -3.118 10.430 2.064
46 HA ALA 8 HA ALA 8 -0.781 11.681 2.218
47 1HB ALA 8 1HB ALA 8 0.344 9.488 1.910
48 2HB ALA 8 2HB ALA 8 -1.131 9.337 2.888
49 3HB ALA 8 3HB ALA 8 -1.130 8.839 1.175
50 HA PRO 9 HA PRO 9 0.529 13.190 -1.665
51 1HB PRO 9 1HB PRO 9 3.331 12.933 -1.468
52 2HB PRO 9 2HB PRO 9 2.330 14.286 -0.867
53 1HG PRO 9 1HG PRO 9 3.371 11.903 0.665
54 2HG PRO 9 2HG PRO 9 3.258 13.608 1.189
55 1HD PRO 9 1HD PRO 9 1.457 11.739 1.969
56 2HD PRO 9 2HD PRO 9 0.930 13.409 1.594
57 H ARG 10 H ARG 10 0.758 12.367 -3.704
58 HA ARG 10 HA ARG 10 1.553 9.528 -3.951
59 1HB ARG 10 1HB ARG 10 -0.452 9.144 -5.347
60 2HB ARG 10 2HB ARG 10 -0.795 9.395 -3.650
61 1HG ARG 10 1HG ARG 10 -1.104 11.650 -5.676
62 2HG ARG 10 2HG ARG 10 -2.340 10.428 -5.438
63 1HD ARG 10 1HD ARG 10 -2.557 11.065 -3.046
64 2HD ARG 10 2HD ARG 10 -1.389 12.377 -3.295
65 HE ARG 10 HE ARG 10 -3.442 12.539 -5.242
66 1HH1 ARG 10 1HH1 ARG 10 -3.095 13.266 -1.670
67 2HH1 ARG 10 2HH1 ARG 10 -4.417 14.364 -1.750
68 1HH2 ARG 10 1HH2 ARG 10 -5.212 14.012 -5.138
69 2HH2 ARG 10 2HH2 ARG 10 -5.578 14.753 -3.622
70 H GLY 11 H GLY 11 2.563 9.026 -5.805
71 1HA GLY 11 1HA GLY 11 3.609 9.220 -7.819
72 2HA GLY 11 2HA GLY 11 2.407 10.444 -8.251
73 H ARG 12 H ARG 12 4.096 11.484 -5.494
74 HA ARG 12 HA ARG 12 6.404 12.650 -6.652
75 1HB ARG 12 1HB ARG 12 4.020 14.447 -5.925
76 2HB ARG 12 2HB ARG 12 5.702 14.989 -6.001
77 1HG ARG 12 1HG ARG 12 5.754 14.130 -8.411
78 2HG ARG 12 2HG ARG 12 3.989 13.966 -8.294
79 1HD ARG 12 1HD ARG 12 3.759 16.363 -7.854
80 2HD ARG 12 2HD ARG 12 5.530 16.549 -7.843
81 HE ARG 12 HE ARG 12 4.651 15.310 -10.258
82 1HH1 ARG 12 1HH1 ARG 12 4.791 18.490 -8.717
83 2HH1 ARG 12 2HH1 ARG 12 4.891 19.393 -10.182
84 1HH2 ARG 12 1HH2 ARG 12 4.781 16.488 -12.259
85 2HH2 ARG 12 2HH2 ARG 12 4.872 18.204 -12.262
86 H PHE 13 H PHE 13 7.511 12.006 -5.070
87 HA PHE 13 HA PHE 13 8.239 11.188 -3.008
88 1HB PHE 13 1HB PHE 13 7.762 14.150 -2.723
89 2HB PHE 13 2HB PHE 13 8.856 13.217 -1.692
90 HD1 PHE 13 HD1 PHE 13 8.587 15.191 -4.661
91 HD2 PHE 13 HD2 PHE 13 10.775 11.891 -2.938
92 HE1 PHE 13 HE1 PHE 13 10.412 15.529 -6.310
93 HE2 PHE 13 HE2 PHE 13 12.587 12.238 -4.592
94 HZ PHE 13 HZ PHE 13 12.409 14.051 -6.280
95 H GLY 14 H GLY 14 6.359 9.788 -2.386
96 1HA GLY 14 1HA GLY 14 5.249 10.582 0.119
97 2HA GLY 14 2HA GLY 14 4.074 10.709 -1.194
98 H ILE 15 H ILE 15 3.049 9.057 0.245
99 HA ILE 15 HA ILE 15 4.118 6.264 0.050
100 HB ILE 15 HB ILE 15 2.540 7.729 2.179
101 1HG1 ILE 15 1HG1 ILE 15 5.253 6.329 2.193
102 2HG1 ILE 15 2HG1 ILE 15 4.977 8.063 2.215
103 1HG2 ILE 15 1HG2 ILE 15 3.009 4.731 1.952
104 2HG2 ILE 15 2HG2 ILE 15 2.449 5.554 3.425
105 3HG2 ILE 15 3HG2 ILE 15 1.464 5.570 1.983
106 1HD1 ILE 15 1HD1 ILE 15 4.354 6.121 4.457
107 2HD1 ILE 15 2HD1 ILE 15 5.534 7.435 4.428
108 3HD1 ILE 15 3HD1 ILE 15 3.801 7.816 4.427
109 HA PRO 16 HA PRO 16 0.217 6.142 -2.303
110 1HB PRO 16 1HB PRO 16 0.925 4.241 -4.139
111 2HB PRO 16 2HB PRO 16 1.472 5.935 -4.290
112 1HG PRO 16 1HG PRO 16 2.990 3.592 -3.101
113 2HG PRO 16 2HG PRO 16 3.562 4.768 -4.327
114 1HD PRO 16 1HD PRO 16 4.118 5.046 -1.666
115 2HD PRO 16 2HD PRO 16 3.826 6.465 -2.714
116 H PHE 17 H PHE 17 -0.749 3.627 -2.912
117 HA PHE 17 HA PHE 17 -1.278 2.330 -0.436
118 1HB PHE 17 1HB PHE 17 -2.457 0.710 -1.961
119 2HB PHE 17 2HB PHE 17 -2.895 2.384 -2.196
120 HD1 PHE 17 HD1 PHE 17 -0.834 -0.412 -3.653
121 HD2 PHE 17 HD2 PHE 17 -2.625 3.470 -4.320
122 HE1 PHE 17 HE1 PHE 17 -0.236 -0.540 -6.037
123 HE2 PHE 17 HE2 PHE 17 -2.022 3.319 -6.719
124 HZ PHE 17 HZ PHE 17 -0.820 1.321 -7.582
125 H PHE 18 H PHE 18 1.703 2.312 -1.183
126 HA PHE 18 HA PHE 18 2.511 -0.135 -2.263
127 1HB PHE 18 1HB PHE 18 4.691 0.340 -1.638
128 2HB PHE 18 2HB PHE 18 3.958 1.912 -1.796
129 HD1 PHE 18 HD1 PHE 18 4.035 3.507 0.031
130 HD2 PHE 18 HD2 PHE 18 5.167 -0.616 0.618
131 HE1 PHE 18 HE1 PHE 18 5.125 4.078 2.201
132 HE2 PHE 18 HE2 PHE 18 6.168 -0.035 2.803
133 HZ PHE 18 HZ PHE 18 6.149 2.321 3.592
134 HA PRO 19 HA PRO 19 2.897 -2.045 2.085
135 1HB PRO 19 1HB PRO 19 1.155 -1.442 4.113
136 2HB PRO 19 2HB PRO 19 2.709 -0.598 3.835
137 1HG PRO 19 1HG PRO 19 -0.052 0.242 2.894
138 2HG PRO 19 2HG PRO 19 1.167 1.230 3.769
139 1HD PRO 19 1HD PRO 19 0.946 1.392 1.125
140 2HD PRO 19 2HD PRO 19 2.559 1.354 1.876
141 H VAL 20 H VAL 20 -0.046 -1.572 0.322
142 HA VAL 20 HA VAL 20 -1.726 -3.615 1.303
143 HB VAL 20 HB VAL 20 -1.122 -2.397 -1.429
144 1HG1 VAL 20 1HG1 VAL 20 -3.132 -3.515 -2.360
145 2HG1 VAL 20 2HG1 VAL 20 -1.740 -4.541 -2.151
146 3HG1 VAL 20 3HG1 VAL 20 -3.066 -4.656 -0.972
147 1HG2 VAL 20 1HG2 VAL 20 -2.387 -1.046 0.243
148 2HG2 VAL 20 2HG2 VAL 20 -3.377 -1.436 -1.168
149 3HG2 VAL 20 3HG2 VAL 20 -3.610 -2.333 0.346
150 H HIS 21 H HIS 21 0.643 -3.864 -1.301
151 HA HIS 21 HA HIS 21 0.356 -6.579 -1.837
152 1HB HIS 21 1HB HIS 21 2.612 -4.606 -2.041
153 2HB HIS 21 2HB HIS 21 2.662 -6.150 -2.904
154 HD1 HIS 21 HD1 HIS 21 0.431 -6.167 -4.890
155 HD2 HIS 21 HD2 HIS 21 1.676 -2.569 -3.066
156 HE1 HIS 21 HE1 HIS 21 -0.602 -4.270 -6.234
157 H LEU 22 H LEU 22 2.594 -4.958 0.321
158 HA LEU 22 HA LEU 22 4.011 -7.280 1.241
159 1HB LEU 22 1HB LEU 22 3.686 -4.501 2.461
160 2HB LEU 22 2HB LEU 22 4.764 -5.738 3.051
161 HG LEU 22 HG LEU 22 6.246 -4.495 1.872
162 1HD1 LEU 22 1HD1 LEU 22 6.322 -6.811 0.927
163 2HD1 LEU 22 2HD1 LEU 22 5.291 -6.265 -0.422
164 3HD1 LEU 22 3HD1 LEU 22 6.901 -5.569 -0.196
165 1HD2 LEU 22 1HD2 LEU 22 4.252 -3.987 -0.369
166 2HD2 LEU 22 2HD2 LEU 22 4.627 -2.881 0.971
167 3HD2 LEU 22 3HD2 LEU 22 5.875 -3.302 -0.202
168 H LYS 23 H LYS 23 1.262 -5.383 2.771
169 HA LYS 23 HA LYS 23 1.173 -7.217 4.977
170 1HB LYS 23 1HB LYS 23 0.129 -4.949 5.055
171 2HB LYS 23 2HB LYS 23 -1.034 -5.450 3.826
172 1HG LYS 23 1HG LYS 23 -2.138 -5.545 5.961
173 2HG LYS 23 2HG LYS 23 -1.918 -7.187 5.394
174 1HD LYS 23 1HD LYS 23 0.341 -6.938 6.923
175 2HD LYS 23 2HD LYS 23 -0.680 -5.772 7.740
176 1HE LYS 23 1HE LYS 23 -1.312 -8.717 7.205
177 2HE LYS 23 2HE LYS 23 -0.768 -8.048 8.744
178 1HZ LYS 23 1HZ LYS 23 -3.136 -8.382 8.729
179 2HZ LYS 23 2HZ LYS 23 -2.816 -6.781 8.867
180 3HZ LYS 23 3HZ LYS 23 -3.336 -7.400 7.430
181 H ARG 24 H ARG 24 -0.133 -7.309 1.705
182 HA ARG 24 HA ARG 24 -1.855 -9.574 2.122
183 1HB ARG 24 1HB ARG 24 -2.265 -8.174 0.270
184 2HB ARG 24 2HB ARG 24 -0.627 -8.272 -0.316
185 1HG ARG 24 1HG ARG 24 -1.918 -10.941 -0.256
186 2HG ARG 24 2HG ARG 24 -2.843 -9.765 -1.165
187 1HD ARG 24 1HD ARG 24 -1.277 -10.945 -2.633
188 2HD ARG 24 2HD ARG 24 -0.966 -9.219 -2.584
189 HE ARG 24 HE ARG 24 1.011 -9.529 -1.352
190 1HH1 ARG 24 1HH1 ARG 24 -0.480 -12.693 -1.955
191 2HH1 ARG 24 2HH1 ARG 24 1.000 -13.571 -1.982
192 1HH2 ARG 24 1HH2 ARG 24 2.997 -10.656 -1.447
193 2HH2 ARG 24 2HH2 ARG 24 3.050 -12.367 -1.668
194 H LEU 25 H LEU 25 1.644 -9.254 1.564
195 HA LEU 25 HA LEU 25 2.106 -12.054 1.038
196 1HB LEU 25 1HB LEU 25 3.696 -10.042 0.698
197 2HB LEU 25 2HB LEU 25 4.049 -10.145 2.414
198 HG LEU 25 HG LEU 25 4.396 -12.510 0.530
199 1HD1 LEU 25 1HD1 LEU 25 5.763 -10.613 -0.272
200 2HD1 LEU 25 2HD1 LEU 25 6.461 -10.423 1.352
201 3HD1 LEU 25 3HD1 LEU 25 6.779 -11.889 0.407
202 1HD2 LEU 25 1HD2 LEU 25 4.438 -13.231 2.866
203 2HD2 LEU 25 2HD2 LEU 25 6.083 -13.228 2.266
204 3HD2 LEU 25 3HD2 LEU 25 5.533 -11.901 3.305
205 H LEU 26 H LEU 26 2.145 -10.020 3.985
206 HA LEU 26 HA LEU 26 2.668 -12.192 5.761
207 1HB LEU 26 1HB LEU 26 3.035 -9.846 6.361
208 2HB LEU 26 2HB LEU 26 1.297 -9.534 6.303
209 HG LEU 26 HG LEU 26 0.920 -11.028 8.222
210 1HD1 LEU 26 1HD1 LEU 26 2.710 -12.689 7.973
211 2HD1 LEU 26 2HD1 LEU 26 3.954 -11.437 8.195
212 3HD1 LEU 26 3HD1 LEU 26 2.878 -11.897 9.532
213 1HD2 LEU 26 1HD2 LEU 26 1.999 -9.649 9.929
214 2HD2 LEU 26 2HD2 LEU 26 3.169 -9.042 8.743
215 3HD2 LEU 26 3HD2 LEU 26 1.449 -8.628 8.589
216 H ILE 27 H ILE 27 -0.465 -10.864 4.613
217 HA ILE 27 HA ILE 27 -2.127 -12.513 6.256
218 HB ILE 27 HB ILE 27 -2.562 -11.175 3.563
219 1HG1 ILE 27 1HG1 ILE 27 -3.819 -10.590 6.283
220 2HG1 ILE 27 2HG1 ILE 27 -2.313 -9.854 5.783
221 1HG2 ILE 27 1HG2 ILE 27 -4.635 -12.685 5.223
222 2HG2 ILE 27 2HG2 ILE 27 -5.004 -11.654 3.823
223 3HG2 ILE 27 3HG2 ILE 27 -4.071 -13.125 3.604
224 1HD1 ILE 27 1HD1 ILE 27 -4.985 -9.492 4.375
225 2HD1 ILE 27 2HD1 ILE 27 -4.123 -8.306 5.360
226 3HD1 ILE 27 3HD1 ILE 27 -3.432 -8.831 3.812
227 H LEU 28 H LEU 28 -0.720 -13.095 2.965
228 HA LEU 28 HA LEU 28 -1.792 -15.742 2.698
229 1HB LEU 28 1HB LEU 28 -0.834 -14.220 0.929
230 2HB LEU 28 2HB LEU 28 0.767 -14.677 1.500
231 HG LEU 28 HG LEU 28 -0.013 -15.892 -0.448
232 1HD1 LEU 28 1HD1 LEU 28 0.792 -18.009 0.077
233 2HD1 LEU 28 2HD1 LEU 28 1.540 -16.946 1.304
234 3HD1 LEU 28 3HD1 LEU 28 0.154 -17.978 1.712
235 1HD2 LEU 28 1HD2 LEU 28 -2.053 -17.351 1.295
236 2HD2 LEU 28 2HD2 LEU 28 -2.488 -16.043 0.193
237 3HD2 LEU 28 3HD2 LEU 28 -1.792 -17.561 -0.428
238 H LEU 29 H LEU 29 1.369 -14.661 3.957
239 HA LEU 29 HA LEU 29 2.328 -17.212 4.634
240 1HB LEU 29 1HB LEU 29 3.671 -15.127 4.751
241 2HB LEU 29 2HB LEU 29 2.718 -14.587 6.135
242 HG LEU 29 HG LEU 29 3.582 -16.470 7.500
243 1HD1 LEU 29 1HD1 LEU 29 5.285 -17.097 5.033
244 2HD1 LEU 29 2HD1 LEU 29 5.530 -17.784 6.655
245 3HD1 LEU 29 3HD1 LEU 29 4.055 -18.153 5.771
246 1HD2 LEU 29 1HD2 LEU 29 5.746 -14.800 6.152
247 2HD2 LEU 29 2HD2 LEU 29 4.714 -14.289 7.510
248 3HD2 LEU 29 3HD2 LEU 29 5.868 -15.609 7.730
249 H LEU 30 H LEU 30 0.024 -15.221 6.491
250 HA LEU 30 HA LEU 30 -0.128 -17.100 8.701
251 1HB LEU 30 1HB LEU 30 -0.672 -14.681 8.870
252 2HB LEU 30 2HB LEU 30 -2.031 -14.926 7.788
253 HG LEU 30 HG LEU 30 -3.131 -16.420 9.431
254 1HD1 LEU 30 1HD1 LEU 30 -1.212 -17.347 10.638
255 2HD1 LEU 30 2HD1 LEU 30 -0.748 -15.732 11.222
256 3HD1 LEU 30 3HD1 LEU 30 -2.256 -16.501 11.774
257 1HD2 LEU 30 1HD2 LEU 30 -2.277 -13.732 10.581
258 2HD2 LEU 30 2HD2 LEU 30 -3.602 -14.007 9.419
259 3HD2 LEU 30 3HD2 LEU 30 -3.708 -14.676 11.054
260 H LEU 31 H LEU 31 -2.069 -16.468 5.780
261 HA LEU 31 HA LEU 31 -3.481 -19.023 6.093
262 1HB LEU 31 1HB LEU 31 -4.873 -17.132 6.945
263 2HB LEU 31 2HB LEU 31 -4.697 -16.333 5.380
264 HG LEU 31 HG LEU 31 -5.867 -18.292 4.301
265 1HD1 LEU 31 1HD1 LEU 31 -7.181 -19.817 5.769
266 2HD1 LEU 31 2HD1 LEU 31 -5.446 -20.059 5.963
267 3HD1 LEU 31 3HD1 LEU 31 -6.351 -19.151 7.191
268 1HD2 LEU 31 1HD2 LEU 31 -8.110 -17.656 5.088
269 2HD2 LEU 31 2HD2 LEU 31 -7.403 -16.882 6.524
270 3HD2 LEU 31 3HD2 LEU 31 -7.076 -16.234 4.899
271 1HN NH2 32 1HN NH2 32 -1.730 -19.659 4.661
272 2HN NH2 32 2HN NH2 32 -1.974 -19.424 2.944
Start of MODEL 6
1 1H SER 1 1H SER 1 -8.922 22.499 3.015
2 2H SER 1 2H SER 1 -7.835 21.270 2.884
3 3H SER 1 3H SER 1 -7.513 22.698 2.123
4 HA SER 1 HA SER 1 -9.183 22.320 0.545
5 1HB SER 1 1HB SER 1 -8.532 19.858 -0.080
6 2HB SER 1 2HB SER 1 -7.277 21.100 -0.081
7 HG SER 1 HG SER 1 -7.176 18.876 1.093
8 HA PRO 2 HA PRO 2 -12.660 19.428 1.923
9 1HB PRO 2 1HB PRO 2 -12.532 17.446 -0.065
10 2HB PRO 2 2HB PRO 2 -13.478 18.960 -0.176
11 1HG PRO 2 1HG PRO 2 -10.705 18.377 -1.249
12 2HG PRO 2 2HG PRO 2 -12.083 19.147 -2.099
13 1HD PRO 2 1HD PRO 2 -10.141 20.662 -1.053
14 2HD PRO 2 2HD PRO 2 -11.837 21.149 -0.845
15 HA PRO 3 HA PRO 3 -10.077 16.262 3.844
16 1HB PRO 3 1HB PRO 3 -11.615 14.025 4.138
17 2HB PRO 3 2HB PRO 3 -11.966 15.557 4.981
18 1HG PRO 3 1HG PRO 3 -13.177 14.575 2.373
19 2HG PRO 3 2HG PRO 3 -14.038 15.140 3.843
20 1HD PRO 3 1HD PRO 3 -13.561 16.804 1.762
21 2HD PRO 3 2HD PRO 3 -13.430 17.394 3.442
22 H ASP 4 H ASP 4 -9.260 16.619 1.260
23 HA ASP 4 HA ASP 4 -9.284 14.148 -0.301
24 1HB ASP 4 1HB ASP 4 -8.212 15.537 -2.008
25 2HB ASP 4 2HB ASP 4 -9.687 16.274 -1.416
26 H TYR 5 H TYR 5 -7.840 14.395 2.311
27 HA TYR 5 HA TYR 5 -5.019 14.471 1.933
28 1HB TYR 5 1HB TYR 5 -4.867 13.370 4.087
29 2HB TYR 5 2HB TYR 5 -6.135 14.583 4.142
30 HD1 TYR 5 HD1 TYR 5 -5.420 10.928 4.049
31 HD2 TYR 5 HD2 TYR 5 -8.488 13.938 4.464
32 HE1 TYR 5 HE1 TYR 5 -7.055 9.180 4.706
33 HE2 TYR 5 HE2 TYR 5 -10.113 12.208 5.108
34 HH TYR 5 HH TYR 5 -10.473 9.926 5.433
35 H SER 6 H SER 6 -7.308 12.069 1.005
36 HA SER 6 HA SER 6 -5.511 9.787 0.894
37 1HB SER 6 1HB SER 6 -8.181 10.351 -0.452
38 2HB SER 6 2HB SER 6 -7.349 8.783 -0.442
39 HG SER 6 HG SER 6 -7.980 10.172 1.960
40 H ALA 7 H ALA 7 -5.594 12.655 -0.989
41 HA ALA 7 HA ALA 7 -4.814 11.546 -3.537
42 1HB ALA 7 1HB ALA 7 -5.948 13.744 -3.257
43 2HB ALA 7 2HB ALA 7 -4.524 14.355 -2.386
44 3HB ALA 7 3HB ALA 7 -4.392 13.898 -4.096
45 H ALA 8 H ALA 8 -3.242 10.357 -1.505
46 HA ALA 8 HA ALA 8 -0.742 11.489 -0.942
47 1HB ALA 8 1HB ALA 8 -1.455 8.563 -1.389
48 2HB ALA 8 2HB ALA 8 0.011 9.167 -0.590
49 3HB ALA 8 3HB ALA 8 -1.578 9.457 0.145
50 HA PRO 9 HA PRO 9 0.526 11.676 -5.196
51 1HB PRO 9 1HB PRO 9 3.061 12.731 -4.966
52 2HB PRO 9 2HB PRO 9 1.554 13.667 -4.744
53 1HG PRO 9 1HG PRO 9 3.291 12.418 -2.600
54 2HG PRO 9 2HG PRO 9 2.609 14.071 -2.650
55 1HD PRO 9 1HD PRO 9 1.419 12.048 -1.255
56 2HD PRO 9 2HD PRO 9 0.447 13.293 -2.100
57 H ARG 10 H ARG 10 2.180 10.835 -6.664
58 HA ARG 10 HA ARG 10 3.717 8.542 -5.667
59 1HB ARG 10 1HB ARG 10 2.867 7.203 -7.693
60 2HB ARG 10 2HB ARG 10 1.903 7.305 -6.235
61 1HG ARG 10 1HG ARG 10 0.474 7.371 -8.131
62 2HG ARG 10 2HG ARG 10 0.354 8.884 -7.247
63 1HD ARG 10 1HD ARG 10 1.662 10.040 -8.963
64 2HD ARG 10 2HD ARG 10 1.981 8.499 -9.794
65 HE ARG 10 HE ARG 10 -0.835 9.057 -9.418
66 1HH1 ARG 10 1HH1 ARG 10 1.903 9.808 -11.529
67 2HH1 ARG 10 2HH1 ARG 10 0.954 10.118 -12.935
68 1HH2 ARG 10 1HH2 ARG 10 -2.149 9.499 -11.281
69 2HH2 ARG 10 2HH2 ARG 10 -1.429 9.953 -12.770
70 H GLY 11 H GLY 11 5.614 8.228 -6.784
71 1HA GLY 11 1HA GLY 11 7.367 8.753 -8.151
72 2HA GLY 11 2HA GLY 11 6.277 9.638 -9.231
73 H ARG 12 H ARG 12 5.857 10.825 -6.103
74 HA ARG 12 HA ARG 12 8.157 12.578 -5.932
75 1HB ARG 12 1HB ARG 12 5.346 13.719 -6.365
76 2HB ARG 12 2HB ARG 12 6.687 14.607 -5.640
77 1HG ARG 12 1HG ARG 12 8.008 14.207 -7.787
78 2HG ARG 12 2HG ARG 12 6.528 13.533 -8.482
79 1HD ARG 12 1HD ARG 12 6.692 15.801 -9.198
80 2HD ARG 12 2HD ARG 12 5.359 15.705 -8.033
81 HE ARG 12 HE ARG 12 7.640 16.370 -6.570
82 1HH1 ARG 12 1HH1 ARG 12 5.801 17.878 -9.199
83 2HH1 ARG 12 2HH1 ARG 12 6.211 19.497 -8.777
84 1HH2 ARG 12 1HH2 ARG 12 8.202 18.545 -5.976
85 2HH2 ARG 12 2HH2 ARG 12 7.618 19.875 -6.889
86 H PHE 13 H PHE 13 8.537 11.571 -4.043
87 HA PHE 13 HA PHE 13 8.126 10.545 -1.978
88 1HB PHE 13 1HB PHE 13 7.963 13.544 -1.629
89 2HB PHE 13 2HB PHE 13 8.459 12.390 -0.395
90 HD1 PHE 13 HD1 PHE 13 9.557 14.441 -3.155
91 HD2 PHE 13 HD2 PHE 13 10.553 10.925 -0.856
92 HE1 PHE 13 HE1 PHE 13 11.898 14.548 -3.988
93 HE2 PHE 13 HE2 PHE 13 12.883 11.047 -1.694
94 HZ PHE 13 HZ PHE 13 13.555 12.851 -3.261
95 H GLY 14 H GLY 14 5.991 9.426 -2.239
96 1HA GLY 14 1HA GLY 14 4.209 10.355 -0.183
97 2HA GLY 14 2HA GLY 14 3.478 10.328 -1.797
98 H ILE 15 H ILE 15 2.373 8.682 -0.018
99 HA ILE 15 HA ILE 15 3.394 5.905 -0.513
100 HB ILE 15 HB ILE 15 2.175 7.083 1.999
101 1HG1 ILE 15 1HG1 ILE 15 5.016 6.103 1.475
102 2HG1 ILE 15 2HG1 ILE 15 4.521 7.768 1.759
103 1HG2 ILE 15 1HG2 ILE 15 2.422 4.867 2.979
104 2HG2 ILE 15 2HG2 ILE 15 1.459 4.730 1.523
105 3HG2 ILE 15 3HG2 ILE 15 3.155 4.243 1.488
106 1HD1 ILE 15 1HD1 ILE 15 4.467 5.513 3.785
107 2HD1 ILE 15 2HD1 ILE 15 5.478 6.962 3.781
108 3HD1 ILE 15 3HD1 ILE 15 3.730 7.115 4.051
109 HA PRO 16 HA PRO 16 -0.906 6.175 -2.055
110 1HB PRO 16 1HB PRO 16 -0.566 4.663 -4.321
111 2HB PRO 16 2HB PRO 16 -0.121 6.394 -4.254
112 1HG PRO 16 1HG PRO 16 1.704 3.999 -3.840
113 2HG PRO 16 2HG PRO 16 1.952 5.386 -4.945
114 1HD PRO 16 1HD PRO 16 3.094 5.342 -2.496
115 2HD PRO 16 2HD PRO 16 2.419 6.858 -3.109
116 H PHE 17 H PHE 17 -1.936 3.720 -2.943
117 HA PHE 17 HA PHE 17 -2.052 2.157 -0.607
118 1HB PHE 17 1HB PHE 17 -3.432 0.648 -2.024
119 2HB PHE 17 2HB PHE 17 -3.885 2.331 -2.166
120 HD1 PHE 17 HD1 PHE 17 -2.088 -0.463 -3.908
121 HD2 PHE 17 HD2 PHE 17 -3.827 3.474 -4.291
122 HE1 PHE 17 HE1 PHE 17 -1.812 -0.574 -6.364
123 HE2 PHE 17 HE2 PHE 17 -3.552 3.345 -6.747
124 HZ PHE 17 HZ PHE 17 -2.539 1.326 -7.790
125 H PHE 18 H PHE 18 0.771 2.246 -1.857
126 HA PHE 18 HA PHE 18 1.371 -0.234 -3.082
127 1HB PHE 18 1HB PHE 18 3.623 0.291 -2.959
128 2HB PHE 18 2HB PHE 18 2.831 1.843 -3.032
129 HD1 PHE 18 HD1 PHE 18 4.472 -0.553 -0.661
130 HD2 PHE 18 HD2 PHE 18 3.475 3.535 -1.561
131 HE1 PHE 18 HE1 PHE 18 6.028 0.213 1.100
132 HE2 PHE 18 HE2 PHE 18 5.137 4.299 0.111
133 HZ PHE 18 HZ PHE 18 6.381 2.644 1.480
134 HA PRO 19 HA PRO 19 2.629 -1.950 1.178
135 1HB PRO 19 1HB PRO 19 1.225 -1.299 3.454
136 2HB PRO 19 2HB PRO 19 2.731 -0.499 2.910
137 1HG PRO 19 1HG PRO 19 -0.126 0.395 2.449
138 2HG PRO 19 2HG PRO 19 1.264 1.372 3.029
139 1HD PRO 19 1HD PRO 19 0.500 1.425 0.481
140 2HD PRO 19 2HD PRO 19 2.235 1.430 0.884
141 H VAL 20 H VAL 20 -0.569 -1.615 -0.112
142 HA VAL 20 HA VAL 20 -1.978 -3.691 1.207
143 HB VAL 20 HB VAL 20 -1.933 -2.545 -1.614
144 1HG1 VAL 20 1HG1 VAL 20 -2.568 -4.779 -2.086
145 2HG1 VAL 20 2HG1 VAL 20 -3.708 -4.819 -0.724
146 3HG1 VAL 20 3HG1 VAL 20 -4.002 -3.776 -2.150
147 1HG2 VAL 20 1HG2 VAL 20 -2.926 -1.175 0.218
148 2HG2 VAL 20 2HG2 VAL 20 -4.135 -1.649 -0.980
149 3HG2 VAL 20 3HG2 VAL 20 -4.059 -2.496 0.580
150 H HIS 21 H HIS 21 0.080 -3.873 -1.713
151 HA HIS 21 HA HIS 21 -0.185 -6.667 -2.096
152 1HB HIS 21 1HB HIS 21 1.690 -4.474 -2.906
153 2HB HIS 21 2HB HIS 21 2.097 -6.137 -3.347
154 HD1 HIS 21 HD1 HIS 21 -1.620 -5.688 -3.714
155 HD2 HIS 21 HD2 HIS 21 1.909 -4.741 -5.831
156 HE1 HIS 21 HE1 HIS 21 -2.312 -5.206 -6.108
157 H LEU 22 H LEU 22 2.099 -4.814 -0.179
158 HA LEU 22 HA LEU 22 3.804 -7.063 0.502
159 1HB LEU 22 1HB LEU 22 3.539 -4.242 1.645
160 2HB LEU 22 2HB LEU 22 4.708 -5.418 2.183
161 HG LEU 22 HG LEU 22 5.978 -4.151 0.777
162 1HD1 LEU 22 1HD1 LEU 22 4.997 -6.237 -1.220
163 2HD1 LEU 22 2HD1 LEU 22 6.573 -5.437 -1.175
164 3HD1 LEU 22 3HD1 LEU 22 6.133 -6.567 0.115
165 1HD2 LEU 22 1HD2 LEU 22 3.801 -4.043 -1.351
166 2HD2 LEU 22 2HD2 LEU 22 4.177 -2.770 -0.171
167 3HD2 LEU 22 3HD2 LEU 22 5.375 -3.238 -1.377
168 H LYS 23 H LYS 23 1.257 -5.228 2.352
169 HA LYS 23 HA LYS 23 1.410 -6.967 4.608
170 1HB LYS 23 1HB LYS 23 0.327 -4.759 4.697
171 2HB LYS 23 2HB LYS 23 -0.889 -5.277 3.531
172 1HG LYS 23 1HG LYS 23 -1.820 -5.233 5.776
173 2HG LYS 23 2HG LYS 23 -1.823 -6.871 5.138
174 1HD LYS 23 1HD LYS 23 0.248 -7.355 6.479
175 2HD LYS 23 2HD LYS 23 0.150 -5.741 7.184
176 1HE LYS 23 1HE LYS 23 -2.003 -7.910 7.363
177 2HE LYS 23 2HE LYS 23 -0.774 -7.628 8.595
178 1HZ LYS 23 1HZ LYS 23 -2.848 -5.679 7.795
179 2HZ LYS 23 2HZ LYS 23 -2.837 -6.570 9.172
180 3HZ LYS 23 3HZ LYS 23 -1.690 -5.424 8.942
181 H ARG 24 H ARG 24 -0.184 -7.302 1.487
182 HA ARG 24 HA ARG 24 -1.813 -9.572 2.150
183 1HB ARG 24 1HB ARG 24 -2.321 -8.336 0.208
184 2HB ARG 24 2HB ARG 24 -0.707 -8.436 -0.430
185 1HG ARG 24 1HG ARG 24 -2.645 -10.784 -0.224
186 2HG ARG 24 2HG ARG 24 -2.425 -9.765 -1.636
187 1HD ARG 24 1HD ARG 24 -0.599 -11.899 -0.575
188 2HD ARG 24 2HD ARG 24 -1.212 -11.635 -2.201
189 HE ARG 24 HE ARG 24 0.519 -9.476 -1.333
190 1HH1 ARG 24 1HH1 ARG 24 0.667 -12.781 -2.608
191 2HH1 ARG 24 2HH1 ARG 24 2.278 -12.635 -3.198
192 1HH2 ARG 24 1HH2 ARG 24 2.580 -9.256 -2.018
193 2HH2 ARG 24 2HH2 ARG 24 3.423 -10.506 -2.887
194 H LEU 25 H LEU 25 1.647 -9.276 1.317
195 HA LEU 25 HA LEU 25 2.049 -12.099 0.918
196 1HB LEU 25 1HB LEU 25 3.616 -10.180 0.262
197 2HB LEU 25 2HB LEU 25 4.069 -10.044 1.941
198 HG LEU 25 HG LEU 25 5.658 -11.271 0.492
199 1HD1 LEU 25 1HD1 LEU 25 4.679 -13.075 2.731
200 2HD1 LEU 25 2HD1 LEU 25 6.302 -12.943 2.058
201 3HD1 LEU 25 3HD1 LEU 25 5.629 -11.591 2.977
202 1HD2 LEU 25 1HD2 LEU 25 3.996 -12.507 -0.897
203 2HD2 LEU 25 2HD2 LEU 25 5.281 -13.530 -0.234
204 3HD2 LEU 25 3HD2 LEU 25 3.673 -13.574 0.497
205 H LEU 26 H LEU 26 2.345 -9.871 3.669
206 HA LEU 26 HA LEU 26 3.091 -11.871 5.577
207 1HB LEU 26 1HB LEU 26 3.431 -9.479 5.979
208 2HB LEU 26 2HB LEU 26 1.685 -9.214 6.014
209 HG LEU 26 HG LEU 26 1.486 -10.602 8.057
210 1HD1 LEU 26 1HD1 LEU 26 4.537 -10.805 7.897
211 2HD1 LEU 26 2HD1 LEU 26 3.550 -11.256 9.305
212 3HD1 LEU 26 3HD1 LEU 26 3.379 -12.153 7.803
213 1HD2 LEU 26 1HD2 LEU 26 3.596 -8.420 8.272
214 2HD2 LEU 26 2HD2 LEU 26 1.835 -8.170 8.233
215 3HD2 LEU 26 3HD2 LEU 26 2.578 -9.033 9.588
216 H ILE 27 H ILE 27 -0.169 -10.675 4.651
217 HA ILE 27 HA ILE 27 -1.627 -12.231 6.550
218 HB ILE 27 HB ILE 27 -2.348 -11.072 3.836
219 1HG1 ILE 27 1HG1 ILE 27 -3.338 -10.340 6.631
220 2HG1 ILE 27 2HG1 ILE 27 -1.912 -9.605 5.924
221 1HG2 ILE 27 1HG2 ILE 27 -4.229 -12.504 5.771
222 2HG2 ILE 27 2HG2 ILE 27 -4.743 -11.573 4.347
223 3HG2 ILE 27 3HG2 ILE 27 -3.807 -13.040 4.137
224 1HD1 ILE 27 1HD1 ILE 27 -4.733 -9.400 4.796
225 2HD1 ILE 27 2HD1 ILE 27 -3.807 -8.134 5.605
226 3HD1 ILE 27 3HD1 ILE 27 -3.270 -8.744 4.025
227 H LEU 28 H LEU 28 -0.574 -13.016 3.170
228 HA LEU 28 HA LEU 28 -1.601 -15.685 3.191
229 1HB LEU 28 1HB LEU 28 -0.830 -14.280 1.242
230 2HB LEU 28 2HB LEU 28 0.822 -14.692 1.688
231 HG LEU 28 HG LEU 28 -0.127 -16.041 -0.093
232 1HD1 LEU 28 1HD1 LEU 28 1.595 -16.967 1.571
233 2HD1 LEU 28 2HD1 LEU 28 0.265 -17.975 2.178
234 3HD1 LEU 28 3HD1 LEU 28 0.748 -18.112 0.493
235 1HD2 LEU 28 1HD2 LEU 28 -1.985 -17.374 1.934
236 2HD2 LEU 28 2HD2 LEU 28 -2.524 -16.156 0.775
237 3HD2 LEU 28 3HD2 LEU 28 -1.873 -17.715 0.212
238 H LEU 29 H LEU 29 1.653 -14.507 4.066
239 HA LEU 29 HA LEU 29 2.700 -17.005 4.825
240 1HB LEU 29 1HB LEU 29 4.007 -14.953 4.611
241 2HB LEU 29 2HB LEU 29 3.257 -14.256 6.042
242 HG LEU 29 HG LEU 29 4.670 -16.913 6.342
243 1HD1 LEU 29 1HD1 LEU 29 6.839 -15.779 6.630
244 2HD1 LEU 29 2HD1 LEU 29 6.237 -15.606 4.980
245 3HD1 LEU 29 3HD1 LEU 29 6.115 -14.238 6.113
246 1HD2 LEU 29 1HD2 LEU 29 4.556 -14.408 8.108
247 2HD2 LEU 29 2HD2 LEU 29 3.579 -15.870 8.341
248 3HD2 LEU 29 3HD2 LEU 29 5.324 -15.954 8.530
249 H LEU 30 H LEU 30 0.584 -14.879 6.759
250 HA LEU 30 HA LEU 30 0.657 -16.588 9.097
251 1HB LEU 30 1HB LEU 30 0.070 -14.176 9.144
252 2HB LEU 30 2HB LEU 30 -1.367 -14.521 8.199
253 HG LEU 30 HG LEU 30 -2.282 -15.928 10.030
254 1HD1 LEU 30 1HD1 LEU 30 -0.229 -16.684 11.143
255 2HD1 LEU 30 2HD1 LEU 30 0.195 -15.010 11.573
256 3HD1 LEU 30 3HD1 LEU 30 -1.229 -15.802 12.291
257 1HD2 LEU 30 1HD2 LEU 30 -2.849 -13.542 9.866
258 2HD2 LEU 30 2HD2 LEU 30 -2.805 -14.081 11.551
259 3HD2 LEU 30 3HD2 LEU 30 -1.453 -13.129 10.895
260 H LEU 31 H LEU 31 -1.587 -16.204 6.347
261 HA LEU 31 HA LEU 31 -2.831 -18.795 6.934
262 1HB LEU 31 1HB LEU 31 -4.205 -16.989 7.945
263 2HB LEU 31 2HB LEU 31 -4.277 -16.181 6.377
264 HG LEU 31 HG LEU 31 -5.499 -18.155 5.438
265 1HD1 LEU 31 1HD1 LEU 31 -6.492 -19.807 7.028
266 2HD1 LEU 31 2HD1 LEU 31 -4.739 -19.957 6.924
267 3HD1 LEU 31 3HD1 LEU 31 -5.472 -19.148 8.325
268 1HD2 LEU 31 1HD2 LEU 31 -6.715 -16.197 6.309
269 2HD2 LEU 31 2HD2 LEU 31 -7.630 -17.689 6.572
270 3HD2 LEU 31 3HD2 LEU 31 -6.761 -16.934 7.928
271 1HN NH2 32 1HN NH2 32 -1.337 -19.443 5.279
272 2HN NH2 32 2HN NH2 32 -1.811 -19.230 3.608
Start of MODEL 7
1 1H SER 1 1H SER 1 -17.931 8.794 -0.007
2 2H SER 1 2H SER 1 -17.734 8.297 1.578
3 3H SER 1 3H SER 1 -16.436 8.766 0.690
4 HA SER 1 HA SER 1 -18.035 6.422 0.020
5 1HB SER 1 1HB SER 1 -15.907 5.997 -1.376
6 2HB SER 1 2HB SER 1 -16.908 7.361 -1.895
7 HG SER 1 HG SER 1 -14.373 7.321 -0.805
8 HA PRO 2 HA PRO 2 -14.899 4.450 2.882
9 1HB PRO 2 1HB PRO 2 -13.935 2.376 1.350
10 2HB PRO 2 2HB PRO 2 -15.492 2.285 2.229
11 1HG PRO 2 1HG PRO 2 -15.026 3.000 -0.686
12 2HG PRO 2 2HG PRO 2 -16.190 1.812 -0.011
13 1HD PRO 2 1HD PRO 2 -16.971 4.320 -0.667
14 2HD PRO 2 2HD PRO 2 -17.611 3.520 0.791
15 HA PRO 3 HA PRO 3 -11.324 6.418 0.981
16 1HB PRO 3 1HB PRO 3 -9.165 5.087 2.006
17 2HB PRO 3 2HB PRO 3 -10.203 6.142 3.016
18 1HG PRO 3 1HG PRO 3 -10.344 3.124 2.713
19 2HG PRO 3 2HG PRO 3 -10.333 4.081 4.231
20 1HD PRO 3 1HD PRO 3 -12.641 3.172 3.105
21 2HD PRO 3 2HD PRO 3 -12.573 4.763 3.921
22 H ASP 4 H ASP 4 -9.684 6.068 -0.747
23 HA ASP 4 HA ASP 4 -9.785 3.460 -2.085
24 1HB ASP 4 1HB ASP 4 -9.885 4.588 -4.091
25 2HB ASP 4 2HB ASP 4 -11.029 5.493 -3.111
26 H TYR 5 H TYR 5 -7.681 4.560 -3.910
27 HA TYR 5 HA TYR 5 -5.377 3.995 -2.127
28 1HB TYR 5 1HB TYR 5 -4.296 3.227 -4.157
29 2HB TYR 5 2HB TYR 5 -5.744 2.305 -3.797
30 HD1 TYR 5 HD1 TYR 5 -7.588 2.238 -5.369
31 HD2 TYR 5 HD2 TYR 5 -4.274 4.928 -6.029
32 HE1 TYR 5 HE1 TYR 5 -8.400 2.668 -7.658
33 HE2 TYR 5 HE2 TYR 5 -5.089 5.363 -8.328
34 HH TYR 5 HH TYR 5 -8.128 4.027 -9.568
35 H SER 6 H SER 6 -6.814 6.702 -3.562
36 HA SER 6 HA SER 6 -4.519 7.977 -4.699
37 1HB SER 6 1HB SER 6 -7.238 9.062 -3.876
38 2HB SER 6 2HB SER 6 -6.045 9.882 -4.905
39 HG SER 6 HG SER 6 -7.577 7.565 -5.376
40 H ALA 7 H ALA 7 -3.590 7.200 -2.372
41 HA ALA 7 HA ALA 7 -3.612 9.293 -0.327
42 1HB ALA 7 1HB ALA 7 -1.882 7.853 0.740
43 2HB ALA 7 2HB ALA 7 -3.293 6.904 0.254
44 3HB ALA 7 3HB ALA 7 -1.817 6.857 -0.729
45 H ALA 8 H ALA 8 -0.868 9.482 0.213
46 HA ALA 8 HA ALA 8 -0.226 11.802 -1.057
47 1HB ALA 8 1HB ALA 8 1.662 9.781 0.196
48 2HB ALA 8 2HB ALA 8 2.096 11.468 -0.183
49 3HB ALA 8 3HB ALA 8 0.828 11.121 1.005
50 HA PRO 9 HA PRO 9 0.684 10.971 -5.153
51 1HB PRO 9 1HB PRO 9 2.438 12.935 -5.936
52 2HB PRO 9 2HB PRO 9 0.708 13.165 -5.587
53 1HG PRO 9 1HG PRO 9 3.024 13.600 -3.673
54 2HG PRO 9 2HG PRO 9 1.667 14.715 -4.044
55 1HD PRO 9 1HD PRO 9 1.592 13.106 -1.878
56 2HD PRO 9 2HD PRO 9 0.116 13.353 -2.863
57 H ARG 10 H ARG 10 1.638 9.606 -6.214
58 HA ARG 10 HA ARG 10 3.918 8.092 -5.349
59 1HB ARG 10 1HB ARG 10 3.674 6.923 -7.575
60 2HB ARG 10 2HB ARG 10 2.243 6.921 -6.552
61 1HG ARG 10 1HG ARG 10 1.221 8.715 -7.918
62 2HG ARG 10 2HG ARG 10 2.659 8.760 -8.955
63 1HD ARG 10 1HD ARG 10 2.247 6.480 -9.706
64 2HD ARG 10 2HD ARG 10 0.911 6.299 -8.547
65 HE ARG 10 HE ARG 10 0.319 8.535 -10.116
66 1HH1 ARG 10 1HH1 ARG 10 0.685 5.049 -10.663
67 2HH1 ARG 10 2HH1 ARG 10 -0.471 4.969 -11.938
68 1HH2 ARG 10 1HH2 ARG 10 -1.256 8.441 -11.822
69 2HH2 ARG 10 2HH2 ARG 10 -1.591 6.958 -12.611
70 H GLY 11 H GLY 11 6.019 8.165 -5.992
71 1HA GLY 11 1HA GLY 11 7.966 8.999 -6.927
72 2HA GLY 11 2HA GLY 11 6.990 9.655 -8.249
73 H ARG 12 H ARG 12 5.820 10.790 -5.265
74 HA ARG 12 HA ARG 12 7.571 13.190 -5.168
75 1HB ARG 12 1HB ARG 12 4.553 13.061 -5.531
76 2HB ARG 12 2HB ARG 12 5.361 14.488 -4.868
77 1HG ARG 12 1HG ARG 12 6.787 14.593 -6.913
78 2HG ARG 12 2HG ARG 12 5.858 13.242 -7.600
79 1HD ARG 12 1HD ARG 12 3.941 14.526 -7.930
80 2HD ARG 12 2HD ARG 12 4.367 15.671 -6.658
81 HE ARG 12 HE ARG 12 5.151 17.008 -8.226
82 1HH1 ARG 12 1HH1 ARG 12 5.979 13.765 -9.401
83 2HH1 ARG 12 2HH1 ARG 12 6.744 14.314 -10.845
84 1HH2 ARG 12 1HH2 ARG 12 6.170 17.760 -10.141
85 2HH2 ARG 12 2HH2 ARG 12 6.850 16.658 -11.268
86 H PHE 13 H PHE 13 8.315 11.614 -3.510
87 HA PHE 13 HA PHE 13 8.413 10.452 -1.633
88 1HB PHE 13 1HB PHE 13 7.484 13.189 -0.854
89 2HB PHE 13 2HB PHE 13 8.227 12.075 0.308
90 HD1 PHE 13 HD1 PHE 13 10.623 11.217 -0.240
91 HD2 PHE 13 HD2 PHE 13 8.818 14.636 -2.164
92 HE1 PHE 13 HE1 PHE 13 12.862 12.004 -0.961
93 HE2 PHE 13 HE2 PHE 13 11.065 15.411 -2.880
94 HZ PHE 13 HZ PHE 13 13.086 14.095 -2.283
95 H GLY 14 H GLY 14 5.428 10.528 -2.741
96 1HA GLY 14 1HA GLY 14 4.006 9.952 -0.271
97 2HA GLY 14 2HA GLY 14 3.349 10.084 -1.906
98 H ILE 15 H ILE 15 2.586 8.173 -0.090
99 HA ILE 15 HA ILE 15 3.655 5.541 -0.997
100 HB ILE 15 HB ILE 15 2.539 6.462 1.665
101 1HG1 ILE 15 1HG1 ILE 15 4.966 5.293 2.219
102 2HG1 ILE 15 2HG1 ILE 15 5.317 5.998 0.647
103 1HG2 ILE 15 1HG2 ILE 15 1.726 4.216 1.223
104 2HG2 ILE 15 2HG2 ILE 15 3.355 3.671 0.795
105 3HG2 ILE 15 3HG2 ILE 15 2.979 4.163 2.460
106 1HD1 ILE 15 1HD1 ILE 15 4.252 7.482 3.091
107 2HD1 ILE 15 2HD1 ILE 15 5.919 7.509 2.484
108 3HD1 ILE 15 3HD1 ILE 15 4.624 8.236 1.524
109 HA PRO 16 HA PRO 16 -0.748 5.700 -2.345
110 1HB PRO 16 1HB PRO 16 -0.490 4.364 -4.704
111 2HB PRO 16 2HB PRO 16 0.028 6.065 -4.541
112 1HG PRO 16 1HG PRO 16 1.770 3.580 -4.262
113 2HG PRO 16 2HG PRO 16 2.038 4.981 -5.345
114 1HD PRO 16 1HD PRO 16 3.226 4.847 -2.918
115 2HD PRO 16 2HD PRO 16 2.589 6.402 -3.516
116 H PHE 17 H PHE 17 -1.497 3.114 -3.548
117 HA PHE 17 HA PHE 17 -1.806 1.531 -1.273
118 1HB PHE 17 1HB PHE 17 -2.820 -0.097 -2.793
119 2HB PHE 17 2HB PHE 17 -3.323 1.517 -3.189
120 HD1 PHE 17 HD1 PHE 17 -2.646 2.575 -5.365
121 HD2 PHE 17 HD2 PHE 17 -1.321 -1.401 -4.302
122 HE1 PHE 17 HE1 PHE 17 -2.004 2.158 -7.701
123 HE2 PHE 17 HE2 PHE 17 -0.656 -1.793 -6.646
124 HZ PHE 17 HZ PHE 17 -0.997 -0.025 -8.357
125 H PHE 18 H PHE 18 1.190 1.830 -1.996
126 HA PHE 18 HA PHE 18 2.003 -0.824 -2.789
127 1HB PHE 18 1HB PHE 18 4.207 -0.293 -2.543
128 2HB PHE 18 2HB PHE 18 3.428 1.153 -3.128
129 HD1 PHE 18 HD1 PHE 18 4.391 3.089 -2.419
130 HD2 PHE 18 HD2 PHE 18 4.573 -0.352 0.177
131 HE1 PHE 18 HE1 PHE 18 5.883 4.321 -0.882
132 HE2 PHE 18 HE2 PHE 18 5.997 0.916 1.742
133 HZ PHE 18 HZ PHE 18 6.667 3.249 1.219
134 HA PRO 19 HA PRO 19 2.769 -1.796 1.758
135 1HB PRO 19 1HB PRO 19 1.336 -0.669 3.796
136 2HB PRO 19 2HB PRO 19 2.864 0.011 3.155
137 1HG PRO 19 1HG PRO 19 0.030 0.825 2.475
138 2HG PRO 19 2HG PRO 19 1.428 1.879 2.858
139 1HD PRO 19 1HD PRO 19 0.607 1.308 0.329
140 2HD PRO 19 2HD PRO 19 2.330 1.601 0.705
141 H VAL 20 H VAL 20 -0.402 -1.314 0.368
142 HA VAL 20 HA VAL 20 -1.901 -3.242 1.891
143 HB VAL 20 HB VAL 20 -2.061 -2.125 -0.933
144 1HG1 VAL 20 1HG1 VAL 20 -3.831 -4.296 0.152
145 2HG1 VAL 20 2HG1 VAL 20 -4.189 -3.272 -1.281
146 3HG1 VAL 20 3HG1 VAL 20 -2.805 -4.342 -1.292
147 1HG2 VAL 20 1HG2 VAL 20 -4.131 -1.103 -0.131
148 2HG2 VAL 20 2HG2 VAL 20 -3.945 -1.909 1.440
149 3HG2 VAL 20 3HG2 VAL 20 -2.785 -0.663 0.926
150 H HIS 21 H HIS 21 -0.069 -3.471 -1.168
151 HA HIS 21 HA HIS 21 -0.509 -6.226 -1.619
152 1HB HIS 21 1HB HIS 21 1.392 -4.098 -2.474
153 2HB HIS 21 2HB HIS 21 1.715 -5.768 -2.987
154 HD1 HIS 21 HD1 HIS 21 -1.861 -4.173 -3.046
155 HD2 HIS 21 HD2 HIS 21 1.397 -5.250 -5.502
156 HE1 HIS 21 HE1 HIS 21 -2.667 -3.973 -5.455
157 H LEU 22 H LEU 22 2.085 -4.546 0.176
158 HA LEU 22 HA LEU 22 3.571 -6.994 0.664
159 1HB LEU 22 1HB LEU 22 3.775 -4.176 1.798
160 2HB LEU 22 2HB LEU 22 4.785 -5.503 2.311
161 HG LEU 22 HG LEU 22 6.156 -4.446 0.812
162 1HD1 LEU 22 1HD1 LEU 22 6.484 -5.831 -1.137
163 2HD1 LEU 22 2HD1 LEU 22 5.970 -6.879 0.193
164 3HD1 LEU 22 3HD1 LEU 22 4.821 -6.423 -1.091
165 1HD2 LEU 22 1HD2 LEU 22 3.885 -4.121 -1.181
166 2HD2 LEU 22 2HD2 LEU 22 4.509 -2.867 -0.080
167 3HD2 LEU 22 3HD2 LEU 22 5.545 -3.530 -1.349
168 H LYS 23 H LYS 23 1.303 -4.986 2.727
169 HA LYS 23 HA LYS 23 1.585 -6.816 4.928
170 1HB LYS 23 1HB LYS 23 0.580 -4.527 5.104
171 2HB LYS 23 2HB LYS 23 -0.857 -5.113 4.243
172 1HG LYS 23 1HG LYS 23 -1.310 -6.734 6.033
173 2HG LYS 23 2HG LYS 23 0.223 -6.342 6.827
174 1HD LYS 23 1HD LYS 23 -0.599 -4.044 7.273
175 2HD LYS 23 2HD LYS 23 -2.150 -4.457 6.499
176 1HE LYS 23 1HE LYS 23 -2.505 -6.271 8.154
177 2HE LYS 23 2HE LYS 23 -0.940 -5.922 8.896
178 1HZ LYS 23 1HZ LYS 23 -3.250 -4.072 8.846
179 2HZ LYS 23 2HZ LYS 23 -2.739 -4.942 10.139
180 3HZ LYS 23 3HZ LYS 23 -1.787 -3.752 9.536
181 H ARG 24 H ARG 24 -0.252 -6.929 1.935
182 HA ARG 24 HA ARG 24 -1.873 -9.198 2.644
183 1HB ARG 24 1HB ARG 24 -2.598 -7.801 0.875
184 2HB ARG 24 2HB ARG 24 -1.087 -7.917 0.018
185 1HG ARG 24 1HG ARG 24 -2.360 -10.575 0.317
186 2HG ARG 24 2HG ARG 24 -3.421 -9.400 -0.426
187 1HD ARG 24 1HD ARG 24 -2.151 -10.580 -2.146
188 2HD ARG 24 2HD ARG 24 -1.794 -8.862 -2.144
189 HE ARG 24 HE ARG 24 0.362 -9.224 -1.352
190 1HH1 ARG 24 1HH1 ARG 24 -1.327 -12.343 -1.419
191 2HH1 ARG 24 2HH1 ARG 24 0.083 -13.296 -1.671
192 1HH2 ARG 24 1HH2 ARG 24 2.255 -10.461 -1.752
193 2HH2 ARG 24 2HH2 ARG 24 2.197 -12.183 -1.842
194 H LEU 25 H LEU 25 1.483 -8.865 1.546
195 HA LEU 25 HA LEU 25 1.857 -11.668 0.931
196 1HB LEU 25 1HB LEU 25 3.346 -9.638 0.313
197 2HB LEU 25 2HB LEU 25 4.003 -9.750 1.938
198 HG LEU 25 HG LEU 25 4.025 -12.076 -0.027
199 1HD1 LEU 25 1HD1 LEU 25 6.201 -10.015 0.529
200 2HD1 LEU 25 2HD1 LEU 25 6.360 -11.446 -0.505
201 3HD1 LEU 25 3HD1 LEU 25 5.254 -10.149 -0.968
202 1HD2 LEU 25 1HD2 LEU 25 5.570 -11.557 2.562
203 2HD2 LEU 25 2HD2 LEU 25 4.432 -12.884 2.237
204 3HD2 LEU 25 3HD2 LEU 25 5.971 -12.837 1.402
205 H LEU 26 H LEU 26 2.386 -9.612 3.820
206 HA LEU 26 HA LEU 26 3.208 -11.732 5.534
207 1HB LEU 26 1HB LEU 26 3.550 -9.359 6.067
208 2HB LEU 26 2HB LEU 26 1.807 -9.117 6.211
209 HG LEU 26 HG LEU 26 1.733 -10.649 8.165
210 1HD1 LEU 26 1HD1 LEU 26 3.875 -11.320 9.262
211 2HD1 LEU 26 2HD1 LEU 26 3.644 -12.128 7.718
212 3HD1 LEU 26 3HD1 LEU 26 4.773 -10.757 7.836
213 1HD2 LEU 26 1HD2 LEU 26 3.792 -8.420 8.407
214 2HD2 LEU 26 2HD2 LEU 26 2.024 -8.225 8.471
215 3HD2 LEU 26 3HD2 LEU 26 2.859 -9.142 9.733
216 H ILE 27 H ILE 27 -0.093 -10.447 4.918
217 HA ILE 27 HA ILE 27 -1.432 -12.154 6.759
218 HB ILE 27 HB ILE 27 -2.331 -10.788 4.201
219 1HG1 ILE 27 1HG1 ILE 27 -3.130 -10.231 7.096
220 2HG1 ILE 27 2HG1 ILE 27 -1.709 -9.496 6.380
221 1HG2 ILE 27 1HG2 ILE 27 -3.807 -12.740 4.466
222 2HG2 ILE 27 2HG2 ILE 27 -4.080 -12.336 6.168
223 3HG2 ILE 27 3HG2 ILE 27 -4.692 -11.280 4.877
224 1HD1 ILE 27 1HD1 ILE 27 -4.565 -9.104 5.404
225 2HD1 ILE 27 2HD1 ILE 27 -3.545 -7.935 6.253
226 3HD1 ILE 27 3HD1 ILE 27 -3.112 -8.449 4.611
227 H LEU 28 H LEU 28 -0.548 -12.693 3.308
228 HA LEU 28 HA LEU 28 -1.669 -15.357 3.155
229 1HB LEU 28 1HB LEU 28 -0.966 -13.716 1.292
230 2HB LEU 28 2HB LEU 28 0.684 -14.247 1.583
231 HG LEU 28 HG LEU 28 -0.331 -15.299 -0.293
232 1HD1 LEU 28 1HD1 LEU 28 1.290 -16.631 1.173
233 2HD1 LEU 28 2HD1 LEU 28 -0.137 -17.578 1.656
234 3HD1 LEU 28 3HD1 LEU 28 0.326 -17.515 -0.037
235 1HD2 LEU 28 1HD2 LEU 28 -2.728 -15.275 0.508
236 2HD2 LEU 28 2HD2 LEU 28 -2.239 -16.834 -0.197
237 3HD2 LEU 28 3HD2 LEU 28 -2.353 -16.658 1.548
238 H LEU 29 H LEU 29 1.615 -14.245 3.946
239 HA LEU 29 HA LEU 29 2.847 -16.716 4.325
240 1HB LEU 29 1HB LEU 29 3.988 -14.581 4.523
241 2HB LEU 29 2HB LEU 29 3.190 -14.229 6.050
242 HG LEU 29 HG LEU 29 4.805 -16.777 5.831
243 1HD1 LEU 29 1HD1 LEU 29 5.999 -14.002 6.252
244 2HD1 LEU 29 2HD1 LEU 29 6.854 -15.550 6.443
245 3HD1 LEU 29 3HD1 LEU 29 6.268 -15.066 4.849
246 1HD2 LEU 29 1HD2 LEU 29 5.347 -16.242 8.202
247 2HD2 LEU 29 2HD2 LEU 29 4.395 -14.745 8.093
248 3HD2 LEU 29 3HD2 LEU 29 3.609 -16.331 7.973
249 H LEU 30 H LEU 30 0.609 -15.097 6.586
250 HA LEU 30 HA LEU 30 0.690 -17.320 8.491
251 1HB LEU 30 1HB LEU 30 0.198 -15.053 9.263
252 2HB LEU 30 2HB LEU 30 -1.195 -14.968 8.190
253 HG LEU 30 HG LEU 30 -2.302 -16.812 9.462
254 1HD1 LEU 30 1HD1 LEU 30 0.120 -16.560 11.313
255 2HD1 LEU 30 2HD1 LEU 30 -1.379 -17.438 11.698
256 3HD1 LEU 30 3HD1 LEU 30 -0.356 -17.998 10.379
257 1HD2 LEU 30 1HD2 LEU 30 -2.743 -14.455 10.003
258 2HD2 LEU 30 2HD2 LEU 30 -2.819 -15.467 11.452
259 3HD2 LEU 30 3HD2 LEU 30 -1.389 -14.452 11.157
260 H LEU 31 H LEU 31 -1.752 -16.067 6.160
261 HA LEU 31 HA LEU 31 -3.456 -18.387 6.389
262 1HB LEU 31 1HB LEU 31 -4.137 -15.922 6.202
263 2HB LEU 31 2HB LEU 31 -3.631 -16.003 4.515
264 HG LEU 31 HG LEU 31 -5.346 -17.800 4.138
265 1HD1 LEU 31 1HD1 LEU 31 -7.140 -18.097 5.854
266 2HD1 LEU 31 2HD1 LEU 31 -5.595 -18.742 6.390
267 3HD1 LEU 31 3HD1 LEU 31 -6.158 -17.177 7.015
268 1HD2 LEU 31 1HD2 LEU 31 -7.284 -16.291 4.224
269 2HD2 LEU 31 2HD2 LEU 31 -6.415 -15.214 5.341
270 3HD2 LEU 31 3HD2 LEU 31 -5.839 -15.434 3.671
271 1HN NH2 32 1HN NH2 32 -0.942 -19.169 5.525
272 2HN NH2 32 2HN NH2 32 -1.027 -19.730 3.861
Start of MODEL 8
1 1H SER 1 1H SER 1 17.265 11.633 8.256
2 2H SER 1 2H SER 1 17.362 11.801 9.920
3 3H SER 1 3H SER 1 17.261 10.310 9.240
4 HA SER 1 HA SER 1 15.126 12.264 8.994
5 1HB SER 1 1HB SER 1 13.934 9.949 8.532
6 2HB SER 1 2HB SER 1 14.913 10.691 7.264
7 HG SER 1 HG SER 1 15.119 8.319 8.171
8 HA PRO 2 HA PRO 2 13.795 10.446 13.130
9 1HB PRO 2 1HB PRO 2 11.383 9.214 12.446
10 2HB PRO 2 2HB PRO 2 11.551 10.940 12.884
11 1HG PRO 2 1HG PRO 2 11.497 9.699 10.113
12 2HG PRO 2 2HG PRO 2 10.554 11.102 10.721
13 1HD PRO 2 1HD PRO 2 12.792 11.512 9.303
14 2HD PRO 2 2HD PRO 2 12.482 12.489 10.755
15 HA PRO 3 HA PRO 3 15.274 6.321 12.401
16 1HB PRO 3 1HB PRO 3 14.139 4.693 14.294
17 2HB PRO 3 2HB PRO 3 15.242 6.036 14.686
18 1HG PRO 3 1HG PRO 3 12.204 6.095 14.668
19 2HG PRO 3 2HG PRO 3 13.309 6.586 15.997
20 1HD PRO 3 1HD PRO 3 12.305 8.410 14.278
21 2HD PRO 3 2HD PRO 3 14.003 8.528 14.823
22 H ASP 4 H ASP 4 13.443 6.912 10.436
23 HA ASP 4 HA ASP 4 11.492 4.811 9.965
24 1HB ASP 4 1HB ASP 4 10.928 6.016 8.052
25 2HB ASP 4 2HB ASP 4 11.283 7.255 9.243
26 H TYR 5 H TYR 5 14.313 3.955 10.402
27 HA TYR 5 HA TYR 5 15.322 3.173 7.778
28 1HB TYR 5 1HB TYR 5 17.107 2.150 8.904
29 2HB TYR 5 2HB TYR 5 16.833 3.675 9.714
30 HD1 TYR 5 HD1 TYR 5 16.790 0.008 10.005
31 HD2 TYR 5 HD2 TYR 5 15.885 3.702 12.052
32 HE1 TYR 5 HE1 TYR 5 16.658 -1.211 12.155
33 HE2 TYR 5 HE2 TYR 5 15.738 2.489 14.190
34 HH TYR 5 HH TYR 5 16.013 0.426 15.263
35 H SER 6 H SER 6 13.618 1.628 10.488
36 HA SER 6 HA SER 6 13.663 -0.978 9.547
37 1HB SER 6 1HB SER 6 11.351 0.173 11.142
38 2HB SER 6 2HB SER 6 12.089 -1.436 11.263
39 HG SER 6 HG SER 6 12.931 -0.278 12.943
40 H ALA 7 H ALA 7 11.576 1.621 8.621
41 HA ALA 7 HA ALA 7 10.582 0.254 6.306
42 1HB ALA 7 1HB ALA 7 8.593 1.128 8.467
43 2HB ALA 7 2HB ALA 7 8.166 0.686 6.800
44 3HB ALA 7 3HB ALA 7 8.852 -0.535 7.893
45 H ALA 8 H ALA 8 11.073 1.886 4.915
46 HA ALA 8 HA ALA 8 11.134 4.685 5.878
47 1HB ALA 8 1HB ALA 8 12.455 3.273 3.537
48 2HB ALA 8 2HB ALA 8 12.593 4.996 3.939
49 3HB ALA 8 3HB ALA 8 13.220 3.776 5.068
50 HA PRO 9 HA PRO 9 7.665 5.023 2.846
51 1HB PRO 9 1HB PRO 9 6.156 6.797 4.117
52 2HB PRO 9 2HB PRO 9 6.154 5.090 4.658
53 1HG PRO 9 1HG PRO 9 7.588 7.404 5.960
54 2HG PRO 9 2HG PRO 9 6.704 6.049 6.721
55 1HD PRO 9 1HD PRO 9 9.468 6.117 6.330
56 2HD PRO 9 2HD PRO 9 8.510 4.614 6.476
57 H ARG 10 H ARG 10 8.857 6.159 1.233
58 HA ARG 10 HA ARG 10 8.887 8.953 1.170
59 1HB ARG 10 1HB ARG 10 11.345 9.298 1.341
60 2HB ARG 10 2HB ARG 10 10.661 8.845 2.871
61 1HG ARG 10 1HG ARG 10 11.488 6.443 2.367
62 2HG ARG 10 2HG ARG 10 12.386 7.162 1.016
63 1HD ARG 10 1HD ARG 10 13.419 8.769 2.716
64 2HD ARG 10 2HD ARG 10 12.624 7.828 3.980
65 HE ARG 10 HE ARG 10 14.481 6.524 2.045
66 1HH1 ARG 10 1HH1 ARG 10 13.673 7.227 5.478
67 2HH1 ARG 10 2HH1 ARG 10 14.987 6.452 6.130
68 1HH2 ARG 10 1HH2 ARG 10 16.282 5.331 2.948
69 2HH2 ARG 10 2HH2 ARG 10 16.473 5.281 4.663
70 H GLY 11 H GLY 11 10.623 9.629 -0.608
71 1HA GLY 11 1HA GLY 11 11.386 9.539 -2.720
72 2HA GLY 11 2HA GLY 11 11.615 7.799 -2.499
73 H ARG 12 H ARG 12 8.381 8.368 -2.087
74 HA ARG 12 HA ARG 12 7.662 8.318 -4.981
75 1HB ARG 12 1HB ARG 12 6.917 6.227 -2.875
76 2HB ARG 12 2HB ARG 12 6.101 6.405 -4.431
77 1HG ARG 12 1HG ARG 12 8.506 6.161 -5.475
78 2HG ARG 12 2HG ARG 12 8.952 5.538 -3.883
79 1HD ARG 12 1HD ARG 12 8.446 3.659 -5.247
80 2HD ARG 12 2HD ARG 12 7.078 3.835 -4.129
81 HE ARG 12 HE ARG 12 6.475 5.311 -6.438
82 1HH1 ARG 12 1HH1 ARG 12 7.036 1.907 -5.666
83 2HH1 ARG 12 2HH1 ARG 12 6.085 1.277 -6.961
84 1HH2 ARG 12 1HH2 ARG 12 5.200 4.504 -8.203
85 2HH2 ARG 12 2HH2 ARG 12 5.007 2.816 -8.446
86 H PHE 13 H PHE 13 7.223 10.578 -4.188
87 HA PHE 13 HA PHE 13 6.057 12.228 -3.121
88 1HB PHE 13 1HB PHE 13 4.077 10.611 -4.703
89 2HB PHE 13 2HB PHE 13 3.730 12.235 -4.091
90 HD1 PHE 13 HD1 PHE 13 5.337 10.310 -6.729
91 HD2 PHE 13 HD2 PHE 13 5.193 14.191 -4.839
92 HE1 PHE 13 HE1 PHE 13 6.491 11.318 -8.686
93 HE2 PHE 13 HE2 PHE 13 6.342 15.180 -6.798
94 HZ PHE 13 HZ PHE 13 6.995 13.749 -8.718
95 H GLY 14 H GLY 14 6.597 11.149 -0.967
96 1HA GLY 14 1HA GLY 14 5.823 11.163 1.229
97 2HA GLY 14 2HA GLY 14 4.185 11.374 0.621
98 H ILE 15 H ILE 15 2.969 9.821 1.203
99 HA ILE 15 HA ILE 15 3.841 6.953 1.506
100 HB ILE 15 HB ILE 15 1.888 8.515 3.230
101 1HG1 ILE 15 1HG1 ILE 15 3.949 7.956 4.978
102 2HG1 ILE 15 2HG1 ILE 15 4.836 8.398 3.521
103 1HG2 ILE 15 1HG2 ILE 15 1.870 6.662 4.699
104 2HG2 ILE 15 2HG2 ILE 15 1.626 6.015 3.072
105 3HG2 ILE 15 3HG2 ILE 15 3.212 5.875 3.862
106 1HD1 ILE 15 1HD1 ILE 15 4.462 10.344 4.957
107 2HD1 ILE 15 2HD1 ILE 15 3.574 10.557 3.438
108 3HD1 ILE 15 3HD1 ILE 15 2.708 10.077 4.915
109 HA PRO 16 HA PRO 16 0.217 7.119 -1.276
110 1HB PRO 16 1HB PRO 16 1.166 5.416 -3.213
111 2HB PRO 16 2HB PRO 16 1.556 7.159 -3.179
112 1HG PRO 16 1HG PRO 16 3.239 4.854 -2.199
113 2HG PRO 16 2HG PRO 16 3.747 6.257 -3.179
114 1HD PRO 16 1HD PRO 16 4.100 6.112 -0.445
115 2HD PRO 16 2HD PRO 16 3.823 7.658 -1.258
116 H PHE 17 H PHE 17 -0.772 4.786 -2.132
117 HA PHE 17 HA PHE 17 -1.366 3.180 0.129
118 1HB PHE 17 1HB PHE 17 -2.572 1.800 -1.546
119 2HB PHE 17 2HB PHE 17 -2.920 3.507 -1.681
120 HD1 PHE 17 HD1 PHE 17 -2.411 4.759 -3.697
121 HD2 PHE 17 HD2 PHE 17 -1.099 0.658 -3.288
122 HE1 PHE 17 HE1 PHE 17 -1.788 4.707 -6.090
123 HE2 PHE 17 HE2 PHE 17 -0.481 0.623 -5.673
124 HZ PHE 17 HZ PHE 17 -0.820 2.646 -7.087
125 H PHE 18 H PHE 18 1.606 3.219 -0.593
126 HA PHE 18 HA PHE 18 2.469 0.933 -1.924
127 1HB PHE 18 1HB PHE 18 4.634 1.459 -1.192
128 2HB PHE 18 2HB PHE 18 3.809 2.992 -1.151
129 HD1 PHE 18 HD1 PHE 18 5.100 0.234 0.959
130 HD2 PHE 18 HD2 PHE 18 3.716 4.326 0.817
131 HE1 PHE 18 HE1 PHE 18 6.006 0.619 3.228
132 HE2 PHE 18 HE2 PHE 18 4.720 4.717 3.024
133 HZ PHE 18 HZ PHE 18 5.821 2.856 4.276
134 HA PRO 19 HA PRO 19 2.797 -1.472 2.158
135 1HB PRO 19 1HB PRO 19 1.075 -1.129 4.251
136 2HB PRO 19 2HB PRO 19 2.596 -0.205 4.056
137 1HG PRO 19 1HG PRO 19 -0.202 0.631 3.215
138 2HG PRO 19 2HG PRO 19 0.978 1.559 4.202
139 1HD PRO 19 1HD PRO 19 0.751 2.003 1.589
140 2HD PRO 19 2HD PRO 19 2.358 1.956 2.346
141 H VAL 20 H VAL 20 -0.092 -0.847 0.378
142 HA VAL 20 HA VAL 20 -1.779 -2.994 1.143
143 HB VAL 20 HB VAL 20 -1.128 -1.502 -1.445
144 1HG1 VAL 20 1HG1 VAL 20 -3.099 -2.545 -2.537
145 2HG1 VAL 20 2HG1 VAL 20 -1.712 -3.588 -2.379
146 3HG1 VAL 20 3HG1 VAL 20 -3.074 -3.805 -1.256
147 1HG2 VAL 20 1HG2 VAL 20 -2.457 -0.346 0.329
148 2HG2 VAL 20 2HG2 VAL 20 -3.381 -0.578 -1.158
149 3HG2 VAL 20 3HG2 VAL 20 -3.675 -1.639 0.235
150 H HIS 21 H HIS 21 0.645 -2.977 -1.427
151 HA HIS 21 HA HIS 21 0.399 -5.657 -2.171
152 1HB HIS 21 1HB HIS 21 2.632 -3.644 -2.203
153 2HB HIS 21 2HB HIS 21 2.718 -5.129 -3.161
154 HD1 HIS 21 HD1 HIS 21 0.446 -5.072 -5.121
155 HD2 HIS 21 HD2 HIS 21 1.772 -1.552 -3.201
156 HE1 HIS 21 HE1 HIS 21 -0.516 -3.117 -6.433
157 H LEU 22 H LEU 22 2.597 -4.155 0.133
158 HA LEU 22 HA LEU 22 4.014 -6.549 0.858
159 1HB LEU 22 1HB LEU 22 3.691 -3.876 2.287
160 2HB LEU 22 2HB LEU 22 4.764 -5.158 2.789
161 HG LEU 22 HG LEU 22 6.263 -3.842 1.697
162 1HD1 LEU 22 1HD1 LEU 22 6.907 -4.774 -0.449
163 2HD1 LEU 22 2HD1 LEU 22 6.317 -6.087 0.582
164 3HD1 LEU 22 3HD1 LEU 22 5.291 -5.439 -0.720
165 1HD2 LEU 22 1HD2 LEU 22 4.638 -2.159 0.936
166 2HD2 LEU 22 2HD2 LEU 22 5.881 -2.490 -0.274
167 3HD2 LEU 22 3HD2 LEU 22 4.255 -3.156 -0.484
168 H LYS 23 H LYS 23 1.236 -4.808 2.485
169 HA LYS 23 HA LYS 23 1.166 -6.764 4.589
170 1HB LYS 23 1HB LYS 23 0.065 -4.462 4.631
171 2HB LYS 23 2HB LYS 23 -1.216 -5.131 3.597
172 1HG LYS 23 1HG LYS 23 -1.639 -6.885 5.364
173 2HG LYS 23 2HG LYS 23 -0.315 -6.223 6.315
174 1HD LYS 23 1HD LYS 23 -2.268 -5.461 7.334
175 2HD LYS 23 2HD LYS 23 -1.620 -4.051 6.480
176 1HE LYS 23 1HE LYS 23 -3.260 -4.344 4.678
177 2HE LYS 23 2HE LYS 23 -3.786 -5.893 5.356
178 1HZ LYS 23 1HZ LYS 23 -5.323 -4.139 5.923
179 2HZ LYS 23 2HZ LYS 23 -4.621 -4.715 7.286
180 3HZ LYS 23 3HZ LYS 23 -4.148 -3.266 6.670
181 H ARG 24 H ARG 24 -0.105 -6.680 1.293
182 HA ARG 24 HA ARG 24 -1.730 -9.040 1.582
183 1HB ARG 24 1HB ARG 24 -2.127 -7.516 -0.230
184 2HB ARG 24 2HB ARG 24 -0.500 -7.687 -0.841
185 1HG ARG 24 1HG ARG 24 -1.935 -10.286 -0.746
186 2HG ARG 24 2HG ARG 24 -2.782 -9.064 -1.671
187 1HD ARG 24 1HD ARG 24 -1.367 -10.268 -3.189
188 2HD ARG 24 2HD ARG 24 -0.783 -8.621 -3.038
189 HE ARG 24 HE ARG 24 1.157 -9.331 -1.988
190 1HH1 ARG 24 1HH1 ARG 24 -1.024 -12.122 -2.209
191 2HH1 ARG 24 2HH1 ARG 24 0.217 -13.310 -2.281
192 1HH2 ARG 24 1HH2 ARG 24 2.863 -10.923 -2.143
193 2HH2 ARG 24 2HH2 ARG 24 2.485 -12.602 -2.177
194 H LEU 25 H LEU 25 1.729 -8.545 0.944
195 HA LEU 25 HA LEU 25 2.301 -11.314 0.363
196 1HB LEU 25 1HB LEU 25 3.770 -9.253 -0.059
197 2HB LEU 25 2HB LEU 25 4.204 -9.300 1.641
198 HG LEU 25 HG LEU 25 4.583 -11.702 -0.188
199 1HD1 LEU 25 1HD1 LEU 25 6.913 -10.955 -0.494
200 2HD1 LEU 25 2HD1 LEU 25 5.779 -9.774 -1.158
201 3HD1 LEU 25 3HD1 LEU 25 6.567 -9.466 0.406
202 1HD2 LEU 25 1HD2 LEU 25 4.814 -12.305 2.178
203 2HD2 LEU 25 2HD2 LEU 25 6.411 -12.254 1.461
204 3HD2 LEU 25 3HD2 LEU 25 5.866 -10.904 2.474
205 H LEU 26 H LEU 26 2.438 -9.341 3.329
206 HA LEU 26 HA LEU 26 3.170 -11.427 5.089
207 1HB LEU 26 1HB LEU 26 3.283 -9.054 5.624
208 2HB LEU 26 2HB LEU 26 1.528 -8.913 5.651
209 HG LEU 26 HG LEU 26 2.820 -10.952 7.472
210 1HD1 LEU 26 1HD1 LEU 26 3.205 -9.230 9.198
211 2HD1 LEU 26 2HD1 LEU 26 4.219 -8.957 7.782
212 3HD1 LEU 26 3HD1 LEU 26 2.772 -7.953 8.038
213 1HD2 LEU 26 1HD2 LEU 26 0.347 -10.791 7.509
214 2HD2 LEU 26 2HD2 LEU 26 1.013 -10.220 9.025
215 3HD2 LEU 26 3HD2 LEU 26 0.449 -9.042 7.822
216 H ILE 27 H ILE 27 -0.143 -10.291 4.283
217 HA ILE 27 HA ILE 27 -1.499 -12.152 5.940
218 HB ILE 27 HB ILE 27 -2.321 -10.618 3.451
219 1HG1 ILE 27 1HG1 ILE 27 -3.232 -10.362 6.361
220 2HG1 ILE 27 2HG1 ILE 27 -1.856 -9.479 5.727
221 1HG2 ILE 27 1HG2 ILE 27 -4.692 -11.247 3.934
222 2HG2 ILE 27 2HG2 ILE 27 -3.736 -12.647 3.483
223 3HG2 ILE 27 3HG2 ILE 27 -4.123 -12.371 5.188
224 1HD1 ILE 27 1HD1 ILE 27 -3.791 -8.040 5.719
225 2HD1 ILE 27 2HD1 ILE 27 -3.319 -8.379 4.038
226 3HD1 ILE 27 3HD1 ILE 27 -4.730 -9.190 4.763
227 H LEU 28 H LEU 28 -0.404 -12.483 2.496
228 HA LEU 28 HA LEU 28 -1.424 -15.160 2.204
229 1HB LEU 28 1HB LEU 28 -0.716 -13.545 0.418
230 2HB LEU 28 2HB LEU 28 0.957 -13.941 0.810
231 HG LEU 28 HG LEU 28 0.034 -15.127 -1.088
232 1HD1 LEU 28 1HD1 LEU 28 1.795 -16.170 0.477
233 2HD1 LEU 28 2HD1 LEU 28 0.502 -17.293 0.939
234 3HD1 LEU 28 3HD1 LEU 28 0.995 -17.208 -0.743
235 1HD2 LEU 28 1HD2 LEU 28 -1.755 -16.736 0.793
236 2HD2 LEU 28 2HD2 LEU 28 -2.356 -15.421 -0.213
237 3HD2 LEU 28 3HD2 LEU 28 -1.659 -16.888 -0.952
238 H LEU 29 H LEU 29 1.810 -14.011 3.206
239 HA LEU 29 HA LEU 29 2.907 -16.580 3.643
240 1HB LEU 29 1HB LEU 29 4.198 -14.519 3.631
241 2HB LEU 29 2HB LEU 29 3.456 -13.966 5.127
242 HG LEU 29 HG LEU 29 4.901 -16.627 5.145
243 1HD1 LEU 29 1HD1 LEU 29 7.049 -15.488 5.560
244 2HD1 LEU 29 2HD1 LEU 29 6.442 -15.151 3.937
245 3HD1 LEU 29 3HD1 LEU 29 6.295 -13.916 5.211
246 1HD2 LEU 29 1HD2 LEU 29 3.808 -15.866 7.250
247 2HD2 LEU 29 2HD2 LEU 29 5.555 -15.874 7.428
248 3HD2 LEU 29 3HD2 LEU 29 4.701 -14.335 7.175
249 H LEU 30 H LEU 30 0.846 -14.670 5.834
250 HA LEU 30 HA LEU 30 0.899 -16.588 7.984
251 1HB LEU 30 1HB LEU 30 0.293 -14.196 8.224
252 2HB LEU 30 2HB LEU 30 -1.133 -14.467 7.240
253 HG LEU 30 HG LEU 30 -2.067 -16.010 8.947
254 1HD1 LEU 30 1HD1 LEU 30 -0.029 -16.863 10.011
255 2HD1 LEU 30 2HD1 LEU 30 0.405 -15.232 10.572
256 3HD1 LEU 30 3HD1 LEU 30 -1.029 -16.064 11.220
257 1HD2 LEU 30 1HD2 LEU 30 -2.589 -14.281 10.609
258 2HD2 LEU 30 2HD2 LEU 30 -1.232 -13.289 10.031
259 3HD2 LEU 30 3HD2 LEU 30 -2.624 -13.615 8.969
260 H LEU 31 H LEU 31 -1.349 -15.999 5.269
261 HA LEU 31 HA LEU 31 -2.582 -18.634 5.650
262 1HB LEU 31 1HB LEU 31 -3.964 -16.871 6.740
263 2HB LEU 31 2HB LEU 31 -4.019 -15.994 5.209
264 HG LEU 31 HG LEU 31 -5.223 -17.925 4.167
265 1HD1 LEU 31 1HD1 LEU 31 -5.215 -19.054 7.004
266 2HD1 LEU 31 2HD1 LEU 31 -6.230 -19.651 5.673
267 3HD1 LEU 31 3HD1 LEU 31 -4.477 -19.795 5.569
268 1HD2 LEU 31 1HD2 LEU 31 -6.517 -16.824 6.697
269 2HD2 LEU 31 2HD2 LEU 31 -6.459 -16.016 5.113
270 3HD2 LEU 31 3HD2 LEU 31 -7.369 -17.522 5.301
271 1HN NH2 32 1HN NH2 32 -1.038 -19.174 4.008
272 2HN NH2 32 2HN NH2 32 -1.474 -18.876 2.339
Start of MODEL 9
1 1H SER 1 1H SER 1 -23.014 10.280 -2.150
2 2H SER 1 2H SER 1 -21.663 11.054 -2.668
3 3H SER 1 3H SER 1 -22.550 10.185 -3.755
4 HA SER 1 HA SER 1 -21.909 8.150 -2.740
5 1HB SER 1 1HB SER 1 -19.340 8.474 -2.894
6 2HB SER 1 2HB SER 1 -20.281 8.987 -4.299
7 HG SER 1 HG SER 1 -18.877 10.487 -2.430
8 HA PRO 2 HA PRO 2 -20.288 8.697 1.635
9 1HB PRO 2 1HB PRO 2 -17.972 7.199 1.608
10 2HB PRO 2 2HB PRO 2 -19.596 6.486 1.851
11 1HG PRO 2 1HG PRO 2 -18.008 6.689 -0.730
12 2HG PRO 2 2HG PRO 2 -18.821 5.244 -0.044
13 1HD PRO 2 1HD PRO 2 -20.024 6.727 -1.957
14 2HD PRO 2 2HD PRO 2 -20.968 6.080 -0.592
15 HA PRO 3 HA PRO 3 -17.254 11.828 0.490
16 1HB PRO 3 1HB PRO 3 -15.867 12.281 2.790
17 2HB PRO 3 2HB PRO 3 -17.609 12.668 2.654
18 1HG PRO 3 1HG PRO 3 -16.344 10.163 3.823
19 2HG PRO 3 2HG PRO 3 -17.590 11.220 4.568
20 1HD PRO 3 1HD PRO 3 -18.232 8.934 3.214
21 2HD PRO 3 2HD PRO 3 -19.279 10.385 3.150
22 H ASP 4 H ASP 4 -14.758 12.261 0.606
23 HA ASP 4 HA ASP 4 -13.228 9.815 0.075
24 1HB ASP 4 1HB ASP 4 -11.828 11.233 -1.256
25 2HB ASP 4 2HB ASP 4 -13.482 11.601 -1.737
26 H TYR 5 H TYR 5 -10.646 11.115 0.583
27 HA TYR 5 HA TYR 5 -10.684 12.256 3.170
28 1HB TYR 5 1HB TYR 5 -8.949 10.661 3.816
29 2HB TYR 5 2HB TYR 5 -10.540 9.913 3.778
30 HD1 TYR 5 HD1 TYR 5 -7.100 9.822 2.585
31 HD2 TYR 5 HD2 TYR 5 -11.080 8.357 1.833
32 HE1 TYR 5 HE1 TYR 5 -6.162 8.026 1.137
33 HE2 TYR 5 HE2 TYR 5 -10.171 6.583 0.379
34 HH TYR 5 HH TYR 5 -8.261 5.673 -0.541
35 H SER 6 H SER 6 -8.580 13.228 3.463
36 HA SER 6 HA SER 6 -7.396 14.414 1.189
37 1HB SER 6 1HB SER 6 -6.443 14.493 4.077
38 2HB SER 6 2HB SER 6 -6.229 15.725 2.823
39 HG SER 6 HG SER 6 -8.589 15.911 2.852
40 H ALA 7 H ALA 7 -7.015 12.162 0.507
41 HA ALA 7 HA ALA 7 -5.131 10.347 1.164
42 1HB ALA 7 1HB ALA 7 -4.853 9.804 -1.232
43 2HB ALA 7 2HB ALA 7 -6.549 10.167 -0.848
44 3HB ALA 7 3HB ALA 7 -5.548 11.380 -1.674
45 H ALA 8 H ALA 8 -3.069 10.263 1.567
46 HA ALA 8 HA ALA 8 -1.310 12.327 1.802
47 1HB ALA 8 1HB ALA 8 -0.712 9.371 1.264
48 2HB ALA 8 2HB ALA 8 0.420 10.502 2.006
49 3HB ALA 8 3HB ALA 8 -1.079 10.093 2.850
50 HA PRO 9 HA PRO 9 0.511 13.280 -2.152
51 1HB PRO 9 1HB PRO 9 3.271 13.184 -1.675
52 2HB PRO 9 2HB PRO 9 2.198 14.568 -1.314
53 1HG PRO 9 1HG PRO 9 3.127 12.375 0.553
54 2HG PRO 9 2HG PRO 9 3.049 14.140 0.861
55 1HD PRO 9 1HD PRO 9 1.119 12.511 1.780
56 2HD PRO 9 2HD PRO 9 0.676 14.083 1.064
57 H ARG 10 H ARG 10 1.420 12.233 -3.982
58 HA ARG 10 HA ARG 10 2.750 9.772 -3.893
59 1HB ARG 10 1HB ARG 10 0.879 8.526 -5.158
60 2HB ARG 10 2HB ARG 10 0.928 8.528 -3.414
61 1HG ARG 10 1HG ARG 10 -1.329 8.726 -4.655
62 2HG ARG 10 2HG ARG 10 -1.025 9.573 -3.175
63 1HD ARG 10 1HD ARG 10 -0.441 11.419 -5.317
64 2HD ARG 10 2HD ARG 10 -1.957 10.596 -5.684
65 HE ARG 10 HE ARG 10 -1.794 11.432 -2.917
66 1HH1 ARG 10 1HH1 ARG 10 -2.554 12.764 -6.118
67 2HH1 ARG 10 2HH1 ARG 10 -3.636 13.966 -5.505
68 1HH2 ARG 10 1HH2 ARG 10 -3.224 13.003 -2.096
69 2HH2 ARG 10 2HH2 ARG 10 -4.021 14.099 -3.138
70 H GLY 11 H GLY 11 3.278 9.044 -6.088
71 1HA GLY 11 1HA GLY 11 3.979 9.442 -8.213
72 2HA GLY 11 2HA GLY 11 2.753 10.709 -8.389
73 H ARG 12 H ARG 12 4.575 11.421 -5.660
74 HA ARG 12 HA ARG 12 6.982 12.488 -6.619
75 1HB ARG 12 1HB ARG 12 4.719 14.424 -5.857
76 2HB ARG 12 2HB ARG 12 6.436 14.810 -5.709
77 1HG ARG 12 1HG ARG 12 6.680 14.345 -8.191
78 2HG ARG 12 2HG ARG 12 4.906 14.254 -8.274
79 1HD ARG 12 1HD ARG 12 4.717 16.548 -7.427
80 2HD ARG 12 2HD ARG 12 6.466 16.653 -7.232
81 HE ARG 12 HE ARG 12 5.016 16.341 -9.825
82 1HH1 ARG 12 1HH1 ARG 12 7.806 17.687 -8.080
83 2HH1 ARG 12 2HH1 ARG 12 8.474 18.485 -9.452
84 1HH2 ARG 12 1HH2 ARG 12 5.894 17.424 -11.666
85 2HH2 ARG 12 2HH2 ARG 12 7.345 18.332 -11.539
86 H PHE 13 H PHE 13 7.973 11.686 -4.964
87 HA PHE 13 HA PHE 13 8.339 10.603 -2.893
88 1HB PHE 13 1HB PHE 13 8.332 13.594 -2.447
89 2HB PHE 13 2HB PHE 13 9.178 12.421 -1.437
90 HD1 PHE 13 HD1 PHE 13 9.468 14.588 -4.265
91 HD2 PHE 13 HD2 PHE 13 10.920 10.855 -2.653
92 HE1 PHE 13 HE1 PHE 13 11.435 14.688 -5.780
93 HE2 PHE 13 HE2 PHE 13 12.873 10.965 -4.174
94 HZ PHE 13 HZ PHE 13 13.133 12.875 -5.738
95 H GLY 14 H GLY 14 6.258 9.482 -2.434
96 1HA GLY 14 1HA GLY 14 4.961 10.525 -0.077
97 2HA GLY 14 2HA GLY 14 3.981 10.617 -1.542
98 H ILE 15 H ILE 15 2.734 9.119 0.039
99 HA ILE 15 HA ILE 15 3.630 6.265 -0.042
100 HB ILE 15 HB ILE 15 2.188 7.850 2.095
101 1HG1 ILE 15 1HG1 ILE 15 4.200 6.512 3.374
102 2HG1 ILE 15 2HG1 ILE 15 4.952 6.705 1.799
103 1HG2 ILE 15 1HG2 ILE 15 2.475 4.838 1.876
104 2HG2 ILE 15 2HG2 ILE 15 2.122 5.692 3.397
105 3HG2 ILE 15 3HG2 ILE 15 1.002 5.787 2.050
106 1HD1 ILE 15 1HD1 ILE 15 3.811 8.942 3.542
107 2HD1 ILE 15 2HD1 ILE 15 5.526 8.526 3.368
108 3HD1 ILE 15 3HD1 ILE 15 4.637 9.181 1.986
109 HA PRO 16 HA PRO 16 -0.374 6.234 -2.221
110 1HB PRO 16 1HB PRO 16 0.212 4.320 -4.091
111 2HB PRO 16 2HB PRO 16 0.755 6.012 -4.279
112 1HG PRO 16 1HG PRO 16 2.330 3.666 -3.186
113 2HG PRO 16 2HG PRO 16 2.837 4.846 -4.435
114 1HD PRO 16 1HD PRO 16 3.555 5.107 -1.813
115 2HD PRO 16 2HD PRO 16 3.200 6.532 -2.827
116 H PHE 17 H PHE 17 -1.427 3.716 -2.760
117 HA PHE 17 HA PHE 17 -1.792 2.454 -0.235
118 1HB PHE 17 1HB PHE 17 -3.115 0.837 -1.625
119 2HB PHE 17 2HB PHE 17 -3.539 2.515 -1.860
120 HD1 PHE 17 HD1 PHE 17 -1.635 -0.342 -3.413
121 HD2 PHE 17 HD2 PHE 17 -3.446 3.539 -4.024
122 HE1 PHE 17 HE1 PHE 17 -1.238 -0.533 -5.835
123 HE2 PHE 17 HE2 PHE 17 -3.049 3.324 -6.461
124 HZ PHE 17 HZ PHE 17 -1.938 1.296 -7.371
125 H PHE 18 H PHE 18 1.109 2.377 -1.236
126 HA PHE 18 HA PHE 18 1.820 -0.077 -2.331
127 1HB PHE 18 1HB PHE 18 4.036 0.393 -1.869
128 2HB PHE 18 2HB PHE 18 3.294 1.961 -2.028
129 HD1 PHE 18 HD1 PHE 18 3.370 3.582 -0.192
130 HD2 PHE 18 HD2 PHE 18 4.769 -0.466 0.324
131 HE1 PHE 18 HE1 PHE 18 4.610 4.243 1.867
132 HE2 PHE 18 HE2 PHE 18 5.909 0.192 2.420
133 HZ PHE 18 HZ PHE 18 5.833 2.554 3.187
134 HA PRO 19 HA PRO 19 2.551 -1.954 2.007
135 1HB PRO 19 1HB PRO 19 0.775 -1.442 4.059
136 2HB PRO 19 2HB PRO 19 2.333 -0.599 3.805
137 1HG PRO 19 1HG PRO 19 -0.427 0.276 2.896
138 2HG PRO 19 2HG PRO 19 0.812 1.241 3.768
139 1HD PRO 19 1HD PRO 19 0.569 1.470 1.143
140 2HD PRO 19 2HD PRO 19 2.195 1.353 1.854
141 H VAL 20 H VAL 20 -0.480 -1.610 0.350
142 HA VAL 20 HA VAL 20 -1.996 -3.786 1.308
143 HB VAL 20 HB VAL 20 -1.532 -2.428 -1.389
144 1HG1 VAL 20 1HG1 VAL 20 -3.340 -4.814 -0.977
145 2HG1 VAL 20 2HG1 VAL 20 -3.502 -3.630 -2.319
146 3HG1 VAL 20 3HG1 VAL 20 -2.052 -4.585 -2.181
147 1HG2 VAL 20 1HG2 VAL 20 -2.839 -1.236 0.378
148 2HG2 VAL 20 2HG2 VAL 20 -3.817 -1.600 -1.047
149 3HG2 VAL 20 3HG2 VAL 20 -3.990 -2.590 0.418
150 H HIS 21 H HIS 21 0.324 -3.827 -1.362
151 HA HIS 21 HA HIS 21 0.151 -6.547 -1.962
152 1HB HIS 21 1HB HIS 21 2.295 -4.454 -2.198
153 2HB HIS 21 2HB HIS 21 2.399 -5.981 -3.085
154 HD1 HIS 21 HD1 HIS 21 0.143 -6.094 -5.023
155 HD2 HIS 21 HD2 HIS 21 1.187 -2.462 -3.144
156 HE1 HIS 21 HE1 HIS 21 -1.047 -4.245 -6.300
157 H LEU 22 H LEU 22 2.367 -4.854 0.164
158 HA LEU 22 HA LEU 22 3.928 -7.118 0.990
159 1HB LEU 22 1HB LEU 22 3.503 -4.394 2.300
160 2HB LEU 22 2HB LEU 22 4.669 -5.593 2.800
161 HG LEU 22 HG LEU 22 6.024 -4.214 1.613
162 1HD1 LEU 22 1HD1 LEU 22 5.101 -5.985 -0.693
163 2HD1 LEU 22 2HD1 LEU 22 6.669 -5.191 -0.507
164 3HD1 LEU 22 3HD1 LEU 22 6.214 -6.493 0.604
165 1HD2 LEU 22 1HD2 LEU 22 4.270 -2.687 0.808
166 2HD2 LEU 22 2HD2 LEU 22 5.514 -2.988 -0.406
167 3HD2 LEU 22 3HD2 LEU 22 3.937 -3.774 -0.557
168 H LYS 23 H LYS 23 1.142 -5.385 2.639
169 HA LYS 23 HA LYS 23 1.198 -7.250 4.817
170 1HB LYS 23 1HB LYS 23 0.031 -4.975 4.783
171 2HB LYS 23 2HB LYS 23 -1.273 -5.744 3.858
172 1HG LYS 23 1HG LYS 23 -1.559 -7.400 5.738
173 2HG LYS 23 2HG LYS 23 -0.235 -6.612 6.608
174 1HD LYS 23 1HD LYS 23 -1.617 -4.485 6.587
175 2HD LYS 23 2HD LYS 23 -2.963 -5.425 5.936
176 1HE LYS 23 1HE LYS 23 -1.513 -5.908 8.589
177 2HE LYS 23 2HE LYS 23 -3.079 -5.114 8.412
178 1HZ LYS 23 1HZ LYS 23 -3.981 -7.193 7.576
179 2HZ LYS 23 2HZ LYS 23 -2.517 -7.938 7.724
180 3HZ LYS 23 3HZ LYS 23 -3.315 -7.413 9.058
181 H ARG 24 H ARG 24 -0.177 -7.394 1.572
182 HA ARG 24 HA ARG 24 -1.765 -9.743 2.039
183 1HB ARG 24 1HB ARG 24 -2.308 -8.405 0.189
184 2HB ARG 24 2HB ARG 24 -0.684 -8.384 -0.433
185 1HG ARG 24 1HG ARG 24 -1.753 -11.146 -0.345
186 2HG ARG 24 2HG ARG 24 -2.819 -10.058 -1.203
187 1HD ARG 24 1HD ARG 24 -1.179 -11.143 -2.705
188 2HD ARG 24 2HD ARG 24 -1.113 -9.388 -2.741
189 HE ARG 24 HE ARG 24 0.905 -9.387 -1.455
190 1HH1 ARG 24 1HH1 ARG 24 0.025 -12.683 -2.458
191 2HH1 ARG 24 2HH1 ARG 24 1.647 -13.249 -2.552
192 1HH2 ARG 24 1HH2 ARG 24 3.024 -10.088 -1.597
193 2HH2 ARG 24 2HH2 ARG 24 3.426 -11.706 -2.057
194 H LEU 25 H LEU 25 1.722 -9.292 1.445
195 HA LEU 25 HA LEU 25 2.245 -12.096 0.930
196 1HB LEU 25 1HB LEU 25 3.873 -10.210 0.475
197 2HB LEU 25 2HB LEU 25 4.088 -9.995 2.184
198 HG LEU 25 HG LEU 25 5.874 -11.251 0.969
199 1HD1 LEU 25 1HD1 LEU 25 4.758 -12.837 3.307
200 2HD1 LEU 25 2HD1 LEU 25 6.429 -12.707 2.764
201 3HD1 LEU 25 3HD1 LEU 25 5.630 -11.293 3.457
202 1HD2 LEU 25 1HD2 LEU 25 5.649 -13.615 0.521
203 2HD2 LEU 25 2HD2 LEU 25 3.961 -13.615 1.039
204 3HD2 LEU 25 3HD2 LEU 25 4.454 -12.725 -0.428
205 H LEU 26 H LEU 26 2.315 -9.982 3.770
206 HA LEU 26 HA LEU 26 2.951 -11.974 5.702
207 1HB LEU 26 1HB LEU 26 3.164 -9.625 6.144
208 2HB LEU 26 2HB LEU 26 1.433 -9.350 6.015
209 HG LEU 26 HG LEU 26 2.369 -11.363 8.065
210 1HD1 LEU 26 1HD1 LEU 26 3.960 -9.522 8.369
211 2HD1 LEU 26 2HD1 LEU 26 2.630 -8.343 8.432
212 3HD1 LEU 26 3HD1 LEU 26 2.813 -9.574 9.706
213 1HD2 LEU 26 1HD2 LEU 26 0.233 -9.165 8.103
214 2HD2 LEU 26 2HD2 LEU 26 -0.068 -10.902 7.843
215 3HD2 LEU 26 3HD2 LEU 26 0.536 -10.349 9.397
216 H ILE 27 H ILE 27 -0.283 -10.887 4.591
217 HA ILE 27 HA ILE 27 -1.778 -12.595 6.317
218 HB ILE 27 HB ILE 27 -2.403 -11.273 3.655
219 1HG1 ILE 27 1HG1 ILE 27 -3.552 -10.714 6.428
220 2HG1 ILE 27 2HG1 ILE 27 -2.071 -9.954 5.887
221 1HG2 ILE 27 1HG2 ILE 27 -3.856 -13.256 3.770
222 2HG2 ILE 27 2HG2 ILE 27 -4.333 -12.848 5.423
223 3HG2 ILE 27 3HG2 ILE 27 -4.816 -11.816 4.059
224 1HD1 ILE 27 1HD1 ILE 27 -3.270 -8.960 3.938
225 2HD1 ILE 27 2HD1 ILE 27 -4.793 -9.632 4.564
226 3HD1 ILE 27 3HD1 ILE 27 -3.906 -8.429 5.507
227 H LEU 28 H LEU 28 -0.453 -13.177 2.984
228 HA LEU 28 HA LEU 28 -1.474 -15.853 2.791
229 1HB LEU 28 1HB LEU 28 -0.598 -14.353 0.965
230 2HB LEU 28 2HB LEU 28 1.028 -14.749 1.512
231 HG LEU 28 HG LEU 28 0.247 -16.036 -0.386
232 1HD1 LEU 28 1HD1 LEU 28 1.856 -17.007 1.366
233 2HD1 LEU 28 2HD1 LEU 28 0.505 -18.066 1.819
234 3HD1 LEU 28 3HD1 LEU 28 1.120 -18.117 0.175
235 1HD2 LEU 28 1HD2 LEU 28 -2.206 -16.236 0.280
236 2HD2 LEU 28 2HD2 LEU 28 -1.479 -17.762 -0.282
237 3HD2 LEU 28 3HD2 LEU 28 -1.735 -17.486 1.435
238 H LEU 29 H LEU 29 1.686 -14.659 3.956
239 HA LEU 29 HA LEU 29 2.717 -17.181 4.659
240 1HB LEU 29 1HB LEU 29 4.017 -15.057 4.677
241 2HB LEU 29 2HB LEU 29 3.112 -14.519 6.093
242 HG LEU 29 HG LEU 29 4.067 -16.392 7.431
243 1HD1 LEU 29 1HD1 LEU 29 4.533 -18.051 5.677
244 2HD1 LEU 29 2HD1 LEU 29 5.704 -16.953 4.905
245 3HD1 LEU 29 3HD1 LEU 29 6.025 -17.641 6.514
246 1HD2 LEU 29 1HD2 LEU 29 6.332 -15.460 7.586
247 2HD2 LEU 29 2HD2 LEU 29 6.129 -14.649 6.016
248 3HD2 LEU 29 3HD2 LEU 29 5.129 -14.177 7.413
249 H LEU 30 H LEU 30 0.443 -15.168 6.518
250 HA LEU 30 HA LEU 30 0.360 -16.951 8.799
251 1HB LEU 30 1HB LEU 30 -0.264 -14.546 8.862
252 2HB LEU 30 2HB LEU 30 -1.622 -14.886 7.805
253 HG LEU 30 HG LEU 30 -2.649 -16.349 9.530
254 1HD1 LEU 30 1HD1 LEU 30 -0.678 -17.108 10.775
255 2HD1 LEU 30 2HD1 LEU 30 -0.300 -15.441 11.268
256 3HD1 LEU 30 3HD1 LEU 30 -1.764 -16.257 11.867
257 1HD2 LEU 30 1HD2 LEU 30 -3.306 -14.543 11.051
258 2HD2 LEU 30 2HD2 LEU 30 -1.926 -13.559 10.513
259 3HD2 LEU 30 3HD2 LEU 30 -3.238 -13.969 9.379
260 H LEU 31 H LEU 31 -1.662 -16.516 5.887
261 HA LEU 31 HA LEU 31 -2.915 -19.136 6.294
262 1HB LEU 31 1HB LEU 31 -4.382 -17.356 7.251
263 2HB LEU 31 2HB LEU 31 -4.350 -16.525 5.695
264 HG LEU 31 HG LEU 31 -5.443 -18.544 4.647
265 1HD1 LEU 31 1HD1 LEU 31 -5.707 -19.469 7.546
266 2HD1 LEU 31 2HD1 LEU 31 -6.570 -20.174 6.162
267 3HD1 LEU 31 3HD1 LEU 31 -4.814 -20.300 6.256
268 1HD2 LEU 31 1HD2 LEU 31 -7.678 -18.074 5.567
269 2HD2 LEU 31 2HD2 LEU 31 -6.944 -17.266 6.971
270 3HD2 LEU 31 3HD2 LEU 31 -6.754 -16.582 5.339
271 1HN NH2 32 1HN NH2 32 -1.288 -19.710 4.733
272 2HN NH2 32 2HN NH2 32 -1.640 -19.441 3.039
Start of MODEL 10
1 1H SER 1 1H SER 1 -8.547 19.436 -11.368
2 2H SER 1 2H SER 1 -8.186 20.955 -10.774
3 3H SER 1 3H SER 1 -7.122 19.722 -10.582
4 HA SER 1 HA SER 1 -9.764 19.773 -9.343
5 1HB SER 1 1HB SER 1 -8.723 17.849 -8.032
6 2HB SER 1 2HB SER 1 -8.947 17.513 -9.754
7 HG SER 1 HG SER 1 -6.619 17.910 -8.277
8 HA PRO 2 HA PRO 2 -7.276 21.807 -5.974
9 1HB PRO 2 1HB PRO 2 -8.021 20.364 -3.749
10 2HB PRO 2 2HB PRO 2 -9.033 21.665 -4.447
11 1HG PRO 2 1HG PRO 2 -9.249 18.672 -4.906
12 2HG PRO 2 2HG PRO 2 -10.559 19.822 -4.482
13 1HD PRO 2 1HD PRO 2 -10.130 19.057 -7.046
14 2HD PRO 2 2HD PRO 2 -10.586 20.736 -6.662
15 HA PRO 3 HA PRO 3 -4.011 18.707 -5.801
16 1HB PRO 3 1HB PRO 3 -2.573 19.367 -3.568
17 2HB PRO 3 2HB PRO 3 -2.618 20.409 -5.023
18 1HG PRO 3 1HG PRO 3 -4.266 20.674 -2.490
19 2HG PRO 3 2HG PRO 3 -3.351 21.949 -3.350
20 1HD PRO 3 1HD PRO 3 -6.038 21.577 -3.700
21 2HD PRO 3 2HD PRO 3 -4.980 22.109 -5.041
22 H ASP 4 H ASP 4 -3.029 16.975 -4.136
23 HA ASP 4 HA ASP 4 -5.276 15.688 -2.778
24 1HB ASP 4 1HB ASP 4 -3.829 13.709 -2.872
25 2HB ASP 4 2HB ASP 4 -4.246 14.381 -4.438
26 H TYR 5 H TYR 5 -4.792 17.734 -1.360
27 HA TYR 5 HA TYR 5 -2.632 17.698 0.518
28 1HB TYR 5 1HB TYR 5 -3.775 19.568 1.524
29 2HB TYR 5 2HB TYR 5 -3.828 19.727 -0.215
30 HD1 TYR 5 HD1 TYR 5 -5.994 19.497 -1.451
31 HD2 TYR 5 HD2 TYR 5 -5.825 19.262 2.852
32 HE1 TYR 5 HE1 TYR 5 -8.453 19.711 -1.343
33 HE2 TYR 5 HE2 TYR 5 -8.270 19.474 2.967
34 HH TYR 5 HH TYR 5 -10.244 19.702 1.744
35 H SER 6 H SER 6 -4.454 15.163 0.515
36 HA SER 6 HA SER 6 -4.962 14.986 3.402
37 1HB SER 6 1HB SER 6 -6.948 14.552 1.147
38 2HB SER 6 2HB SER 6 -7.148 13.959 2.796
39 HG SER 6 HG SER 6 -6.444 16.600 2.711
40 H ALA 7 H ALA 7 -6.014 12.750 0.967
41 HA ALA 7 HA ALA 7 -4.535 10.518 1.973
42 1HB ALA 7 1HB ALA 7 -5.663 11.000 -0.829
43 2HB ALA 7 2HB ALA 7 -5.086 9.442 -0.204
44 3HB ALA 7 3HB ALA 7 -6.511 10.211 0.525
45 H ALA 8 H ALA 8 -2.410 10.391 2.016
46 HA ALA 8 HA ALA 8 -0.571 12.092 1.262
47 1HB ALA 8 1HB ALA 8 1.111 10.273 1.520
48 2HB ALA 8 2HB ALA 8 -0.165 10.190 2.749
49 3HB ALA 8 3HB ALA 8 -0.186 9.073 1.359
50 HA PRO 9 HA PRO 9 -0.020 12.221 -3.019
51 1HB PRO 9 1HB PRO 9 2.558 13.169 -3.321
52 2HB PRO 9 2HB PRO 9 1.183 14.145 -2.722
53 1HG PRO 9 1HG PRO 9 3.275 12.668 -1.091
54 2HG PRO 9 2HG PRO 9 2.721 14.365 -0.908
55 1HD PRO 9 1HD PRO 9 1.711 12.391 0.643
56 2HD PRO 9 2HD PRO 9 0.646 13.684 0.014
57 H ARG 10 H ARG 10 1.416 11.560 -4.881
58 HA ARG 10 HA ARG 10 2.972 9.126 -4.473
59 1HB ARG 10 1HB ARG 10 1.500 7.898 -6.176
60 2HB ARG 10 2HB ARG 10 0.917 8.013 -4.523
61 1HG ARG 10 1HG ARG 10 -0.041 10.110 -6.461
62 2HG ARG 10 2HG ARG 10 -0.668 8.467 -6.636
63 1HD ARG 10 1HD ARG 10 -1.559 8.429 -4.403
64 2HD ARG 10 2HD ARG 10 -0.724 9.917 -3.971
65 HE ARG 10 HE ARG 10 -2.509 10.287 -6.199
66 1HH1 ARG 10 1HH1 ARG 10 -2.194 10.386 -2.650
67 2HH1 ARG 10 2HH1 ARG 10 -3.338 11.581 -2.421
68 1HH2 ARG 10 1HH2 ARG 10 -4.184 11.836 -5.884
69 2HH2 ARG 10 2HH2 ARG 10 -4.607 12.312 -4.284
70 H GLY 11 H GLY 11 4.087 8.532 -6.478
71 1HA GLY 11 1HA GLY 11 5.322 9.054 -8.316
72 2HA GLY 11 2HA GLY 11 4.070 10.203 -8.814
73 H ARG 12 H ARG 12 5.003 11.061 -5.736
74 HA ARG 12 HA ARG 12 7.493 12.453 -6.237
75 1HB ARG 12 1HB ARG 12 4.885 13.950 -5.643
76 2HB ARG 12 2HB ARG 12 6.495 14.598 -5.316
77 1HG ARG 12 1HG ARG 12 7.055 14.359 -7.749
78 2HG ARG 12 2HG ARG 12 5.374 13.868 -8.052
79 1HD ARG 12 1HD ARG 12 4.548 16.005 -7.192
80 2HD ARG 12 2HD ARG 12 6.203 16.503 -6.773
81 HE ARG 12 HE ARG 12 6.124 15.796 -9.508
82 1HH1 ARG 12 1HH1 ARG 12 4.905 18.352 -7.389
83 2HH1 ARG 12 2HH1 ARG 12 4.943 19.604 -8.573
84 1HH2 ARG 12 1HH2 ARG 12 6.196 17.449 -11.138
85 2HH2 ARG 12 2HH2 ARG 12 5.697 19.056 -10.788
86 H PHE 13 H PHE 13 8.291 11.215 -4.657
87 HA PHE 13 HA PHE 13 8.399 9.983 -2.649
88 1HB PHE 13 1HB PHE 13 8.814 12.918 -2.039
89 2HB PHE 13 2HB PHE 13 9.490 11.568 -1.130
90 HD1 PHE 13 HD1 PHE 13 11.056 9.914 -2.374
91 HD2 PHE 13 HD2 PHE 13 9.970 13.789 -3.941
92 HE1 PHE 13 HE1 PHE 13 12.969 9.821 -3.948
93 HE2 PHE 13 HE2 PHE 13 11.891 13.682 -5.511
94 HZ PHE 13 HZ PHE 13 13.386 11.699 -5.520
95 H GLY 14 H GLY 14 6.199 9.143 -2.273
96 1HA GLY 14 1HA GLY 14 4.952 10.282 0.088
97 2HA GLY 14 2HA GLY 14 3.999 10.389 -1.394
98 H ILE 15 H ILE 15 2.606 8.938 0.065
99 HA ILE 15 HA ILE 15 3.468 6.062 0.126
100 HB ILE 15 HB ILE 15 1.732 7.612 2.062
101 1HG1 ILE 15 1HG1 ILE 15 4.523 6.446 2.473
102 2HG1 ILE 15 2HG1 ILE 15 4.149 8.156 2.297
103 1HG2 ILE 15 1HG2 ILE 15 1.618 5.555 3.376
104 2HG2 ILE 15 2HG2 ILE 15 0.994 5.245 1.770
105 3HG2 ILE 15 3HG2 ILE 15 2.619 4.699 2.187
106 1HD1 ILE 15 1HD1 ILE 15 4.454 7.743 4.613
107 2HD1 ILE 15 2HD1 ILE 15 2.724 8.043 4.353
108 3HD1 ILE 15 3HD1 ILE 15 3.324 6.384 4.613
109 HA PRO 16 HA PRO 16 -0.298 6.071 -2.453
110 1HB PRO 16 1HB PRO 16 0.531 4.080 -4.209
111 2HB PRO 16 2HB PRO 16 0.904 5.802 -4.436
112 1HG PRO 16 1HG PRO 16 2.651 3.659 -3.226
113 2HG PRO 16 2HG PRO 16 3.102 4.910 -4.425
114 1HD PRO 16 1HD PRO 16 3.653 5.198 -1.778
115 2HD PRO 16 2HD PRO 16 3.171 6.598 -2.752
116 H PHE 17 H PHE 17 -1.287 3.578 -3.101
117 HA PHE 17 HA PHE 17 -1.895 2.284 -0.643
118 1HB PHE 17 1HB PHE 17 -3.030 0.649 -2.204
119 2HB PHE 17 2HB PHE 17 -3.484 2.325 -2.410
120 HD1 PHE 17 HD1 PHE 17 -3.152 3.482 -4.501
121 HD2 PHE 17 HD2 PHE 17 -1.419 -0.432 -3.891
122 HE1 PHE 17 HE1 PHE 17 -2.501 3.386 -6.890
123 HE2 PHE 17 HE2 PHE 17 -0.776 -0.510 -6.273
124 HZ PHE 17 HZ PHE 17 -1.306 1.396 -7.780
125 H PHE 18 H PHE 18 1.093 2.249 -1.393
126 HA PHE 18 HA PHE 18 1.886 -0.261 -2.350
127 1HB PHE 18 1HB PHE 18 4.070 0.265 -1.805
128 2HB PHE 18 2HB PHE 18 3.320 1.811 -2.086
129 HD1 PHE 18 HD1 PHE 18 3.473 3.562 -0.460
130 HD2 PHE 18 HD2 PHE 18 4.601 -0.474 0.536
131 HE1 PHE 18 HE1 PHE 18 4.745 4.380 1.506
132 HE2 PHE 18 HE2 PHE 18 5.742 0.344 2.574
133 HZ PHE 18 HZ PHE 18 5.825 2.780 3.054
134 HA PRO 19 HA PRO 19 2.278 -1.919 2.081
135 1HB PRO 19 1HB PRO 19 0.677 -1.077 4.151
136 2HB PRO 19 2HB PRO 19 2.234 -0.312 3.718
137 1HG PRO 19 1HG PRO 19 -0.549 0.538 2.849
138 2HG PRO 19 2HG PRO 19 0.736 1.550 3.591
139 1HD PRO 19 1HD PRO 19 0.385 1.500 0.950
140 2HD PRO 19 2HD PRO 19 2.029 1.510 1.632
141 H VAL 20 H VAL 20 -0.382 -1.725 0.109
142 HA VAL 20 HA VAL 20 -2.108 -3.702 1.399
143 HB VAL 20 HB VAL 20 -1.797 -2.432 -1.370
144 1HG1 VAL 20 1HG1 VAL 20 -3.626 -4.741 -0.731
145 2HG1 VAL 20 2HG1 VAL 20 -3.856 -3.607 -2.107
146 3HG1 VAL 20 3HG1 VAL 20 -2.422 -4.592 -2.031
147 1HG2 VAL 20 1HG2 VAL 20 -4.114 -2.407 0.620
148 2HG2 VAL 20 2HG2 VAL 20 -2.924 -1.098 0.403
149 3HG2 VAL 20 3HG2 VAL 20 -4.027 -1.511 -0.910
150 H HIS 21 H HIS 21 -0.044 -3.787 -1.466
151 HA HIS 21 HA HIS 21 -0.185 -6.499 -1.978
152 1HB HIS 21 1HB HIS 21 1.913 -4.396 -2.413
153 2HB HIS 21 2HB HIS 21 1.954 -5.935 -3.289
154 HD1 HIS 21 HD1 HIS 21 -0.563 -6.102 -4.935
155 HD2 HIS 21 HD2 HIS 21 0.840 -2.424 -3.404
156 HE1 HIS 21 HE1 HIS 21 -1.805 -4.271 -6.185
157 H LEU 22 H LEU 22 2.273 -4.792 -0.064
158 HA LEU 22 HA LEU 22 3.775 -7.138 0.623
159 1HB LEU 22 1HB LEU 22 3.600 -4.436 2.025
160 2HB LEU 22 2HB LEU 22 4.748 -5.710 2.357
161 HG LEU 22 HG LEU 22 6.047 -4.332 1.094
162 1HD1 LEU 22 1HD1 LEU 22 6.433 -5.257 -1.112
163 2HD1 LEU 22 2HD1 LEU 22 6.030 -6.582 -0.007
164 3HD1 LEU 22 3HD1 LEU 22 4.819 -5.978 -1.167
165 1HD2 LEU 22 1HD2 LEU 22 4.224 -2.740 0.527
166 2HD2 LEU 22 2HD2 LEU 22 5.397 -2.979 -0.773
167 3HD2 LEU 22 3HD2 LEU 22 3.809 -3.750 -0.879
168 H LYS 23 H LYS 23 1.139 -5.327 2.425
169 HA LYS 23 HA LYS 23 1.384 -7.117 4.688
170 1HB LYS 23 1HB LYS 23 0.389 -4.880 4.814
171 2HB LYS 23 2HB LYS 23 -0.957 -5.413 3.768
172 1HG LYS 23 1HG LYS 23 -1.801 -6.872 5.456
173 2HG LYS 23 2HG LYS 23 -0.324 -6.752 6.417
174 1HD LYS 23 1HD LYS 23 -2.188 -5.496 7.394
175 2HD LYS 23 2HD LYS 23 -0.811 -4.464 7.048
176 1HE LYS 23 1HE LYS 23 -3.154 -4.724 5.112
177 2HE LYS 23 2HE LYS 23 -3.230 -3.645 6.507
178 1HZ LYS 23 1HZ LYS 23 -2.503 -2.461 4.569
179 2HZ LYS 23 2HZ LYS 23 -1.296 -2.484 5.679
180 3HZ LYS 23 3HZ LYS 23 -1.205 -3.439 4.343
181 H ARG 24 H ARG 24 -0.253 -7.303 1.582
182 HA ARG 24 HA ARG 24 -1.897 -9.573 2.225
183 1HB ARG 24 1HB ARG 24 -2.457 -8.263 0.348
184 2HB ARG 24 2HB ARG 24 -0.875 -8.371 -0.360
185 1HG ARG 24 1HG ARG 24 -2.859 -10.681 -0.138
186 2HG ARG 24 2HG ARG 24 -2.656 -9.639 -1.535
187 1HD ARG 24 1HD ARG 24 -0.905 -11.873 -0.596
188 2HD ARG 24 2HD ARG 24 -1.485 -11.488 -2.208
189 HE ARG 24 HE ARG 24 0.281 -9.421 -1.326
190 1HH1 ARG 24 1HH1 ARG 24 0.469 -12.820 -2.317
191 2HH1 ARG 24 2HH1 ARG 24 2.136 -12.762 -2.738
192 1HH2 ARG 24 1HH2 ARG 24 2.428 -9.309 -1.784
193 2HH2 ARG 24 2HH2 ARG 24 3.302 -10.637 -2.490
194 H LEU 25 H LEU 25 1.547 -9.262 1.416
195 HA LEU 25 HA LEU 25 1.988 -12.076 0.928
196 1HB LEU 25 1HB LEU 25 3.523 -10.050 0.395
197 2HB LEU 25 2HB LEU 25 4.020 -10.115 2.078
198 HG LEU 25 HG LEU 25 4.228 -12.503 0.199
199 1HD1 LEU 25 1HD1 LEU 25 6.594 -11.879 -0.094
200 2HD1 LEU 25 2HD1 LEU 25 5.531 -10.605 -0.704
201 3HD1 LEU 25 3HD1 LEU 25 6.343 -10.411 0.868
202 1HD2 LEU 25 1HD2 LEU 25 6.042 -13.198 1.822
203 2HD2 LEU 25 2HD2 LEU 25 5.545 -11.873 2.890
204 3HD2 LEU 25 3HD2 LEU 25 4.439 -13.216 2.524
205 H LEU 26 H LEU 26 2.223 -9.904 3.781
206 HA LEU 26 HA LEU 26 2.980 -11.949 5.612
207 1HB LEU 26 1HB LEU 26 3.254 -9.553 6.087
208 2HB LEU 26 2HB LEU 26 1.500 -9.341 6.130
209 HG LEU 26 HG LEU 26 1.350 -10.832 8.114
210 1HD1 LEU 26 1HD1 LEU 26 4.406 -10.880 7.952
211 2HD1 LEU 26 2HD1 LEU 26 3.446 -11.423 9.344
212 3HD1 LEU 26 3HD1 LEU 26 3.312 -12.279 7.815
213 1HD2 LEU 26 1HD2 LEU 26 1.565 -8.400 8.385
214 2HD2 LEU 26 2HD2 LEU 26 2.356 -9.266 9.707
215 3HD2 LEU 26 3HD2 LEU 26 3.341 -8.548 8.416
216 H ILE 27 H ILE 27 -0.288 -10.728 4.759
217 HA ILE 27 HA ILE 27 -1.729 -12.385 6.571
218 HB ILE 27 HB ILE 27 -2.472 -11.099 3.919
219 1HG1 ILE 27 1HG1 ILE 27 -3.417 -10.425 6.745
220 2HG1 ILE 27 2HG1 ILE 27 -1.965 -9.715 6.065
221 1HG2 ILE 27 1HG2 ILE 27 -3.970 -13.040 4.187
222 2HG2 ILE 27 2HG2 ILE 27 -4.337 -12.554 5.850
223 3HG2 ILE 27 3HG2 ILE 27 -4.868 -11.559 4.478
224 1HD1 ILE 27 1HD1 ILE 27 -3.806 -8.175 5.790
225 2HD1 ILE 27 2HD1 ILE 27 -3.283 -8.748 4.192
226 3HD1 ILE 27 3HD1 ILE 27 -4.772 -9.381 4.936
227 H LEU 28 H LEU 28 -0.631 -13.027 3.175
228 HA LEU 28 HA LEU 28 -1.741 -15.673 3.079
229 1HB LEU 28 1HB LEU 28 -0.965 -14.192 1.181
230 2HB LEU 28 2HB LEU 28 0.682 -14.677 1.579
231 HG LEU 28 HG LEU 28 -0.354 -15.904 -0.238
232 1HD1 LEU 28 1HD1 LEU 28 0.036 -17.966 1.919
233 2HD1 LEU 28 2HD1 LEU 28 0.459 -18.034 0.217
234 3HD1 LEU 28 3HD1 LEU 28 1.380 -16.973 1.319
235 1HD2 LEU 28 1HD2 LEU 28 -2.195 -17.291 1.768
236 2HD2 LEU 28 2HD2 LEU 28 -2.736 -15.983 0.705
237 3HD2 LEU 28 3HD2 LEU 28 -2.159 -17.528 0.031
238 H LEU 29 H LEU 29 1.507 -14.569 3.959
239 HA LEU 29 HA LEU 29 2.645 -17.043 4.639
240 1HB LEU 29 1HB LEU 29 3.828 -14.899 4.585
241 2HB LEU 29 2HB LEU 29 3.043 -14.377 6.069
242 HG LEU 29 HG LEU 29 4.691 -16.932 6.009
243 1HD1 LEU 29 1HD1 LEU 29 6.104 -15.164 5.045
244 2HD1 LEU 29 2HD1 LEU 29 5.742 -14.098 6.425
245 3HD1 LEU 29 3HD1 LEU 29 6.664 -15.600 6.662
246 1HD2 LEU 29 1HD2 LEU 29 3.459 -16.571 8.115
247 2HD2 LEU 29 2HD2 LEU 29 5.163 -16.278 8.392
248 3HD2 LEU 29 3HD2 LEU 29 4.055 -14.901 8.216
249 H LEU 30 H LEU 30 0.656 -14.933 6.765
250 HA LEU 30 HA LEU 30 0.540 -16.715 8.978
251 1HB LEU 30 1HB LEU 30 -0.076 -14.310 9.013
252 2HB LEU 30 2HB LEU 30 -1.488 -14.672 8.037
253 HG LEU 30 HG LEU 30 -2.430 -16.086 9.843
254 1HD1 LEU 30 1HD1 LEU 30 0.019 -15.173 11.433
255 2HD1 LEU 30 2HD1 LEU 30 -1.420 -15.957 12.128
256 3HD1 LEU 30 3HD1 LEU 30 -0.407 -16.846 10.997
257 1HD2 LEU 30 1HD2 LEU 30 -2.989 -14.246 11.365
258 2HD2 LEU 30 2HD2 LEU 30 -1.629 -13.286 10.739
259 3HD2 LEU 30 3HD2 LEU 30 -3.002 -13.698 9.683
260 H LEU 31 H LEU 31 -1.569 -16.377 6.152
261 HA LEU 31 HA LEU 31 -3.460 -18.416 6.799
262 1HB LEU 31 1HB LEU 31 -3.703 -16.585 5.120
263 2HB LEU 31 2HB LEU 31 -2.690 -17.514 4.026
264 HG LEU 31 HG LEU 31 -4.929 -19.103 5.167
265 1HD1 LEU 31 1HD1 LEU 31 -6.066 -16.936 5.109
266 2HD1 LEU 31 2HD1 LEU 31 -5.591 -16.707 3.409
267 3HD1 LEU 31 3HD1 LEU 31 -6.704 -18.019 3.865
268 1HD2 LEU 31 1HD2 LEU 31 -5.262 -19.771 2.852
269 2HD2 LEU 31 2HD2 LEU 31 -4.214 -18.462 2.263
270 3HD2 LEU 31 3HD2 LEU 31 -3.532 -19.813 3.192
271 1HN NH2 32 1HN NH2 32 -0.115 -18.784 5.933
272 2HN NH2 32 2HN NH2 32 -0.218 -20.500 5.594
Start of MODEL 11
1 1H SER 1 1H SER 1 -5.287 4.262 -22.534
2 2H SER 1 2H SER 1 -6.703 4.909 -23.085
3 3H SER 1 3H SER 1 -5.295 5.039 -23.978
4 HA SER 1 HA SER 1 -5.839 7.114 -22.808
5 1HB SER 1 1HB SER 1 -5.437 6.965 -20.279
6 2HB SER 1 2HB SER 1 -6.890 6.135 -20.853
7 HG SER 1 HG SER 1 -4.520 5.118 -19.824
8 HA PRO 2 HA PRO 2 -1.202 7.201 -22.218
9 1HB PRO 2 1HB PRO 2 -0.896 9.036 -20.193
10 2HB PRO 2 2HB PRO 2 -1.180 9.514 -21.896
11 1HG PRO 2 1HG PRO 2 -3.218 9.251 -19.660
12 2HG PRO 2 2HG PRO 2 -2.984 10.631 -20.784
13 1HD PRO 2 1HD PRO 2 -4.881 8.748 -21.240
14 2HD PRO 2 2HD PRO 2 -3.943 9.442 -22.587
15 HA PRO 3 HA PRO 3 -1.182 4.520 -18.587
16 1HB PRO 3 1HB PRO 3 1.400 4.603 -17.714
17 2HB PRO 3 2HB PRO 3 0.967 3.895 -19.299
18 1HG PRO 3 1HG PRO 3 1.971 6.704 -18.717
19 2HG PRO 3 2HG PRO 3 2.593 5.542 -19.936
20 1HD PRO 3 1HD PRO 3 0.803 7.504 -20.569
21 2HD PRO 3 2HD PRO 3 0.740 5.896 -21.352
22 H ASP 4 H ASP 4 -0.346 4.606 -16.130
23 HA ASP 4 HA ASP 4 -1.219 7.156 -14.948
24 1HB ASP 4 1HB ASP 4 -1.707 5.913 -13.021
25 2HB ASP 4 2HB ASP 4 -2.238 4.837 -14.308
26 H TYR 5 H TYR 5 0.301 6.821 -12.540
27 HA TYR 5 HA TYR 5 3.019 7.468 -13.494
28 1HB TYR 5 1HB TYR 5 3.436 8.143 -11.207
29 2HB TYR 5 2HB TYR 5 2.126 9.021 -11.950
30 HD1 TYR 5 HD1 TYR 5 0.981 5.766 -10.633
31 HD2 TYR 5 HD2 TYR 5 1.865 9.869 -9.612
32 HE1 TYR 5 HE1 TYR 5 -0.295 5.514 -8.572
33 HE2 TYR 5 HE2 TYR 5 0.577 9.621 -7.521
34 HH TYR 5 HH TYR 5 -1.049 8.196 -6.424
35 H SER 6 H SER 6 2.528 5.004 -14.227
36 HA SER 6 HA SER 6 2.460 2.822 -12.754
37 1HB SER 6 1HB SER 6 4.184 2.993 -15.227
38 2HB SER 6 2HB SER 6 3.155 1.657 -14.679
39 HG SER 6 HG SER 6 1.345 3.211 -14.944
40 H ALA 7 H ALA 7 5.144 4.773 -12.293
41 HA ALA 7 HA ALA 7 7.247 2.788 -11.972
42 1HB ALA 7 1HB ALA 7 6.840 5.526 -10.667
43 2HB ALA 7 2HB ALA 7 8.323 4.548 -10.567
44 3HB ALA 7 3HB ALA 7 7.791 5.194 -12.133
45 H ALA 8 H ALA 8 7.383 1.335 -10.356
46 HA ALA 8 HA ALA 8 5.404 0.407 -8.881
47 1HB ALA 8 1HB ALA 8 8.308 0.414 -7.975
48 2HB ALA 8 2HB ALA 8 7.048 -0.708 -7.415
49 3HB ALA 8 3HB ALA 8 7.553 -0.728 -9.116
50 HA PRO 9 HA PRO 9 4.719 3.779 -6.018
51 1HB PRO 9 1HB PRO 9 2.488 2.922 -4.731
52 2HB PRO 9 2HB PRO 9 2.463 3.567 -6.399
53 1HG PRO 9 1HG PRO 9 2.467 0.664 -5.528
54 2HG PRO 9 2HG PRO 9 1.490 1.442 -6.814
55 1HD PRO 9 1HD PRO 9 3.779 0.050 -7.350
56 2HD PRO 9 2HD PRO 9 3.294 1.482 -8.309
57 H ARG 10 H ARG 10 6.418 3.655 -4.737
58 HA ARG 10 HA ARG 10 6.045 2.906 -1.989
59 1HB ARG 10 1HB ARG 10 8.154 1.656 -1.756
60 2HB ARG 10 2HB ARG 10 6.864 0.828 -2.564
61 1HG ARG 10 1HG ARG 10 8.506 0.206 -4.052
62 2HG ARG 10 2HG ARG 10 8.267 1.802 -4.755
63 1HD ARG 10 1HD ARG 10 10.073 2.590 -3.000
64 2HD ARG 10 2HD ARG 10 10.394 0.880 -2.796
65 HE ARG 10 HE ARG 10 11.297 0.737 -4.919
66 1HH1 ARG 10 1HH1 ARG 10 9.997 4.041 -4.497
67 2HH1 ARG 10 2HH1 ARG 10 11.104 4.776 -5.579
68 1HH2 ARG 10 1HH2 ARG 10 12.713 1.708 -6.470
69 2HH2 ARG 10 2HH2 ARG 10 12.618 3.391 -6.801
70 H GLY 11 H GLY 11 6.703 4.591 -1.100
71 1HA GLY 11 1HA GLY 11 7.357 6.849 -0.839
72 2HA GLY 11 2HA GLY 11 8.956 6.189 -1.146
73 H ARG 12 H ARG 12 6.410 8.088 -2.392
74 HA ARG 12 HA ARG 12 7.960 8.954 -4.705
75 1HB ARG 12 1HB ARG 12 5.284 7.523 -5.120
76 2HB ARG 12 2HB ARG 12 5.960 8.713 -6.237
77 1HG ARG 12 1HG ARG 12 8.096 7.198 -6.195
78 2HG ARG 12 2HG ARG 12 7.003 5.938 -5.620
79 1HD ARG 12 1HD ARG 12 6.511 7.598 -8.154
80 2HD ARG 12 2HD ARG 12 7.468 6.128 -8.143
81 HE ARG 12 HE ARG 12 5.647 4.839 -8.098
82 1HH1 ARG 12 1HH1 ARG 12 4.400 8.127 -7.416
83 2HH1 ARG 12 2HH1 ARG 12 2.823 7.712 -8.000
84 1HH2 ARG 12 1HH2 ARG 12 3.702 4.471 -8.945
85 2HH2 ARG 12 2HH2 ARG 12 2.392 5.556 -8.801
86 H PHE 13 H PHE 13 7.995 10.872 -3.728
87 HA PHE 13 HA PHE 13 7.417 12.761 -2.603
88 1HB PHE 13 1HB PHE 13 5.571 12.555 -4.956
89 2HB PHE 13 2HB PHE 13 5.808 14.068 -4.060
90 HD1 PHE 13 HD1 PHE 13 8.357 14.807 -3.762
91 HD2 PHE 13 HD2 PHE 13 6.898 12.181 -6.865
92 HE1 PHE 13 HE1 PHE 13 10.373 15.280 -5.121
93 HE2 PHE 13 HE2 PHE 13 8.921 12.672 -8.219
94 HZ PHE 13 HZ PHE 13 10.661 14.214 -7.345
95 H GLY 14 H GLY 14 6.340 10.550 -1.282
96 1HA GLY 14 1HA GLY 14 4.782 11.284 0.711
97 2HA GLY 14 2HA GLY 14 3.574 11.156 -0.590
98 H ILE 15 H ILE 15 2.889 9.495 1.033
99 HA ILE 15 HA ILE 15 4.069 6.757 0.707
100 HB ILE 15 HB ILE 15 2.325 8.092 2.799
101 1HG1 ILE 15 1HG1 ILE 15 5.109 6.861 2.985
102 2HG1 ILE 15 2HG1 ILE 15 4.733 8.577 2.992
103 1HG2 ILE 15 1HG2 ILE 15 1.432 5.852 2.433
104 2HG2 ILE 15 2HG2 ILE 15 3.035 5.140 2.595
105 3HG2 ILE 15 3HG2 ILE 15 2.242 5.918 3.980
106 1HD1 ILE 15 1HD1 ILE 15 3.422 8.259 5.109
107 2HD1 ILE 15 2HD1 ILE 15 4.035 6.585 5.170
108 3HD1 ILE 15 3HD1 ILE 15 5.164 7.942 5.241
109 HA PRO 16 HA PRO 16 0.264 6.778 -1.823
110 1HB PRO 16 1HB PRO 16 1.034 4.880 -3.660
111 2HB PRO 16 2HB PRO 16 1.513 6.596 -3.789
112 1HG PRO 16 1HG PRO 16 3.120 4.297 -2.649
113 2HG PRO 16 2HG PRO 16 3.655 5.552 -3.810
114 1HD PRO 16 1HD PRO 16 4.171 5.732 -1.135
115 2HD PRO 16 2HD PRO 16 3.813 7.182 -2.108
116 H PHE 17 H PHE 17 -0.817 4.369 -2.464
117 HA PHE 17 HA PHE 17 -1.405 3.016 -0.047
118 1HB PHE 17 1HB PHE 17 -2.614 1.471 -1.638
119 2HB PHE 17 2HB PHE 17 -3.004 3.168 -1.795
120 HD1 PHE 17 HD1 PHE 17 -1.102 0.358 -3.389
121 HD2 PHE 17 HD2 PHE 17 -2.600 4.392 -3.842
122 HE1 PHE 17 HE1 PHE 17 -0.530 0.314 -5.788
123 HE2 PHE 17 HE2 PHE 17 -1.988 4.342 -6.239
124 HZ PHE 17 HZ PHE 17 -0.963 2.304 -7.223
125 H PHE 18 H PHE 18 1.563 2.901 -0.831
126 HA PHE 18 HA PHE 18 2.337 0.463 -1.902
127 1HB PHE 18 1HB PHE 18 4.510 0.931 -1.265
128 2HB PHE 18 2HB PHE 18 3.767 2.502 -1.422
129 HD1 PHE 18 HD1 PHE 18 4.981 -0.016 0.996
130 HD2 PHE 18 HD2 PHE 18 3.928 4.113 0.341
131 HE1 PHE 18 HE1 PHE 18 6.157 0.607 3.082
132 HE2 PHE 18 HE2 PHE 18 5.228 4.734 2.378
133 HZ PHE 18 HZ PHE 18 6.295 2.992 3.763
134 HA PRO 19 HA PRO 19 2.703 -1.459 2.461
135 1HB PRO 19 1HB PRO 19 0.866 -0.878 4.432
136 2HB PRO 19 2HB PRO 19 2.451 -0.067 4.237
137 1HG PRO 19 1HG PRO 19 -0.250 0.855 3.205
138 2HG PRO 19 2HG PRO 19 0.966 1.801 4.129
139 1HD PRO 19 1HD PRO 19 0.835 2.010 1.490
140 2HD PRO 19 2HD PRO 19 2.429 1.897 2.275
141 H VAL 20 H VAL 20 -0.250 -0.968 0.682
142 HA VAL 20 HA VAL 20 -1.878 -3.110 1.558
143 HB VAL 20 HB VAL 20 -1.303 -1.727 -1.102
144 1HG1 VAL 20 1HG1 VAL 20 -3.195 -4.045 -0.759
145 2HG1 VAL 20 2HG1 VAL 20 -3.283 -2.840 -2.091
146 3HG1 VAL 20 3HG1 VAL 20 -1.869 -3.844 -1.926
147 1HG2 VAL 20 1HG2 VAL 20 -3.797 -1.799 0.661
148 2HG2 VAL 20 2HG2 VAL 20 -2.595 -0.488 0.638
149 3HG2 VAL 20 3HG2 VAL 20 -3.566 -0.816 -0.800
150 H HIS 21 H HIS 21 0.507 -3.093 -1.044
151 HA HIS 21 HA HIS 21 0.334 -5.768 -1.775
152 1HB HIS 21 1HB HIS 21 2.490 -3.679 -1.774
153 2HB HIS 21 2HB HIS 21 2.669 -5.150 -2.732
154 HD1 HIS 21 HD1 HIS 21 0.004 -5.095 -4.468
155 HD2 HIS 21 HD2 HIS 21 2.031 -1.664 -3.070
156 HE1 HIS 21 HE1 HIS 21 -0.809 -3.143 -5.873
157 H LEU 22 H LEU 22 2.429 -4.242 0.578
158 HA LEU 22 HA LEU 22 3.930 -6.598 1.310
159 1HB LEU 22 1HB LEU 22 3.544 -3.915 2.714
160 2HB LEU 22 2HB LEU 22 4.613 -5.184 3.252
161 HG LEU 22 HG LEU 22 6.103 -3.824 2.201
162 1HD1 LEU 22 1HD1 LEU 22 5.293 -5.540 -0.188
163 2HD1 LEU 22 2HD1 LEU 22 6.878 -4.824 0.139
164 3HD1 LEU 22 3HD1 LEU 22 6.266 -6.112 1.192
165 1HD2 LEU 22 1HD2 LEU 22 5.790 -2.559 0.169
166 2HD2 LEU 22 2HD2 LEU 22 4.211 -3.302 -0.122
167 3HD2 LEU 22 3HD2 LEU 22 4.453 -2.239 1.279
168 H LYS 23 H LYS 23 1.130 -4.888 2.958
169 HA LYS 23 HA LYS 23 1.036 -6.900 5.020
170 1HB LYS 23 1HB LYS 23 -0.057 -4.740 5.326
171 2HB LYS 23 2HB LYS 23 -1.160 -5.057 3.973
172 1HG LYS 23 1HG LYS 23 -2.221 -6.863 5.135
173 2HG LYS 23 2HG LYS 23 -1.003 -6.895 6.408
174 1HD LYS 23 1HD LYS 23 -2.851 -4.513 5.964
175 2HD LYS 23 2HD LYS 23 -3.295 -5.920 6.945
176 1HE LYS 23 1HE LYS 23 -1.188 -5.569 8.304
177 2HE LYS 23 2HE LYS 23 -0.951 -4.038 7.448
178 1HZ LYS 23 1HZ LYS 23 -3.101 -3.311 8.334
179 2HZ LYS 23 2HZ LYS 23 -3.295 -4.742 9.121
180 3HZ LYS 23 3HZ LYS 23 -2.085 -3.729 9.557
181 H ARG 24 H ARG 24 -0.191 -6.786 1.695
182 HA ARG 24 HA ARG 24 -1.793 -9.162 1.931
183 1HB ARG 24 1HB ARG 24 -2.178 -7.626 0.158
184 2HB ARG 24 2HB ARG 24 -0.538 -7.705 -0.416
185 1HG ARG 24 1HG ARG 24 -2.572 -9.979 -0.566
186 2HG ARG 24 2HG ARG 24 -2.222 -8.832 -1.848
187 1HD ARG 24 1HD ARG 24 -0.600 -11.175 -0.938
188 2HD ARG 24 2HD ARG 24 -1.027 -10.651 -2.560
189 HE ARG 24 HE ARG 24 0.679 -8.702 -1.350
190 1HH1 ARG 24 1HH1 ARG 24 0.914 -12.009 -2.596
191 2HH1 ARG 24 2HH1 ARG 24 2.610 -11.944 -2.884
192 1HH2 ARG 24 1HH2 ARG 24 2.852 -8.581 -1.634
193 2HH2 ARG 24 2HH2 ARG 24 3.767 -9.853 -2.389
194 H LEU 25 H LEU 25 1.709 -8.659 1.446
195 HA LEU 25 HA LEU 25 2.250 -11.398 0.727
196 1HB LEU 25 1HB LEU 25 3.863 -9.410 0.475
197 2HB LEU 25 2HB LEU 25 4.090 -9.467 2.208
198 HG LEU 25 HG LEU 25 4.946 -11.786 2.081
199 1HD1 LEU 25 1HD1 LEU 25 4.755 -11.408 -0.948
200 2HD1 LEU 25 2HD1 LEU 25 5.631 -12.710 -0.122
201 3HD1 LEU 25 3HD1 LEU 25 3.885 -12.627 0.031
202 1HD2 LEU 25 1HD2 LEU 25 7.112 -11.196 1.081
203 2HD2 LEU 25 2HD2 LEU 25 6.381 -9.798 0.261
204 3HD2 LEU 25 3HD2 LEU 25 6.476 -9.857 2.037
205 H LEU 26 H LEU 26 2.225 -9.555 3.741
206 HA LEU 26 HA LEU 26 2.906 -11.695 5.504
207 1HB LEU 26 1HB LEU 26 2.986 -9.364 6.151
208 2HB LEU 26 2HB LEU 26 1.238 -9.196 6.042
209 HG LEU 26 HG LEU 26 2.355 -11.322 7.882
210 1HD1 LEU 26 1HD1 LEU 26 2.280 -8.344 8.550
211 2HD1 LEU 26 2HD1 LEU 26 2.603 -9.668 9.696
212 3HD1 LEU 26 3HD1 LEU 26 3.735 -9.355 8.383
213 1HD2 LEU 26 1HD2 LEU 26 -0.026 -9.401 8.094
214 2HD2 LEU 26 2HD2 LEU 26 -0.112 -11.136 7.720
215 3HD2 LEU 26 3HD2 LEU 26 0.427 -10.621 9.305
216 H ILE 27 H ILE 27 -0.349 -10.551 4.493
217 HA ILE 27 HA ILE 27 -1.817 -12.503 5.943
218 HB ILE 27 HB ILE 27 -2.441 -10.914 3.430
219 1HG1 ILE 27 1HG1 ILE 27 -3.598 -10.695 6.252
220 2HG1 ILE 27 2HG1 ILE 27 -2.176 -9.797 5.750
221 1HG2 ILE 27 1HG2 ILE 27 -4.834 -11.575 3.714
222 2HG2 ILE 27 2HG2 ILE 27 -3.828 -12.956 3.319
223 3HG2 ILE 27 3HG2 ILE 27 -4.354 -12.712 4.992
224 1HD1 ILE 27 1HD1 ILE 27 -4.098 -8.359 5.568
225 2HD1 ILE 27 2HD1 ILE 27 -3.496 -8.707 3.932
226 3HD1 ILE 27 3HD1 ILE 27 -4.958 -9.515 4.548
227 H LEU 28 H LEU 28 -0.449 -12.652 2.597
228 HA LEU 28 HA LEU 28 -1.356 -15.317 2.054
229 1HB LEU 28 1HB LEU 28 -0.491 -13.572 0.457
230 2HB LEU 28 2HB LEU 28 1.136 -13.994 0.982
231 HG LEU 28 HG LEU 28 0.421 -15.041 -1.082
232 1HD1 LEU 28 1HD1 LEU 28 1.342 -17.152 -0.783
233 2HD1 LEU 28 2HD1 LEU 28 2.028 -16.190 0.559
234 3HD1 LEU 28 3HD1 LEU 28 0.701 -17.334 0.841
235 1HD2 LEU 28 1HD2 LEU 28 -1.542 -16.774 0.491
236 2HD2 LEU 28 2HD2 LEU 28 -2.039 -15.389 -0.481
237 3HD2 LEU 28 3HD2 LEU 28 -1.263 -16.801 -1.243
238 H LEU 29 H LEU 29 1.750 -14.210 3.433
239 HA LEU 29 HA LEU 29 2.835 -16.778 3.851
240 1HB LEU 29 1HB LEU 29 4.079 -14.700 4.106
241 2HB LEU 29 2HB LEU 29 3.166 -14.254 5.542
242 HG LEU 29 HG LEU 29 4.645 -16.894 5.565
243 1HD1 LEU 29 1HD1 LEU 29 6.722 -15.769 6.269
244 2HD1 LEU 29 2HD1 LEU 29 6.289 -15.343 4.611
245 3HD1 LEU 29 3HD1 LEU 29 5.992 -14.183 5.928
246 1HD2 LEU 29 1HD2 LEU 29 4.221 -14.716 7.684
247 2HD2 LEU 29 2HD2 LEU 29 3.320 -16.240 7.578
248 3HD2 LEU 29 3HD2 LEU 29 5.038 -16.275 7.940
249 H LEU 30 H LEU 30 0.476 -15.052 5.894
250 HA LEU 30 HA LEU 30 0.376 -17.117 7.916
251 1HB LEU 30 1HB LEU 30 -0.331 -14.774 8.285
252 2HB LEU 30 2HB LEU 30 -1.635 -14.991 7.133
253 HG LEU 30 HG LEU 30 -2.695 -16.698 8.587
254 1HD1 LEU 30 1HD1 LEU 30 -1.908 -16.933 10.947
255 2HD1 LEU 30 2HD1 LEU 30 -0.760 -17.600 9.791
256 3HD1 LEU 30 3HD1 LEU 30 -0.439 -16.016 10.536
257 1HD2 LEU 30 1HD2 LEU 30 -3.452 -15.141 10.323
258 2HD2 LEU 30 2HD2 LEU 30 -2.072 -14.069 9.992
259 3HD2 LEU 30 3HD2 LEU 30 -3.327 -14.328 8.757
260 H LEU 31 H LEU 31 -1.612 -16.364 5.044
261 HA LEU 31 HA LEU 31 -2.762 -19.064 5.078
262 1HB LEU 31 1HB LEU 31 -4.332 -17.497 6.186
263 2HB LEU 31 2HB LEU 31 -4.276 -16.449 4.765
264 HG LEU 31 HG LEU 31 -5.294 -18.270 3.392
265 1HD1 LEU 31 1HD1 LEU 31 -6.343 -20.214 4.560
266 2HD1 LEU 31 2HD1 LEU 31 -4.583 -20.277 4.616
267 3HD1 LEU 31 3HD1 LEU 31 -5.492 -19.757 6.051
268 1HD2 LEU 31 1HD2 LEU 31 -6.700 -16.547 4.450
269 2HD2 LEU 31 2HD2 LEU 31 -7.548 -18.097 4.355
270 3HD2 LEU 31 3HD2 LEU 31 -6.863 -17.559 5.905
271 1HN NH2 32 1HN NH2 32 -1.086 -19.417 3.531
272 2HN NH2 32 2HN NH2 32 -1.376 -18.959 1.867
Start of MODEL 12
1 1H SER 1 1H SER 1 -15.335 22.027 -8.835
2 2H SER 1 2H SER 1 -15.907 23.497 -8.350
3 3H SER 1 3H SER 1 -15.983 23.036 -9.956
4 HA SER 1 HA SER 1 -14.152 24.616 -9.452
5 1HB SER 1 1HB SER 1 -12.178 23.398 -8.312
6 2HB SER 1 2HB SER 1 -13.555 23.778 -7.270
7 HG SER 1 HG SER 1 -12.615 21.331 -8.180
8 HA PRO 2 HA PRO 2 -12.039 22.051 -12.758
9 1HB PRO 2 1HB PRO 2 -9.372 22.543 -12.254
10 2HB PRO 2 2HB PRO 2 -10.413 23.676 -13.169
11 1HG PRO 2 1HG PRO 2 -9.693 23.752 -10.219
12 2HG PRO 2 2HG PRO 2 -9.602 25.089 -11.412
13 1HD PRO 2 1HD PRO 2 -11.727 24.842 -9.756
14 2HD PRO 2 2HD PRO 2 -11.955 25.335 -11.452
15 HA PRO 3 HA PRO 3 -10.998 18.584 -10.077
16 1HB PRO 3 1HB PRO 3 -9.161 17.126 -11.493
17 2HB PRO 3 2HB PRO 3 -10.878 17.253 -11.989
18 1HG PRO 3 1HG PRO 3 -8.520 18.878 -12.996
19 2HG PRO 3 2HG PRO 3 -9.766 18.025 -13.965
20 1HD PRO 3 1HD PRO 3 -9.942 20.681 -13.429
21 2HD PRO 3 2HD PRO 3 -11.406 19.654 -13.455
22 H ASP 4 H ASP 4 -8.998 17.479 -8.983
23 HA ASP 4 HA ASP 4 -7.051 19.550 -8.254
24 1HB ASP 4 1HB ASP 4 -7.269 18.804 -6.056
25 2HB ASP 4 2HB ASP 4 -8.928 18.868 -6.644
26 H TYR 5 H TYR 5 -5.491 17.684 -6.629
27 HA TYR 5 HA TYR 5 -4.081 16.209 -8.772
28 1HB TYR 5 1HB TYR 5 -2.034 16.998 -7.610
29 2HB TYR 5 2HB TYR 5 -2.972 18.269 -8.359
30 HD1 TYR 5 HD1 TYR 5 -3.688 20.152 -7.089
31 HD2 TYR 5 HD2 TYR 5 -2.293 16.622 -5.030
32 HE1 TYR 5 HE1 TYR 5 -3.750 21.381 -4.952
33 HE2 TYR 5 HE2 TYR 5 -2.371 17.848 -2.881
34 HH TYR 5 HH TYR 5 -3.547 21.200 -2.621
35 H SER 6 H SER 6 -5.864 15.480 -6.048
36 HA SER 6 HA SER 6 -4.072 14.062 -4.420
37 1HB SER 6 1HB SER 6 -7.065 13.682 -4.772
38 2HB SER 6 2HB SER 6 -6.086 13.147 -3.388
39 HG SER 6 HG SER 6 -6.771 15.735 -4.248
40 H ALA 7 H ALA 7 -4.144 13.132 -7.420
41 HA ALA 7 HA ALA 7 -4.914 10.331 -7.383
42 1HB ALA 7 1HB ALA 7 -3.489 10.179 -9.415
43 2HB ALA 7 2HB ALA 7 -4.611 11.554 -9.518
44 3HB ALA 7 3HB ALA 7 -2.895 11.829 -9.123
45 H ALA 8 H ALA 8 -3.703 8.630 -6.693
46 HA ALA 8 HA ALA 8 -2.109 8.696 -4.578
47 1HB ALA 8 1HB ALA 8 -1.394 6.409 -5.081
48 2HB ALA 8 2HB ALA 8 -3.108 6.658 -5.455
49 3HB ALA 8 3HB ALA 8 -1.907 6.608 -6.770
50 HA PRO 9 HA PRO 9 1.476 10.695 -6.430
51 1HB PRO 9 1HB PRO 9 2.784 11.537 -4.184
52 2HB PRO 9 2HB PRO 9 1.284 12.294 -4.787
53 1HG PRO 9 1HG PRO 9 1.531 10.186 -2.617
54 2HG PRO 9 2HG PRO 9 0.621 11.731 -2.566
55 1HD PRO 9 1HD PRO 9 -0.573 9.361 -3.184
56 2HD PRO 9 2HD PRO 9 -1.069 10.887 -3.980
57 H ARG 10 H ARG 10 3.372 9.907 -7.118
58 HA ARG 10 HA ARG 10 5.046 8.183 -5.528
59 1HB ARG 10 1HB ARG 10 5.169 6.436 -7.440
60 2HB ARG 10 2HB ARG 10 3.870 6.353 -6.270
61 1HG ARG 10 1HG ARG 10 3.019 5.817 -8.440
62 2HG ARG 10 2HG ARG 10 2.269 7.294 -7.864
63 1HD ARG 10 1HD ARG 10 3.772 8.620 -9.350
64 2HD ARG 10 2HD ARG 10 4.505 7.103 -9.925
65 HE ARG 10 HE ARG 10 1.624 7.174 -10.165
66 1HH1 ARG 10 1HH1 ARG 10 4.566 8.364 -11.733
67 2HH1 ARG 10 2HH1 ARG 10 3.875 8.520 -13.305
68 1HH2 ARG 10 1HH2 ARG 10 0.653 7.384 -12.279
69 2HH2 ARG 10 2HH2 ARG 10 1.575 7.953 -13.610
70 H GLY 11 H GLY 11 7.196 7.961 -6.597
71 1HA GLY 11 1HA GLY 11 8.963 8.765 -7.766
72 2HA GLY 11 2HA GLY 11 7.855 9.300 -9.037
73 H ARG 12 H ARG 12 6.853 10.785 -6.262
74 HA ARG 12 HA ARG 12 8.795 12.937 -5.992
75 1HB ARG 12 1HB ARG 12 5.946 13.397 -7.013
76 2HB ARG 12 2HB ARG 12 6.863 14.615 -6.123
77 1HG ARG 12 1HG ARG 12 8.600 14.637 -7.885
78 2HG ARG 12 2HG ARG 12 7.712 13.394 -8.778
79 1HD ARG 12 1HD ARG 12 7.255 15.546 -9.757
80 2HD ARG 12 2HD ARG 12 5.782 14.907 -9.044
81 HE ARG 12 HE ARG 12 7.426 17.200 -8.158
82 1HH1 ARG 12 1HH1 ARG 12 4.528 15.253 -7.498
83 2HH1 ARG 12 2HH1 ARG 12 3.742 16.454 -6.549
84 1HH2 ARG 12 1HH2 ARG 12 6.378 18.828 -6.881
85 2HH2 ARG 12 2HH2 ARG 12 4.837 18.532 -6.183
86 H PHE 13 H PHE 13 9.006 12.172 -3.939
87 HA PHE 13 HA PHE 13 8.387 11.246 -1.865
88 1HB PHE 13 1HB PHE 13 7.672 14.192 -1.905
89 2HB PHE 13 2HB PHE 13 8.043 13.247 -0.464
90 HD1 PHE 13 HD1 PHE 13 10.357 12.164 -0.238
91 HD2 PHE 13 HD2 PHE 13 9.446 15.145 -3.225
92 HE1 PHE 13 HE1 PHE 13 12.778 12.562 -0.589
93 HE2 PHE 13 HE2 PHE 13 11.876 15.531 -3.567
94 HZ PHE 13 HZ PHE 13 13.539 14.238 -2.255
95 H GLY 14 H GLY 14 6.602 9.740 -2.433
96 1HA GLY 14 1HA GLY 14 4.065 10.570 -1.261
97 2HA GLY 14 2HA GLY 14 4.053 10.192 -2.997
98 H ILE 15 H ILE 15 2.618 8.753 -1.113
99 HA ILE 15 HA ILE 15 3.857 6.043 -1.001
100 HB ILE 15 HB ILE 15 2.475 7.685 1.139
101 1HG1 ILE 15 1HG1 ILE 15 5.137 6.193 1.117
102 2HG1 ILE 15 2HG1 ILE 15 4.931 7.929 0.939
103 1HG2 ILE 15 1HG2 ILE 15 2.870 4.669 1.131
104 2HG2 ILE 15 2HG2 ILE 15 2.427 5.628 2.560
105 3HG2 ILE 15 3HG2 ILE 15 1.344 5.546 1.190
106 1HD1 ILE 15 1HD1 ILE 15 5.606 7.545 3.177
107 2HD1 ILE 15 2HD1 ILE 15 3.899 8.025 3.223
108 3HD1 ILE 15 3HD1 ILE 15 4.363 6.317 3.442
109 HA PRO 16 HA PRO 16 -0.232 5.904 -3.013
110 1HB PRO 16 1HB PRO 16 0.250 3.866 -4.769
111 2HB PRO 16 2HB PRO 16 0.849 5.524 -5.074
112 1HG PRO 16 1HG PRO 16 2.368 3.198 -3.878
113 2HG PRO 16 2HG PRO 16 2.881 4.283 -5.207
114 1HD PRO 16 1HD PRO 16 3.651 4.667 -2.604
115 2HD PRO 16 2HD PRO 16 3.367 6.038 -3.708
116 H PHE 17 H PHE 17 -1.382 3.421 -3.322
117 HA PHE 17 HA PHE 17 -1.661 2.319 -0.708
118 1HB PHE 17 1HB PHE 17 -3.077 0.649 -1.973
119 2HB PHE 17 2HB PHE 17 -3.495 2.329 -2.204
120 HD1 PHE 17 HD1 PHE 17 -3.556 3.316 -4.377
121 HD2 PHE 17 HD2 PHE 17 -1.701 -0.556 -3.840
122 HE1 PHE 17 HE1 PHE 17 -3.326 3.072 -6.830
123 HE2 PHE 17 HE2 PHE 17 -1.472 -0.779 -6.281
124 HZ PHE 17 HZ PHE 17 -2.279 1.030 -7.791
125 H PHE 18 H PHE 18 1.197 2.116 -1.779
126 HA PHE 18 HA PHE 18 1.803 -0.407 -2.798
127 1HB PHE 18 1HB PHE 18 4.050 0.032 -2.443
128 2HB PHE 18 2HB PHE 18 3.346 1.616 -2.602
129 HD1 PHE 18 HD1 PHE 18 4.807 -0.805 -0.248
130 HD2 PHE 18 HD2 PHE 18 3.594 3.293 -0.842
131 HE1 PHE 18 HE1 PHE 18 6.077 -0.143 1.770
132 HE2 PHE 18 HE2 PHE 18 4.952 3.946 1.146
133 HZ PHE 18 HZ PHE 18 6.151 2.243 2.461
134 HA PRO 19 HA PRO 19 2.589 -2.099 1.589
135 1HB PRO 19 1HB PRO 19 1.077 -1.325 3.746
136 2HB PRO 19 2HB PRO 19 2.626 -0.561 3.272
137 1HG PRO 19 1HG PRO 19 -0.185 0.342 2.556
138 2HG PRO 19 2HG PRO 19 1.149 1.322 3.256
139 1HD PRO 19 1HD PRO 19 0.687 1.368 0.643
140 2HD PRO 19 2HD PRO 19 2.361 1.280 1.240
141 H VAL 20 H VAL 20 -0.494 -1.622 0.089
142 HA VAL 20 HA VAL 20 -2.117 -3.576 1.350
143 HB VAL 20 HB VAL 20 -1.792 -2.474 -1.478
144 1HG1 VAL 20 1HG1 VAL 20 -3.716 -4.663 -0.711
145 2HG1 VAL 20 2HG1 VAL 20 -3.913 -3.579 -2.134
146 3HG1 VAL 20 3HG1 VAL 20 -2.526 -4.630 -2.032
147 1HG2 VAL 20 1HG2 VAL 20 -3.985 -1.447 -1.011
148 2HG2 VAL 20 2HG2 VAL 20 -4.064 -2.275 0.557
149 3HG2 VAL 20 3HG2 VAL 20 -2.835 -1.024 0.262
150 H HIS 21 H HIS 21 -0.050 -3.945 -1.485
151 HA HIS 21 HA HIS 21 -0.413 -6.671 -1.899
152 1HB HIS 21 1HB HIS 21 1.815 -4.725 -2.399
153 2HB HIS 21 2HB HIS 21 1.771 -6.297 -3.212
154 HD1 HIS 21 HD1 HIS 21 -0.811 -6.353 -4.812
155 HD2 HIS 21 HD2 HIS 21 0.933 -2.734 -3.521
156 HE1 HIS 21 HE1 HIS 21 -1.913 -4.493 -6.153
157 H LEU 22 H LEU 22 2.082 -5.005 -0.041
158 HA LEU 22 HA LEU 22 3.515 -7.359 0.777
159 1HB LEU 22 1HB LEU 22 3.431 -4.547 1.948
160 2HB LEU 22 2HB LEU 22 4.523 -5.820 2.441
161 HG LEU 22 HG LEU 22 5.904 -4.645 1.064
162 1HD1 LEU 22 1HD1 LEU 22 4.640 -6.458 -1.044
163 2HD1 LEU 22 2HD1 LEU 22 6.283 -5.809 -1.031
164 3HD1 LEU 22 3HD1 LEU 22 5.803 -6.994 0.195
165 1HD2 LEU 22 1HD2 LEU 22 4.214 -3.018 0.300
166 2HD2 LEU 22 2HD2 LEU 22 5.335 -3.491 -0.979
167 3HD2 LEU 22 3HD2 LEU 22 3.695 -4.151 -0.967
168 H LYS 23 H LYS 23 0.990 -5.355 2.515
169 HA LYS 23 HA LYS 23 1.093 -7.080 4.824
170 1HB LYS 23 1HB LYS 23 0.118 -4.844 4.946
171 2HB LYS 23 2HB LYS 23 -1.150 -5.284 3.790
172 1HG LYS 23 1HG LYS 23 -2.151 -6.827 5.306
173 2HG LYS 23 2HG LYS 23 -0.773 -6.807 6.406
174 1HD LYS 23 1HD LYS 23 -2.518 -4.359 5.902
175 2HD LYS 23 2HD LYS 23 -2.878 -5.583 7.133
176 1HE LYS 23 1HE LYS 23 -0.573 -5.217 8.101
177 2HE LYS 23 2HE LYS 23 -0.369 -3.856 6.990
178 1HZ LYS 23 1HZ LYS 23 -2.292 -2.809 8.053
179 2HZ LYS 23 2HZ LYS 23 -2.463 -4.090 9.075
180 3HZ LYS 23 3HZ LYS 23 -1.130 -3.142 9.166
181 H ARG 24 H ARG 24 -0.530 -7.286 1.691
182 HA ARG 24 HA ARG 24 -2.135 -9.572 2.386
183 1HB ARG 24 1HB ARG 24 -2.730 -8.187 0.513
184 2HB ARG 24 2HB ARG 24 -1.198 -8.465 -0.280
185 1HG ARG 24 1HG ARG 24 -2.633 -11.008 0.220
186 2HG ARG 24 2HG ARG 24 -3.611 -9.849 -0.656
187 1HD ARG 24 1HD ARG 24 -2.435 -11.190 -2.270
188 2HD ARG 24 2HD ARG 24 -1.845 -9.540 -2.341
189 HE ARG 24 HE ARG 24 0.225 -10.166 -1.492
190 1HH1 ARG 24 1HH1 ARG 24 -1.926 -12.981 -1.342
191 2HH1 ARG 24 2HH1 ARG 24 -0.680 -14.161 -1.471
192 1HH2 ARG 24 1HH2 ARG 24 1.927 -11.739 -1.727
193 2HH2 ARG 24 2HH2 ARG 24 1.579 -13.423 -1.639
194 H LEU 25 H LEU 25 1.224 -9.210 1.271
195 HA LEU 25 HA LEU 25 1.708 -12.018 0.864
196 1HB LEU 25 1HB LEU 25 3.125 -9.989 0.141
197 2HB LEU 25 2HB LEU 25 3.768 -9.963 1.776
198 HG LEU 25 HG LEU 25 3.903 -12.417 -0.024
199 1HD1 LEU 25 1HD1 LEU 25 6.209 -11.724 -0.552
200 2HD1 LEU 25 2HD1 LEU 25 5.048 -10.513 -1.106
201 3HD1 LEU 25 3HD1 LEU 25 5.988 -10.229 0.376
202 1HD2 LEU 25 1HD2 LEU 25 4.343 -13.032 2.300
203 2HD2 LEU 25 2HD2 LEU 25 5.874 -12.993 1.450
204 3HD2 LEU 25 3HD2 LEU 25 5.432 -11.643 2.511
205 H LEU 26 H LEU 26 2.179 -9.833 3.651
206 HA LEU 26 HA LEU 26 3.061 -11.798 5.484
207 1HB LEU 26 1HB LEU 26 3.278 -9.407 5.826
208 2HB LEU 26 2HB LEU 26 1.538 -9.197 5.976
209 HG LEU 26 HG LEU 26 2.912 -11.117 7.867
210 1HD1 LEU 26 1HD1 LEU 26 3.471 -9.261 9.395
211 2HD1 LEU 26 2HD1 LEU 26 4.378 -9.147 7.888
212 3HD1 LEU 26 3HD1 LEU 26 2.980 -8.080 8.158
213 1HD2 LEU 26 1HD2 LEU 26 0.456 -10.876 8.080
214 2HD2 LEU 26 2HD2 LEU 26 1.249 -10.184 9.480
215 3HD2 LEU 26 3HD2 LEU 26 0.618 -9.113 8.210
216 H ILE 27 H ILE 27 -0.307 -10.668 4.896
217 HA ILE 27 HA ILE 27 -1.508 -12.407 6.801
218 HB ILE 27 HB ILE 27 -2.551 -11.024 4.308
219 1HG1 ILE 27 1HG1 ILE 27 -3.150 -10.576 7.277
220 2HG1 ILE 27 2HG1 ILE 27 -1.873 -9.727 6.420
221 1HG2 ILE 27 1HG2 ILE 27 -4.867 -11.596 5.037
222 2HG2 ILE 27 2HG2 ILE 27 -3.963 -13.032 4.594
223 3HG2 ILE 27 3HG2 ILE 27 -4.197 -12.644 6.306
224 1HD1 ILE 27 1HD1 ILE 27 -4.852 -9.518 5.848
225 2HD1 ILE 27 2HD1 ILE 27 -3.780 -8.283 6.514
226 3HD1 ILE 27 3HD1 ILE 27 -3.581 -8.803 4.826
227 H LEU 28 H LEU 28 -0.698 -12.962 3.316
228 HA LEU 28 HA LEU 28 -1.786 -15.623 3.267
229 1HB LEU 28 1HB LEU 28 -1.178 -14.115 1.336
230 2HB LEU 28 2HB LEU 28 0.503 -14.574 1.602
231 HG LEU 28 HG LEU 28 -0.641 -15.798 -0.142
232 1HD1 LEU 28 1HD1 LEU 28 0.234 -17.922 0.224
233 2HD1 LEU 28 2HD1 LEU 28 1.214 -16.860 1.275
234 3HD1 LEU 28 3HD1 LEU 28 -0.072 -17.880 1.950
235 1HD2 LEU 28 1HD2 LEU 28 -2.316 -17.235 1.966
236 2HD2 LEU 28 2HD2 LEU 28 -2.949 -15.914 0.976
237 3HD2 LEU 28 3HD2 LEU 28 -2.408 -17.440 0.227
238 H LEU 29 H LEU 29 1.523 -14.494 3.918
239 HA LEU 29 HA LEU 29 2.676 -16.995 4.471
240 1HB LEU 29 1HB LEU 29 3.977 -14.919 4.379
241 2HB LEU 29 2HB LEU 29 3.197 -14.335 5.849
242 HG LEU 29 HG LEU 29 4.222 -16.178 7.159
243 1HD1 LEU 29 1HD1 LEU 29 4.506 -17.911 5.443
244 2HD1 LEU 29 2HD1 LEU 29 5.629 -16.871 4.531
245 3HD1 LEU 29 3HD1 LEU 29 6.073 -17.504 6.133
246 1HD2 LEU 29 1HD2 LEU 29 5.333 -13.990 6.972
247 2HD2 LEU 29 2HD2 LEU 29 6.514 -15.299 7.100
248 3HD2 LEU 29 3HD2 LEU 29 6.206 -14.541 5.522
249 H LEU 30 H LEU 30 0.864 -14.892 6.759
250 HA LEU 30 HA LEU 30 0.913 -16.677 8.971
251 1HB LEU 30 1HB LEU 30 0.284 -14.281 9.057
252 2HB LEU 30 2HB LEU 30 -1.182 -14.644 8.167
253 HG LEU 30 HG LEU 30 -2.019 -16.058 10.015
254 1HD1 LEU 30 1HD1 LEU 30 0.527 -15.178 11.465
255 2HD1 LEU 30 2HD1 LEU 30 -0.874 -15.959 12.236
256 3HD1 LEU 30 3HD1 LEU 30 0.063 -16.844 11.039
257 1HD2 LEU 30 1HD2 LEU 30 -1.144 -13.273 10.888
258 2HD2 LEU 30 2HD2 LEU 30 -2.581 -13.664 9.911
259 3HD2 LEU 30 3HD2 LEU 30 -2.472 -14.228 11.584
260 H LEU 31 H LEU 31 -1.391 -16.350 6.301
261 HA LEU 31 HA LEU 31 -3.205 -18.419 7.067
262 1HB LEU 31 1HB LEU 31 -3.599 -16.571 5.437
263 2HB LEU 31 2HB LEU 31 -2.655 -17.470 4.257
264 HG LEU 31 HG LEU 31 -4.779 -19.112 5.528
265 1HD1 LEU 31 1HD1 LEU 31 -5.951 -16.964 5.606
266 2HD1 LEU 31 2HD1 LEU 31 -5.612 -16.690 3.881
267 3HD1 LEU 31 3HD1 LEU 31 -6.666 -18.031 4.391
268 1HD2 LEU 31 1HD2 LEU 31 -3.527 -19.755 3.438
269 2HD2 LEU 31 2HD2 LEU 31 -5.279 -19.737 3.230
270 3HD2 LEU 31 3HD2 LEU 31 -4.301 -18.397 2.593
271 1HN NH2 32 1HN NH2 32 0.070 -18.738 5.976
272 2HN NH2 32 2HN NH2 32 -0.038 -20.450 5.613
Start of MODEL 13
1 1H SER 1 1H SER 1 -15.292 2.377 -9.638
2 2H SER 1 2H SER 1 -16.244 1.029 -9.698
3 3H SER 1 3H SER 1 -16.879 2.509 -9.252
4 HA SER 1 HA SER 1 -16.483 1.060 -7.320
5 1HB SER 1 1HB SER 1 -14.003 0.809 -6.746
6 2HB SER 1 2HB SER 1 -14.517 -0.102 -8.172
7 HG SER 1 HG SER 1 -12.881 2.140 -7.952
8 HA PRO 2 HA PRO 2 -15.242 5.113 -5.396
9 1HB PRO 2 1HB PRO 2 -13.852 4.318 -3.157
10 2HB PRO 2 2HB PRO 2 -15.641 4.331 -3.230
11 1HG PRO 2 1HG PRO 2 -13.764 1.988 -3.699
12 2HG PRO 2 2HG PRO 2 -15.211 2.048 -2.638
13 1HD PRO 2 1HD PRO 2 -15.346 1.014 -5.140
14 2HD PRO 2 2HD PRO 2 -16.681 1.999 -4.491
15 HA PRO 3 HA PRO 3 -10.972 5.081 -6.894
16 1HB PRO 3 1HB PRO 3 -9.857 7.273 -5.722
17 2HB PRO 3 2HB PRO 3 -11.196 7.426 -6.898
18 1HG PRO 3 1HG PRO 3 -11.381 7.397 -3.865
19 2HG PRO 3 2HG PRO 3 -12.088 8.593 -4.999
20 1HD PRO 3 1HD PRO 3 -13.525 6.486 -4.012
21 2HD PRO 3 2HD PRO 3 -13.774 7.088 -5.678
22 H ASP 4 H ASP 4 -8.534 5.382 -5.699
23 HA ASP 4 HA ASP 4 -8.492 3.305 -3.685
24 1HB ASP 4 1HB ASP 4 -6.197 3.290 -3.851
25 2HB ASP 4 2HB ASP 4 -6.741 3.486 -5.506
26 H TYR 5 H TYR 5 -8.883 3.803 -1.736
27 HA TYR 5 HA TYR 5 -9.368 6.306 -0.619
28 1HB TYR 5 1HB TYR 5 -9.487 5.208 1.509
29 2HB TYR 5 2HB TYR 5 -10.116 4.101 0.301
30 HD1 TYR 5 HD1 TYR 5 -7.366 4.805 2.666
31 HD2 TYR 5 HD2 TYR 5 -8.860 2.007 -0.265
32 HE1 TYR 5 HE1 TYR 5 -5.694 3.155 3.403
33 HE2 TYR 5 HE2 TYR 5 -7.171 0.345 0.465
34 HH TYR 5 HH TYR 5 -4.725 1.120 2.955
35 H SER 6 H SER 6 -6.265 5.096 -1.359
36 HA SER 6 HA SER 6 -4.847 6.636 0.750
37 1HB SER 6 1HB SER 6 -3.853 4.617 -1.285
38 2HB SER 6 2HB SER 6 -2.901 5.338 0.030
39 HG SER 6 HG SER 6 -5.280 4.003 0.667
40 H ALA 7 H ALA 7 -6.290 8.050 -1.183
41 HA ALA 7 HA ALA 7 -5.238 8.704 -3.602
42 1HB ALA 7 1HB ALA 7 -7.462 9.309 -2.749
43 2HB ALA 7 2HB ALA 7 -6.725 10.542 -1.691
44 3HB ALA 7 3HB ALA 7 -6.629 10.704 -3.457
45 H ALA 8 H ALA 8 -3.267 9.108 -1.095
46 HA ALA 8 HA ALA 8 -2.168 11.733 -1.225
47 1HB ALA 8 1HB ALA 8 -1.775 10.124 0.627
48 2HB ALA 8 2HB ALA 8 -0.994 9.002 -0.510
49 3HB ALA 8 3HB ALA 8 -0.223 10.544 -0.119
50 HA PRO 9 HA PRO 9 0.064 11.695 -4.987
51 1HB PRO 9 1HB PRO 9 2.570 12.733 -4.361
52 2HB PRO 9 2HB PRO 9 1.068 13.681 -4.556
53 1HG PRO 9 1HG PRO 9 2.305 12.647 -1.992
54 2HG PRO 9 2HG PRO 9 1.648 14.280 -2.330
55 1HD PRO 9 1HD PRO 9 0.177 12.448 -1.017
56 2HD PRO 9 2HD PRO 9 -0.594 13.489 -2.243
57 H ARG 10 H ARG 10 1.909 10.797 -6.187
58 HA ARG 10 HA ARG 10 3.215 8.466 -4.996
59 1HB ARG 10 1HB ARG 10 2.142 6.977 -6.746
60 2HB ARG 10 2HB ARG 10 1.093 7.555 -5.465
61 1HG ARG 10 1HG ARG 10 0.430 9.453 -7.269
62 2HG ARG 10 2HG ARG 10 1.075 8.272 -8.395
63 1HD ARG 10 1HD ARG 10 -1.329 8.022 -8.175
64 2HD ARG 10 2HD ARG 10 -0.538 6.591 -7.494
65 HE ARG 10 HE ARG 10 -1.034 8.490 -5.387
66 1HH1 ARG 10 1HH1 ARG 10 -3.025 6.534 -7.623
67 2HH1 ARG 10 2HH1 ARG 10 -4.225 6.251 -6.392
68 1HH2 ARG 10 1HH2 ARG 10 -2.610 7.916 -3.792
69 2HH2 ARG 10 2HH2 ARG 10 -3.886 6.822 -4.221
70 H GLY 11 H GLY 11 4.992 7.813 -6.267
71 1HA GLY 11 1HA GLY 11 6.758 8.103 -7.666
72 2HA GLY 11 2HA GLY 11 5.666 8.837 -8.852
73 H ARG 12 H ARG 12 5.362 10.627 -6.090
74 HA ARG 12 HA ARG 12 7.660 12.418 -6.268
75 1HB ARG 12 1HB ARG 12 4.741 13.296 -6.588
76 2HB ARG 12 2HB ARG 12 6.064 14.377 -6.194
77 1HG ARG 12 1HG ARG 12 5.765 12.862 -8.827
78 2HG ARG 12 2HG ARG 12 5.280 14.522 -8.519
79 1HD ARG 12 1HD ARG 12 7.320 14.774 -9.598
80 2HD ARG 12 2HD ARG 12 7.729 15.009 -7.887
81 HE ARG 12 HE ARG 12 7.967 12.261 -8.575
82 1HH1 ARG 12 1HH1 ARG 12 9.705 15.266 -9.296
83 2HH1 ARG 12 2HH1 ARG 12 11.208 14.489 -9.626
84 1HH2 ARG 12 1HH2 ARG 12 9.856 11.229 -8.979
85 2HH2 ARG 12 2HH2 ARG 12 11.310 12.059 -9.431
86 H PHE 13 H PHE 13 8.171 11.628 -4.319
87 HA PHE 13 HA PHE 13 7.920 10.816 -2.130
88 1HB PHE 13 1HB PHE 13 7.638 13.828 -2.102
89 2HB PHE 13 2HB PHE 13 8.256 12.838 -0.782
90 HD1 PHE 13 HD1 PHE 13 9.173 14.765 -3.632
91 HD2 PHE 13 HD2 PHE 13 10.333 11.285 -1.353
92 HE1 PHE 13 HE1 PHE 13 11.464 14.898 -4.577
93 HE2 PHE 13 HE2 PHE 13 12.613 11.424 -2.313
94 HZ PHE 13 HZ PHE 13 13.184 13.225 -3.924
95 H GLY 14 H GLY 14 5.825 9.594 -2.160
96 1HA GLY 14 1HA GLY 14 4.078 10.641 -0.147
97 2HA GLY 14 2HA GLY 14 3.310 10.552 -1.741
98 H ILE 15 H ILE 15 2.243 8.993 0.163
99 HA ILE 15 HA ILE 15 3.254 6.193 -0.192
100 HB ILE 15 HB ILE 15 2.050 7.538 2.242
101 1HG1 ILE 15 1HG1 ILE 15 4.868 6.461 1.782
102 2HG1 ILE 15 2HG1 ILE 15 4.416 8.155 1.913
103 1HG2 ILE 15 1HG2 ILE 15 2.282 5.396 3.385
104 2HG2 ILE 15 2HG2 ILE 15 1.286 5.175 1.962
105 3HG2 ILE 15 3HG2 ILE 15 2.970 4.650 1.930
106 1HD1 ILE 15 1HD1 ILE 15 3.633 7.750 4.256
107 2HD1 ILE 15 2HD1 ILE 15 4.308 6.103 4.144
108 3HD1 ILE 15 3HD1 ILE 15 5.371 7.507 3.993
109 HA PRO 16 HA PRO 16 -1.052 6.320 -1.711
110 1HB PRO 16 1HB PRO 16 -0.740 4.776 -3.944
111 2HB PRO 16 2HB PRO 16 -0.258 6.495 -3.905
112 1HG PRO 16 1HG PRO 16 1.523 4.076 -3.436
113 2HG PRO 16 2HG PRO 16 1.791 5.419 -4.591
114 1HD PRO 16 1HD PRO 16 2.930 5.433 -2.130
115 2HD PRO 16 2HD PRO 16 2.306 6.941 -2.824
116 H PHE 17 H PHE 17 -2.032 3.841 -2.567
117 HA PHE 17 HA PHE 17 -2.194 2.313 -0.218
118 1HB PHE 17 1HB PHE 17 -3.511 0.763 -1.643
119 2HB PHE 17 2HB PHE 17 -3.973 2.429 -1.874
120 HD1 PHE 17 HD1 PHE 17 -3.556 3.599 -3.977
121 HD2 PHE 17 HD2 PHE 17 -2.290 -0.491 -3.462
122 HE1 PHE 17 HE1 PHE 17 -3.230 3.402 -6.416
123 HE2 PHE 17 HE2 PHE 17 -1.912 -0.671 -5.899
124 HZ PHE 17 HZ PHE 17 -2.390 1.262 -7.390
125 H PHE 18 H PHE 18 0.656 2.425 -1.408
126 HA PHE 18 HA PHE 18 1.314 -0.045 -2.599
127 1HB PHE 18 1HB PHE 18 3.559 0.473 -2.411
128 2HB PHE 18 2HB PHE 18 2.767 2.026 -2.505
129 HD1 PHE 18 HD1 PHE 18 3.369 3.729 -0.994
130 HD2 PHE 18 HD2 PHE 18 4.342 -0.371 -0.112
131 HE1 PHE 18 HE1 PHE 18 4.971 4.468 0.746
132 HE2 PHE 18 HE2 PHE 18 5.830 0.372 1.718
133 HZ PHE 18 HZ PHE 18 6.161 2.799 2.142
134 HA PRO 19 HA PRO 19 2.455 -1.810 1.684
135 1HB PRO 19 1HB PRO 19 1.021 -1.152 3.934
136 2HB PRO 19 2HB PRO 19 2.532 -0.345 3.413
137 1HG PRO 19 1HG PRO 19 -0.323 0.532 2.885
138 2HG PRO 19 2HG PRO 19 1.040 1.516 3.518
139 1HD PRO 19 1HD PRO 19 0.373 1.593 0.946
140 2HD PRO 19 2HD PRO 19 2.093 1.575 1.406
141 H VAL 20 H VAL 20 -0.710 -1.437 0.339
142 HA VAL 20 HA VAL 20 -2.186 -3.492 1.612
143 HB VAL 20 HB VAL 20 -2.035 -2.323 -1.202
144 1HG1 VAL 20 1HG1 VAL 20 -4.132 -3.507 -1.785
145 2HG1 VAL 20 2HG1 VAL 20 -2.694 -4.490 -1.773
146 3HG1 VAL 20 3HG1 VAL 20 -3.819 -4.611 -0.401
147 1HG2 VAL 20 1HG2 VAL 20 -3.066 -0.950 0.614
148 2HG2 VAL 20 2HG2 VAL 20 -4.246 -1.397 -0.619
149 3HG2 VAL 20 3HG2 VAL 20 -4.224 -2.258 0.933
150 H HIS 21 H HIS 21 -0.228 -3.710 -1.325
151 HA HIS 21 HA HIS 21 -0.480 -6.442 -1.784
152 1HB HIS 21 1HB HIS 21 1.625 -4.377 -2.334
153 2HB HIS 21 2HB HIS 21 1.657 -5.948 -3.150
154 HD1 HIS 21 HD1 HIS 21 -0.848 -6.176 -4.781
155 HD2 HIS 21 HD2 HIS 21 0.509 -2.446 -3.346
156 HE1 HIS 21 HE1 HIS 21 -2.119 -4.393 -6.076
157 H LEU 22 H LEU 22 1.962 -4.701 0.039
158 HA LEU 22 HA LEU 22 3.592 -6.966 0.738
159 1HB LEU 22 1HB LEU 22 3.374 -4.182 1.961
160 2HB LEU 22 2HB LEU 22 4.564 -5.382 2.393
161 HG LEU 22 HG LEU 22 5.816 -4.117 0.987
162 1HD1 LEU 22 1HD1 LEU 22 4.575 -5.943 -1.120
163 2HD1 LEU 22 2HD1 LEU 22 6.174 -5.191 -1.155
164 3HD1 LEU 22 3HD1 LEU 22 5.824 -6.438 0.053
165 1HD2 LEU 22 1HD2 LEU 22 3.504 -3.707 -0.946
166 2HD2 LEU 22 2HD2 LEU 22 4.013 -2.575 0.326
167 3HD2 LEU 22 3HD2 LEU 22 5.104 -2.955 -1.006
168 H LYS 23 H LYS 23 1.028 -5.153 2.651
169 HA LYS 23 HA LYS 23 1.316 -6.993 4.860
170 1HB LYS 23 1HB LYS 23 0.252 -4.801 5.145
171 2HB LYS 23 2HB LYS 23 -1.076 -5.269 4.066
172 1HG LYS 23 1HG LYS 23 -1.858 -6.943 5.585
173 2HG LYS 23 2HG LYS 23 -0.398 -6.879 6.570
174 1HD LYS 23 1HD LYS 23 -2.325 -4.532 6.336
175 2HD LYS 23 2HD LYS 23 -2.512 -5.839 7.519
176 1HE LYS 23 1HE LYS 23 -0.156 -5.375 8.321
177 2HE LYS 23 2HE LYS 23 -0.138 -3.937 7.290
178 1HZ LYS 23 1HZ LYS 23 -2.032 -4.447 9.513
179 2HZ LYS 23 2HZ LYS 23 -0.760 -3.417 9.563
180 3HZ LYS 23 3HZ LYS 23 -2.029 -3.099 8.570
181 H ARG 24 H ARG 24 -0.422 -7.128 1.794
182 HA ARG 24 HA ARG 24 -1.922 -9.497 2.423
183 1HB ARG 24 1HB ARG 24 -2.677 -8.129 0.662
184 2HB ARG 24 2HB ARG 24 -1.141 -8.131 -0.160
185 1HG ARG 24 1HG ARG 24 -2.303 -10.862 0.089
186 2HG ARG 24 2HG ARG 24 -3.353 -9.725 -0.724
187 1HD ARG 24 1HD ARG 24 -1.919 -10.902 -2.333
188 2HD ARG 24 2HD ARG 24 -1.692 -9.162 -2.365
189 HE ARG 24 HE ARG 24 0.424 -9.342 -1.339
190 1HH1 ARG 24 1HH1 ARG 24 -0.933 -12.588 -1.814
191 2HH1 ARG 24 2HH1 ARG 24 0.584 -13.370 -2.028
192 1HH2 ARG 24 1HH2 ARG 24 2.443 -10.341 -1.655
193 2HH2 ARG 24 2HH2 ARG 24 2.579 -12.044 -1.916
194 H LEU 25 H LEU 25 1.462 -8.988 1.532
195 HA LEU 25 HA LEU 25 1.982 -11.767 0.873
196 1HB LEU 25 1HB LEU 25 3.417 -9.665 0.354
197 2HB LEU 25 2HB LEU 25 4.003 -9.782 2.005
198 HG LEU 25 HG LEU 25 4.179 -12.116 0.062
199 1HD1 LEU 25 1HD1 LEU 25 6.485 -11.389 -0.421
200 2HD1 LEU 25 2HD1 LEU 25 5.319 -10.165 -0.937
201 3HD1 LEU 25 3HD1 LEU 25 6.246 -9.933 0.562
202 1HD2 LEU 25 1HD2 LEU 25 6.132 -12.758 1.517
203 2HD2 LEU 25 2HD2 LEU 25 5.711 -11.438 2.624
204 3HD2 LEU 25 3HD2 LEU 25 4.606 -12.807 2.377
205 H LEU 26 H LEU 26 2.230 -9.716 3.794
206 HA LEU 26 HA LEU 26 3.081 -11.805 5.543
207 1HB LEU 26 1HB LEU 26 3.270 -9.423 6.111
208 2HB LEU 26 2HB LEU 26 1.511 -9.275 6.163
209 HG LEU 26 HG LEU 26 1.413 -10.837 8.091
210 1HD1 LEU 26 1HD1 LEU 26 3.429 -12.199 7.738
211 2HD1 LEU 26 2HD1 LEU 26 4.469 -10.768 7.934
212 3HD1 LEU 26 3HD1 LEU 26 3.526 -11.400 9.301
213 1HD2 LEU 26 1HD2 LEU 26 1.542 -8.408 8.439
214 2HD2 LEU 26 2HD2 LEU 26 2.366 -9.289 9.735
215 3HD2 LEU 26 3HD2 LEU 26 3.323 -8.496 8.467
216 H ILE 27 H ILE 27 -0.236 -10.692 4.725
217 HA ILE 27 HA ILE 27 -1.601 -12.502 6.455
218 HB ILE 27 HB ILE 27 -2.409 -11.130 3.870
219 1HG1 ILE 27 1HG1 ILE 27 -3.386 -10.630 6.721
220 2HG1 ILE 27 2HG1 ILE 27 -1.964 -9.826 6.084
221 1HG2 ILE 27 1HG2 ILE 27 -3.814 -13.143 4.041
222 2HG2 ILE 27 2HG2 ILE 27 -4.197 -12.762 5.728
223 3HG2 ILE 27 3HG2 ILE 27 -4.779 -11.724 4.410
224 1HD1 ILE 27 1HD1 ILE 27 -4.777 -9.560 4.955
225 2HD1 ILE 27 2HD1 ILE 27 -3.868 -8.355 5.872
226 3HD1 ILE 27 3HD1 ILE 27 -3.316 -8.827 4.253
227 H LEU 28 H LEU 28 -0.427 -12.929 3.055
228 HA LEU 28 HA LEU 28 -1.416 -15.615 2.809
229 1HB LEU 28 1HB LEU 28 -0.661 -14.013 0.999
230 2HB LEU 28 2HB LEU 28 0.996 -14.447 1.417
231 HG LEU 28 HG LEU 28 0.056 -15.628 -0.479
232 1HD1 LEU 28 1HD1 LEU 28 0.492 -17.765 1.595
233 2HD1 LEU 28 2HD1 LEU 28 0.953 -17.745 -0.098
234 3HD1 LEU 28 3HD1 LEU 28 1.803 -16.690 1.067
235 1HD2 LEU 28 1HD2 LEU 28 -1.763 -17.192 1.410
236 2HD2 LEU 28 2HD2 LEU 28 -2.342 -15.854 0.408
237 3HD2 LEU 28 3HD2 LEU 28 -1.683 -17.333 -0.336
238 H LEU 29 H LEU 29 1.756 -14.404 3.819
239 HA LEU 29 HA LEU 29 2.985 -16.853 4.437
240 1HB LEU 29 1HB LEU 29 4.077 -14.665 4.502
241 2HB LEU 29 2HB LEU 29 3.221 -14.226 5.972
242 HG LEU 29 HG LEU 29 4.994 -16.695 5.885
243 1HD1 LEU 29 1HD1 LEU 29 6.343 -14.812 5.053
244 2HD1 LEU 29 2HD1 LEU 29 5.866 -13.827 6.458
245 3HD1 LEU 29 3HD1 LEU 29 6.862 -15.284 6.672
246 1HD2 LEU 29 1HD2 LEU 29 3.669 -16.500 7.952
247 2HD2 LEU 29 2HD2 LEU 29 5.337 -16.106 8.313
248 3HD2 LEU 29 3HD2 LEU 29 4.146 -14.799 8.141
249 H LEU 30 H LEU 30 0.852 -14.915 6.585
250 HA LEU 30 HA LEU 30 0.733 -16.780 8.723
251 1HB LEU 30 1HB LEU 30 0.006 -14.411 8.817
252 2HB LEU 30 2HB LEU 30 -1.349 -14.797 7.774
253 HG LEU 30 HG LEU 30 -2.294 -16.318 9.491
254 1HD1 LEU 30 1HD1 LEU 30 -0.281 -17.005 10.711
255 2HD1 LEU 30 2HD1 LEU 30 0.030 -15.326 11.215
256 3HD1 LEU 30 3HD1 LEU 30 -1.392 -16.209 11.819
257 1HD2 LEU 30 1HD2 LEU 30 -2.983 -13.961 9.366
258 2HD2 LEU 30 2HD2 LEU 30 -3.011 -14.550 11.034
259 3HD2 LEU 30 3HD2 LEU 30 -1.678 -13.506 10.490
260 H LEU 31 H LEU 31 -1.295 -16.442 5.839
261 HA LEU 31 HA LEU 31 -3.105 -18.590 6.355
262 1HB LEU 31 1HB LEU 31 -3.393 -16.702 4.747
263 2HB LEU 31 2HB LEU 31 -2.307 -17.535 3.644
264 HG LEU 31 HG LEU 31 -4.490 -19.282 4.646
265 1HD1 LEU 31 1HD1 LEU 31 -5.739 -17.178 4.672
266 2HD1 LEU 31 2HD1 LEU 31 -5.239 -16.834 2.998
267 3HD1 LEU 31 3HD1 LEU 31 -6.290 -18.225 3.358
268 1HD2 LEU 31 1HD2 LEU 31 -4.737 -19.845 2.292
269 2HD2 LEU 31 2HD2 LEU 31 -3.746 -18.455 1.797
270 3HD2 LEU 31 3HD2 LEU 31 -3.015 -19.817 2.674
271 1HN NH2 32 1HN NH2 32 0.274 -18.770 5.580
272 2HN NH2 32 2HN NH2 32 0.260 -20.471 5.161
Start of MODEL 14
1 1H SER 1 1H SER 1 -17.800 0.943 2.845
2 2H SER 1 2H SER 1 -16.561 1.335 1.837
3 3H SER 1 3H SER 1 -16.295 0.221 3.022
4 HA SER 1 HA SER 1 -16.438 1.866 4.682
5 1HB SER 1 1HB SER 1 -14.676 3.524 3.616
6 2HB SER 1 2HB SER 1 -14.261 1.819 3.824
7 HG SER 1 HG SER 1 -13.963 3.069 1.722
8 HA PRO 2 HA PRO 2 -18.733 5.759 3.457
9 1HB PRO 2 1HB PRO 2 -17.079 7.753 4.408
10 2HB PRO 2 2HB PRO 2 -18.169 6.819 5.474
11 1HG PRO 2 1HG PRO 2 -15.222 6.334 4.909
12 2HG PRO 2 2HG PRO 2 -16.027 6.473 6.507
13 1HD PRO 2 1HD PRO 2 -15.532 4.059 5.420
14 2HD PRO 2 2HD PRO 2 -17.068 4.360 6.264
15 HA PRO 3 HA PRO 3 -16.234 6.703 -0.200
16 1HB PRO 3 1HB PRO 3 -16.634 9.343 -0.800
17 2HB PRO 3 2HB PRO 3 -17.910 8.103 -0.953
18 1HG PRO 3 1HG PRO 3 -17.445 9.989 1.382
19 2HG PRO 3 2HG PRO 3 -18.976 9.678 0.500
20 1HD PRO 3 1HD PRO 3 -18.413 8.409 2.823
21 2HD PRO 3 2HD PRO 3 -19.216 7.539 1.488
22 H ASP 4 H ASP 4 -14.426 6.172 1.363
23 HA ASP 4 HA ASP 4 -12.865 8.320 2.477
24 1HB ASP 4 1HB ASP 4 -11.429 6.689 3.332
25 2HB ASP 4 2HB ASP 4 -13.066 6.109 3.555
26 H TYR 5 H TYR 5 -12.017 9.657 1.116
27 HA TYR 5 HA TYR 5 -11.139 9.079 -1.542
28 1HB TYR 5 1HB TYR 5 -10.484 11.494 -1.491
29 2HB TYR 5 2HB TYR 5 -12.143 11.168 -1.048
30 HD1 TYR 5 HD1 TYR 5 -12.987 11.541 1.237
31 HD2 TYR 5 HD2 TYR 5 -8.867 12.330 0.209
32 HE1 TYR 5 HE1 TYR 5 -12.689 12.779 3.362
33 HE2 TYR 5 HE2 TYR 5 -8.571 13.580 2.316
34 HH TYR 5 HH TYR 5 -9.607 14.343 4.274
35 H SER 6 H SER 6 -9.754 7.426 0.314
36 HA SER 6 HA SER 6 -7.223 8.200 1.160
37 1HB SER 6 1HB SER 6 -8.358 5.458 0.488
38 2HB SER 6 2HB SER 6 -6.981 5.786 1.565
39 HG SER 6 HG SER 6 -9.511 5.690 2.205
40 H ALA 7 H ALA 7 -7.630 8.684 -1.828
41 HA ALA 7 HA ALA 7 -5.635 7.020 -3.198
42 1HB ALA 7 1HB ALA 7 -7.108 9.555 -4.048
43 2HB ALA 7 2HB ALA 7 -6.058 8.563 -5.088
44 3HB ALA 7 3HB ALA 7 -7.572 7.888 -4.452
45 H ALA 8 H ALA 8 -4.200 7.496 -1.346
46 HA ALA 8 HA ALA 8 -3.104 9.919 -0.630
47 1HB ALA 8 1HB ALA 8 -1.936 7.102 -0.613
48 2HB ALA 8 2HB ALA 8 -1.276 8.443 0.330
49 3HB ALA 8 3HB ALA 8 -2.913 7.862 0.653
50 HA PRO 9 HA PRO 9 -0.475 11.400 -3.713
51 1HB PRO 9 1HB PRO 9 1.863 12.252 -2.464
52 2HB PRO 9 2HB PRO 9 0.283 13.086 -2.392
53 1HG PRO 9 1HG PRO 9 1.451 11.133 -0.391
54 2HG PRO 9 2HG PRO 9 0.684 12.724 -0.073
55 1HD PRO 9 1HD PRO 9 -0.709 10.452 0.216
56 2HD PRO 9 2HD PRO 9 -1.484 11.864 -0.551
57 H ARG 10 H ARG 10 1.397 11.168 -5.080
58 HA ARG 10 HA ARG 10 3.194 8.941 -4.756
59 1HB ARG 10 1HB ARG 10 2.444 7.808 -6.850
60 2HB ARG 10 2HB ARG 10 1.314 7.628 -5.528
61 1HG ARG 10 1HG ARG 10 0.860 9.803 -7.605
62 2HG ARG 10 2HG ARG 10 0.468 8.122 -7.971
63 1HD ARG 10 1HD ARG 10 -1.084 7.975 -6.112
64 2HD ARG 10 2HD ARG 10 -0.627 9.583 -5.549
65 HE ARG 10 HE ARG 10 -1.624 9.629 -8.256
66 1HH1 ARG 10 1HH1 ARG 10 -2.573 9.535 -4.836
67 2HH1 ARG 10 2HH1 ARG 10 -4.042 10.354 -4.993
68 1HH2 ARG 10 1HH2 ARG 10 -3.697 10.740 -8.582
69 2HH2 ARG 10 2HH2 ARG 10 -4.709 11.040 -7.221
70 H GLY 11 H GLY 11 4.741 8.959 -6.632
71 1HA GLY 11 1HA GLY 11 6.019 9.911 -8.229
72 2HA GLY 11 2HA GLY 11 4.605 10.833 -8.759
73 H ARG 12 H ARG 12 5.083 11.669 -5.615
74 HA ARG 12 HA ARG 12 7.342 13.430 -5.645
75 1HB ARG 12 1HB ARG 12 4.486 14.547 -5.476
76 2HB ARG 12 2HB ARG 12 5.913 15.394 -4.902
77 1HG ARG 12 1HG ARG 12 5.314 14.671 -7.800
78 2HG ARG 12 2HG ARG 12 5.169 16.257 -7.050
79 1HD ARG 12 1HD ARG 12 7.611 16.265 -6.564
80 2HD ARG 12 2HD ARG 12 7.784 14.715 -7.388
81 HE ARG 12 HE ARG 12 7.392 17.361 -8.546
82 1HH1 ARG 12 1HH1 ARG 12 7.231 13.862 -9.237
83 2HH1 ARG 12 2HH1 ARG 12 7.562 14.035 -10.919
84 1HH2 ARG 12 1HH2 ARG 12 7.780 17.596 -10.809
85 2HH2 ARG 12 2HH2 ARG 12 7.840 16.224 -11.841
86 H PHE 13 H PHE 13 8.017 12.411 -3.919
87 HA PHE 13 HA PHE 13 7.970 11.071 -1.981
88 1HB PHE 13 1HB PHE 13 7.502 13.954 -1.195
89 2HB PHE 13 2HB PHE 13 8.313 12.730 -0.221
90 HD1 PHE 13 HD1 PHE 13 8.781 15.357 -2.597
91 HD2 PHE 13 HD2 PHE 13 10.438 11.580 -1.314
92 HE1 PHE 13 HE1 PHE 13 10.936 15.920 -3.694
93 HE2 PHE 13 HE2 PHE 13 12.581 12.154 -2.421
94 HZ PHE 13 HZ PHE 13 12.833 14.318 -3.611
95 H GLY 14 H GLY 14 5.969 9.732 -2.165
96 1HA GLY 14 1HA GLY 14 4.054 10.407 -0.075
97 2HA GLY 14 2HA GLY 14 3.413 10.347 -1.729
98 H ILE 15 H ILE 15 2.497 8.632 0.173
99 HA ILE 15 HA ILE 15 3.658 5.918 -0.348
100 HB ILE 15 HB ILE 15 2.362 7.125 2.114
101 1HG1 ILE 15 1HG1 ILE 15 5.195 6.096 1.658
102 2HG1 ILE 15 2HG1 ILE 15 4.713 7.772 1.885
103 1HG2 ILE 15 1HG2 ILE 15 1.591 4.791 1.742
104 2HG2 ILE 15 2HG2 ILE 15 3.269 4.249 1.709
105 3HG2 ILE 15 3HG2 ILE 15 2.571 4.943 3.184
106 1HD1 ILE 15 1HD1 ILE 15 5.645 7.016 3.941
107 2HD1 ILE 15 2HD1 ILE 15 3.897 7.197 4.191
108 3HD1 ILE 15 3HD1 ILE 15 4.617 5.580 3.980
109 HA PRO 16 HA PRO 16 -0.601 6.051 -2.015
110 1HB PRO 16 1HB PRO 16 -0.196 4.364 -4.152
111 2HB PRO 16 2HB PRO 16 0.178 6.108 -4.191
112 1HG PRO 16 1HG PRO 16 2.078 3.804 -3.668
113 2HG PRO 16 2HG PRO 16 2.302 5.191 -4.782
114 1HD PRO 16 1HD PRO 16 3.386 5.153 -2.284
115 2HD PRO 16 2HD PRO 16 2.773 6.664 -2.980
116 H PHE 17 H PHE 17 -1.670 3.601 -2.752
117 HA PHE 17 HA PHE 17 -1.805 2.074 -0.375
118 1HB PHE 17 1HB PHE 17 -3.178 0.553 -1.835
119 2HB PHE 17 2HB PHE 17 -3.660 2.232 -1.872
120 HD1 PHE 17 HD1 PHE 17 -3.755 3.455 -3.923
121 HD2 PHE 17 HD2 PHE 17 -1.770 -0.382 -3.811
122 HE1 PHE 17 HE1 PHE 17 -3.514 3.495 -6.390
123 HE2 PHE 17 HE2 PHE 17 -1.535 -0.326 -6.272
124 HZ PHE 17 HZ PHE 17 -2.397 1.612 -7.567
125 H PHE 18 H PHE 18 1.024 2.165 -1.602
126 HA PHE 18 HA PHE 18 1.634 -0.277 -2.879
127 1HB PHE 18 1HB PHE 18 3.886 0.240 -2.703
128 2HB PHE 18 2HB PHE 18 3.106 1.799 -2.718
129 HD1 PHE 18 HD1 PHE 18 4.728 -0.705 -0.485
130 HD2 PHE 18 HD2 PHE 18 3.679 3.428 -1.099
131 HE1 PHE 18 HE1 PHE 18 6.243 -0.050 1.357
132 HE2 PHE 18 HE2 PHE 18 5.307 4.081 0.656
133 HZ PHE 18 HZ PHE 18 6.546 2.351 1.922
134 HA PRO 19 HA PRO 19 2.784 -2.150 1.337
135 1HB PRO 19 1HB PRO 19 1.453 -1.500 3.645
136 2HB PRO 19 2HB PRO 19 2.951 -0.698 3.081
137 1HG PRO 19 1HG PRO 19 0.087 0.213 2.671
138 2HG PRO 19 2HG PRO 19 1.479 1.172 3.276
139 1HD PRO 19 1HD PRO 19 0.723 1.296 0.726
140 2HD PRO 19 2HD PRO 19 2.456 1.275 1.137
141 H VAL 20 H VAL 20 -0.371 -1.699 0.015
142 HA VAL 20 HA VAL 20 -1.859 -3.739 1.342
143 HB VAL 20 HB VAL 20 -1.809 -2.544 -1.460
144 1HG1 VAL 20 1HG1 VAL 20 -3.635 -4.778 -0.584
145 2HG1 VAL 20 2HG1 VAL 20 -3.915 -3.702 -1.991
146 3HG1 VAL 20 3HG1 VAL 20 -2.511 -4.746 -1.961
147 1HG2 VAL 20 1HG2 VAL 20 -3.904 -2.467 0.764
148 2HG2 VAL 20 2HG2 VAL 20 -2.740 -1.172 0.404
149 3HG2 VAL 20 3HG2 VAL 20 -3.979 -1.596 -0.781
150 H HIS 21 H HIS 21 0.139 -3.889 -1.611
151 HA HIS 21 HA HIS 21 -0.163 -6.652 -2.088
152 1HB HIS 21 1HB HIS 21 1.761 -4.457 -2.780
153 2HB HIS 21 2HB HIS 21 2.100 -6.094 -3.362
154 HD1 HIS 21 HD1 HIS 21 -1.547 -5.823 -3.767
155 HD2 HIS 21 HD2 HIS 21 1.866 -4.093 -5.556
156 HE1 HIS 21 HE1 HIS 21 -2.286 -4.905 -6.014
157 H LEU 22 H LEU 22 2.209 -4.913 -0.142
158 HA LEU 22 HA LEU 22 3.833 -7.252 0.446
159 1HB LEU 22 1HB LEU 22 3.712 -4.463 1.681
160 2HB LEU 22 2HB LEU 22 4.843 -5.711 2.140
161 HG LEU 22 HG LEU 22 6.132 -4.433 0.751
162 1HD1 LEU 22 1HD1 LEU 22 6.184 -6.819 -0.013
163 2HD1 LEU 22 2HD1 LEU 22 5.016 -6.401 -1.294
164 3HD1 LEU 22 3HD1 LEU 22 6.619 -5.655 -1.275
165 1HD2 LEU 22 1HD2 LEU 22 3.910 -4.158 -1.313
166 2HD2 LEU 22 2HD2 LEU 22 4.353 -2.948 -0.089
167 3HD2 LEU 22 3HD2 LEU 22 5.509 -3.404 -1.341
168 H LYS 23 H LYS 23 1.360 -5.372 2.380
169 HA LYS 23 HA LYS 23 1.538 -7.203 4.581
170 1HB LYS 23 1HB LYS 23 0.537 -4.952 4.765
171 2HB LYS 23 2HB LYS 23 -0.812 -5.451 3.726
172 1HG LYS 23 1HG LYS 23 -1.546 -7.089 5.353
173 2HG LYS 23 2HG LYS 23 -0.110 -6.861 6.348
174 1HD LYS 23 1HD LYS 23 -2.171 -4.669 5.847
175 2HD LYS 23 2HD LYS 23 -2.271 -5.837 7.175
176 1HE LYS 23 1HE LYS 23 0.034 -5.114 7.919
177 2HE LYS 23 2HE LYS 23 -0.032 -3.819 6.715
178 1HZ LYS 23 1HZ LYS 23 -1.910 -4.171 8.981
179 2HZ LYS 23 2HZ LYS 23 -0.715 -3.054 8.898
180 3HZ LYS 23 3HZ LYS 23 -1.994 -2.960 7.871
181 H ARG 24 H ARG 24 -0.129 -7.388 1.479
182 HA ARG 24 HA ARG 24 -1.790 -9.640 2.118
183 1HB ARG 24 1HB ARG 24 -2.286 -8.374 0.195
184 2HB ARG 24 2HB ARG 24 -0.679 -8.493 -0.455
185 1HG ARG 24 1HG ARG 24 -2.659 -10.807 -0.268
186 2HG ARG 24 2HG ARG 24 -2.420 -9.778 -1.670
187 1HD ARG 24 1HD ARG 24 -0.645 -11.966 -0.640
188 2HD ARG 24 2HD ARG 24 -1.238 -11.657 -2.264
189 HE ARG 24 HE ARG 24 0.503 -9.531 -1.412
190 1HH1 ARG 24 1HH1 ARG 24 0.694 -12.901 -2.498
191 2HH1 ARG 24 2HH1 ARG 24 2.334 -12.794 -3.014
192 1HH2 ARG 24 1HH2 ARG 24 2.597 -9.356 -2.008
193 2HH2 ARG 24 2HH2 ARG 24 3.470 -10.646 -2.781
194 H LEU 25 H LEU 25 1.678 -9.409 1.327
195 HA LEU 25 HA LEU 25 2.025 -12.241 0.893
196 1HB LEU 25 1HB LEU 25 3.679 -10.377 0.264
197 2HB LEU 25 2HB LEU 25 4.057 -10.234 1.966
198 HG LEU 25 HG LEU 25 4.784 -12.622 2.033
199 1HD1 LEU 25 1HD1 LEU 25 3.560 -13.580 0.133
200 2HD1 LEU 25 2HD1 LEU 25 4.399 -12.480 -0.999
201 3HD1 LEU 25 3HD1 LEU 25 5.287 -13.751 -0.135
202 1HD2 LEU 25 1HD2 LEU 25 6.908 -12.225 0.856
203 2HD2 LEU 25 2HD2 LEU 25 6.187 -10.866 -0.035
204 3HD2 LEU 25 3HD2 LEU 25 6.394 -10.781 1.730
205 H LEU 26 H LEU 26 2.321 -10.041 3.642
206 HA LEU 26 HA LEU 26 3.048 -12.016 5.586
207 1HB LEU 26 1HB LEU 26 3.353 -9.619 5.989
208 2HB LEU 26 2HB LEU 26 1.606 -9.365 5.966
209 HG LEU 26 HG LEU 26 1.346 -10.752 8.005
210 1HD1 LEU 26 1HD1 LEU 26 4.403 -10.892 7.960
211 2HD1 LEU 26 2HD1 LEU 26 3.373 -11.353 9.333
212 3HD1 LEU 26 3HD1 LEU 26 3.276 -12.264 7.833
213 1HD2 LEU 26 1HD2 LEU 26 2.342 -9.140 9.556
214 2HD2 LEU 26 2HD2 LEU 26 3.396 -8.517 8.270
215 3HD2 LEU 26 3HD2 LEU 26 1.629 -8.315 8.161
216 H ILE 27 H ILE 27 -0.194 -10.779 4.654
217 HA ILE 27 HA ILE 27 -1.687 -12.338 6.504
218 HB ILE 27 HB ILE 27 -2.381 -11.152 3.793
219 1HG1 ILE 27 1HG1 ILE 27 -3.369 -10.359 6.572
220 2HG1 ILE 27 2HG1 ILE 27 -1.892 -9.695 5.901
221 1HG2 ILE 27 1HG2 ILE 27 -4.278 -12.523 5.756
222 2HG2 ILE 27 2HG2 ILE 27 -4.791 -11.569 4.349
223 3HG2 ILE 27 3HG2 ILE 27 -3.902 -13.064 4.113
224 1HD1 ILE 27 1HD1 ILE 27 -4.663 -9.373 4.679
225 2HD1 ILE 27 2HD1 ILE 27 -3.719 -8.146 5.528
226 3HD1 ILE 27 3HD1 ILE 27 -3.146 -8.771 3.969
227 H LEU 28 H LEU 28 -0.627 -13.113 3.123
228 HA LEU 28 HA LEU 28 -1.704 -15.768 3.111
229 1HB LEU 28 1HB LEU 28 -0.920 -14.361 1.178
230 2HB LEU 28 2HB LEU 28 0.731 -14.782 1.626
231 HG LEU 28 HG LEU 28 -0.225 -16.119 -0.165
232 1HD1 LEU 28 1HD1 LEU 28 0.653 -18.190 0.413
233 2HD1 LEU 28 2HD1 LEU 28 1.495 -17.050 1.504
234 3HD1 LEU 28 3HD1 LEU 28 0.163 -18.064 2.096
235 1HD2 LEU 28 1HD2 LEU 28 -2.080 -17.460 1.860
236 2HD2 LEU 28 2HD2 LEU 28 -2.624 -16.244 0.702
237 3HD2 LEU 28 3HD2 LEU 28 -1.969 -17.802 0.141
238 H LEU 29 H LEU 29 1.571 -14.651 4.010
239 HA LEU 29 HA LEU 29 2.571 -17.175 4.744
240 1HB LEU 29 1HB LEU 29 3.909 -15.146 4.537
241 2HB LEU 29 2HB LEU 29 3.171 -14.440 5.968
242 HG LEU 29 HG LEU 29 4.543 -17.116 6.271
243 1HD1 LEU 29 1HD1 LEU 29 6.128 -15.844 4.898
244 2HD1 LEU 29 2HD1 LEU 29 6.031 -14.467 6.022
245 3HD1 LEU 29 3HD1 LEU 29 6.731 -16.015 6.549
246 1HD2 LEU 29 1HD2 LEU 29 5.216 -16.156 8.453
247 2HD2 LEU 29 2HD2 LEU 29 4.472 -14.600 8.024
248 3HD2 LEU 29 3HD2 LEU 29 3.472 -16.046 8.264
249 H LEU 30 H LEU 30 0.460 -15.049 6.662
250 HA LEU 30 HA LEU 30 0.490 -16.772 9.001
251 1HB LEU 30 1HB LEU 30 0.042 -14.348 9.010
252 2HB LEU 30 2HB LEU 30 -1.474 -14.616 8.169
253 HG LEU 30 HG LEU 30 -0.954 -16.061 10.781
254 1HD1 LEU 30 1HD1 LEU 30 -1.906 -13.174 10.536
255 2HD1 LEU 30 2HD1 LEU 30 -1.872 -14.141 12.030
256 3HD1 LEU 30 3HD1 LEU 30 -0.357 -13.718 11.227
257 1HD2 LEU 30 1HD2 LEU 30 -3.421 -15.701 11.086
258 2HD2 LEU 30 2HD2 LEU 30 -3.488 -14.939 9.480
259 3HD2 LEU 30 3HD2 LEU 30 -3.054 -16.652 9.661
260 H LEU 31 H LEU 31 -1.770 -16.282 6.262
261 HA LEU 31 HA LEU 31 -3.097 -18.832 6.854
262 1HB LEU 31 1HB LEU 31 -4.425 -16.900 7.712
263 2HB LEU 31 2HB LEU 31 -4.403 -16.197 6.095
264 HG LEU 31 HG LEU 31 -5.672 -18.195 5.247
265 1HD1 LEU 31 1HD1 LEU 31 -5.813 -18.947 8.203
266 2HD1 LEU 31 2HD1 LEU 31 -6.801 -19.668 6.915
267 3HD1 LEU 31 3HD1 LEU 31 -5.053 -19.898 6.910
268 1HD2 LEU 31 1HD2 LEU 31 -7.822 -17.547 6.254
269 2HD2 LEU 31 2HD2 LEU 31 -6.969 -16.716 7.574
270 3HD2 LEU 31 3HD2 LEU 31 -6.830 -16.123 5.903
271 1HN NH2 32 1HN NH2 32 -1.487 -19.553 5.306
272 2HN NH2 32 2HN NH2 32 -1.888 -19.420 3.608
Start of MODEL 15
1 1H SER 1 1H SER 1 -9.490 26.181 11.189
2 2H SER 1 2H SER 1 -10.628 26.358 9.974
3 3H SER 1 3H SER 1 -10.151 24.862 10.451
4 HA SER 1 HA SER 1 -8.336 26.773 9.201
5 1HB SER 1 1HB SER 1 -7.014 24.563 8.939
6 2HB SER 1 2HB SER 1 -7.169 25.192 10.584
7 HG SER 1 HG SER 1 -8.255 22.929 9.418
8 HA PRO 2 HA PRO 2 -9.972 24.592 5.385
9 1HB PRO 2 1HB PRO 2 -7.658 23.827 4.108
10 2HB PRO 2 2HB PRO 2 -8.300 25.497 4.021
11 1HG PRO 2 1HG PRO 2 -6.164 24.403 5.884
12 2HG PRO 2 2HG PRO 2 -6.083 25.873 4.857
13 1HD PRO 2 1HD PRO 2 -6.739 26.034 7.478
14 2HD PRO 2 2HD PRO 2 -7.562 27.055 6.274
15 HA PRO 3 HA PRO 3 -9.460 20.419 6.998
16 1HB PRO 3 1HB PRO 3 -9.646 18.769 4.819
17 2HB PRO 3 2HB PRO 3 -11.043 19.695 5.449
18 1HG PRO 3 1HG PRO 3 -9.186 20.444 3.167
19 2HG PRO 3 2HG PRO 3 -10.981 20.444 3.175
20 1HD PRO 3 1HD PRO 3 -9.548 22.711 3.607
21 2HD PRO 3 2HD PRO 3 -11.062 22.400 4.506
22 H ASP 4 H ASP 4 -8.021 18.335 6.677
23 HA ASP 4 HA ASP 4 -5.271 19.135 6.437
24 1HB ASP 4 1HB ASP 4 -4.830 16.869 7.165
25 2HB ASP 4 2HB ASP 4 -5.976 17.650 8.249
26 H TYR 5 H TYR 5 -4.349 19.124 4.626
27 HA TYR 5 HA TYR 5 -5.457 18.127 2.149
28 1HB TYR 5 1HB TYR 5 -3.288 19.104 1.211
29 2HB TYR 5 2HB TYR 5 -4.399 20.185 2.016
30 HD1 TYR 5 HD1 TYR 5 -1.159 18.386 2.434
31 HD2 TYR 5 HD2 TYR 5 -3.821 21.397 4.009
32 HE1 TYR 5 HE1 TYR 5 0.622 19.148 3.967
33 HE2 TYR 5 HE2 TYR 5 -2.038 22.167 5.551
34 HH TYR 5 HH TYR 5 1.182 20.626 5.689
35 H SER 6 H SER 6 -5.008 15.970 3.983
36 HA SER 6 HA SER 6 -2.658 14.470 3.502
37 1HB SER 6 1HB SER 6 -5.418 13.625 4.464
38 2HB SER 6 2HB SER 6 -3.908 12.720 4.692
39 HG SER 6 HG SER 6 -4.935 14.613 6.202
40 H ALA 7 H ALA 7 -4.153 15.253 0.967
41 HA ALA 7 HA ALA 7 -5.188 12.843 -0.281
42 1HB ALA 7 1HB ALA 7 -4.197 15.477 -1.458
43 2HB ALA 7 2HB ALA 7 -5.020 14.187 -2.363
44 3HB ALA 7 3HB ALA 7 -5.882 15.053 -1.073
45 H ALA 8 H ALA 8 -3.663 11.341 0.199
46 HA ALA 8 HA ALA 8 -1.105 11.123 0.261
47 1HB ALA 8 1HB ALA 8 -1.255 8.777 -0.483
48 2HB ALA 8 2HB ALA 8 -2.563 9.249 0.613
49 3HB ALA 8 3HB ALA 8 -2.874 9.096 -1.135
50 HA PRO 9 HA PRO 9 0.212 12.465 -3.876
51 1HB PRO 9 1HB PRO 9 2.850 13.035 -3.291
52 2HB PRO 9 2HB PRO 9 1.478 14.126 -2.933
53 1HG PRO 9 1HG PRO 9 2.880 12.219 -1.061
54 2HG PRO 9 2HG PRO 9 2.377 13.904 -0.757
55 1HD PRO 9 1HD PRO 9 0.925 11.727 0.056
56 2HD PRO 9 2HD PRO 9 0.143 13.263 -0.415
57 H ARG 10 H ARG 10 2.107 11.703 -5.373
58 HA ARG 10 HA ARG 10 3.150 9.062 -4.855
59 1HB ARG 10 1HB ARG 10 1.856 7.957 -6.667
60 2HB ARG 10 2HB ARG 10 0.850 8.455 -5.318
61 1HG ARG 10 1HG ARG 10 0.486 10.650 -6.906
62 2HG ARG 10 2HG ARG 10 0.934 9.485 -8.142
63 1HD ARG 10 1HD ARG 10 -1.421 9.467 -8.016
64 2HD ARG 10 2HD ARG 10 -0.909 7.967 -7.223
65 HE ARG 10 HE ARG 10 -1.122 9.714 -5.112
66 1HH1 ARG 10 1HH1 ARG 10 -3.410 8.901 -7.710
67 2HH1 ARG 10 2HH1 ARG 10 -4.810 9.275 -6.775
68 1HH2 ARG 10 1HH2 ARG 10 -2.925 10.225 -3.904
69 2HH2 ARG 10 2HH2 ARG 10 -4.536 10.045 -4.510
70 H GLY 11 H GLY 11 4.650 8.479 -6.553
71 1HA GLY 11 1HA GLY 11 6.215 8.842 -8.134
72 2HA GLY 11 2HA GLY 11 5.092 9.937 -8.950
73 H ARG 12 H ARG 12 5.553 11.162 -5.901
74 HA ARG 12 HA ARG 12 8.111 12.425 -6.070
75 1HB ARG 12 1HB ARG 12 5.530 14.078 -6.258
76 2HB ARG 12 2HB ARG 12 7.074 14.712 -5.680
77 1HG ARG 12 1HG ARG 12 8.102 14.121 -7.914
78 2HG ARG 12 2HG ARG 12 6.497 13.624 -8.466
79 1HD ARG 12 1HD ARG 12 6.869 15.814 -9.292
80 2HD ARG 12 2HD ARG 12 5.645 15.929 -8.015
81 HE ARG 12 HE ARG 12 8.168 16.364 -6.839
82 1HH1 ARG 12 1HH1 ARG 12 6.091 17.974 -9.209
83 2HH1 ARG 12 2HH1 ARG 12 6.681 19.564 -8.907
84 1HH2 ARG 12 1HH2 ARG 12 8.989 18.504 -6.398
85 2HH2 ARG 12 2HH2 ARG 12 8.379 19.861 -7.254
86 H PHE 13 H PHE 13 8.529 11.615 -4.169
87 HA PHE 13 HA PHE 13 8.269 10.650 -2.054
88 1HB PHE 13 1HB PHE 13 7.993 13.645 -1.779
89 2HB PHE 13 2HB PHE 13 8.499 12.557 -0.483
90 HD1 PHE 13 HD1 PHE 13 9.625 14.595 -3.212
91 HD2 PHE 13 HD2 PHE 13 10.603 11.057 -0.939
92 HE1 PHE 13 HE1 PHE 13 11.978 14.717 -4.013
93 HE2 PHE 13 HE2 PHE 13 12.942 11.190 -1.748
94 HZ PHE 13 HZ PHE 13 13.629 13.013 -3.287
95 H GLY 14 H GLY 14 6.220 9.429 -2.271
96 1HA GLY 14 1HA GLY 14 4.188 10.417 -0.460
97 2HA GLY 14 2HA GLY 14 3.696 10.308 -2.161
98 H ILE 15 H ILE 15 2.353 8.791 -0.409
99 HA ILE 15 HA ILE 15 3.400 5.983 -0.561
100 HB ILE 15 HB ILE 15 1.906 7.411 1.656
101 1HG1 ILE 15 1HG1 ILE 15 4.734 6.268 1.614
102 2HG1 ILE 15 2HG1 ILE 15 4.308 7.974 1.616
103 1HG2 ILE 15 1HG2 ILE 15 2.757 4.489 1.519
104 2HG2 ILE 15 2HG2 ILE 15 1.974 5.293 2.893
105 3HG2 ILE 15 3HG2 ILE 15 1.101 5.085 1.393
106 1HD1 ILE 15 1HD1 ILE 15 3.868 6.023 3.892
107 2HD1 ILE 15 2HD1 ILE 15 4.952 7.419 3.829
108 3HD1 ILE 15 3HD1 ILE 15 3.196 7.675 3.843
109 HA PRO 16 HA PRO 16 -0.675 6.040 -2.615
110 1HB PRO 16 1HB PRO 16 -0.091 4.217 -4.600
111 2HB PRO 16 2HB PRO 16 0.309 5.953 -4.730
112 1HG PRO 16 1HG PRO 16 2.125 3.682 -3.881
113 2HG PRO 16 2HG PRO 16 2.463 4.988 -5.061
114 1HD PRO 16 1HD PRO 16 3.323 5.118 -2.479
115 2HD PRO 16 2HD PRO 16 2.784 6.582 -3.327
116 H PHE 17 H PHE 17 -1.702 3.519 -3.247
117 HA PHE 17 HA PHE 17 -1.975 2.206 -0.742
118 1HB PHE 17 1HB PHE 17 -3.314 0.589 -2.107
119 2HB PHE 17 2HB PHE 17 -3.763 2.263 -2.335
120 HD1 PHE 17 HD1 PHE 17 -1.896 -0.594 -3.920
121 HD2 PHE 17 HD2 PHE 17 -3.695 3.296 -4.504
122 HE1 PHE 17 HE1 PHE 17 -1.554 -0.795 -6.348
123 HE2 PHE 17 HE2 PHE 17 -3.349 3.072 -6.950
124 HZ PHE 17 HZ PHE 17 -2.270 1.034 -7.876
125 H PHE 18 H PHE 18 0.892 2.178 -1.869
126 HA PHE 18 HA PHE 18 1.564 -0.312 -2.953
127 1HB PHE 18 1HB PHE 18 3.802 0.220 -2.667
128 2HB PHE 18 2HB PHE 18 3.016 1.770 -2.801
129 HD1 PHE 18 HD1 PHE 18 4.603 -0.597 -0.424
130 HD2 PHE 18 HD2 PHE 18 3.354 3.463 -1.150
131 HE1 PHE 18 HE1 PHE 18 5.970 0.163 1.492
132 HE2 PHE 18 HE2 PHE 18 4.843 4.226 0.687
133 HZ PHE 18 HZ PHE 18 6.102 2.583 2.042
134 HA PRO 19 HA PRO 19 2.581 -2.010 1.377
135 1HB PRO 19 1HB PRO 19 1.124 -1.322 3.598
136 2HB PRO 19 2HB PRO 19 2.622 -0.493 3.074
137 1HG PRO 19 1HG PRO 19 -0.247 0.310 2.491
138 2HG PRO 19 2HG PRO 19 1.081 1.333 3.138
139 1HD PRO 19 1HD PRO 19 0.478 1.368 0.545
140 2HD PRO 19 2HD PRO 19 2.183 1.376 1.057
141 H VAL 20 H VAL 20 -0.572 -1.648 0.000
142 HA VAL 20 HA VAL 20 -2.066 -3.671 1.298
143 HB VAL 20 HB VAL 20 -1.877 -2.541 -1.533
144 1HG1 VAL 20 1HG1 VAL 20 -2.557 -4.715 -2.085
145 2HG1 VAL 20 2HG1 VAL 20 -3.704 -4.799 -0.729
146 3HG1 VAL 20 3HG1 VAL 20 -3.978 -3.710 -2.134
147 1HG2 VAL 20 1HG2 VAL 20 -4.097 -2.433 0.562
148 2HG2 VAL 20 2HG2 VAL 20 -2.912 -1.144 0.258
149 3HG2 VAL 20 3HG2 VAL 20 -4.076 -1.582 -0.996
150 H HIS 21 H HIS 21 -0.091 -3.972 -1.614
151 HA HIS 21 HA HIS 21 -0.394 -6.710 -2.014
152 1HB HIS 21 1HB HIS 21 1.765 -4.711 -2.609
153 2HB HIS 21 2HB HIS 21 1.707 -6.279 -3.428
154 HD1 HIS 21 HD1 HIS 21 -0.872 -6.379 -4.977
155 HD2 HIS 21 HD2 HIS 21 0.707 -2.720 -3.585
156 HE1 HIS 21 HE1 HIS 21 -2.119 -4.532 -6.205
157 H LEU 22 H LEU 22 2.123 -4.968 -0.277
158 HA LEU 22 HA LEU 22 3.686 -7.236 0.516
159 1HB LEU 22 1HB LEU 22 3.487 -4.425 1.693
160 2HB LEU 22 2HB LEU 22 4.659 -5.631 2.155
161 HG LEU 22 HG LEU 22 5.930 -4.389 0.745
162 1HD1 LEU 22 1HD1 LEU 22 5.931 -6.741 -0.112
163 2HD1 LEU 22 2HD1 LEU 22 4.713 -6.272 -1.325
164 3HD1 LEU 22 3HD1 LEU 22 6.321 -5.536 -1.352
165 1HD2 LEU 22 1HD2 LEU 22 4.146 -2.854 0.016
166 2HD2 LEU 22 2HD2 LEU 22 5.252 -3.279 -1.291
167 3HD2 LEU 22 3HD2 LEU 22 3.647 -4.018 -1.231
168 H LYS 23 H LYS 23 1.148 -5.328 2.363
169 HA LYS 23 HA LYS 23 1.421 -7.088 4.623
170 1HB LYS 23 1HB LYS 23 0.374 -4.791 4.682
171 2HB LYS 23 2HB LYS 23 -1.049 -5.464 3.861
172 1HG LYS 23 1HG LYS 23 -1.383 -7.048 5.739
173 2HG LYS 23 2HG LYS 23 0.109 -6.487 6.505
174 1HD LYS 23 1HD LYS 23 -0.902 -4.245 6.823
175 2HD LYS 23 2HD LYS 23 -2.407 -4.825 6.064
176 1HE LYS 23 1HE LYS 23 -2.606 -6.586 7.813
177 2HE LYS 23 2HE LYS 23 -1.103 -6.031 8.556
178 1HZ LYS 23 1HZ LYS 23 -2.188 -3.927 9.048
179 2HZ LYS 23 2HZ LYS 23 -3.593 -4.444 8.358
180 3HZ LYS 23 3HZ LYS 23 -3.020 -5.174 9.709
181 H ARG 24 H ARG 24 -0.343 -7.322 1.577
182 HA ARG 24 HA ARG 24 -1.956 -9.574 2.349
183 1HB ARG 24 1HB ARG 24 -2.615 -8.249 0.487
184 2HB ARG 24 2HB ARG 24 -1.089 -8.453 -0.331
185 1HG ARG 24 1HG ARG 24 -2.432 -11.056 0.144
186 2HG ARG 24 2HG ARG 24 -3.446 -9.917 -0.715
187 1HD ARG 24 1HD ARG 24 -2.179 -11.257 -2.308
188 2HD ARG 24 2HD ARG 24 -1.765 -9.555 -2.427
189 HE ARG 24 HE ARG 24 0.358 -9.926 -1.541
190 1HH1 ARG 24 1HH1 ARG 24 -1.423 -12.991 -1.463
191 2HH1 ARG 24 2HH1 ARG 24 -0.039 -13.999 -1.629
192 1HH2 ARG 24 1HH2 ARG 24 2.228 -11.248 -1.833
193 2HH2 ARG 24 2HH2 ARG 24 2.109 -12.968 -1.814
194 H LEU 25 H LEU 25 1.424 -9.267 1.298
195 HA LEU 25 HA LEU 25 1.825 -12.102 0.862
196 1HB LEU 25 1HB LEU 25 3.317 -10.132 0.127
197 2HB LEU 25 2HB LEU 25 3.934 -10.091 1.770
198 HG LEU 25 HG LEU 25 4.013 -12.610 0.061
199 1HD1 LEU 25 1HD1 LEU 25 5.202 -10.794 -1.119
200 2HD1 LEU 25 2HD1 LEU 25 6.152 -10.456 0.346
201 3HD1 LEU 25 3HD1 LEU 25 6.335 -12.002 -0.504
202 1HD2 LEU 25 1HD2 LEU 25 4.447 -13.114 2.418
203 2HD2 LEU 25 2HD2 LEU 25 5.969 -13.171 1.553
204 3HD2 LEU 25 3HD2 LEU 25 5.584 -11.752 2.544
205 H LEU 26 H LEU 26 2.311 -9.875 3.616
206 HA LEU 26 HA LEU 26 3.153 -11.869 5.457
207 1HB LEU 26 1HB LEU 26 3.464 -9.465 5.837
208 2HB LEU 26 2HB LEU 26 1.718 -9.237 5.974
209 HG LEU 26 HG LEU 26 1.668 -10.633 8.022
210 1HD1 LEU 26 1HD1 LEU 26 3.580 -12.135 7.663
211 2HD1 LEU 26 2HD1 LEU 26 4.707 -10.758 7.682
212 3HD1 LEU 26 3HD1 LEU 26 3.820 -11.226 9.148
213 1HD2 LEU 26 1HD2 LEU 26 2.798 -9.026 9.486
214 2HD2 LEU 26 2HD2 LEU 26 3.727 -8.392 8.112
215 3HD2 LEU 26 3HD2 LEU 26 1.958 -8.192 8.169
216 H ILE 27 H ILE 27 -0.166 -10.668 4.782
217 HA ILE 27 HA ILE 27 -1.487 -12.270 6.732
218 HB ILE 27 HB ILE 27 -2.389 -11.018 4.115
219 1HG1 ILE 27 1HG1 ILE 27 -3.177 -10.323 6.983
220 2HG1 ILE 27 2HG1 ILE 27 -1.758 -9.626 6.227
221 1HG2 ILE 27 1HG2 ILE 27 -3.876 -12.948 4.476
222 2HG2 ILE 27 2HG2 ILE 27 -4.146 -12.458 6.156
223 3HG2 ILE 27 3HG2 ILE 27 -4.751 -11.465 4.814
224 1HD1 ILE 27 1HD1 ILE 27 -3.597 -8.071 6.027
225 2HD1 ILE 27 2HD1 ILE 27 -3.172 -8.669 4.411
226 3HD1 ILE 27 3HD1 ILE 27 -4.620 -9.280 5.245
227 H LEU 28 H LEU 28 -0.605 -12.994 3.289
228 HA LEU 28 HA LEU 28 -1.758 -15.627 3.323
229 1HB LEU 28 1HB LEU 28 -1.092 -14.198 1.344
230 2HB LEU 28 2HB LEU 28 0.572 -14.690 1.647
231 HG LEU 28 HG LEU 28 -0.588 -15.947 -0.069
232 1HD1 LEU 28 1HD1 LEU 28 -0.081 -17.962 2.106
233 2HD1 LEU 28 2HD1 LEU 28 0.232 -18.077 0.384
234 3HD1 LEU 28 3HD1 LEU 28 1.233 -16.999 1.400
235 1HD2 LEU 28 1HD2 LEU 28 -2.310 -17.274 2.077
236 2HD2 LEU 28 2HD2 LEU 28 -2.907 -15.977 1.032
237 3HD2 LEU 28 3HD2 LEU 28 -2.391 -17.539 0.345
238 H LEU 29 H LEU 29 1.549 -14.534 3.968
239 HA LEU 29 HA LEU 29 2.701 -17.005 4.640
240 1HB LEU 29 1HB LEU 29 3.903 -14.880 4.458
241 2HB LEU 29 2HB LEU 29 3.217 -14.307 5.972
242 HG LEU 29 HG LEU 29 4.821 -16.888 5.891
243 1HD1 LEU 29 1HD1 LEU 29 5.944 -14.062 6.141
244 2HD1 LEU 29 2HD1 LEU 29 6.853 -15.573 6.371
245 3HD1 LEU 29 3HD1 LEU 29 6.199 -15.181 4.779
246 1HD2 LEU 29 1HD2 LEU 29 4.361 -14.774 8.063
247 2HD2 LEU 29 2HD2 LEU 29 3.727 -16.433 8.055
248 3HD2 LEU 29 3HD2 LEU 29 5.451 -16.168 8.216
249 H LEU 30 H LEU 30 0.876 -14.817 6.832
250 HA LEU 30 HA LEU 30 0.868 -16.541 9.092
251 1HB LEU 30 1HB LEU 30 0.278 -14.128 9.097
252 2HB LEU 30 2HB LEU 30 -1.192 -14.501 8.216
253 HG LEU 30 HG LEU 30 -2.029 -15.865 10.118
254 1HD1 LEU 30 1HD1 LEU 30 0.063 -16.577 11.179
255 2HD1 LEU 30 2HD1 LEU 30 0.501 -14.888 11.534
256 3HD1 LEU 30 3HD1 LEU 30 -0.891 -15.655 12.335
257 1HD2 LEU 30 1HD2 LEU 30 -2.506 -13.973 11.603
258 2HD2 LEU 30 2HD2 LEU 30 -1.192 -13.032 10.859
259 3HD2 LEU 30 3HD2 LEU 30 -2.625 -13.492 9.905
260 H LEU 31 H LEU 31 -1.397 -16.256 6.386
261 HA LEU 31 HA LEU 31 -3.266 -18.257 7.207
262 1HB LEU 31 1HB LEU 31 -3.595 -16.437 5.516
263 2HB LEU 31 2HB LEU 31 -2.688 -17.414 4.371
264 HG LEU 31 HG LEU 31 -4.849 -18.952 5.692
265 1HD1 LEU 31 1HD1 LEU 31 -5.648 -16.527 4.033
266 2HD1 LEU 31 2HD1 LEU 31 -6.728 -17.830 4.587
267 3HD1 LEU 31 3HD1 LEU 31 -5.954 -16.768 5.770
268 1HD2 LEU 31 1HD2 LEU 31 -4.397 -18.285 2.742
269 2HD2 LEU 31 2HD2 LEU 31 -3.658 -19.659 3.594
270 3HD2 LEU 31 3HD2 LEU 31 -5.411 -19.583 3.409
271 1HN NH2 32 1HN NH2 32 0.006 -18.686 6.156
272 2HN NH2 32 2HN NH2 32 -0.143 -20.401 5.827
Start of MODEL 16
1 1H SER 1 1H SER 1 -15.595 21.953 6.800
2 2H SER 1 2H SER 1 -17.084 21.277 6.438
3 3H SER 1 3H SER 1 -15.711 20.392 6.281
4 HA SER 1 HA SER 1 -16.256 22.757 4.664
5 1HB SER 1 1HB SER 1 -14.353 21.632 3.313
6 2HB SER 1 2HB SER 1 -13.901 22.332 4.873
7 HG SER 1 HG SER 1 -13.999 19.693 4.057
8 HA PRO 2 HA PRO 2 -18.204 19.450 1.961
9 1HB PRO 2 1HB PRO 2 -16.993 19.925 -0.468
10 2HB PRO 2 2HB PRO 2 -18.365 20.905 0.133
11 1HG PRO 2 1HG PRO 2 -15.394 21.510 0.331
12 2HG PRO 2 2HG PRO 2 -16.699 22.585 -0.270
13 1HD PRO 2 1HD PRO 2 -15.796 22.773 2.273
14 2HD PRO 2 2HD PRO 2 -17.533 22.943 1.915
15 HA PRO 3 HA PRO 3 -14.725 16.600 2.173
16 1HB PRO 3 1HB PRO 3 -15.035 14.888 0.047
17 2HB PRO 3 2HB PRO 3 -16.111 14.867 1.478
18 1HG PRO 3 1HG PRO 3 -16.576 16.251 -1.184
19 2HG PRO 3 2HG PRO 3 -17.702 15.186 -0.281
20 1HD PRO 3 1HD PRO 3 -17.868 17.889 -0.118
21 2HD PRO 3 2HD PRO 3 -18.146 16.872 1.324
22 H ASP 4 H ASP 4 -12.668 15.922 0.940
23 HA ASP 4 HA ASP 4 -11.854 17.984 -0.975
24 1HB ASP 4 1HB ASP 4 -9.748 17.924 0.077
25 2HB ASP 4 2HB ASP 4 -10.901 18.001 1.405
26 H TYR 5 H TYR 5 -9.571 16.892 -1.838
27 HA TYR 5 HA TYR 5 -10.115 14.256 -3.010
28 1HB TYR 5 1HB TYR 5 -9.485 15.454 -5.208
29 2HB TYR 5 2HB TYR 5 -11.109 15.628 -4.588
30 HD1 TYR 5 HD1 TYR 5 -12.006 17.768 -3.977
31 HD2 TYR 5 HD2 TYR 5 -7.823 17.377 -4.957
32 HE1 TYR 5 HE1 TYR 5 -11.800 20.237 -4.056
33 HE2 TYR 5 HE2 TYR 5 -7.607 19.839 -5.038
34 HH TYR 5 HH TYR 5 -8.713 21.883 -4.806
35 H SER 6 H SER 6 -8.199 15.017 -0.924
36 HA SER 6 HA SER 6 -5.593 15.448 -2.063
37 1HB SER 6 1HB SER 6 -6.340 14.521 0.733
38 2HB SER 6 2HB SER 6 -4.813 15.259 0.208
39 HG SER 6 HG SER 6 -7.381 16.331 0.513
40 H ALA 7 H ALA 7 -6.360 13.509 -3.493
41 HA ALA 7 HA ALA 7 -5.942 10.805 -2.829
42 1HB ALA 7 1HB ALA 7 -5.112 12.235 -5.395
43 2HB ALA 7 2HB ALA 7 -5.271 10.477 -5.196
44 3HB ALA 7 3HB ALA 7 -6.706 11.520 -5.058
45 H ALA 8 H ALA 8 -4.322 9.904 -1.819
46 HA ALA 8 HA ALA 8 -2.138 10.943 -0.831
47 1HB ALA 8 1HB ALA 8 -2.951 8.718 -0.247
48 2HB ALA 8 2HB ALA 8 -2.324 8.063 -1.783
49 3HB ALA 8 3HB ALA 8 -1.205 8.679 -0.548
50 HA PRO 9 HA PRO 9 0.553 12.094 -4.062
51 1HB PRO 9 1HB PRO 9 3.017 12.221 -2.707
52 2HB PRO 9 2HB PRO 9 1.761 13.487 -2.781
53 1HG PRO 9 1HG PRO 9 2.237 11.459 -0.602
54 2HG PRO 9 2HG PRO 9 1.773 13.179 -0.452
55 1HD PRO 9 1HD PRO 9 -0.019 11.147 -0.203
56 2HD PRO 9 2HD PRO 9 -0.476 12.702 -0.967
57 H ARG 10 H ARG 10 1.816 11.237 -5.619
58 HA ARG 10 HA ARG 10 2.964 8.538 -5.306
59 1HB ARG 10 1HB ARG 10 1.690 7.940 -7.484
60 2HB ARG 10 2HB ARG 10 0.811 7.906 -5.960
61 1HG ARG 10 1HG ARG 10 -0.208 10.099 -6.435
62 2HG ARG 10 2HG ARG 10 0.676 10.222 -7.955
63 1HD ARG 10 1HD ARG 10 -1.237 7.929 -7.349
64 2HD ARG 10 2HD ARG 10 -1.793 9.496 -7.948
65 HE ARG 10 HE ARG 10 0.339 8.430 -9.564
66 1HH1 ARG 10 1HH1 ARG 10 -3.163 8.318 -9.050
67 2HH1 ARG 10 2HH1 ARG 10 -3.564 7.868 -10.662
68 1HH2 ARG 10 1HH2 ARG 10 -0.165 7.818 -11.759
69 2HH2 ARG 10 2HH2 ARG 10 -1.795 7.573 -12.239
70 H GLY 11 H GLY 11 4.744 8.282 -6.614
71 1HA GLY 11 1HA GLY 11 6.372 8.717 -8.155
72 2HA GLY 11 2HA GLY 11 5.231 9.747 -9.031
73 H ARG 12 H ARG 12 5.504 10.888 -5.857
74 HA ARG 12 HA ARG 12 7.954 12.356 -6.006
75 1HB ARG 12 1HB ARG 12 5.264 13.813 -6.194
76 2HB ARG 12 2HB ARG 12 6.718 14.535 -5.496
77 1HG ARG 12 1HG ARG 12 7.915 14.090 -7.686
78 2HG ARG 12 2HG ARG 12 6.342 13.638 -8.379
79 1HD ARG 12 1HD ARG 12 5.443 15.866 -7.853
80 2HD ARG 12 2HD ARG 12 6.971 16.312 -7.063
81 HE ARG 12 HE ARG 12 7.435 15.442 -9.743
82 1HH1 ARG 12 1HH1 ARG 12 6.225 18.238 -7.934
83 2HH1 ARG 12 2HH1 ARG 12 6.673 19.413 -9.111
84 1HH2 ARG 12 1HH2 ARG 12 8.052 17.004 -11.356
85 2HH2 ARG 12 2HH2 ARG 12 7.737 18.675 -11.120
86 H PHE 13 H PHE 13 8.466 11.515 -4.158
87 HA PHE 13 HA PHE 13 8.282 10.496 -2.046
88 1HB PHE 13 1HB PHE 13 8.089 13.498 -1.709
89 2HB PHE 13 2HB PHE 13 8.705 12.367 -0.502
90 HD1 PHE 13 HD1 PHE 13 10.722 10.845 -1.213
91 HD2 PHE 13 HD2 PHE 13 9.577 14.448 -3.299
92 HE1 PHE 13 HE1 PHE 13 12.951 10.934 -2.294
93 HE2 PHE 13 HE2 PHE 13 11.816 14.528 -4.372
94 HZ PHE 13 HZ PHE 13 13.499 12.768 -3.876
95 H GLY 14 H GLY 14 6.190 9.321 -2.115
96 1HA GLY 14 1HA GLY 14 4.345 10.360 -0.137
97 2HA GLY 14 2HA GLY 14 3.705 10.246 -1.787
98 H ILE 15 H ILE 15 2.482 8.780 0.068
99 HA ILE 15 HA ILE 15 3.423 5.956 -0.202
100 HB ILE 15 HB ILE 15 2.146 7.340 2.173
101 1HG1 ILE 15 1HG1 ILE 15 4.403 6.164 3.167
102 2HG1 ILE 15 2HG1 ILE 15 4.974 6.541 1.548
103 1HG2 ILE 15 1HG2 ILE 15 1.228 5.101 1.964
104 2HG2 ILE 15 2HG2 ILE 15 2.838 4.408 1.764
105 3HG2 ILE 15 3HG2 ILE 15 2.361 5.145 3.309
106 1HD1 ILE 15 1HD1 ILE 15 3.786 8.507 3.564
107 2HD1 ILE 15 2HD1 ILE 15 5.503 8.325 3.163
108 3HD1 ILE 15 3HD1 ILE 15 4.378 8.951 1.950
109 HA PRO 16 HA PRO 16 -0.781 6.223 -1.961
110 1HB PRO 16 1HB PRO 16 -0.368 4.642 -4.168
111 2HB PRO 16 2HB PRO 16 0.083 6.369 -4.127
112 1HG PRO 16 1HG PRO 16 1.874 3.970 -3.635
113 2HG PRO 16 2HG PRO 16 2.175 5.375 -4.710
114 1HD PRO 16 1HD PRO 16 3.196 5.242 -2.186
115 2HD PRO 16 2HD PRO 16 2.656 6.787 -2.867
116 H PHE 17 H PHE 17 -1.796 3.750 -2.831
117 HA PHE 17 HA PHE 17 -2.026 2.244 -0.457
118 1HB PHE 17 1HB PHE 17 -3.353 0.710 -1.915
119 2HB PHE 17 2HB PHE 17 -3.799 2.390 -2.085
120 HD1 PHE 17 HD1 PHE 17 -1.821 -0.361 -3.736
121 HD2 PHE 17 HD2 PHE 17 -3.781 3.460 -4.226
122 HE1 PHE 17 HE1 PHE 17 -1.438 -0.473 -6.174
123 HE2 PHE 17 HE2 PHE 17 -3.407 3.323 -6.671
124 HZ PHE 17 HZ PHE 17 -2.224 1.364 -7.648
125 H PHE 18 H PHE 18 0.846 2.295 -1.594
126 HA PHE 18 HA PHE 18 1.480 -0.192 -2.779
127 1HB PHE 18 1HB PHE 18 3.729 0.287 -2.537
128 2HB PHE 18 2HB PHE 18 2.979 1.860 -2.645
129 HD1 PHE 18 HD1 PHE 18 3.430 3.528 -0.986
130 HD2 PHE 18 HD2 PHE 18 4.530 -0.580 -0.303
131 HE1 PHE 18 HE1 PHE 18 4.944 4.222 0.860
132 HE2 PHE 18 HE2 PHE 18 5.929 0.111 1.615
133 HZ PHE 18 HZ PHE 18 6.150 2.518 2.191
134 HA PRO 19 HA PRO 19 2.576 -1.914 1.516
135 1HB PRO 19 1HB PRO 19 1.115 -1.271 3.752
136 2HB PRO 19 2HB PRO 19 2.621 -0.447 3.244
137 1HG PRO 19 1HG PRO 19 -0.237 0.405 2.699
138 2HG PRO 19 2HG PRO 19 1.117 1.399 3.332
139 1HD PRO 19 1HD PRO 19 0.457 1.460 0.755
140 2HD PRO 19 2HD PRO 19 2.175 1.464 1.229
141 H VAL 20 H VAL 20 -0.625 -1.517 0.206
142 HA VAL 20 HA VAL 20 -2.052 -3.627 1.446
143 HB VAL 20 HB VAL 20 -1.970 -2.412 -1.346
144 1HG1 VAL 20 1HG1 VAL 20 -4.031 -3.602 -1.944
145 2HG1 VAL 20 2HG1 VAL 20 -2.619 -4.634 -1.860
146 3HG1 VAL 20 3HG1 VAL 20 -3.788 -4.671 -0.525
147 1HG2 VAL 20 1HG2 VAL 20 -2.955 -1.059 0.498
148 2HG2 VAL 20 2HG2 VAL 20 -4.163 -1.495 -0.714
149 3HG2 VAL 20 3HG2 VAL 20 -4.109 -2.370 0.831
150 H HIS 21 H HIS 21 0.060 -3.702 -1.430
151 HA HIS 21 HA HIS 21 -0.239 -6.464 -1.983
152 1HB HIS 21 1HB HIS 21 1.658 -4.238 -2.615
153 2HB HIS 21 2HB HIS 21 2.071 -5.871 -3.158
154 HD1 HIS 21 HD1 HIS 21 -1.651 -5.177 -3.509
155 HD2 HIS 21 HD2 HIS 21 1.953 -4.480 -5.595
156 HE1 HIS 21 HE1 HIS 21 -2.291 -4.581 -5.891
157 H LEU 22 H LEU 22 2.044 -4.749 0.084
158 HA LEU 22 HA LEU 22 3.689 -7.077 0.667
159 1HB LEU 22 1HB LEU 22 3.483 -4.310 1.943
160 2HB LEU 22 2HB LEU 22 4.616 -5.542 2.430
161 HG LEU 22 HG LEU 22 5.927 -4.222 1.100
162 1HD1 LEU 22 1HD1 LEU 22 4.935 -6.212 -0.986
163 2HD1 LEU 22 2HD1 LEU 22 6.520 -5.433 -0.905
164 3HD1 LEU 22 3HD1 LEU 22 6.060 -6.605 0.341
165 1HD2 LEU 22 1HD2 LEU 22 3.791 -3.996 -1.060
166 2HD2 LEU 22 2HD2 LEU 22 4.134 -2.784 0.192
167 3HD2 LEU 22 3HD2 LEU 22 5.365 -3.192 -1.004
168 H LYS 23 H LYS 23 1.163 -5.246 2.531
169 HA LYS 23 HA LYS 23 1.187 -7.027 4.753
170 1HB LYS 23 1HB LYS 23 0.147 -4.810 4.833
171 2HB LYS 23 2HB LYS 23 -1.006 -5.265 3.582
172 1HG LYS 23 1HG LYS 23 -2.055 -5.220 5.774
173 2HG LYS 23 2HG LYS 23 -2.114 -6.831 5.075
174 1HD LYS 23 1HD LYS 23 -0.276 -7.567 6.553
175 2HD LYS 23 2HD LYS 23 -0.138 -5.920 7.217
176 1HE LYS 23 1HE LYS 23 -2.472 -6.059 8.045
177 2HE LYS 23 2HE LYS 23 -2.641 -7.671 7.343
178 1HZ LYS 23 1HZ LYS 23 -0.788 -6.954 9.535
179 2HZ LYS 23 2HZ LYS 23 -2.191 -7.785 9.694
180 3HZ LYS 23 3HZ LYS 23 -0.940 -8.456 8.874
181 H ARG 24 H ARG 24 -0.311 -7.268 1.565
182 HA ARG 24 HA ARG 24 -1.970 -9.546 2.121
183 1HB ARG 24 1HB ARG 24 -2.430 -8.242 0.209
184 2HB ARG 24 2HB ARG 24 -0.802 -8.327 -0.394
185 1HG ARG 24 1HG ARG 24 -2.755 -10.670 -0.327
186 2HG ARG 24 2HG ARG 24 -2.494 -9.598 -1.692
187 1HD ARG 24 1HD ARG 24 -0.684 -11.766 -0.662
188 2HD ARG 24 2HD ARG 24 -1.285 -11.464 -2.286
189 HE ARG 24 HE ARG 24 0.446 -9.335 -1.314
190 1HH1 ARG 24 1HH1 ARG 24 0.549 -12.538 -2.836
191 2HH1 ARG 24 2HH1 ARG 24 2.157 -12.367 -3.423
192 1HH2 ARG 24 1HH2 ARG 24 2.505 -9.085 -2.004
193 2HH2 ARG 24 2HH2 ARG 24 3.328 -10.280 -2.963
194 H LEU 25 H LEU 25 1.496 -9.258 1.311
195 HA LEU 25 HA LEU 25 1.891 -12.092 0.898
196 1HB LEU 25 1HB LEU 25 3.435 -10.165 0.228
197 2HB LEU 25 2HB LEU 25 3.950 -10.072 1.904
198 HG LEU 25 HG LEU 25 4.125 -12.651 0.290
199 1HD1 LEU 25 1HD1 LEU 25 5.369 -10.885 -0.901
200 2HD1 LEU 25 2HD1 LEU 25 6.244 -10.480 0.594
201 3HD1 LEU 25 3HD1 LEU 25 6.472 -12.059 -0.179
202 1HD2 LEU 25 1HD2 LEU 25 4.451 -13.054 2.688
203 2HD2 LEU 25 2HD2 LEU 25 6.008 -13.144 1.895
204 3HD2 LEU 25 3HD2 LEU 25 5.580 -11.684 2.806
205 H LEU 26 H LEU 26 2.263 -9.856 3.660
206 HA LEU 26 HA LEU 26 2.997 -11.866 5.546
207 1HB LEU 26 1HB LEU 26 3.437 -9.531 5.897
208 2HB LEU 26 2HB LEU 26 1.725 -9.133 5.960
209 HG LEU 26 HG LEU 26 2.607 -11.225 7.926
210 1HD1 LEU 26 1HD1 LEU 26 3.604 -9.586 9.474
211 2HD1 LEU 26 2HD1 LEU 26 4.568 -9.778 8.011
212 3HD1 LEU 26 3HD1 LEU 26 3.548 -8.337 8.204
213 1HD2 LEU 26 1HD2 LEU 26 0.307 -10.205 7.893
214 2HD2 LEU 26 2HD2 LEU 26 1.158 -9.969 9.427
215 3HD2 LEU 26 3HD2 LEU 26 1.063 -8.621 8.264
216 H ILE 27 H ILE 27 -0.281 -10.674 4.661
217 HA ILE 27 HA ILE 27 -1.696 -12.238 6.592
218 HB ILE 27 HB ILE 27 -2.460 -11.047 3.902
219 1HG1 ILE 27 1HG1 ILE 27 -3.409 -10.391 6.730
220 2HG1 ILE 27 2HG1 ILE 27 -2.033 -9.599 5.995
221 1HG2 ILE 27 1HG2 ILE 27 -4.302 -12.545 5.827
222 2HG2 ILE 27 2HG2 ILE 27 -4.844 -11.599 4.424
223 3HG2 ILE 27 3HG2 ILE 27 -3.888 -13.044 4.180
224 1HD1 ILE 27 1HD1 ILE 27 -3.480 -8.755 4.148
225 2HD1 ILE 27 2HD1 ILE 27 -4.896 -9.465 4.960
226 3HD1 ILE 27 3HD1 ILE 27 -3.986 -8.181 5.751
227 H LEU 28 H LEU 28 -0.718 -12.980 3.171
228 HA LEU 28 HA LEU 28 -1.801 -15.623 3.215
229 1HB LEU 28 1HB LEU 28 -1.070 -14.214 1.244
230 2HB LEU 28 2HB LEU 28 0.583 -14.704 1.604
231 HG LEU 28 HG LEU 28 -0.528 -15.986 -0.133
232 1HD1 LEU 28 1HD1 LEU 28 -0.084 -17.969 2.086
233 2HD1 LEU 28 2HD1 LEU 28 0.267 -18.113 0.373
234 3HD1 LEU 28 3HD1 LEU 28 1.248 -17.022 1.390
235 1HD2 LEU 28 1HD2 LEU 28 -2.346 -17.561 0.246
236 2HD2 LEU 28 2HD2 LEU 28 -2.312 -17.286 1.978
237 3HD2 LEU 28 3HD2 LEU 28 -2.877 -15.995 0.906
238 H LEU 29 H LEU 29 1.486 -14.534 3.953
239 HA LEU 29 HA LEU 29 2.600 -16.999 4.691
240 1HB LEU 29 1HB LEU 29 3.911 -14.935 4.592
241 2HB LEU 29 2HB LEU 29 3.030 -14.275 5.973
242 HG LEU 29 HG LEU 29 3.969 -16.036 7.448
243 1HD1 LEU 29 1HD1 LEU 29 5.549 -16.880 4.967
244 2HD1 LEU 29 2HD1 LEU 29 5.874 -17.422 6.628
245 3HD1 LEU 29 3HD1 LEU 29 4.359 -17.864 5.853
246 1HD2 LEU 29 1HD2 LEU 29 6.261 -15.160 7.491
247 2HD2 LEU 29 2HD2 LEU 29 6.063 -14.500 5.854
248 3HD2 LEU 29 3HD2 LEU 29 5.096 -13.860 7.205
249 H LEU 30 H LEU 30 0.678 -14.801 6.789
250 HA LEU 30 HA LEU 30 0.655 -16.512 9.076
251 1HB LEU 30 1HB LEU 30 0.066 -14.094 9.053
252 2HB LEU 30 2HB LEU 30 -1.403 -14.480 8.176
253 HG LEU 30 HG LEU 30 -2.252 -15.816 10.078
254 1HD1 LEU 30 1HD1 LEU 30 0.302 -14.895 11.491
255 2HD1 LEU 30 2HD1 LEU 30 -1.107 -15.626 12.297
256 3HD1 LEU 30 3HD1 LEU 30 -0.181 -16.572 11.140
257 1HD2 LEU 30 1HD2 LEU 30 -2.698 -13.923 11.569
258 2HD2 LEU 30 2HD2 LEU 30 -1.361 -13.003 10.839
259 3HD2 LEU 30 3HD2 LEU 30 -2.801 -13.427 9.875
260 H LEU 31 H LEU 31 -1.508 -16.253 6.304
261 HA LEU 31 HA LEU 31 -3.432 -18.227 7.085
262 1HB LEU 31 1HB LEU 31 -3.694 -16.436 5.355
263 2HB LEU 31 2HB LEU 31 -2.740 -17.425 4.260
264 HG LEU 31 HG LEU 31 -4.957 -18.939 5.524
265 1HD1 LEU 31 1HD1 LEU 31 -5.663 -16.571 3.746
266 2HD1 LEU 31 2HD1 LEU 31 -6.771 -17.859 4.276
267 3HD1 LEU 31 3HD1 LEU 31 -6.069 -16.760 5.470
268 1HD2 LEU 31 1HD2 LEU 31 -5.403 -19.648 3.240
269 2HD2 LEU 31 2HD2 LEU 31 -4.355 -18.373 2.580
270 3HD2 LEU 31 3HD2 LEU 31 -3.662 -19.718 3.514
271 1HN NH2 32 1HN NH2 32 -0.124 -18.665 6.115
272 2HN NH2 32 2HN NH2 32 -0.261 -20.389 5.826
Start of MODEL 17
1 1H SER 1 1H SER 1 -14.211 7.139 5.557
2 2H SER 1 2H SER 1 -15.729 7.776 5.695
3 3H SER 1 3H SER 1 -15.358 6.283 6.369
4 HA SER 1 HA SER 1 -16.605 6.190 4.220
5 1HB SER 1 1HB SER 1 -14.887 6.539 2.287
6 2HB SER 1 2HB SER 1 -15.584 7.958 3.043
7 HG SER 1 HG SER 1 -13.066 7.299 2.784
8 HA PRO 2 HA PRO 2 -14.338 2.094 3.855
9 1HB PRO 2 1HB PRO 2 -13.766 2.988 1.011
10 2HB PRO 2 2HB PRO 2 -14.213 1.351 1.589
11 1HG PRO 2 1HG PRO 2 -16.081 2.890 0.444
12 2HG PRO 2 2HG PRO 2 -16.474 1.995 1.953
13 1HD PRO 2 1HD PRO 2 -15.771 4.889 1.598
14 2HD PRO 2 2HD PRO 2 -17.020 4.165 2.644
15 HA PRO 3 HA PRO 3 -10.044 3.522 4.105
16 1HB PRO 3 1HB PRO 3 -8.454 1.447 3.387
17 2HB PRO 3 2HB PRO 3 -9.540 1.355 4.803
18 1HG PRO 3 1HG PRO 3 -10.092 0.343 1.990
19 2HG PRO 3 2HG PRO 3 -10.236 -0.563 3.532
20 1HD PRO 3 1HD PRO 3 -12.364 0.649 2.349
21 2HD PRO 3 2HD PRO 3 -12.206 0.591 4.130
22 H ASP 4 H ASP 4 -11.100 4.875 2.180
23 HA ASP 4 HA ASP 4 -9.624 4.625 -0.369
24 1HB ASP 4 1HB ASP 4 -11.585 5.798 -1.300
25 2HB ASP 4 2HB ASP 4 -12.004 4.262 -0.563
26 H TYR 5 H TYR 5 -8.684 5.893 2.142
27 HA TYR 5 HA TYR 5 -8.898 8.662 2.169
28 1HB TYR 5 1HB TYR 5 -6.890 8.493 3.638
29 2HB TYR 5 2HB TYR 5 -8.142 7.350 4.085
30 HD1 TYR 5 HD1 TYR 5 -7.864 4.922 3.701
31 HD2 TYR 5 HD2 TYR 5 -4.720 7.712 2.739
32 HE1 TYR 5 HE1 TYR 5 -6.333 3.039 3.327
33 HE2 TYR 5 HE2 TYR 5 -3.145 5.819 2.413
34 HH TYR 5 HH TYR 5 -4.236 2.420 2.647
35 H SER 6 H SER 6 -7.257 10.024 1.872
36 HA SER 6 HA SER 6 -6.225 10.351 -0.770
37 1HB SER 6 1HB SER 6 -5.687 12.052 1.702
38 2HB SER 6 2HB SER 6 -5.646 12.576 0.010
39 HG SER 6 HG SER 6 -7.934 12.139 -0.045
40 H ALA 7 H ALA 7 -5.068 8.228 -0.197
41 HA ALA 7 HA ALA 7 -2.602 7.950 1.032
42 1HB ALA 7 1HB ALA 7 -3.181 6.901 -1.765
43 2HB ALA 7 2HB ALA 7 -2.070 6.221 -0.543
44 3HB ALA 7 3HB ALA 7 -3.816 6.175 -0.268
45 H ALA 8 H ALA 8 -0.649 8.777 0.855
46 HA ALA 8 HA ALA 8 -0.306 11.270 -0.239
47 1HB ALA 8 1HB ALA 8 2.195 10.811 0.356
48 2HB ALA 8 2HB ALA 8 0.962 10.746 1.623
49 3HB ALA 8 3HB ALA 8 1.576 9.243 0.945
50 HA PRO 9 HA PRO 9 0.458 11.396 -4.379
51 1HB PRO 9 1HB PRO 9 2.795 12.931 -4.652
52 2HB PRO 9 2HB PRO 9 1.113 13.494 -4.485
53 1HG PRO 9 1HG PRO 9 3.197 13.106 -2.320
54 2HG PRO 9 2HG PRO 9 2.064 14.480 -2.545
55 1HD PRO 9 1HD PRO 9 1.524 12.583 -0.765
56 2HD PRO 9 2HD PRO 9 0.209 13.146 -1.832
57 H ARG 10 H ARG 10 0.710 9.599 -5.280
58 HA ARG 10 HA ARG 10 2.755 7.736 -5.236
59 1HB ARG 10 1HB ARG 10 1.947 7.012 -7.548
60 2HB ARG 10 2HB ARG 10 0.864 6.957 -6.197
61 1HG ARG 10 1HG ARG 10 -0.666 8.167 -7.295
62 2HG ARG 10 2HG ARG 10 0.435 9.525 -7.467
63 1HD ARG 10 1HD ARG 10 0.313 7.158 -9.379
64 2HD ARG 10 2HD ARG 10 -0.501 8.718 -9.618
65 HE ARG 10 HE ARG 10 2.210 9.238 -9.087
66 1HH1 ARG 10 1HH1 ARG 10 0.252 7.877 -11.717
67 2HH1 ARG 10 2HH1 ARG 10 1.372 8.265 -12.966
68 1HH2 ARG 10 1HH2 ARG 10 3.711 9.745 -10.695
69 2HH2 ARG 10 2HH2 ARG 10 3.427 9.378 -12.359
70 H GLY 11 H GLY 11 4.753 7.865 -5.647
71 1HA GLY 11 1HA GLY 11 6.784 8.192 -6.769
72 2HA GLY 11 2HA GLY 11 5.822 8.536 -8.213
73 H ARG 12 H ARG 12 5.079 10.586 -5.596
74 HA ARG 12 HA ARG 12 6.949 12.737 -6.440
75 1HB ARG 12 1HB ARG 12 3.923 12.735 -6.475
76 2HB ARG 12 2HB ARG 12 4.762 14.239 -6.124
77 1HG ARG 12 1HG ARG 12 5.299 12.569 -8.623
78 2HG ARG 12 2HG ARG 12 4.041 13.797 -8.547
79 1HD ARG 12 1HD ARG 12 7.000 14.336 -8.053
80 2HD ARG 12 2HD ARG 12 6.141 14.629 -9.574
81 HE ARG 12 HE ARG 12 4.774 15.923 -7.442
82 1HH1 ARG 12 1HH1 ARG 12 7.744 16.300 -9.345
83 2HH1 ARG 12 2HH1 ARG 12 7.834 18.010 -9.160
84 1HH2 ARG 12 1HH2 ARG 12 4.877 18.224 -7.179
85 2HH2 ARG 12 2HH2 ARG 12 6.150 19.126 -7.890
86 H PHE 13 H PHE 13 7.942 11.727 -4.541
87 HA PHE 13 HA PHE 13 8.224 11.140 -2.372
88 1HB PHE 13 1HB PHE 13 7.708 14.098 -2.417
89 2HB PHE 13 2HB PHE 13 8.433 13.270 -1.030
90 HD1 PHE 13 HD1 PHE 13 10.628 11.967 -1.394
91 HD2 PHE 13 HD2 PHE 13 9.052 14.777 -4.266
92 HE1 PHE 13 HE1 PHE 13 12.849 12.107 -2.486
93 HE2 PHE 13 HE2 PHE 13 11.286 14.908 -5.351
94 HZ PHE 13 HZ PHE 13 13.179 13.565 -4.467
95 H GLY 14 H GLY 14 6.089 9.833 -2.540
96 1HA GLY 14 1HA GLY 14 4.594 10.417 -0.135
97 2HA GLY 14 2HA GLY 14 3.658 10.508 -1.640
98 H ILE 15 H ILE 15 3.024 8.739 0.249
99 HA ILE 15 HA ILE 15 3.926 5.979 -0.453
100 HB ILE 15 HB ILE 15 2.770 7.226 2.058
101 1HG1 ILE 15 1HG1 ILE 15 5.534 6.029 1.578
102 2HG1 ILE 15 2HG1 ILE 15 5.173 7.748 1.684
103 1HG2 ILE 15 1HG2 ILE 15 1.892 4.932 1.736
104 2HG2 ILE 15 2HG2 ILE 15 3.540 4.318 1.591
105 3HG2 ILE 15 3HG2 ILE 15 2.967 5.021 3.115
106 1HD1 ILE 15 1HD1 ILE 15 4.941 5.733 3.940
107 2HD1 ILE 15 2HD1 ILE 15 6.072 7.082 3.783
108 3HD1 ILE 15 3HD1 ILE 15 4.346 7.411 4.027
109 HA PRO 16 HA PRO 16 -0.398 6.265 -1.926
110 1HB PRO 16 1HB PRO 16 -0.169 4.597 -4.092
111 2HB PRO 16 2HB PRO 16 0.323 6.314 -4.116
112 1HG PRO 16 1HG PRO 16 2.087 3.885 -3.644
113 2HG PRO 16 2HG PRO 16 2.352 5.227 -4.806
114 1HD PRO 16 1HD PRO 16 3.532 5.213 -2.360
115 2HD PRO 16 2HD PRO 16 2.931 6.734 -3.058
116 H PHE 17 H PHE 17 -1.547 3.825 -2.674
117 HA PHE 17 HA PHE 17 -1.753 2.315 -0.315
118 1HB PHE 17 1HB PHE 17 -3.124 0.812 -1.798
119 2HB PHE 17 2HB PHE 17 -3.552 2.505 -1.893
120 HD1 PHE 17 HD1 PHE 17 -3.565 3.660 -3.982
121 HD2 PHE 17 HD2 PHE 17 -1.623 -0.190 -3.691
122 HE1 PHE 17 HE1 PHE 17 -3.224 3.636 -6.433
123 HE2 PHE 17 HE2 PHE 17 -1.278 -0.194 -6.141
124 HZ PHE 17 HZ PHE 17 -2.075 1.713 -7.518
125 H PHE 18 H PHE 18 1.103 2.290 -1.495
126 HA PHE 18 HA PHE 18 1.636 -0.217 -2.694
127 1HB PHE 18 1HB PHE 18 3.903 0.195 -2.522
128 2HB PHE 18 2HB PHE 18 3.185 1.781 -2.635
129 HD1 PHE 18 HD1 PHE 18 4.551 -0.656 -0.106
130 HD2 PHE 18 HD2 PHE 18 4.048 3.457 -1.281
131 HE1 PHE 18 HE1 PHE 18 6.096 0.044 1.687
132 HE2 PHE 18 HE2 PHE 18 5.705 4.132 0.430
133 HZ PHE 18 HZ PHE 18 6.690 2.441 1.955
134 HA PRO 19 HA PRO 19 2.709 -1.952 1.632
135 1HB PRO 19 1HB PRO 19 1.095 -1.307 3.789
136 2HB PRO 19 2HB PRO 19 2.680 -0.567 3.410
137 1HG PRO 19 1HG PRO 19 -0.079 0.461 2.698
138 2HG PRO 19 2HG PRO 19 1.296 1.367 3.412
139 1HD PRO 19 1HD PRO 19 0.787 1.509 0.818
140 2HD PRO 19 2HD PRO 19 2.476 1.364 1.358
141 H VAL 20 H VAL 20 -0.452 -1.546 0.210
142 HA VAL 20 HA VAL 20 -1.913 -3.684 1.350
143 HB VAL 20 HB VAL 20 -1.712 -2.420 -1.414
144 1HG1 VAL 20 1HG1 VAL 20 -3.568 -4.694 -0.715
145 2HG1 VAL 20 2HG1 VAL 20 -3.727 -3.614 -2.136
146 3HG1 VAL 20 3HG1 VAL 20 -2.330 -4.658 -1.981
147 1HG2 VAL 20 1HG2 VAL 20 -2.798 -1.116 0.415
148 2HG2 VAL 20 2HG2 VAL 20 -3.940 -1.533 -0.866
149 3HG2 VAL 20 3HG2 VAL 20 -3.956 -2.443 0.658
150 H HIS 21 H HIS 21 0.331 -3.712 -1.425
151 HA HIS 21 HA HIS 21 0.055 -6.469 -2.039
152 1HB HIS 21 1HB HIS 21 1.974 -4.231 -2.558
153 2HB HIS 21 2HB HIS 21 2.419 -5.857 -3.095
154 HD1 HIS 21 HD1 HIS 21 -1.271 -4.778 -3.543
155 HD2 HIS 21 HD2 HIS 21 2.415 -4.831 -5.602
156 HE1 HIS 21 HE1 HIS 21 -1.791 -4.303 -5.984
157 H LEU 22 H LEU 22 2.211 -4.779 0.155
158 HA LEU 22 HA LEU 22 3.865 -7.096 0.777
159 1HB LEU 22 1HB LEU 22 3.587 -4.327 2.037
160 2HB LEU 22 2HB LEU 22 4.707 -5.545 2.585
161 HG LEU 22 HG LEU 22 6.054 -4.212 1.302
162 1HD1 LEU 22 1HD1 LEU 22 5.211 -6.261 -0.794
163 2HD1 LEU 22 2HD1 LEU 22 6.775 -5.452 -0.637
164 3HD1 LEU 22 3HD1 LEU 22 6.264 -6.612 0.601
165 1HD2 LEU 22 1HD2 LEU 22 4.255 -2.848 0.272
166 2HD2 LEU 22 2HD2 LEU 22 5.585 -3.216 -0.828
167 3HD2 LEU 22 3HD2 LEU 22 4.050 -4.082 -0.987
168 H LYS 23 H LYS 23 1.250 -5.305 2.563
169 HA LYS 23 HA LYS 23 1.230 -7.149 4.741
170 1HB LYS 23 1HB LYS 23 0.170 -4.957 4.906
171 2HB LYS 23 2HB LYS 23 -0.944 -5.350 3.599
172 1HG LYS 23 1HG LYS 23 -2.055 -5.435 5.769
173 2HG LYS 23 2HG LYS 23 -2.088 -6.996 4.964
174 1HD LYS 23 1HD LYS 23 -0.248 -7.796 6.443
175 2HD LYS 23 2HD LYS 23 -0.222 -6.213 7.253
176 1HE LYS 23 1HE LYS 23 -2.540 -6.535 8.004
177 2HE LYS 23 2HE LYS 23 -2.674 -8.027 7.070
178 1HZ LYS 23 1HZ LYS 23 -0.876 -7.642 9.389
179 2HZ LYS 23 2HZ LYS 23 -2.284 -8.480 9.392
180 3HZ LYS 23 3HZ LYS 23 -1.020 -9.030 8.510
181 H ARG 24 H ARG 24 -0.157 -7.323 1.494
182 HA ARG 24 HA ARG 24 -1.816 -9.621 1.960
183 1HB ARG 24 1HB ARG 24 -2.202 -8.324 0.033
184 2HB ARG 24 2HB ARG 24 -0.549 -8.392 -0.499
185 1HG ARG 24 1HG ARG 24 -2.482 -10.752 -0.510
186 2HG ARG 24 2HG ARG 24 -2.167 -9.685 -1.867
187 1HD ARG 24 1HD ARG 24 -0.414 -11.851 -0.750
188 2HD ARG 24 2HD ARG 24 -0.906 -11.532 -2.408
189 HE ARG 24 HE ARG 24 0.718 -9.376 -1.403
190 1HH1 ARG 24 1HH1 ARG 24 1.063 -12.704 -2.586
191 2HH1 ARG 24 2HH1 ARG 24 2.728 -12.538 -2.993
192 1HH2 ARG 24 1HH2 ARG 24 2.840 -9.133 -1.857
193 2HH2 ARG 24 2HH2 ARG 24 3.790 -10.378 -2.614
194 H LEU 25 H LEU 25 1.685 -9.309 1.364
195 HA LEU 25 HA LEU 25 2.136 -12.131 0.956
196 1HB LEU 25 1HB LEU 25 3.692 -10.133 0.447
197 2HB LEU 25 2HB LEU 25 4.113 -10.135 2.150
198 HG LEU 25 HG LEU 25 4.399 -12.596 0.372
199 1HD1 LEU 25 1HD1 LEU 25 6.483 -10.463 1.005
200 2HD1 LEU 25 2HD1 LEU 25 6.771 -11.974 0.122
201 3HD1 LEU 25 3HD1 LEU 25 5.719 -10.740 -0.577
202 1HD2 LEU 25 1HD2 LEU 25 4.542 -13.201 2.736
203 2HD2 LEU 25 2HD2 LEU 25 6.161 -13.221 2.069
204 3HD2 LEU 25 3HD2 LEU 25 5.647 -11.846 3.065
205 H LEU 26 H LEU 26 2.241 -9.926 3.771
206 HA LEU 26 HA LEU 26 2.859 -11.962 5.678
207 1HB LEU 26 1HB LEU 26 3.235 -9.595 6.110
208 2HB LEU 26 2HB LEU 26 1.503 -9.267 6.018
209 HG LEU 26 HG LEU 26 1.108 -10.605 8.062
210 1HD1 LEU 26 1HD1 LEU 26 2.961 -12.235 7.960
211 2HD1 LEU 26 2HD1 LEU 26 4.153 -10.929 8.126
212 3HD1 LEU 26 3HD1 LEU 26 3.052 -11.325 9.462
213 1HD2 LEU 26 1HD2 LEU 26 1.579 -8.167 8.191
214 2HD2 LEU 26 2HD2 LEU 26 2.132 -9.045 9.638
215 3HD2 LEU 26 3HD2 LEU 26 3.300 -8.529 8.412
216 H ILE 27 H ILE 27 -0.332 -10.803 4.498
217 HA ILE 27 HA ILE 27 -1.913 -12.346 6.325
218 HB ILE 27 HB ILE 27 -2.443 -11.192 3.562
219 1HG1 ILE 27 1HG1 ILE 27 -3.628 -10.490 6.288
220 2HG1 ILE 27 2HG1 ILE 27 -2.186 -9.719 5.668
221 1HG2 ILE 27 1HG2 ILE 27 -4.444 -12.654 5.352
222 2HG2 ILE 27 2HG2 ILE 27 -4.861 -11.735 3.889
223 3HG2 ILE 27 3HG2 ILE 27 -3.890 -13.188 3.758
224 1HD1 ILE 27 1HD1 ILE 27 -4.942 -9.572 4.384
225 2HD1 ILE 27 2HD1 ILE 27 -4.086 -8.287 5.237
226 3HD1 ILE 27 3HD1 ILE 27 -3.452 -8.886 3.690
227 H LEU 28 H LEU 28 -0.661 -13.091 3.001
228 HA LEU 28 HA LEU 28 -1.641 -15.771 2.952
229 1HB LEU 28 1HB LEU 28 -0.777 -14.349 1.062
230 2HB LEU 28 2HB LEU 28 0.853 -14.747 1.597
231 HG LEU 28 HG LEU 28 0.010 -16.097 -0.238
232 1HD1 LEU 28 1HD1 LEU 28 1.655 -17.008 1.511
233 2HD1 LEU 28 2HD1 LEU 28 0.309 -18.042 2.034
234 3HD1 LEU 28 3HD1 LEU 28 0.883 -18.155 0.378
235 1HD2 LEU 28 1HD2 LEU 28 -1.925 -17.475 1.684
236 2HD2 LEU 28 2HD2 LEU 28 -2.430 -16.250 0.520
237 3HD2 LEU 28 3HD2 LEU 28 -1.731 -17.791 -0.032
238 H LEU 29 H LEU 29 1.536 -14.583 4.030
239 HA LEU 29 HA LEU 29 2.573 -17.054 4.863
240 1HB LEU 29 1HB LEU 29 3.823 -14.928 4.806
241 2HB LEU 29 2HB LEU 29 2.914 -14.313 6.172
242 HG LEU 29 HG LEU 29 5.259 -15.050 6.593
243 1HD1 LEU 29 1HD1 LEU 29 3.585 -14.787 8.432
244 2HD1 LEU 29 2HD1 LEU 29 3.328 -16.546 8.386
245 3HD1 LEU 29 3HD1 LEU 29 4.920 -15.900 8.776
246 1HD2 LEU 29 1HD2 LEU 29 5.260 -17.107 5.216
247 2HD2 LEU 29 2HD2 LEU 29 5.833 -17.380 6.870
248 3HD2 LEU 29 3HD2 LEU 29 4.204 -17.893 6.411
249 H LEU 30 H LEU 30 0.360 -14.934 6.713
250 HA LEU 30 HA LEU 30 0.255 -16.678 9.010
251 1HB LEU 30 1HB LEU 30 -0.315 -14.238 8.973
252 2HB LEU 30 2HB LEU 30 -1.740 -14.621 8.026
253 HG LEU 30 HG LEU 30 -2.660 -15.984 9.889
254 1HD1 LEU 30 1HD1 LEU 30 -0.194 -15.009 11.418
255 2HD1 LEU 30 2HD1 LEU 30 -1.623 -15.773 12.157
256 3HD1 LEU 30 3HD1 LEU 30 -0.620 -16.696 11.047
257 1HD2 LEU 30 1HD2 LEU 30 -3.206 -14.095 11.351
258 2HD2 LEU 30 2HD2 LEU 30 -1.854 -13.154 10.678
259 3HD2 LEU 30 3HD2 LEU 30 -3.242 -13.607 9.652
260 H LEU 31 H LEU 31 -1.742 -16.331 6.095
261 HA LEU 31 HA LEU 31 -3.113 -18.868 6.633
262 1HB LEU 31 1HB LEU 31 -4.513 -16.980 7.473
263 2HB LEU 31 2HB LEU 31 -4.424 -16.231 5.876
264 HG LEU 31 HG LEU 31 -5.609 -18.225 4.911
265 1HD1 LEU 31 1HD1 LEU 31 -5.905 -19.051 7.836
266 2HD1 LEU 31 2HD1 LEU 31 -6.807 -19.756 6.477
267 3HD1 LEU 31 3HD1 LEU 31 -5.058 -19.958 6.565
268 1HD2 LEU 31 1HD2 LEU 31 -7.823 -17.631 5.807
269 2HD2 LEU 31 2HD2 LEU 31 -7.060 -16.820 7.193
270 3HD2 LEU 31 3HD2 LEU 31 -6.835 -16.187 5.545
271 1HN NH2 32 1HN NH2 32 -1.448 -19.549 5.132
272 2HN NH2 32 2HN NH2 32 -1.786 -19.385 3.424
Start of MODEL 18
1 1H SER 1 1H SER 1 -13.341 21.991 -3.429
2 2H SER 1 2H SER 1 -12.685 20.486 -3.324
3 3H SER 1 3H SER 1 -11.709 21.791 -3.085
4 HA SER 1 HA SER 1 -11.834 22.376 -5.353
5 1HB SER 1 1HB SER 1 -11.156 20.015 -6.319
6 2HB SER 1 2HB SER 1 -10.165 20.749 -5.049
7 HG SER 1 HG SER 1 -11.030 18.433 -4.957
8 HA PRO 2 HA PRO 2 -15.529 20.727 -7.646
9 1HB PRO 2 1HB PRO 2 -14.435 19.960 -10.056
10 2HB PRO 2 2HB PRO 2 -14.803 21.668 -9.660
11 1HG PRO 2 1HG PRO 2 -12.145 20.220 -9.440
12 2HG PRO 2 2HG PRO 2 -12.481 21.810 -10.200
13 1HD PRO 2 1HD PRO 2 -11.517 21.620 -7.671
14 2HD PRO 2 2HD PRO 2 -12.706 22.872 -8.110
15 HA PRO 3 HA PRO 3 -14.803 16.391 -6.783
16 1HB PRO 3 1HB PRO 3 -16.109 14.976 -8.761
17 2HB PRO 3 2HB PRO 3 -16.929 15.801 -7.400
18 1HG PRO 3 1HG PRO 3 -16.514 16.825 -10.224
19 2HG PRO 3 2HG PRO 3 -18.012 16.857 -9.240
20 1HD PRO 3 1HD PRO 3 -16.404 19.030 -9.448
21 2HD PRO 3 2HD PRO 3 -17.199 18.631 -7.898
22 H ASP 4 H ASP 4 -12.618 15.886 -6.965
23 HA ASP 4 HA ASP 4 -11.460 15.344 -9.569
24 1HB ASP 4 1HB ASP 4 -9.594 16.544 -8.929
25 2HB ASP 4 2HB ASP 4 -10.903 17.610 -8.464
26 H TYR 5 H TYR 5 -9.222 14.224 -8.963
27 HA TYR 5 HA TYR 5 -9.655 12.063 -7.011
28 1HB TYR 5 1HB TYR 5 -8.814 10.582 -8.882
29 2HB TYR 5 2HB TYR 5 -10.457 11.157 -9.004
30 HD1 TYR 5 HD1 TYR 5 -7.052 11.371 -10.454
31 HD2 TYR 5 HD2 TYR 5 -11.137 12.716 -10.769
32 HE1 TYR 5 HE1 TYR 5 -6.600 12.218 -12.747
33 HE2 TYR 5 HE2 TYR 5 -10.696 13.575 -13.036
34 HH TYR 5 HH TYR 5 -9.096 13.853 -14.711
35 H SER 6 H SER 6 -8.018 14.328 -6.534
36 HA SER 6 HA SER 6 -5.237 13.737 -7.015
37 1HB SER 6 1HB SER 6 -6.506 15.558 -4.933
38 2HB SER 6 2HB SER 6 -4.827 15.587 -5.512
39 HG SER 6 HG SER 6 -7.233 16.250 -6.815
40 H ALA 7 H ALA 7 -6.046 11.453 -6.299
41 HA ALA 7 HA ALA 7 -6.100 10.710 -3.539
42 1HB ALA 7 1HB ALA 7 -5.293 9.045 -5.971
43 2HB ALA 7 2HB ALA 7 -5.831 8.410 -4.399
44 3HB ALA 7 3HB ALA 7 -6.964 9.310 -5.421
45 H ALA 8 H ALA 8 -4.470 9.031 -2.752
46 HA ALA 8 HA ALA 8 -2.335 10.237 -1.708
47 1HB ALA 8 1HB ALA 8 -1.448 8.020 -1.152
48 2HB ALA 8 2HB ALA 8 -3.202 8.096 -0.931
49 3HB ALA 8 3HB ALA 8 -2.518 7.276 -2.360
50 HA PRO 9 HA PRO 9 0.221 10.967 -5.241
51 1HB PRO 9 1HB PRO 9 2.559 11.871 -3.979
52 2HB PRO 9 2HB PRO 9 1.107 12.841 -4.369
53 1HG PRO 9 1HG PRO 9 1.825 11.515 -1.751
54 2HG PRO 9 2HG PRO 9 1.134 13.142 -2.026
55 1HD PRO 9 1HD PRO 9 -0.395 11.033 -1.271
56 2HD PRO 9 2HD PRO 9 -1.020 12.247 -2.432
57 H ARG 10 H ARG 10 1.824 10.110 -6.441
58 HA ARG 10 HA ARG 10 3.258 7.704 -5.488
59 1HB ARG 10 1HB ARG 10 2.562 6.724 -7.798
60 2HB ARG 10 2HB ARG 10 1.400 6.671 -6.480
61 1HG ARG 10 1HG ARG 10 0.086 8.436 -7.363
62 2HG ARG 10 2HG ARG 10 1.322 8.939 -8.514
63 1HD ARG 10 1HD ARG 10 -0.005 6.210 -8.675
64 2HD ARG 10 2HD ARG 10 -0.718 7.670 -9.385
65 HE ARG 10 HE ARG 10 2.018 7.381 -10.182
66 1HH1 ARG 10 1HH1 ARG 10 -1.258 6.252 -10.935
67 2HH1 ARG 10 2HH1 ARG 10 -0.941 5.907 -12.591
68 1HH2 ARG 10 1HH2 ARG 10 2.478 6.916 -12.421
69 2HH2 ARG 10 2HH2 ARG 10 1.249 6.295 -13.446
70 H GLY 11 H GLY 11 5.303 7.558 -6.389
71 1HA GLY 11 1HA GLY 11 7.119 7.999 -7.699
72 2HA GLY 11 2HA GLY 11 6.029 8.681 -8.912
73 H ARG 12 H ARG 12 5.608 10.365 -6.010
74 HA ARG 12 HA ARG 12 7.867 12.185 -6.238
75 1HB ARG 12 1HB ARG 12 4.980 13.141 -6.601
76 2HB ARG 12 2HB ARG 12 6.346 14.175 -6.164
77 1HG ARG 12 1HG ARG 12 7.467 13.541 -8.332
78 2HG ARG 12 2HG ARG 12 6.023 12.611 -8.756
79 1HD ARG 12 1HD ARG 12 5.840 14.702 -9.865
80 2HD ARG 12 2HD ARG 12 4.648 14.707 -8.573
81 HE ARG 12 HE ARG 12 7.189 16.227 -8.766
82 1HH1 ARG 12 1HH1 ARG 12 4.203 15.709 -6.912
83 2HH1 ARG 12 2HH1 ARG 12 4.315 17.178 -6.020
84 1HH2 ARG 12 1HH2 ARG 12 7.351 18.204 -7.583
85 2HH2 ARG 12 2HH2 ARG 12 6.167 18.628 -6.415
86 H PHE 13 H PHE 13 8.402 11.452 -4.275
87 HA PHE 13 HA PHE 13 8.178 10.683 -2.069
88 1HB PHE 13 1HB PHE 13 7.868 13.693 -2.096
89 2HB PHE 13 2HB PHE 13 8.446 12.737 -0.734
90 HD1 PHE 13 HD1 PHE 13 10.591 11.336 -1.019
91 HD2 PHE 13 HD2 PHE 13 9.380 14.391 -3.821
92 HE1 PHE 13 HE1 PHE 13 12.890 11.410 -1.944
93 HE2 PHE 13 HE2 PHE 13 11.690 14.453 -4.738
94 HZ PHE 13 HZ PHE 13 13.440 12.962 -3.802
95 H GLY 14 H GLY 14 6.154 9.427 -2.099
96 1HA GLY 14 1HA GLY 14 4.116 10.553 -0.372
97 2HA GLY 14 2HA GLY 14 3.612 10.224 -2.048
98 H ILE 15 H ILE 15 2.406 8.859 -0.048
99 HA ILE 15 HA ILE 15 3.521 6.077 -0.055
100 HB ILE 15 HB ILE 15 1.964 7.599 2.055
101 1HG1 ILE 15 1HG1 ILE 15 4.792 6.449 2.134
102 2HG1 ILE 15 2HG1 ILE 15 4.384 8.155 1.997
103 1HG2 ILE 15 1HG2 ILE 15 1.200 5.232 1.881
104 2HG2 ILE 15 2HG2 ILE 15 2.859 4.686 2.121
105 3HG2 ILE 15 3HG2 ILE 15 2.001 5.561 3.404
106 1HD1 ILE 15 1HD1 ILE 15 3.241 8.049 4.222
107 2HD1 ILE 15 2HD1 ILE 15 3.864 6.388 4.408
108 3HD1 ILE 15 3HD1 ILE 15 4.988 7.744 4.263
109 HA PRO 16 HA PRO 16 -0.493 6.073 -2.247
110 1HB PRO 16 1HB PRO 16 0.163 4.382 -4.288
111 2HB PRO 16 2HB PRO 16 0.610 6.112 -4.299
112 1HG PRO 16 1HG PRO 16 2.333 3.757 -3.468
113 2HG PRO 16 2HG PRO 16 2.752 5.088 -4.595
114 1HD PRO 16 1HD PRO 16 3.476 5.115 -1.957
115 2HD PRO 16 2HD PRO 16 3.058 6.610 -2.810
116 H PHE 17 H PHE 17 -1.391 3.577 -3.037
117 HA PHE 17 HA PHE 17 -1.819 2.140 -0.641
118 1HB PHE 17 1HB PHE 17 -2.987 0.552 -2.184
119 2HB PHE 17 2HB PHE 17 -3.456 2.223 -2.382
120 HD1 PHE 17 HD1 PHE 17 -1.427 -0.536 -3.926
121 HD2 PHE 17 HD2 PHE 17 -3.194 3.373 -4.478
122 HE1 PHE 17 HE1 PHE 17 -0.902 -0.632 -6.330
123 HE2 PHE 17 HE2 PHE 17 -2.664 3.260 -6.892
124 HZ PHE 17 HZ PHE 17 -1.511 1.258 -7.827
125 H PHE 18 H PHE 18 1.147 2.227 -1.467
126 HA PHE 18 HA PHE 18 1.951 -0.242 -2.555
127 1HB PHE 18 1HB PHE 18 4.148 0.297 -2.069
128 2HB PHE 18 2HB PHE 18 3.370 1.845 -2.260
129 HD1 PHE 18 HD1 PHE 18 3.590 3.532 -0.574
130 HD2 PHE 18 HD2 PHE 18 4.733 -0.545 0.240
131 HE1 PHE 18 HE1 PHE 18 4.905 4.270 1.398
132 HE2 PHE 18 HE2 PHE 18 5.920 0.196 2.281
133 HZ PHE 18 HZ PHE 18 6.016 2.610 2.856
134 HA PRO 19 HA PRO 19 2.434 -2.047 1.818
135 1HB PRO 19 1HB PRO 19 0.887 -1.267 3.942
136 2HB PRO 19 2HB PRO 19 2.436 -0.494 3.498
137 1HG PRO 19 1HG PRO 19 -0.362 0.392 2.718
138 2HG PRO 19 2HG PRO 19 0.941 1.376 3.468
139 1HD PRO 19 1HD PRO 19 0.533 1.413 0.836
140 2HD PRO 19 2HD PRO 19 2.193 1.403 1.482
141 H VAL 20 H VAL 20 -0.224 -1.803 -0.139
142 HA VAL 20 HA VAL 20 -2.000 -3.740 1.127
143 HB VAL 20 HB VAL 20 -1.609 -2.532 -1.660
144 1HG1 VAL 20 1HG1 VAL 20 -3.468 -4.821 -1.018
145 2HG1 VAL 20 2HG1 VAL 20 -3.663 -3.710 -2.417
146 3HG1 VAL 20 3HG1 VAL 20 -2.239 -4.701 -2.296
147 1HG2 VAL 20 1HG2 VAL 20 -3.850 -1.600 -1.266
148 2HG2 VAL 20 2HG2 VAL 20 -3.978 -2.476 0.271
149 3HG2 VAL 20 3HG2 VAL 20 -2.783 -1.172 0.075
150 H HIS 21 H HIS 21 0.106 -3.937 -1.703
151 HA HIS 21 HA HIS 21 -0.047 -6.647 -2.157
152 1HB HIS 21 1HB HIS 21 2.108 -4.604 -2.561
153 2HB HIS 21 2HB HIS 21 2.105 -6.149 -3.439
154 HD1 HIS 21 HD1 HIS 21 -0.329 -6.225 -5.160
155 HD2 HIS 21 HD2 HIS 21 1.042 -2.591 -3.503
156 HE1 HIS 21 HE1 HIS 21 -1.542 -4.358 -6.389
157 H LEU 22 H LEU 22 2.415 -4.920 -0.251
158 HA LEU 22 HA LEU 22 3.868 -7.251 0.547
159 1HB LEU 22 1HB LEU 22 3.661 -4.501 1.848
160 2HB LEU 22 2HB LEU 22 4.794 -5.755 2.285
161 HG LEU 22 HG LEU 22 6.148 -4.460 0.994
162 1HD1 LEU 22 1HD1 LEU 22 6.591 -5.491 -1.155
163 2HD1 LEU 22 2HD1 LEU 22 6.130 -6.758 -0.007
164 3HD1 LEU 22 3HD1 LEU 22 4.968 -6.189 -1.231
165 1HD2 LEU 22 1HD2 LEU 22 4.389 -2.856 0.318
166 2HD2 LEU 22 2HD2 LEU 22 5.553 -3.195 -0.968
167 3HD2 LEU 22 3HD2 LEU 22 3.944 -3.923 -1.033
168 H LYS 23 H LYS 23 1.195 -5.411 2.235
169 HA LYS 23 HA LYS 23 1.389 -7.165 4.537
170 1HB LYS 23 1HB LYS 23 0.427 -4.915 4.617
171 2HB LYS 23 2HB LYS 23 -0.917 -5.445 3.566
172 1HG LYS 23 1HG LYS 23 -1.806 -6.849 5.266
173 2HG LYS 23 2HG LYS 23 -0.327 -6.774 6.229
174 1HD LYS 23 1HD LYS 23 -2.146 -5.451 7.201
175 2HD LYS 23 2HD LYS 23 -0.736 -4.467 6.845
176 1HE LYS 23 1HE LYS 23 -3.099 -4.663 4.924
177 2HE LYS 23 2HE LYS 23 -3.118 -3.562 6.304
178 1HZ LYS 23 1HZ LYS 23 -1.145 -2.494 5.438
179 2HZ LYS 23 2HZ LYS 23 -1.112 -3.470 4.114
180 3HZ LYS 23 3HZ LYS 23 -2.365 -2.434 4.344
181 H ARG 24 H ARG 24 -0.195 -7.361 1.404
182 HA ARG 24 HA ARG 24 -1.838 -9.634 2.050
183 1HB ARG 24 1HB ARG 24 -2.387 -8.304 0.151
184 2HB ARG 24 2HB ARG 24 -0.813 -8.511 -0.575
185 1HG ARG 24 1HG ARG 24 -2.215 -11.102 -0.169
186 2HG ARG 24 2HG ARG 24 -3.131 -9.957 -1.123
187 1HD ARG 24 1HD ARG 24 -1.806 -11.307 -2.619
188 2HD ARG 24 2HD ARG 24 -1.273 -9.637 -2.680
189 HE ARG 24 HE ARG 24 0.766 -10.178 -1.731
190 1HH1 ARG 24 1HH1 ARG 24 -1.304 -13.045 -1.480
191 2HH1 ARG 24 2HH1 ARG 24 -0.025 -14.192 -1.553
192 1HH2 ARG 24 1HH2 ARG 24 2.517 -11.712 -1.892
193 2HH2 ARG 24 2HH2 ARG 24 2.211 -13.399 -1.735
194 H LEU 25 H LEU 25 1.590 -9.300 1.189
195 HA LEU 25 HA LEU 25 2.028 -12.133 0.784
196 1HB LEU 25 1HB LEU 25 3.542 -10.165 0.110
197 2HB LEU 25 2HB LEU 25 4.079 -10.106 1.780
198 HG LEU 25 HG LEU 25 4.239 -12.660 0.133
199 1HD1 LEU 25 1HD1 LEU 25 6.350 -10.477 0.398
200 2HD1 LEU 25 2HD1 LEU 25 6.573 -12.051 -0.387
201 3HD1 LEU 25 3HD1 LEU 25 5.445 -10.881 -1.079
202 1HD2 LEU 25 1HD2 LEU 25 6.148 -13.162 1.698
203 2HD2 LEU 25 2HD2 LEU 25 5.747 -11.702 2.620
204 3HD2 LEU 25 3HD2 LEU 25 4.609 -13.063 2.528
205 H LEU 26 H LEU 26 2.377 -9.902 3.553
206 HA LEU 26 HA LEU 26 3.107 -11.877 5.446
207 1HB LEU 26 1HB LEU 26 3.354 -9.459 5.831
208 2HB LEU 26 2HB LEU 26 1.597 -9.272 5.884
209 HG LEU 26 HG LEU 26 1.486 -10.691 7.920
210 1HD1 LEU 26 1HD1 LEU 26 4.540 -10.711 7.721
211 2HD1 LEU 26 2HD1 LEU 26 3.605 -11.210 9.147
212 3HD1 LEU 26 3HD1 LEU 26 3.457 -12.125 7.654
213 1HD2 LEU 26 1HD2 LEU 26 1.676 -8.247 8.100
214 2HD2 LEU 26 2HD2 LEU 26 2.490 -9.056 9.445
215 3HD2 LEU 26 3HD2 LEU 26 3.453 -8.374 8.118
216 H ILE 27 H ILE 27 -0.193 -10.685 4.632
217 HA ILE 27 HA ILE 27 -1.598 -12.298 6.489
218 HB ILE 27 HB ILE 27 -2.364 -11.067 3.820
219 1HG1 ILE 27 1HG1 ILE 27 -3.338 -10.406 6.640
220 2HG1 ILE 27 2HG1 ILE 27 -1.896 -9.670 5.965
221 1HG2 ILE 27 1HG2 ILE 27 -3.836 -13.027 4.073
222 2HG2 ILE 27 2HG2 ILE 27 -4.220 -12.554 5.736
223 3HG2 ILE 27 3HG2 ILE 27 -4.759 -11.563 4.364
224 1HD1 ILE 27 1HD1 ILE 27 -3.230 -8.734 4.082
225 2HD1 ILE 27 2HD1 ILE 27 -4.707 -9.393 4.825
226 3HD1 ILE 27 3HD1 ILE 27 -3.768 -8.166 5.678
227 H LEU 28 H LEU 28 -0.542 -13.045 3.103
228 HA LEU 28 HA LEU 28 -1.638 -15.708 3.117
229 1HB LEU 28 1HB LEU 28 -0.916 -14.293 1.157
230 2HB LEU 28 2HB LEU 28 0.748 -14.723 1.549
231 HG LEU 28 HG LEU 28 -0.264 -16.041 -0.207
232 1HD1 LEU 28 1HD1 LEU 28 0.596 -18.137 0.325
233 2HD1 LEU 28 2HD1 LEU 28 1.490 -17.016 1.393
234 3HD1 LEU 28 3HD1 LEU 28 0.164 -18.011 2.023
235 1HD2 LEU 28 1HD2 LEU 28 -2.032 -17.694 0.123
236 2HD2 LEU 28 2HD2 LEU 28 -2.085 -17.378 1.848
237 3HD2 LEU 28 3HD2 LEU 28 -2.642 -16.133 0.731
238 H LEU 29 H LEU 29 1.632 -14.534 3.914
239 HA LEU 29 HA LEU 29 2.728 -17.030 4.623
240 1HB LEU 29 1HB LEU 29 4.035 -14.937 4.435
241 2HB LEU 29 2HB LEU 29 3.225 -14.288 5.860
242 HG LEU 29 HG LEU 29 4.266 -16.057 7.273
243 1HD1 LEU 29 1HD1 LEU 29 6.171 -17.359 6.340
244 2HD1 LEU 29 2HD1 LEU 29 4.641 -17.829 5.606
245 3HD1 LEU 29 3HD1 LEU 29 5.767 -16.783 4.707
246 1HD2 LEU 29 1HD2 LEU 29 6.526 -15.094 7.219
247 2HD2 LEU 29 2HD2 LEU 29 6.210 -14.397 5.615
248 3HD2 LEU 29 3HD2 LEU 29 5.294 -13.841 7.037
249 H LEU 30 H LEU 30 0.661 -14.917 6.615
250 HA LEU 30 HA LEU 30 0.743 -16.618 8.953
251 1HB LEU 30 1HB LEU 30 0.167 -14.220 9.027
252 2HB LEU 30 2HB LEU 30 -1.241 -14.524 8.025
253 HG LEU 30 HG LEU 30 -2.234 -15.951 9.822
254 1HD1 LEU 30 1HD1 LEU 30 -0.213 -16.680 11.012
255 2HD1 LEU 30 2HD1 LEU 30 0.173 -14.999 11.450
256 3HD1 LEU 30 3HD1 LEU 30 -1.268 -15.802 12.116
257 1HD2 LEU 30 1HD2 LEU 30 -2.819 -13.580 9.607
258 2HD2 LEU 30 2HD2 LEU 30 -2.823 -14.088 11.302
259 3HD2 LEU 30 3HD2 LEU 30 -1.462 -13.131 10.671
260 H LEU 31 H LEU 31 -1.575 -16.206 6.258
261 HA LEU 31 HA LEU 31 -2.831 -18.786 6.874
262 1HB LEU 31 1HB LEU 31 -4.157 -16.951 7.864
263 2HB LEU 31 2HB LEU 31 -4.216 -16.146 6.296
264 HG LEU 31 HG LEU 31 -5.546 -18.029 5.368
265 1HD1 LEU 31 1HD1 LEU 31 -5.430 -19.145 8.207
266 2HD1 LEU 31 2HD1 LEU 31 -6.523 -19.717 6.927
267 3HD1 LEU 31 3HD1 LEU 31 -4.780 -19.915 6.742
268 1HD2 LEU 31 1HD2 LEU 31 -6.676 -16.891 7.957
269 2HD2 LEU 31 2HD2 LEU 31 -6.662 -16.073 6.379
270 3HD2 LEU 31 3HD2 LEU 31 -7.614 -17.549 6.599
271 1HN NH2 32 1HN NH2 32 -1.303 -19.447 5.234
272 2HN NH2 32 2HN NH2 32 -1.802 -19.299 3.564
Start of MODEL 19
1 1H SER 1 1H SER 1 -20.507 16.387 3.954
2 2H SER 1 2H SER 1 -21.419 16.478 5.329
3 3H SER 1 3H SER 1 -21.326 17.772 4.272
4 HA SER 1 HA SER 1 -19.923 18.059 6.271
5 1HB SER 1 1HB SER 1 -17.793 16.611 6.149
6 2HB SER 1 2HB SER 1 -19.276 15.752 6.585
7 HG SER 1 HG SER 1 -17.743 15.640 4.268
8 HA PRO 2 HA PRO 2 -17.089 20.057 3.114
9 1HB PRO 2 1HB PRO 2 -14.646 19.959 4.395
10 2HB PRO 2 2HB PRO 2 -15.880 21.207 4.752
11 1HG PRO 2 1HG PRO 2 -15.361 18.602 6.229
12 2HG PRO 2 2HG PRO 2 -15.510 20.251 6.921
13 1HD PRO 2 1HD PRO 2 -17.618 18.562 6.908
14 2HD PRO 2 2HD PRO 2 -17.849 20.291 6.552
15 HA PRO 3 HA PRO 3 -15.367 16.196 1.533
16 1HB PRO 3 1HB PRO 3 -13.255 16.950 -0.022
17 2HB PRO 3 2HB PRO 3 -14.936 17.390 -0.444
18 1HG PRO 3 1HG PRO 3 -12.890 19.075 1.041
19 2HG PRO 3 2HG PRO 3 -13.872 19.542 -0.386
20 1HD PRO 3 1HD PRO 3 -14.625 20.178 2.152
21 2HD PRO 3 2HD PRO 3 -15.836 19.733 0.915
22 H ASP 4 H ASP 4 -12.835 15.182 1.265
23 HA ASP 4 HA ASP 4 -11.778 15.146 3.965
24 1HB ASP 4 1HB ASP 4 -10.625 13.198 3.206
25 2HB ASP 4 2HB ASP 4 -12.271 13.044 2.594
26 H TYR 5 H TYR 5 -9.243 14.795 3.568
27 HA TYR 5 HA TYR 5 -8.109 17.138 2.169
28 1HB TYR 5 1HB TYR 5 -6.788 17.405 4.333
29 2HB TYR 5 2HB TYR 5 -8.459 17.912 4.334
30 HD1 TYR 5 HD1 TYR 5 -6.098 15.274 5.516
31 HD2 TYR 5 HD2 TYR 5 -10.101 16.867 5.762
32 HE1 TYR 5 HE1 TYR 5 -6.557 13.818 7.473
33 HE2 TYR 5 HE2 TYR 5 -10.565 15.430 7.712
34 HH TYR 5 HH TYR 5 -9.675 13.879 9.215
35 H SER 6 H SER 6 -8.040 14.373 1.237
36 HA SER 6 HA SER 6 -5.508 13.186 1.825
37 1HB SER 6 1HB SER 6 -7.341 12.813 -0.570
38 2HB SER 6 2HB SER 6 -5.989 11.757 -0.107
39 HG SER 6 HG SER 6 -8.441 12.245 1.154
40 H ALA 7 H ALA 7 -4.864 15.799 1.415
41 HA ALA 7 HA ALA 7 -3.714 16.328 -1.209
42 1HB ALA 7 1HB ALA 7 -4.406 18.134 0.322
43 2HB ALA 7 2HB ALA 7 -3.215 17.586 1.528
44 3HB ALA 7 3HB ALA 7 -2.673 18.236 -0.033
45 H ALA 8 H ALA 8 -2.866 14.091 1.131
46 HA ALA 8 HA ALA 8 -0.216 14.344 1.698
47 1HB ALA 8 1HB ALA 8 -1.714 12.591 2.612
48 2HB ALA 8 2HB ALA 8 -1.681 11.744 1.046
49 3HB ALA 8 3HB ALA 8 -0.201 11.886 2.011
50 HA PRO 9 HA PRO 9 1.970 14.252 -2.058
51 1HB PRO 9 1HB PRO 9 4.432 13.179 -1.385
52 2HB PRO 9 2HB PRO 9 3.896 14.832 -0.962
53 1HG PRO 9 1HG PRO 9 3.782 12.335 0.752
54 2HG PRO 9 2HG PRO 9 4.370 13.968 1.208
55 1HD PRO 9 1HD PRO 9 1.868 13.148 1.844
56 2HD PRO 9 2HD PRO 9 2.158 14.831 1.307
57 H ARG 10 H ARG 10 2.169 13.005 -3.842
58 HA ARG 10 HA ARG 10 2.842 10.242 -3.842
59 1HB ARG 10 1HB ARG 10 0.737 9.461 -4.946
60 2HB ARG 10 2HB ARG 10 0.574 9.837 -3.239
61 1HG ARG 10 1HG ARG 10 -0.438 12.089 -3.909
62 2HG ARG 10 2HG ARG 10 -0.454 11.501 -5.582
63 1HD ARG 10 1HD ARG 10 -1.830 9.560 -4.879
64 2HD ARG 10 2HD ARG 10 -1.762 10.094 -3.199
65 HE ARG 10 HE ARG 10 -3.518 11.025 -5.285
66 1HH1 ARG 10 1HH1 ARG 10 -1.888 12.334 -2.312
67 2HH1 ARG 10 2HH1 ARG 10 -3.349 13.068 -1.791
68 1HH2 ARG 10 1HH2 ARG 10 -5.408 12.222 -4.452
69 2HH2 ARG 10 2HH2 ARG 10 -5.202 13.100 -2.972
70 H GLY 11 H GLY 11 3.313 9.605 -6.076
71 1HA GLY 11 1HA GLY 11 4.082 9.993 -8.195
72 2HA GLY 11 2HA GLY 11 2.984 11.375 -8.315
73 H ARG 12 H ARG 12 4.940 11.809 -5.605
74 HA ARG 12 HA ARG 12 7.406 12.746 -6.580
75 1HB ARG 12 1HB ARG 12 5.254 14.729 -5.647
76 2HB ARG 12 2HB ARG 12 6.979 15.013 -5.397
77 1HG ARG 12 1HG ARG 12 7.374 14.884 -7.844
78 2HG ARG 12 2HG ARG 12 5.629 14.681 -8.104
79 1HD ARG 12 1HD ARG 12 5.157 16.877 -7.169
80 2HD ARG 12 2HD ARG 12 6.835 17.064 -6.657
81 HE ARG 12 HE ARG 12 7.416 17.782 -8.693
82 1HH1 ARG 12 1HH1 ARG 12 4.355 16.062 -9.129
83 2HH1 ARG 12 2HH1 ARG 12 4.112 16.560 -10.763
84 1HH2 ARG 12 1HH2 ARG 12 7.141 18.451 -10.881
85 2HH2 ARG 12 2HH2 ARG 12 5.771 17.954 -11.790
86 H PHE 13 H PHE 13 8.366 11.703 -5.020
87 HA PHE 13 HA PHE 13 8.647 10.347 -3.097
88 1HB PHE 13 1HB PHE 13 8.808 13.253 -2.277
89 2HB PHE 13 2HB PHE 13 9.599 11.916 -1.440
90 HD1 PHE 13 HD1 PHE 13 11.258 10.448 -2.888
91 HD2 PHE 13 HD2 PHE 13 9.974 14.432 -3.953
92 HE1 PHE 13 HE1 PHE 13 13.200 10.675 -4.412
93 HE2 PHE 13 HE2 PHE 13 11.926 14.646 -5.471
94 HZ PHE 13 HZ PHE 13 13.533 12.767 -5.707
95 H GLY 14 H GLY 14 6.480 9.350 -2.828
96 1HA GLY 14 1HA GLY 14 5.090 10.339 -0.446
97 2HA GLY 14 2HA GLY 14 4.218 10.388 -1.984
98 H ILE 15 H ILE 15 2.934 8.999 -0.351
99 HA ILE 15 HA ILE 15 3.739 6.113 -0.323
100 HB ILE 15 HB ILE 15 2.016 7.836 1.475
101 1HG1 ILE 15 1HG1 ILE 15 3.838 6.568 3.103
102 2HG1 ILE 15 2HG1 ILE 15 4.798 6.738 1.641
103 1HG2 ILE 15 1HG2 ILE 15 0.844 5.760 1.384
104 2HG2 ILE 15 2HG2 ILE 15 2.324 4.820 1.554
105 3HG2 ILE 15 3HG2 ILE 15 1.719 5.806 2.904
106 1HD1 ILE 15 1HD1 ILE 15 5.110 8.624 3.197
107 2HD1 ILE 15 2HD1 ILE 15 4.388 9.206 1.689
108 3HD1 ILE 15 3HD1 ILE 15 3.376 8.991 3.136
109 HA PRO 16 HA PRO 16 0.071 5.923 -3.015
110 1HB PRO 16 1HB PRO 16 0.839 3.801 -4.574
111 2HB PRO 16 2HB PRO 16 1.445 5.457 -4.865
112 1HG PRO 16 1HG PRO 16 2.806 3.224 -3.336
113 2HG PRO 16 2HG PRO 16 3.499 4.262 -4.621
114 1HD PRO 16 1HD PRO 16 3.889 4.802 -1.979
115 2HD PRO 16 2HD PRO 16 3.669 6.110 -3.169
116 H PHE 17 H PHE 17 -0.990 3.360 -3.421
117 HA PHE 17 HA PHE 17 -1.726 2.446 -0.823
118 1HB PHE 17 1HB PHE 17 -2.934 0.698 -2.127
119 2HB PHE 17 2HB PHE 17 -3.231 2.322 -2.697
120 HD1 PHE 17 HD1 PHE 17 -2.804 2.941 -4.973
121 HD2 PHE 17 HD2 PHE 17 -1.283 -0.812 -3.459
122 HE1 PHE 17 HE1 PHE 17 -2.112 2.283 -7.259
123 HE2 PHE 17 HE2 PHE 17 -0.575 -1.438 -5.745
124 HZ PHE 17 HZ PHE 17 -0.990 0.101 -7.645
125 H PHE 18 H PHE 18 1.273 2.176 -1.458
126 HA PHE 18 HA PHE 18 2.025 -0.415 -2.119
127 1HB PHE 18 1HB PHE 18 4.190 0.075 -1.467
128 2HB PHE 18 2HB PHE 18 3.520 1.623 -1.899
129 HD1 PHE 18 HD1 PHE 18 3.460 3.465 -0.306
130 HD2 PHE 18 HD2 PHE 18 4.655 -0.506 0.884
131 HE1 PHE 18 HE1 PHE 18 4.525 4.371 1.755
132 HE2 PHE 18 HE2 PHE 18 5.617 0.405 2.973
133 HZ PHE 18 HZ PHE 18 5.557 2.851 3.404
134 HA PRO 19 HA PRO 19 2.231 -1.754 2.439
135 1HB PRO 19 1HB PRO 19 0.375 -0.889 4.280
136 2HB PRO 19 2HB PRO 19 1.973 -0.128 4.013
137 1HG PRO 19 1HG PRO 19 -0.695 0.684 2.812
138 2HG PRO 19 2HG PRO 19 0.511 1.728 3.638
139 1HD PRO 19 1HD PRO 19 0.453 1.596 0.983
140 2HD PRO 19 2HD PRO 19 2.018 1.570 1.833
141 H VAL 20 H VAL 20 -0.773 -1.331 0.658
142 HA VAL 20 HA VAL 20 -2.386 -3.397 1.775
143 HB VAL 20 HB VAL 20 -1.978 -2.224 -1.008
144 1HG1 VAL 20 1HG1 VAL 20 -2.648 -4.452 -1.522
145 2HG1 VAL 20 2HG1 VAL 20 -3.978 -4.374 -0.354
146 3HG1 VAL 20 3HG1 VAL 20 -3.973 -3.347 -1.824
147 1HG2 VAL 20 1HG2 VAL 20 -3.088 -0.783 0.681
148 2HG2 VAL 20 2HG2 VAL 20 -4.187 -1.215 -0.633
149 3HG2 VAL 20 3HG2 VAL 20 -4.321 -2.039 0.935
150 H HIS 21 H HIS 21 0.020 -3.500 -0.845
151 HA HIS 21 HA HIS 21 -0.284 -6.253 -1.446
152 1HB HIS 21 1HB HIS 21 1.695 -4.053 -1.899
153 2HB HIS 21 2HB HIS 21 2.142 -5.693 -2.393
154 HD1 HIS 21 HD1 HIS 21 -1.495 -4.482 -3.009
155 HD2 HIS 21 HD2 HIS 21 2.259 -4.764 -4.920
156 HE1 HIS 21 HE1 HIS 21 -1.899 -4.041 -5.477
157 H LEU 22 H LEU 22 1.840 -4.598 0.845
158 HA LEU 22 HA LEU 22 3.325 -7.003 1.560
159 1HB LEU 22 1HB LEU 22 3.131 -4.237 2.817
160 2HB LEU 22 2HB LEU 22 4.140 -5.534 3.415
161 HG LEU 22 HG LEU 22 5.664 -4.294 2.233
162 1HD1 LEU 22 1HD1 LEU 22 5.722 -6.682 1.450
163 2HD1 LEU 22 2HD1 LEU 22 4.766 -6.199 0.025
164 3HD1 LEU 22 3HD1 LEU 22 6.379 -5.525 0.281
165 1HD2 LEU 22 1HD2 LEU 22 4.041 -2.750 1.181
166 2HD2 LEU 22 2HD2 LEU 22 5.363 -3.212 0.101
167 3HD2 LEU 22 3HD2 LEU 22 3.763 -3.934 -0.115
168 H LYS 23 H LYS 23 0.643 -5.114 3.110
169 HA LYS 23 HA LYS 23 0.449 -6.811 5.390
170 1HB LYS 23 1HB LYS 23 -0.707 -4.625 5.191
171 2HB LYS 23 2HB LYS 23 -1.662 -5.236 3.850
172 1HG LYS 23 1HG LYS 23 -3.063 -5.148 5.722
173 2HG LYS 23 2HG LYS 23 -2.801 -6.847 5.393
174 1HD LYS 23 1HD LYS 23 -1.193 -5.348 7.512
175 2HD LYS 23 2HD LYS 23 -2.820 -5.961 7.829
176 1HE LYS 23 1HE LYS 23 -2.048 -8.257 7.132
177 2HE LYS 23 2HE LYS 23 -0.398 -7.639 7.062
178 1HZ LYS 23 1HZ LYS 23 -0.835 -8.667 9.181
179 2HZ LYS 23 2HZ LYS 23 -0.613 -7.059 9.429
180 3HZ LYS 23 3HZ LYS 23 -2.128 -7.701 9.466
181 H ARG 24 H ARG 24 -0.734 -7.081 2.077
182 HA ARG 24 HA ARG 24 -2.229 -9.514 2.457
183 1HB ARG 24 1HB ARG 24 -2.733 -8.061 0.628
184 2HB ARG 24 2HB ARG 24 -1.104 -8.102 0.016
185 1HG ARG 24 1HG ARG 24 -3.038 -10.464 0.021
186 2HG ARG 24 2HG ARG 24 -2.782 -9.358 -1.316
187 1HD ARG 24 1HD ARG 24 -0.982 -11.556 -0.344
188 2HD ARG 24 2HD ARG 24 -1.557 -11.193 -1.965
189 HE ARG 24 HE ARG 24 0.160 -9.109 -0.888
190 1HH1 ARG 24 1HH1 ARG 24 0.290 -12.253 -2.524
191 2HH1 ARG 24 2HH1 ARG 24 1.915 -12.069 -3.060
192 1HH2 ARG 24 1HH2 ARG 24 2.251 -8.852 -1.501
193 2HH2 ARG 24 2HH2 ARG 24 3.075 -10.005 -2.508
194 H LEU 25 H LEU 25 1.194 -8.844 1.612
195 HA LEU 25 HA LEU 25 1.877 -11.539 1.009
196 1HB LEU 25 1HB LEU 25 3.310 -9.483 0.599
197 2HB LEU 25 2HB LEU 25 3.637 -9.414 2.316
198 HG LEU 25 HG LEU 25 4.722 -11.622 2.272
199 1HD1 LEU 25 1HD1 LEU 25 5.324 -12.654 0.085
200 2HD1 LEU 25 2HD1 LEU 25 3.599 -12.737 0.400
201 3HD1 LEU 25 3HD1 LEU 25 4.237 -11.523 -0.746
202 1HD2 LEU 25 1HD2 LEU 25 5.799 -9.661 0.194
203 2HD2 LEU 25 2HD2 LEU 25 6.044 -9.570 1.954
204 3HD2 LEU 25 3HD2 LEU 25 6.733 -10.913 1.041
205 H LEU 26 H LEU 26 1.960 -9.676 3.994
206 HA LEU 26 HA LEU 26 2.851 -11.717 5.766
207 1HB LEU 26 1HB LEU 26 2.777 -9.380 6.359
208 2HB LEU 26 2HB LEU 26 1.023 -9.326 6.273
209 HG LEU 26 HG LEU 26 2.467 -11.168 8.210
210 1HD1 LEU 26 1HD1 LEU 26 1.656 -8.250 8.641
211 2HD1 LEU 26 2HD1 LEU 26 2.243 -9.366 9.911
212 3HD1 LEU 26 3HD1 LEU 26 3.302 -8.901 8.590
213 1HD2 LEU 26 1HD2 LEU 26 0.217 -11.786 8.316
214 2HD2 LEU 26 2HD2 LEU 26 0.297 -10.605 9.589
215 3HD2 LEU 26 3HD2 LEU 26 -0.384 -10.163 7.984
216 H ILE 27 H ILE 27 -0.518 -10.792 4.969
217 HA ILE 27 HA ILE 27 -1.772 -12.827 6.510
218 HB ILE 27 HB ILE 27 -2.676 -11.317 4.034
219 1HG1 ILE 27 1HG1 ILE 27 -3.673 -11.132 6.918
220 2HG1 ILE 27 2HG1 ILE 27 -2.310 -10.188 6.348
221 1HG2 ILE 27 1HG2 ILE 27 -4.998 -12.121 4.517
222 2HG2 ILE 27 2HG2 ILE 27 -3.937 -13.436 4.039
223 3HG2 ILE 27 3HG2 ILE 27 -4.343 -13.221 5.749
224 1HD1 ILE 27 1HD1 ILE 27 -3.753 -9.153 4.587
225 2HD1 ILE 27 2HD1 ILE 27 -5.151 -10.006 5.281
226 3HD1 ILE 27 3HD1 ILE 27 -4.279 -8.810 6.248
227 H LEU 28 H LEU 28 -0.667 -12.926 3.077
228 HA LEU 28 HA LEU 28 -1.388 -15.651 2.600
229 1HB LEU 28 1HB LEU 28 -0.749 -13.859 0.955
230 2HB LEU 28 2HB LEU 28 0.934 -14.154 1.386
231 HG LEU 28 HG LEU 28 0.187 -15.269 -0.634
232 1HD1 LEU 28 1HD1 LEU 28 1.289 -17.294 -0.376
233 2HD1 LEU 28 2HD1 LEU 28 1.964 -16.274 0.927
234 3HD1 LEU 28 3HD1 LEU 28 0.747 -17.518 1.280
235 1HD2 LEU 28 1HD2 LEU 28 -1.550 -17.128 1.057
236 2HD2 LEU 28 2HD2 LEU 28 -2.200 -15.800 0.095
237 3HD2 LEU 28 3HD2 LEU 28 -1.356 -17.159 -0.688
238 H LEU 29 H LEU 29 1.728 -14.338 3.790
239 HA LEU 29 HA LEU 29 2.986 -16.838 4.121
240 1HB LEU 29 1HB LEU 29 4.125 -14.696 4.295
241 2HB LEU 29 2HB LEU 29 3.289 -14.294 5.789
242 HG LEU 29 HG LEU 29 4.908 -16.849 5.719
243 1HD1 LEU 29 1HD1 LEU 29 6.133 -14.069 5.978
244 2HD1 LEU 29 2HD1 LEU 29 6.966 -15.613 6.270
245 3HD1 LEU 29 3HD1 LEU 29 6.397 -15.220 4.645
246 1HD2 LEU 29 1HD2 LEU 29 4.530 -14.676 7.853
247 2HD2 LEU 29 2HD2 LEU 29 3.686 -16.236 7.816
248 3HD2 LEU 29 3HD2 LEU 29 5.425 -16.199 8.056
249 H LEU 30 H LEU 30 0.646 -15.277 6.299
250 HA LEU 30 HA LEU 30 0.845 -17.343 8.330
251 1HB LEU 30 1HB LEU 30 0.023 -15.045 8.766
252 2HB LEU 30 2HB LEU 30 -1.359 -15.352 7.731
253 HG LEU 30 HG LEU 30 -2.181 -17.115 9.257
254 1HD1 LEU 30 1HD1 LEU 30 -0.104 -17.925 10.269
255 2HD1 LEU 30 2HD1 LEU 30 0.210 -16.333 10.998
256 3HD1 LEU 30 3HD1 LEU 30 -1.167 -17.325 11.535
257 1HD2 LEU 30 1HD2 LEU 30 -2.860 -15.624 11.079
258 2HD2 LEU 30 2HD2 LEU 30 -1.574 -14.474 10.648
259 3HD2 LEU 30 3HD2 LEU 30 -2.922 -14.785 9.522
260 H LEU 31 H LEU 31 -1.372 -16.706 5.606
261 HA LEU 31 HA LEU 31 -2.359 -19.468 5.708
262 1HB LEU 31 1HB LEU 31 -3.946 -17.989 6.919
263 2HB LEU 31 2HB LEU 31 -4.046 -16.951 5.494
264 HG LEU 31 HG LEU 31 -5.018 -18.863 4.197
265 1HD1 LEU 31 1HD1 LEU 31 -4.134 -20.794 5.433
266 2HD1 LEU 31 2HD1 LEU 31 -5.006 -20.290 6.896
267 3HD1 LEU 31 3HD1 LEU 31 -5.896 -20.831 5.457
268 1HD2 LEU 31 1HD2 LEU 31 -6.496 -18.170 6.769
269 2HD2 LEU 31 2HD2 LEU 31 -6.465 -17.194 5.282
270 3HD2 LEU 31 3HD2 LEU 31 -7.228 -18.790 5.272
271 1HN NH2 32 1HN NH2 32 -0.770 -19.726 4.050
272 2HN NH2 32 2HN NH2 32 -1.196 -19.283 2.411
Start of MODEL 20
1 1H SER 1 1H SER 1 -20.316 3.533 2.651
2 2H SER 1 2H SER 1 -18.966 2.970 3.395
3 3H SER 1 3H SER 1 -19.946 4.021 4.208
4 HA SER 1 HA SER 1 -19.353 5.780 2.720
5 1HB SER 1 1HB SER 1 -16.831 5.757 3.205
6 2HB SER 1 2HB SER 1 -17.866 5.456 4.608
7 HG SER 1 HG SER 1 -16.145 3.762 3.241
8 HA PRO 2 HA PRO 2 -17.278 4.272 -1.193
9 1HB PRO 2 1HB PRO 2 -15.275 6.130 -1.531
10 2HB PRO 2 2HB PRO 2 -16.979 6.473 -1.959
11 1HG PRO 2 1HG PRO 2 -15.505 7.175 0.605
12 2HG PRO 2 2HG PRO 2 -16.477 8.263 -0.439
13 1HD PRO 2 1HD PRO 2 -17.545 7.118 1.771
14 2HD PRO 2 2HD PRO 2 -18.508 7.289 0.280
15 HA PRO 3 HA PRO 3 -13.746 2.304 0.866
16 1HB PRO 3 1HB PRO 3 -12.020 1.695 -1.150
17 2HB PRO 3 2HB PRO 3 -13.646 0.952 -1.075
18 1HG PRO 3 1HG PRO 3 -12.796 3.388 -2.684
19 2HG PRO 3 2HG PRO 3 -13.656 1.927 -3.270
20 1HD PRO 3 1HD PRO 3 -14.979 4.200 -2.563
21 2HD PRO 3 2HD PRO 3 -15.672 2.587 -2.233
22 H ASP 4 H ASP 4 -10.901 2.695 0.367
23 HA ASP 4 HA ASP 4 -10.611 5.438 1.235
24 1HB ASP 4 1HB ASP 4 -8.436 4.856 1.823
25 2HB ASP 4 2HB ASP 4 -9.346 3.419 2.279
26 H TYR 5 H TYR 5 -8.868 6.467 0.092
27 HA TYR 5 HA TYR 5 -8.899 6.170 -2.862
28 1HB TYR 5 1HB TYR 5 -9.113 8.733 -2.777
29 2HB TYR 5 2HB TYR 5 -10.534 7.752 -2.504
30 HD1 TYR 5 HD1 TYR 5 -11.676 7.712 -0.350
31 HD2 TYR 5 HD2 TYR 5 -8.048 9.989 -0.898
32 HE1 TYR 5 HE1 TYR 5 -12.109 8.908 1.775
33 HE2 TYR 5 HE2 TYR 5 -8.477 11.190 1.220
34 HH TYR 5 HH TYR 5 -9.955 11.477 3.014
35 H SER 6 H SER 6 -6.810 5.322 -0.976
36 HA SER 6 HA SER 6 -4.738 7.289 -0.859
37 1HB SER 6 1HB SER 6 -4.434 4.295 -0.584
38 2HB SER 6 2HB SER 6 -3.414 5.567 0.114
39 HG SER 6 HG SER 6 -6.001 4.693 0.757
40 H ALA 7 H ALA 7 -5.624 6.991 -3.607
41 HA ALA 7 HA ALA 7 -3.508 5.634 -5.139
42 1HB ALA 7 1HB ALA 7 -5.748 7.515 -6.015
43 2HB ALA 7 2HB ALA 7 -4.721 6.532 -7.080
44 3HB ALA 7 3HB ALA 7 -5.852 5.737 -5.971
45 H ALA 8 H ALA 8 -2.650 7.548 -3.199
46 HA ALA 8 HA ALA 8 -2.280 10.205 -3.897
47 1HB ALA 8 1HB ALA 8 -0.428 8.397 -2.285
48 2HB ALA 8 2HB ALA 8 -0.621 10.129 -2.058
49 3HB ALA 8 3HB ALA 8 -1.960 9.051 -1.659
50 HA PRO 9 HA PRO 9 1.127 10.458 -6.770
51 1HB PRO 9 1HB PRO 9 2.980 12.150 -5.504
52 2HB PRO 9 2HB PRO 9 1.548 12.673 -6.441
53 1HG PRO 9 1HG PRO 9 1.796 12.316 -3.443
54 2HG PRO 9 2HG PRO 9 1.056 13.677 -4.347
55 1HD PRO 9 1HD PRO 9 -0.507 11.776 -3.313
56 2HD PRO 9 2HD PRO 9 -0.826 12.348 -4.965
57 H ARG 10 H ARG 10 3.451 9.838 -7.065
58 HA ARG 10 HA ARG 10 4.666 8.249 -4.971
59 1HB ARG 10 1HB ARG 10 4.457 6.112 -6.175
60 2HB ARG 10 2HB ARG 10 2.891 6.746 -5.713
61 1HG ARG 10 1HG ARG 10 3.200 7.740 -8.336
62 2HG ARG 10 2HG ARG 10 4.006 6.180 -8.389
63 1HD ARG 10 1HD ARG 10 1.817 5.639 -8.973
64 2HD ARG 10 2HD ARG 10 1.847 5.243 -7.264
65 HE ARG 10 HE ARG 10 0.534 7.184 -6.760
66 1HH1 ARG 10 1HH1 ARG 10 1.086 6.962 -10.262
67 2HH1 ARG 10 2HH1 ARG 10 -0.305 7.901 -10.671
68 1HH2 ARG 10 1HH2 ARG 10 -1.362 8.310 -7.297
69 2HH2 ARG 10 2HH2 ARG 10 -1.726 8.717 -8.917
70 H GLY 11 H GLY 11 6.804 7.598 -5.642
71 1HA GLY 11 1HA GLY 11 8.808 7.872 -6.688
72 2HA GLY 11 2HA GLY 11 7.950 8.149 -8.211
73 H ARG 12 H ARG 12 6.815 10.402 -6.045
74 HA ARG 12 HA ARG 12 8.895 12.351 -5.931
75 1HB ARG 12 1HB ARG 12 6.446 12.847 -7.715
76 2HB ARG 12 2HB ARG 12 7.410 14.129 -6.970
77 1HG ARG 12 1HG ARG 12 9.455 13.136 -8.134
78 2HG ARG 12 2HG ARG 12 8.329 12.120 -9.059
79 1HD ARG 12 1HD ARG 12 7.213 14.137 -9.938
80 2HD ARG 12 2HD ARG 12 8.299 15.163 -8.974
81 HE ARG 12 HE ARG 12 9.794 13.360 -10.602
82 1HH1 ARG 12 1HH1 ARG 12 7.927 16.358 -10.860
83 2HH1 ARG 12 2HH1 ARG 12 8.782 16.977 -12.221
84 1HH2 ARG 12 1HH2 ARG 12 10.970 14.163 -12.436
85 2HH2 ARG 12 2HH2 ARG 12 10.567 15.673 -13.145
86 H PHE 13 H PHE 13 8.588 12.432 -3.861
87 HA PHE 13 HA PHE 13 7.610 12.164 -1.769
88 1HB PHE 13 1HB PHE 13 6.784 14.851 -2.870
89 2HB PHE 13 2HB PHE 13 6.907 14.445 -1.157
90 HD1 PHE 13 HD1 PHE 13 8.667 15.800 -3.952
91 HD2 PHE 13 HD2 PHE 13 9.248 13.494 -0.345
92 HE1 PHE 13 HE1 PHE 13 11.091 16.337 -3.985
93 HE2 PHE 13 HE2 PHE 13 11.665 14.033 -0.398
94 HZ PHE 13 HZ PHE 13 12.590 15.451 -2.214
95 H GLY 14 H GLY 14 6.058 10.367 -2.175
96 1HA GLY 14 1HA GLY 14 3.606 11.067 -0.993
97 2HA GLY 14 2HA GLY 14 3.349 10.721 -2.711
98 H ILE 15 H ILE 15 2.286 9.140 -0.664
99 HA ILE 15 HA ILE 15 3.645 6.499 -0.810
100 HB ILE 15 HB ILE 15 2.832 8.148 1.588
101 1HG1 ILE 15 1HG1 ILE 15 5.177 6.263 1.072
102 2HG1 ILE 15 2HG1 ILE 15 5.204 7.998 0.781
103 1HG2 ILE 15 1HG2 ILE 15 1.464 6.274 2.019
104 2HG2 ILE 15 2HG2 ILE 15 2.656 5.130 1.422
105 3HG2 ILE 15 3HG2 ILE 15 2.909 5.985 2.962
106 1HD1 ILE 15 1HD1 ILE 15 4.728 8.400 3.209
107 2HD1 ILE 15 2HD1 ILE 15 4.952 6.654 3.488
108 3HD1 ILE 15 3HD1 ILE 15 6.287 7.629 2.860
109 HA PRO 16 HA PRO 16 -0.739 6.185 -1.988
110 1HB PRO 16 1HB PRO 16 -0.534 4.251 -3.892
111 2HB PRO 16 2HB PRO 16 0.008 5.921 -4.217
112 1HG PRO 16 1HG PRO 16 1.708 3.562 -3.332
113 2HG PRO 16 2HG PRO 16 1.996 4.664 -4.715
114 1HD PRO 16 1HD PRO 16 3.163 5.018 -2.256
115 2HD PRO 16 2HD PRO 16 2.711 6.406 -3.292
116 H PHE 17 H PHE 17 -1.887 3.795 -2.232
117 HA PHE 17 HA PHE 17 -1.918 2.422 0.194
118 1HB PHE 17 1HB PHE 17 -3.280 0.758 -1.134
119 2HB PHE 17 2HB PHE 17 -3.784 2.409 -1.306
120 HD1 PHE 17 HD1 PHE 17 -4.055 3.374 -3.443
121 HD2 PHE 17 HD2 PHE 17 -1.749 -0.258 -3.057
122 HE1 PHE 17 HE1 PHE 17 -3.863 3.222 -5.906
123 HE2 PHE 17 HE2 PHE 17 -1.544 -0.388 -5.503
124 HZ PHE 17 HZ PHE 17 -2.594 1.349 -6.947
125 H PHE 18 H PHE 18 0.908 2.369 -1.032
126 HA PHE 18 HA PHE 18 1.551 -0.082 -2.182
127 1HB PHE 18 1HB PHE 18 3.802 0.394 -1.873
128 2HB PHE 18 2HB PHE 18 3.048 1.965 -1.937
129 HD1 PHE 18 HD1 PHE 18 3.273 3.537 -0.090
130 HD2 PHE 18 HD2 PHE 18 4.629 -0.540 0.275
131 HE1 PHE 18 HE1 PHE 18 4.561 4.115 1.981
132 HE2 PHE 18 HE2 PHE 18 5.853 0.043 2.344
133 HZ PHE 18 HZ PHE 18 5.815 2.377 3.195
134 HA PRO 19 HA PRO 19 2.478 -2.005 2.111
135 1HB PRO 19 1HB PRO 19 0.844 -1.449 4.262
136 2HB PRO 19 2HB PRO 19 2.399 -0.633 3.915
137 1HG PRO 19 1HG PRO 19 -0.391 0.290 3.154
138 2HG PRO 19 2HG PRO 19 0.903 1.230 3.973
139 1HD PRO 19 1HD PRO 19 0.555 1.487 1.369
140 2HD PRO 19 2HD PRO 19 2.207 1.315 2.004
141 H VAL 20 H VAL 20 -0.657 -1.540 0.648
142 HA VAL 20 HA VAL 20 -2.177 -3.669 1.684
143 HB VAL 20 HB VAL 20 -1.836 -2.344 -1.045
144 1HG1 VAL 20 1HG1 VAL 20 -2.450 -4.496 -1.778
145 2HG1 VAL 20 2HG1 VAL 20 -3.674 -4.678 -0.500
146 3HG1 VAL 20 3HG1 VAL 20 -3.879 -3.502 -1.846
147 1HG2 VAL 20 1HG2 VAL 20 -4.089 -1.470 -0.562
148 2HG2 VAL 20 2HG2 VAL 20 -4.183 -2.445 0.916
149 3HG2 VAL 20 3HG2 VAL 20 -3.015 -1.112 0.793
150 H HIS 21 H HIS 21 -0.007 -3.774 -1.097
151 HA HIS 21 HA HIS 21 -0.278 -6.485 -1.698
152 1HB HIS 21 1HB HIS 21 1.898 -4.444 -2.008
153 2HB HIS 21 2HB HIS 21 1.936 -5.967 -2.910
154 HD1 HIS 21 HD1 HIS 21 -0.659 -6.001 -4.545
155 HD2 HIS 21 HD2 HIS 21 1.068 -2.427 -3.110
156 HE1 HIS 21 HE1 HIS 21 -1.734 -4.100 -5.846
157 H LEU 22 H LEU 22 2.073 -4.857 0.341
158 HA LEU 22 HA LEU 22 3.619 -7.172 1.070
159 1HB LEU 22 1HB LEU 22 3.331 -4.426 2.372
160 2HB LEU 22 2HB LEU 22 4.472 -5.650 2.866
161 HG LEU 22 HG LEU 22 5.835 -4.342 1.607
162 1HD1 LEU 22 1HD1 LEU 22 5.910 -6.662 0.667
163 2HD1 LEU 22 2HD1 LEU 22 4.792 -6.147 -0.621
164 3HD1 LEU 22 3HD1 LEU 22 6.394 -5.410 -0.491
165 1HD2 LEU 22 1HD2 LEU 22 4.111 -2.781 0.807
166 2HD2 LEU 22 2HD2 LEU 22 5.302 -3.164 -0.438
167 3HD2 LEU 22 3HD2 LEU 22 3.695 -3.898 -0.510
168 H LYS 23 H LYS 23 0.964 -5.396 2.834
169 HA LYS 23 HA LYS 23 1.027 -7.226 5.048
170 1HB LYS 23 1HB LYS 23 -0.070 -4.990 5.102
171 2HB LYS 23 2HB LYS 23 -1.306 -5.571 3.973
172 1HG LYS 23 1HG LYS 23 -2.069 -7.234 5.611
173 2HG LYS 23 2HG LYS 23 -0.751 -6.803 6.715
174 1HD LYS 23 1HD LYS 23 -1.713 -4.551 7.019
175 2HD LYS 23 2HD LYS 23 -2.945 -4.895 5.803
176 1HE LYS 23 1HE LYS 23 -3.957 -5.112 7.979
177 2HE LYS 23 2HE LYS 23 -3.886 -6.698 7.210
178 1HZ LYS 23 1HZ LYS 23 -3.244 -6.800 9.521
179 2HZ LYS 23 2HZ LYS 23 -1.958 -7.205 8.587
180 3HZ LYS 23 3HZ LYS 23 -2.031 -5.720 9.301
181 H ARG 24 H ARG 24 -0.464 -7.335 1.841
182 HA ARG 24 HA ARG 24 -2.004 -9.713 2.355
183 1HB ARG 24 1HB ARG 24 -2.629 -8.236 0.577
184 2HB ARG 24 2HB ARG 24 -1.072 -8.371 -0.201
185 1HG ARG 24 1HG ARG 24 -2.379 -11.018 0.073
186 2HG ARG 24 2HG ARG 24 -3.403 -9.847 -0.734
187 1HD ARG 24 1HD ARG 24 -2.087 -11.048 -2.387
188 2HD ARG 24 2HD ARG 24 -1.684 -9.340 -2.380
189 HE ARG 24 HE ARG 24 0.423 -9.762 -1.469
190 1HH1 ARG 24 1HH1 ARG 24 -1.345 -12.829 -1.667
191 2HH1 ARG 24 2HH1 ARG 24 0.049 -13.819 -1.862
192 1HH2 ARG 24 1HH2 ARG 24 2.311 -11.057 -1.782
193 2HH2 ARG 24 2HH2 ARG 24 2.198 -12.773 -1.889
194 H LEU 25 H LEU 25 1.375 -9.154 1.406
195 HA LEU 25 HA LEU 25 1.965 -11.907 0.788
196 1HB LEU 25 1HB LEU 25 3.343 -9.794 0.273
197 2HB LEU 25 2HB LEU 25 3.920 -9.861 1.929
198 HG LEU 25 HG LEU 25 4.197 -12.210 0.013
199 1HD1 LEU 25 1HD1 LEU 25 6.483 -11.406 -0.448
200 2HD1 LEU 25 2HD1 LEU 25 5.281 -10.227 -0.983
201 3HD1 LEU 25 3HD1 LEU 25 6.181 -9.953 0.524
202 1HD2 LEU 25 1HD2 LEU 25 6.160 -12.770 1.496
203 2HD2 LEU 25 2HD2 LEU 25 5.668 -11.464 2.592
204 3HD2 LEU 25 3HD2 LEU 25 4.623 -12.879 2.333
205 H LEU 26 H LEU 26 2.250 -9.923 3.744
206 HA LEU 26 HA LEU 26 3.102 -12.006 5.471
207 1HB LEU 26 1HB LEU 26 3.233 -9.658 6.030
208 2HB LEU 26 2HB LEU 26 1.483 -9.494 6.090
209 HG LEU 26 HG LEU 26 2.781 -11.558 7.883
210 1HD1 LEU 26 1HD1 LEU 26 3.217 -9.845 9.606
211 2HD1 LEU 26 2HD1 LEU 26 4.209 -9.582 8.172
212 3HD1 LEU 26 3HD1 LEU 26 2.783 -8.558 8.454
213 1HD2 LEU 26 1HD2 LEU 26 0.310 -11.360 7.960
214 2HD2 LEU 26 2HD2 LEU 26 1.010 -10.803 9.468
215 3HD2 LEU 26 3HD2 LEU 26 0.444 -9.614 8.272
216 H ILE 27 H ILE 27 -0.257 -10.929 4.759
217 HA ILE 27 HA ILE 27 -1.528 -12.825 6.453
218 HB ILE 27 HB ILE 27 -2.445 -11.328 3.977
219 1HG1 ILE 27 1HG1 ILE 27 -3.318 -11.079 6.897
220 2HG1 ILE 27 2HG1 ILE 27 -1.966 -10.171 6.246
221 1HG2 ILE 27 1HG2 ILE 27 -3.803 -13.387 4.036
222 2HG2 ILE 27 2HG2 ILE 27 -4.163 -13.127 5.750
223 3HG2 ILE 27 3HG2 ILE 27 -4.787 -12.016 4.511
224 1HD1 ILE 27 1HD1 ILE 27 -4.855 -9.941 5.320
225 2HD1 ILE 27 2HD1 ILE 27 -3.916 -8.759 6.235
226 3HD1 ILE 27 3HD1 ILE 27 -3.473 -9.122 4.554
227 H LEU 28 H LEU 28 -0.502 -13.141 2.995
228 HA LEU 28 HA LEU 28 -1.462 -15.840 2.713
229 1HB LEU 28 1HB LEU 28 -0.824 -14.189 0.923
230 2HB LEU 28 2HB LEU 28 0.863 -14.562 1.273
231 HG LEU 28 HG LEU 28 -0.083 -15.743 -0.619
232 1HD1 LEU 28 1HD1 LEU 28 0.906 -17.823 -0.311
233 2HD1 LEU 28 2HD1 LEU 28 1.735 -16.770 0.874
234 3HD1 LEU 28 3HD1 LEU 28 0.476 -17.908 1.389
235 1HD2 LEU 28 1HD2 LEU 28 -1.802 -17.404 1.280
236 2HD2 LEU 28 2HD2 LEU 28 -2.445 -16.081 0.309
237 3HD2 LEU 28 3HD2 LEU 28 -1.744 -17.524 -0.470
238 H LEU 29 H LEU 29 1.765 -14.618 3.641
239 HA LEU 29 HA LEU 29 2.930 -17.150 4.067
240 1HB LEU 29 1HB LEU 29 4.190 -15.017 4.100
241 2HB LEU 29 2HB LEU 29 3.388 -14.556 5.603
242 HG LEU 29 HG LEU 29 4.480 -16.442 6.794
243 1HD1 LEU 29 1HD1 LEU 29 4.817 -18.047 4.962
244 2HD1 LEU 29 2HD1 LEU 29 5.908 -16.913 4.127
245 3HD1 LEU 29 3HD1 LEU 29 6.369 -17.640 5.684
246 1HD2 LEU 29 1HD2 LEU 29 6.739 -15.486 6.791
247 2HD2 LEU 29 2HD2 LEU 29 6.403 -14.640 5.264
248 3HD2 LEU 29 3HD2 LEU 29 5.514 -14.211 6.747
249 H LEU 30 H LEU 30 0.822 -15.313 6.274
250 HA LEU 30 HA LEU 30 0.979 -17.227 8.431
251 1HB LEU 30 1HB LEU 30 0.302 -14.862 8.701
252 2HB LEU 30 2HB LEU 30 -1.125 -15.164 7.728
253 HG LEU 30 HG LEU 30 -2.002 -16.746 9.427
254 1HD1 LEU 30 1HD1 LEU 30 -0.943 -16.792 11.691
255 2HD1 LEU 30 2HD1 LEU 30 0.070 -17.551 10.466
256 3HD1 LEU 30 3HD1 LEU 30 0.461 -15.913 11.039
257 1HD2 LEU 30 1HD2 LEU 30 -2.559 -15.045 11.106
258 2HD2 LEU 30 2HD2 LEU 30 -1.230 -14.013 10.529
259 3HD2 LEU 30 3HD2 LEU 30 -2.621 -14.366 9.472
260 H LEU 31 H LEU 31 -1.326 -16.695 5.756
261 HA LEU 31 HA LEU 31 -2.460 -19.376 6.129
262 1HB LEU 31 1HB LEU 31 -3.890 -17.700 7.281
263 2HB LEU 31 2HB LEU 31 -4.002 -16.782 5.777
264 HG LEU 31 HG LEU 31 -5.162 -18.721 4.700
265 1HD1 LEU 31 1HD1 LEU 31 -5.074 -19.931 7.502
266 2HD1 LEU 31 2HD1 LEU 31 -6.080 -20.525 6.163
267 3HD1 LEU 31 3HD1 LEU 31 -4.323 -20.603 6.039
268 1HD2 LEU 31 1HD2 LEU 31 -6.441 -17.739 7.285
269 2HD2 LEU 31 2HD2 LEU 31 -6.438 -16.882 5.726
270 3HD2 LEU 31 3HD2 LEU 31 -7.297 -18.421 5.883
271 1HN NH2 32 1HN NH2 32 -0.950 -19.841 4.438
272 2HN NH2 32 2HN NH2 32 -1.431 -19.518 2.786