Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651876 | 6z0h RC | 50264 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 1 3H ARG 1 17.993 22.678 22.652
2 HA ARG 1 HA ARG 1 19.883 21.450 23.449
3 HB2 ARG 1 1HB ARG 1 18.650 22.981 24.989
4 HB3 ARG 1 2HB ARG 1 17.711 21.600 25.559
5 HG2 ARG 1 1HG ARG 1 19.815 20.475 26.243
6 HG3 ARG 1 2HG ARG 1 20.724 21.898 25.733
7 HD2 ARG 1 1HD ARG 1 19.395 23.270 27.342
8 HD3 ARG 1 2HD ARG 1 18.614 21.795 27.905
9 HE ARG 1 HE ARG 1 21.213 21.182 28.215
10 HH11 ARG 1 1HH1 ARG 1 19.434 24.054 29.169
11 HH12 ARG 1 2HH1 ARG 1 20.470 24.368 30.521
12 HH21 ARG 1 1HH2 ARG 1 22.512 21.637 29.970
13 HH22 ARG 1 2HH2 ARG 1 22.191 23.016 30.967
14 H SER 2 H SER 2 16.802 19.747 23.849
15 HA SER 2 HA SER 2 17.700 17.475 25.199
16 HB2 SER 2 1HB SER 2 15.537 17.638 23.087
17 HB3 SER 2 2HB SER 2 15.735 16.346 24.266
18 HG SER 2 HG SER 2 14.217 17.969 24.913
19 H LEU 3 H LEU 3 18.454 15.477 24.545
20 HA LEU 3 HA LEU 3 20.314 15.392 22.460
21 HB2 LEU 3 1HB LEU 3 18.948 13.220 24.036
22 HB3 LEU 3 2HB LEU 3 20.159 12.864 22.804
23 HG LEU 3 HG LEU 3 21.577 14.675 24.083
24 HD11 LEU 3 1HD1 LEU 3 20.077 15.507 25.688
25 HD12 LEU 3 2HD1 LEU 3 21.022 14.337 26.610
26 HD13 LEU 3 3HD1 LEU 3 19.411 13.910 26.030
27 HD21 LEU 3 1HD2 LEU 3 21.992 12.174 23.878
28 HD22 LEU 3 2HD2 LEU 3 21.122 11.986 25.400
29 HD23 LEU 3 3HD2 LEU 3 22.619 12.918 25.350
30 H LEU 4 H LEU 4 16.873 14.845 22.343
31 HA LEU 4 HA LEU 4 16.689 13.099 20.154
32 HB2 LEU 4 1HB LEU 4 14.816 13.815 21.664
33 HB3 LEU 4 2HB LEU 4 14.793 15.359 20.815
34 HG LEU 4 HG LEU 4 14.564 13.923 18.660
35 HD11 LEU 4 1HD1 LEU 4 13.846 11.711 18.862
36 HD12 LEU 4 2HD1 LEU 4 13.315 11.929 20.530
37 HD13 LEU 4 3HD1 LEU 4 15.035 11.811 20.161
38 HD21 LEU 4 1HD2 LEU 4 12.787 15.355 19.715
39 HD22 LEU 4 2HD2 LEU 4 12.270 13.947 20.642
40 HD23 LEU 4 3HD2 LEU 4 12.147 13.938 18.883
41 H GLU 5 H GLU 5 17.464 16.510 20.264
42 HA GLU 5 HA GLU 5 16.775 17.112 17.560
43 HB2 GLU 5 1HB GLU 5 18.657 18.493 19.479
44 HB3 GLU 5 2HB GLU 5 18.152 19.150 17.921
45 HG2 GLU 5 1HG GLU 5 15.780 18.992 18.656
46 HG3 GLU 5 2HG GLU 5 16.327 18.429 20.230
47 H GLY 6 H GLY 6 19.618 15.667 19.008
48 HA2 GLY 6 1HA GLY 6 21.069 14.307 17.698
49 HA3 GLY 6 2HA GLY 6 20.683 15.290 16.297
50 H GLU 7 H GLU 7 21.226 17.560 18.601
51 HA GLU 7 HA GLU 7 23.613 18.468 17.471
52 HB2 GLU 7 1HB GLU 7 22.017 19.841 18.809
53 HB3 GLU 7 2HB GLU 7 22.628 19.058 20.267
54 HG2 GLU 7 1HG GLU 7 24.920 19.838 19.688
55 HG3 GLU 7 2HG GLU 7 24.257 20.689 18.300
56 H ILE 8 H ILE 8 23.133 16.150 20.067
57 HA ILE 8 HA ILE 8 25.624 16.258 21.308
58 HB ILE 8 HB ILE 8 23.710 14.946 22.126
59 HG12 ILE 8 1HG1 ILE 8 26.129 13.202 21.570
60 HG13 ILE 8 2HG1 ILE 8 26.024 14.401 22.859
61 HG21 ILE 8 1HG2 ILE 8 24.368 12.978 19.919
62 HG22 ILE 8 2HG2 ILE 8 23.023 14.117 19.850
63 HG23 ILE 8 3HG2 ILE 8 23.055 12.865 21.092
64 HD11 ILE 8 1HD1 ILE 8 25.512 12.157 23.728
65 HD12 ILE 8 2HD1 ILE 8 24.214 11.989 22.545
66 HD13 ILE 8 3HD1 ILE 8 24.092 13.200 23.821
67 HA PRO 9 HA PRO 9 28.416 14.908 18.066
68 HB2 PRO 9 1HB PRO 9 29.865 13.348 20.148
69 HB3 PRO 9 2HB PRO 9 30.478 14.580 19.028
70 HG2 PRO 9 1HG PRO 9 30.146 15.119 21.601
71 HG3 PRO 9 2HG PRO 9 29.785 16.328 20.353
72 HD2 PRO 9 1HD PRO 9 27.888 14.650 21.947
73 HD3 PRO 9 2HD PRO 9 27.720 16.338 21.414
74 H PHE 10 H PHE 10 28.613 13.138 16.702
75 HA PHE 10 HA PHE 10 26.790 11.045 16.903
76 HB2 PHE 10 1HB PHE 10 28.189 9.948 15.123
77 HB3 PHE 10 2HB PHE 10 27.670 11.585 14.767
78 HD1 PHE 10 HD1 PHE 10 30.557 9.609 16.083
79 HD2 PHE 10 HD2 PHE 10 29.245 13.231 14.183
80 HE1 PHE 10 HE1 PHE 10 32.918 10.258 15.691
81 HE2 PHE 10 HE2 PHE 10 31.606 13.880 13.790
82 HZ PHE 10 HZ PHE 10 33.443 12.394 14.544
83 HA PRO 11 HA PRO 11 28.660 8.302 19.836
84 HB2 PRO 11 1HB PRO 11 28.050 5.813 18.719
85 HB3 PRO 11 2HB PRO 11 26.989 6.759 19.777
86 HG2 PRO 11 1HG PRO 11 26.967 6.494 16.830
87 HG3 PRO 11 2HG PRO 11 25.618 6.682 17.964
88 HD2 PRO 11 1HD PRO 11 26.502 8.738 16.427
89 HD3 PRO 11 2HD PRO 11 25.819 8.988 18.049
90 HA PRO 12 HA PRO 12 32.682 7.406 18.048
91 HB2 PRO 12 1HB PRO 12 32.954 5.207 20.030
92 HB3 PRO 12 2HB PRO 12 34.005 6.607 19.741
93 HG2 PRO 12 1HG PRO 12 32.433 6.453 21.885
94 HG3 PRO 12 2HG PRO 12 32.758 7.993 21.068
95 HD2 PRO 12 1HD PRO 12 30.291 6.301 20.971
96 HD3 PRO 12 2HD PRO 12 30.449 8.072 20.938
97 H THR 13 H THR 13 30.424 4.767 18.778
98 HA THR 13 HA THR 13 31.546 2.776 17.141
99 HB THR 13 HB THR 13 28.605 3.261 17.658
100 HG1 THR 13 HG1 THR 13 28.921 2.401 19.571
101 HG21 THR 13 1HG2 THR 13 29.069 1.591 15.918
102 HG22 THR 13 2HG2 THR 13 28.472 0.804 17.379
103 HG23 THR 13 3HG2 THR 13 30.193 0.764 16.997
104 H SER 14 H SER 14 29.462 5.531 16.337
105 HA SER 14 HA SER 14 28.795 4.713 13.719
106 HB2 SER 14 1HB SER 14 27.630 6.552 14.843
107 HB3 SER 14 2HB SER 14 29.104 7.513 14.824
108 HG SER 14 HG SER 14 28.620 8.045 12.854
109 H ILE 15 H ILE 15 31.417 6.863 14.876
110 HA ILE 15 HA ILE 15 32.533 7.252 12.309
111 HB ILE 15 HB ILE 15 33.108 8.685 14.211
112 HG12 ILE 15 1HG1 ILE 15 35.611 7.349 13.181
113 HG13 ILE 15 2HG1 ILE 15 34.583 8.339 12.145
114 HG21 ILE 15 1HG2 ILE 15 33.364 7.299 16.074
115 HG22 ILE 15 2HG2 ILE 15 35.018 7.763 15.694
116 HG23 ILE 15 3HG2 ILE 15 34.424 6.173 15.228
117 HD11 ILE 15 1HD1 ILE 15 35.854 9.255 14.742
118 HD12 ILE 15 2HD1 ILE 15 34.839 10.240 13.689
119 HD13 ILE 15 3HD1 ILE 15 36.414 9.680 13.124
120 H LEU 16 H LEU 16 32.949 4.616 14.622
121 HA LEU 16 HA LEU 16 35.108 3.326 13.354
122 HB2 LEU 16 1HB LEU 16 34.184 2.658 15.555
123 HB3 LEU 16 2HB LEU 16 32.747 2.040 14.745
124 HG LEU 16 HG LEU 16 34.266 0.535 13.394
125 HD11 LEU 16 1HD1 LEU 16 36.507 0.159 14.770
126 HD12 LEU 16 2HD1 LEU 16 36.262 1.851 15.204
127 HD13 LEU 16 3HD1 LEU 16 36.418 1.387 13.510
128 HD21 LEU 16 1HD2 LEU 16 34.600 -1.059 15.275
129 HD22 LEU 16 2HD2 LEU 16 33.006 -0.306 15.322
130 HD23 LEU 16 3HD2 LEU 16 34.275 0.246 16.415
131 H LEU 17 H LEU 17 31.623 3.265 12.657
132 HA LEU 17 HA LEU 17 31.685 1.329 10.620
133 HB2 LEU 17 1HB LEU 17 29.613 2.311 11.609
134 HB3 LEU 17 2HB LEU 17 29.927 3.789 10.700
135 HG LEU 17 HG LEU 17 29.982 2.345 8.603
136 HD11 LEU 17 1HD1 LEU 17 29.132 0.344 10.679
137 HD12 LEU 17 2HD1 LEU 17 30.268 0.146 9.344
138 HD13 LEU 17 3HD1 LEU 17 28.534 0.195 9.026
139 HD21 LEU 17 1HD2 LEU 17 28.042 3.726 9.121
140 HD22 LEU 17 2HD2 LEU 17 27.439 2.512 10.250
141 HD23 LEU 17 3HD2 LEU 17 27.483 2.164 8.522
142 H LEU 18 H LEU 18 32.394 4.804 10.525
143 HA LEU 18 HA LEU 18 32.698 5.030 7.729
144 HB2 LEU 18 1HB LEU 18 34.228 6.524 9.871
145 HB3 LEU 18 2HB LEU 18 34.051 7.012 8.187
146 HG LEU 18 HG LEU 18 31.752 6.652 10.134
147 HD11 LEU 18 1HD1 LEU 18 32.658 9.270 8.962
148 HD12 LEU 18 2HD1 LEU 18 33.453 8.633 10.400
149 HD13 LEU 18 3HD1 LEU 18 31.723 8.973 10.427
150 HD21 LEU 18 1HD2 LEU 18 31.964 7.456 7.235
151 HD22 LEU 18 2HD2 LEU 18 30.624 8.032 8.226
152 HD23 LEU 18 3HD2 LEU 18 30.860 6.301 7.981
153 H LEU 19 H LEU 19 34.984 3.987 10.232
154 HA LEU 19 HA LEU 19 37.208 3.624 8.536
155 HB2 LEU 19 1HB LEU 19 36.449 2.008 10.982
156 HB3 LEU 19 2HB LEU 19 38.037 2.038 10.221
157 HG LEU 19 HG LEU 19 36.637 4.479 11.351
158 HD11 LEU 19 1HD1 LEU 19 38.576 2.509 12.522
159 HD12 LEU 19 2HD1 LEU 19 37.206 3.317 13.283
160 HD13 LEU 19 3HD1 LEU 19 38.698 4.205 12.993
161 HD21 LEU 19 1HD2 LEU 19 39.292 3.962 10.027
162 HD22 LEU 19 2HD2 LEU 19 39.132 5.273 11.196
163 HD23 LEU 19 3HD2 LEU 19 38.144 5.269 9.735
164 H ALA 20 H ALA 20 34.390 1.579 9.109
165 HA ALA 20 HA ALA 20 35.253 -0.691 7.683
166 HB1 ALA 20 1HB ALA 20 33.071 -0.269 9.064
167 HB2 ALA 20 2HB ALA 20 33.029 -1.380 7.695
168 HB3 ALA 20 3HB ALA 20 32.413 0.263 7.516
169 H CYS 21 H CYS 21 33.734 2.315 6.570
170 HA CYS 21 HA CYS 21 33.510 1.638 3.844
171 HB2 CYS 21 1HB CYS 21 34.128 4.363 5.010
172 HB3 CYS 21 2HB CYS 21 33.449 4.034 3.416
173 HG CYS 21 HG CYS 21 31.266 4.180 4.591
174 H ILE 22 H ILE 22 36.230 2.967 5.703
175 HA ILE 22 HA ILE 22 38.009 3.326 3.548
176 HB ILE 22 HB ILE 22 38.712 2.468 6.363
177 HG12 ILE 22 1HG1 ILE 22 37.312 4.469 6.435
178 HG13 ILE 22 2HG1 ILE 22 38.978 4.896 6.801
179 HG21 ILE 22 1HG2 ILE 22 40.661 2.273 5.055
180 HG22 ILE 22 2HG2 ILE 22 40.784 3.887 5.755
181 HG23 ILE 22 3HG2 ILE 22 40.258 3.689 4.084
182 HD11 ILE 22 1HD1 ILE 22 37.270 5.793 4.608
183 HD12 ILE 22 2HD1 ILE 22 38.823 5.202 4.025
184 HD13 ILE 22 3HD1 ILE 22 38.764 6.495 5.220
185 H PHE 23 H PHE 23 37.187 0.422 5.426
186 HA PHE 23 HA PHE 23 39.152 -1.278 4.372
187 HB2 PHE 23 1HB PHE 23 37.590 -1.846 6.233
188 HB3 PHE 23 2HB PHE 23 36.315 -2.050 5.048
189 HD1 PHE 23 HD1 PHE 23 36.296 -3.963 3.528
190 HD2 PHE 23 HD2 PHE 23 39.416 -3.449 6.436
191 HE1 PHE 23 HE1 PHE 23 37.001 -6.316 3.188
192 HE2 PHE 23 HE2 PHE 23 40.121 -5.802 6.095
193 HZ PHE 23 HZ PHE 23 38.914 -7.235 4.471
194 H LEU 24 H LEU 24 35.968 -0.382 3.036
195 HA LEU 24 HA LEU 24 36.076 -2.048 0.779
196 HB2 LEU 24 1HB LEU 24 34.742 0.594 1.294
197 HB3 LEU 24 2HB LEU 24 34.729 -0.090 -0.321
198 HG LEU 24 HG LEU 24 32.701 -0.658 0.994
199 HD11 LEU 24 1HD1 LEU 24 33.929 -2.196 -0.763
200 HD12 LEU 24 2HD1 LEU 24 32.537 -2.795 0.139
201 HD13 LEU 24 3HD1 LEU 24 34.169 -3.239 0.639
202 HD21 LEU 24 1HD2 LEU 24 33.832 -0.794 3.221
203 HD22 LEU 24 2HD2 LEU 24 34.575 -2.310 2.711
204 HD23 LEU 24 3HD2 LEU 24 32.822 -2.197 2.869
205 H ILE 25 H ILE 25 37.502 1.173 1.296
206 HA ILE 25 HA ILE 25 38.587 1.487 -1.275
207 HB ILE 25 HB ILE 25 39.860 2.382 1.323
208 HG12 ILE 25 1HG1 ILE 25 37.946 3.862 -0.507
209 HG13 ILE 25 2HG1 ILE 25 37.460 3.095 1.005
210 HG21 ILE 25 1HG2 ILE 25 41.312 2.489 -0.703
211 HG22 ILE 25 2HG2 ILE 25 40.916 4.086 -0.067
212 HG23 ILE 25 3HG2 ILE 25 40.082 3.474 -1.495
213 HD11 ILE 25 1HD1 ILE 25 39.396 4.501 2.054
214 HD12 ILE 25 2HD1 ILE 25 37.871 5.302 1.676
215 HD13 ILE 25 3HD1 ILE 25 39.251 5.476 0.591
216 H ALA 26 H ALA 26 39.761 -0.427 1.468
217 HA ALA 26 HA ALA 26 42.257 -1.144 0.421
218 HB1 ALA 26 1HB ALA 26 42.299 -2.838 2.022
219 HB2 ALA 26 2HB ALA 26 40.567 -3.142 1.891
220 HB3 ALA 26 3HB ALA 26 41.148 -1.699 2.722
221 H ILE 27 H ILE 27 39.046 -2.582 -0.123
222 HA ILE 27 HA ILE 27 39.886 -4.707 -1.769
223 HB ILE 27 HB ILE 27 37.301 -3.134 -1.933
224 HG12 ILE 27 1HG1 ILE 27 37.949 -5.685 -0.423
225 HG13 ILE 27 2HG1 ILE 27 37.853 -4.091 0.325
226 HG21 ILE 27 1HG2 ILE 27 37.778 -4.601 -3.902
227 HG22 ILE 27 2HG2 ILE 27 36.391 -5.155 -2.964
228 HG23 ILE 27 3HG2 ILE 27 37.947 -5.970 -2.803
229 HD11 ILE 27 1HD1 ILE 27 35.657 -5.765 -0.850
230 HD12 ILE 27 2HD1 ILE 27 35.492 -4.009 -0.837
231 HD13 ILE 27 3HD1 ILE 27 35.693 -4.887 0.679
232 H LEU 28 H LEU 28 39.234 -1.298 -2.533
233 HA LEU 28 HA LEU 28 39.581 -1.472 -5.326
234 HB2 LEU 28 1HB LEU 28 38.814 0.572 -4.089
235 HB3 LEU 28 2HB LEU 28 40.487 0.834 -3.595
236 HG LEU 28 HG LEU 28 41.105 0.740 -6.062
237 HD11 LEU 28 1HD1 LEU 28 39.025 1.472 -7.481
238 HD12 LEU 28 2HD1 LEU 28 38.100 0.688 -6.200
239 HD13 LEU 28 3HD1 LEU 28 39.270 -0.240 -7.138
240 HD21 LEU 28 1HD2 LEU 28 40.747 2.838 -4.611
241 HD22 LEU 28 2HD2 LEU 28 39.179 2.976 -5.406
242 HD23 LEU 28 3HD2 LEU 28 40.661 3.059 -6.358
243 H ALA 29 H ALA 29 41.952 -1.303 -2.709
244 HA ALA 29 HA ALA 29 44.275 -1.060 -4.277
245 HB1 ALA 29 1HB ALA 29 43.900 -1.120 -1.657
246 HB2 ALA 29 2HB ALA 29 45.448 -1.587 -2.362
247 HB3 ALA 29 3HB ALA 29 44.295 -2.827 -1.868
248 H ALA 30 H ALA 30 42.368 -3.908 -3.380
249 HA ALA 30 HA ALA 30 44.050 -5.875 -4.487
250 HB1 ALA 30 1HB ALA 30 41.942 -6.208 -3.074
251 HB2 ALA 30 2HB ALA 30 42.180 -7.332 -4.412
252 HB3 ALA 30 3HB ALA 30 41.036 -5.999 -4.573
253 H SER 31 H SER 31 41.517 -3.880 -5.985
254 HA SER 31 HA SER 31 41.622 -4.981 -8.563
255 HB2 SER 31 1HB SER 31 41.207 -2.066 -7.861
256 HB3 SER 31 2HB SER 31 40.714 -2.869 -9.348
257 HG SER 31 HG SER 31 39.841 -3.474 -6.708
258 H ALA 32 H ALA 32 43.693 -2.524 -7.042
259 HA ALA 32 HA ALA 32 45.231 -1.870 -9.302
260 HB1 ALA 32 1HB ALA 32 46.676 -0.815 -7.837
261 HB2 ALA 32 2HB ALA 32 46.535 -2.082 -6.618
262 HB3 ALA 32 3HB ALA 32 45.228 -0.919 -6.836
263 H LEU 33 H LEU 33 45.543 -4.526 -6.966
264 HA LEU 33 HA LEU 33 47.966 -5.593 -7.925
265 HB2 LEU 33 1HB LEU 33 45.604 -7.105 -6.785
266 HB3 LEU 33 2HB LEU 33 47.261 -7.695 -6.895
267 HG LEU 33 HG LEU 33 46.409 -5.237 -5.336
268 HD11 LEU 33 1HD1 LEU 33 46.544 -6.545 -3.367
269 HD12 LEU 33 2HD1 LEU 33 47.365 -7.866 -4.199
270 HD13 LEU 33 3HD1 LEU 33 45.653 -7.563 -4.499
271 HD21 LEU 33 1HD2 LEU 33 48.686 -4.966 -5.960
272 HD22 LEU 33 2HD2 LEU 33 49.033 -6.682 -5.745
273 HD23 LEU 33 3HD2 LEU 33 48.755 -5.655 -4.338
274 H TRP 34 H TRP 34 44.625 -6.040 -9.050
275 HA TRP 34 HA TRP 34 45.142 -7.960 -11.045
276 HB2 TRP 34 1HB TRP 34 42.886 -7.085 -10.316
277 HB3 TRP 34 2HB TRP 34 43.197 -5.675 -11.310
278 HD1 TRP 34 HD1 TRP 34 42.387 -5.817 -13.705
279 HE1 TRP 34 HE1 TRP 34 41.654 -7.710 -15.292
280 HE3 TRP 34 HE3 TRP 34 43.461 -9.873 -10.795
281 HZ2 TRP 34 HZ2 TRP 34 41.539 -10.572 -15.324
282 HZ3 TRP 34 HZ3 TRP 34 43.032 -12.165 -11.625
283 HH2 TRP 34 HH2 TRP 34 42.074 -12.522 -13.882
284 H ALA 35 H ALA 35 45.639 -4.468 -11.032
285 HA ALA 35 HA ALA 35 46.318 -4.121 -13.739
286 HB1 ALA 35 1HB ALA 35 47.157 -2.054 -13.122
287 HB2 ALA 35 2HB ALA 35 47.832 -2.662 -11.610
288 HB3 ALA 35 3HB ALA 35 46.094 -2.400 -11.757
289 H ALA 36 H ALA 36 48.293 -5.109 -10.971
290 HA ALA 36 HA ALA 36 50.733 -5.459 -12.336
291 HB1 ALA 36 1HB ALA 36 50.141 -5.627 -9.789
292 HB2 ALA 36 2HB ALA 36 51.474 -6.577 -10.445
293 HB3 ALA 36 3HB ALA 36 49.909 -7.337 -10.153
294 H ALA 37 H ALA 37 47.936 -7.597 -12.027
295 HA ALA 37 HA ALA 37 49.038 -9.928 -13.096
296 HB1 ALA 37 1HB ALA 37 46.691 -9.448 -12.054
297 HB2 ALA 37 2HB ALA 37 46.865 -10.720 -13.263
298 HB3 ALA 37 3HB ALA 37 46.216 -9.147 -13.726
299 H TRP 38 H TRP 38 47.760 -7.089 -14.765
300 HA TRP 38 HA TRP 38 47.667 -8.072 -17.358
301 HB2 TRP 38 1HB TRP 38 48.214 -5.363 -16.227
302 HB3 TRP 38 2HB TRP 38 48.361 -5.626 -17.954
303 HD1 TRP 38 HD1 TRP 38 45.830 -5.359 -15.154
304 HE1 TRP 38 HE1 TRP 38 43.461 -5.271 -16.162
305 HE3 TRP 38 HE3 TRP 38 46.906 -6.444 -20.025
306 HZ2 TRP 38 HZ2 TRP 38 42.186 -5.617 -18.704
307 HZ3 TRP 38 HZ3 TRP 38 45.101 -6.560 -21.715
308 HH2 TRP 38 HH2 TRP 38 42.746 -6.149 -21.065
309 H HIS 39 H HIS 39 50.506 -7.368 -15.460
310 HA HIS 39 HA HIS 39 52.406 -6.954 -17.462
311 HB2 HIS 39 1HB HIS 39 52.842 -6.666 -15.068
312 HB3 HIS 39 2HB HIS 39 52.741 -8.401 -14.837
313 HD1 HIS 39 HD1 HIS 39 54.755 -9.829 -15.624
314 HD2 HIS 39 HD2 HIS 39 55.256 -5.739 -16.259
315 HE1 HIS 39 HE1 HIS 39 57.197 -9.488 -16.196
316 H GLY 40 H GLY 40 50.749 -9.895 -16.627
317 HA2 GLY 40 1HA GLY 40 52.642 -11.834 -17.245
318 HA3 GLY 40 2HA GLY 40 50.906 -12.045 -17.414
319 H GLN 41 H GLN 41 50.868 -9.762 -19.447
320 HA GLN 41 HA GLN 41 50.906 -11.317 -21.770
321 HB2 GLN 41 1HB GLN 41 51.207 -8.320 -21.460
322 HB3 GLN 41 2HB GLN 41 50.879 -9.142 -22.986
323 HG2 GLN 41 1HG GLN 41 48.800 -10.058 -22.086
324 HG3 GLN 41 2HG GLN 41 49.133 -9.333 -20.516
325 HE21 GLN 41 1HE2 GLN 41 46.754 -8.703 -21.980
326 HE22 GLN 41 2HE2 GLN 41 46.838 -7.076 -22.458
327 H LYS 42 H LYS 42 52.382 -11.605 -23.426
328 HA LYS 42 HA LYS 42 55.063 -11.866 -22.736
329 HB2 LYS 42 1HB LYS 42 53.782 -11.641 -25.467
330 HB3 LYS 42 2HB LYS 42 55.456 -12.126 -25.198
331 HG2 LYS 42 1HG LYS 42 54.741 -14.042 -23.879
332 HG3 LYS 42 2HG LYS 42 53.057 -13.529 -23.987
333 HD2 LYS 42 1HD LYS 42 53.157 -15.110 -25.695
334 HD3 LYS 42 2HD LYS 42 53.497 -13.624 -26.583
335 HE2 LYS 42 1HE LYS 42 55.223 -15.016 -27.316
336 HE3 LYS 42 2HE LYS 42 55.995 -14.158 -25.984
337 HZ1 LYS 42 1HZ LYS 42 55.939 -16.812 -26.202
338 HZ2 LYS 42 2HZ LYS 42 54.550 -16.563 -25.256
339 HZ3 LYS 42 3HZ LYS 42 56.059 -15.996 -24.720
340 HA PRO 43 HA PRO 43 56.663 -7.712 -23.068
341 HB2 PRO 43 1HB PRO 43 59.172 -8.199 -24.158
342 HB3 PRO 43 2HB PRO 43 58.768 -8.320 -22.436
343 HG2 PRO 43 1HG PRO 43 59.000 -10.467 -24.474
344 HG3 PRO 43 2HG PRO 43 59.493 -10.463 -22.770
345 HD2 PRO 43 1HD PRO 43 57.240 -11.714 -23.577
346 HD3 PRO 43 2HD PRO 43 57.343 -10.904 -21.998
347 H GLY 44 H GLY 44 56.598 -9.832 -25.845
348 HA2 GLY 44 1HA GLY 44 57.448 -8.119 -27.879
349 HA3 GLY 44 2HA GLY 44 56.298 -9.435 -28.090
350 H THR 45 H THR 45 56.430 -6.644 -29.198
351 HA THR 45 HA THR 45 54.426 -5.002 -28.146
352 HB THR 45 HB THR 45 54.305 -4.009 -30.387
353 HG1 THR 45 HG1 THR 45 54.369 -5.928 -31.583
354 HG21 THR 45 1HG2 THR 45 56.578 -3.302 -30.529
355 HG22 THR 45 2HG2 THR 45 57.167 -4.817 -29.846
356 HG23 THR 45 3HG2 THR 45 56.301 -3.667 -28.827
357 H HIS 46 H HIS 46 52.226 -4.803 -28.538
358 HA HIS 46 HA HIS 46 50.916 -6.966 -30.057
359 HB2 HIS 46 1HB HIS 46 49.285 -7.279 -28.285
360 HB3 HIS 46 2HB HIS 46 50.902 -7.606 -27.691
361 HD1 HIS 46 HD1 HIS 46 52.004 -5.569 -26.256
362 HD2 HIS 46 HD2 HIS 46 47.874 -5.418 -26.808
363 HE1 HIS 46 HE1 HIS 46 51.110 -3.949 -24.529
Start of MODEL 2
1 H ARG 1 3H ARG 1 23.904 -3.831 12.520
2 HA ARG 1 HA ARG 1 21.838 -1.798 12.177
3 HB2 ARG 1 1HB ARG 1 21.931 -2.982 9.987
4 HB3 ARG 1 2HB ARG 1 21.739 -4.517 10.835
5 HG2 ARG 1 1HG ARG 1 19.583 -3.705 11.770
6 HG3 ARG 1 2HG ARG 1 19.764 -2.216 10.840
7 HD2 ARG 1 1HD ARG 1 19.860 -3.578 8.752
8 HD3 ARG 1 2HD ARG 1 19.550 -5.020 9.713
9 HE ARG 1 HE ARG 1 17.330 -4.357 9.940
10 HH11 ARG 1 1HH1 ARG 1 19.171 -1.717 8.538
11 HH12 ARG 1 2HH1 ARG 1 17.753 -0.804 8.147
12 HH21 ARG 1 1HH2 ARG 1 15.540 -3.135 9.412
13 HH22 ARG 1 2HH2 ARG 1 15.724 -1.598 8.637
14 H SER 2 H SER 2 22.155 -5.330 12.599
15 HA SER 2 HA SER 2 20.167 -5.574 14.546
16 HB2 SER 2 1HB SER 2 21.136 -7.468 13.265
17 HB3 SER 2 2HB SER 2 22.617 -7.315 14.203
18 HG SER 2 HG SER 2 20.199 -8.415 14.866
19 H LEU 3 H LEU 3 20.148 -5.601 16.744
20 HA LEU 3 HA LEU 3 21.897 -4.024 18.244
21 HB2 LEU 3 1HB LEU 3 19.554 -4.776 18.822
22 HB3 LEU 3 2HB LEU 3 20.253 -6.303 19.342
23 HG LEU 3 HG LEU 3 21.538 -3.833 20.430
24 HD11 LEU 3 1HD1 LEU 3 19.861 -3.278 21.961
25 HD12 LEU 3 2HD1 LEU 3 19.010 -4.806 21.736
26 HD13 LEU 3 3HD1 LEU 3 18.941 -3.566 20.485
27 HD21 LEU 3 1HD2 LEU 3 20.602 -6.217 22.008
28 HD22 LEU 3 2HD2 LEU 3 22.020 -5.201 22.259
29 HD23 LEU 3 3HD2 LEU 3 22.000 -6.379 20.950
30 H LEU 4 H LEU 4 22.297 -7.299 17.204
31 HA LEU 4 HA LEU 4 23.779 -8.393 19.317
32 HB2 LEU 4 1HB LEU 4 24.000 -9.002 16.361
33 HB3 LEU 4 2HB LEU 4 24.562 -10.032 17.676
34 HG LEU 4 HG LEU 4 21.681 -9.177 17.256
35 HD11 LEU 4 1HD1 LEU 4 22.084 -10.718 15.533
36 HD12 LEU 4 2HD1 LEU 4 21.514 -11.753 16.844
37 HD13 LEU 4 3HD1 LEU 4 23.240 -11.638 16.496
38 HD21 LEU 4 1HD2 LEU 4 22.024 -9.598 19.582
39 HD22 LEU 4 2HD2 LEU 4 23.065 -10.983 19.253
40 HD23 LEU 4 3HD2 LEU 4 21.333 -11.087 18.935
41 H GLU 5 H GLU 5 24.713 -6.021 16.963
42 HA GLU 5 HA GLU 5 27.510 -6.618 16.914
43 HB2 GLU 5 1HB GLU 5 26.221 -5.251 15.213
44 HB3 GLU 5 2HB GLU 5 26.247 -3.929 16.381
45 HG2 GLU 5 1HG GLU 5 28.132 -3.608 14.925
46 HG3 GLU 5 2HG GLU 5 28.762 -4.176 16.468
47 H GLY 6 H GLY 6 25.514 -4.710 19.116
48 HA2 GLY 6 1HA GLY 6 25.979 -4.299 21.330
49 HA3 GLY 6 2HA GLY 6 27.522 -5.096 21.105
50 H GLU 7 H GLU 7 27.458 -2.672 18.801
51 HA GLU 7 HA GLU 7 29.450 -1.141 20.039
52 HB2 GLU 7 1HB GLU 7 27.497 -0.324 17.875
53 HB3 GLU 7 2HB GLU 7 28.938 0.586 18.325
54 HG2 GLU 7 1HG GLU 7 30.327 -1.411 17.815
55 HG3 GLU 7 2HG GLU 7 28.880 -2.257 17.291
56 H ILE 8 H ILE 8 29.452 0.777 21.205
57 HA ILE 8 HA ILE 8 27.392 1.139 23.063
58 HB ILE 8 HB ILE 8 29.501 3.145 22.205
59 HG12 ILE 8 1HG1 ILE 8 29.616 1.202 24.520
60 HG13 ILE 8 2HG1 ILE 8 30.310 0.825 22.944
61 HG21 ILE 8 1HG2 ILE 8 27.505 3.886 23.691
62 HG22 ILE 8 2HG2 ILE 8 29.137 4.261 24.237
63 HG23 ILE 8 3HG2 ILE 8 28.264 2.899 24.936
64 HD11 ILE 8 1HD1 ILE 8 31.839 2.660 23.073
65 HD12 ILE 8 2HD1 ILE 8 31.924 1.837 24.629
66 HD13 ILE 8 3HD1 ILE 8 31.013 3.338 24.475
67 HA PRO 9 HA PRO 9 24.379 3.344 20.603
68 HB2 PRO 9 1HB PRO 9 23.275 5.023 22.548
69 HB3 PRO 9 2HB PRO 9 22.786 3.352 22.216
70 HG2 PRO 9 1HG PRO 9 24.603 4.404 24.318
71 HG3 PRO 9 2HG PRO 9 23.399 3.102 24.405
72 HD2 PRO 9 1HD PRO 9 26.008 2.523 24.229
73 HD3 PRO 9 2HD PRO 9 24.799 1.542 23.378
74 H PHE 10 H PHE 10 26.678 5.176 22.527
75 HA PHE 10 HA PHE 10 26.034 7.743 21.706
76 HB2 PHE 10 1HB PHE 10 28.624 6.519 22.597
77 HB3 PHE 10 2HB PHE 10 28.512 8.214 22.164
78 HD1 PHE 10 HD1 PHE 10 26.536 9.540 23.329
79 HD2 PHE 10 HD2 PHE 10 28.266 5.901 24.813
80 HE1 PHE 10 HE1 PHE 10 25.713 10.078 25.607
81 HE2 PHE 10 HE2 PHE 10 27.444 6.438 27.090
82 HZ PHE 10 HZ PHE 10 26.166 8.526 27.487
83 HA PRO 11 HA PRO 11 26.962 7.893 17.409
84 HB2 PRO 11 1HB PRO 11 28.281 10.525 17.752
85 HB3 PRO 11 2HB PRO 11 26.909 10.056 16.734
86 HG2 PRO 11 1HG PRO 11 26.589 11.484 18.956
87 HG3 PRO 11 2HG PRO 11 25.396 10.283 18.428
88 HD2 PRO 11 1HD PRO 11 27.414 10.086 20.627
89 HD3 PRO 11 2HD PRO 11 25.766 9.426 20.527
90 HA PRO 12 HA PRO 12 31.801 8.682 17.311
91 HB2 PRO 12 1HB PRO 12 32.529 7.199 19.792
92 HB3 PRO 12 2HB PRO 12 33.279 8.641 19.073
93 HG2 PRO 12 1HG PRO 12 31.771 8.839 21.236
94 HG3 PRO 12 2HG PRO 12 31.698 10.067 19.956
95 HD2 PRO 12 1HD PRO 12 29.766 7.850 20.540
96 HD3 PRO 12 2HD PRO 12 29.434 9.524 20.034
97 H THR 13 H THR 13 30.264 5.825 18.760
98 HA THR 13 HA THR 13 31.886 3.859 17.564
99 HB THR 13 HB THR 13 29.978 2.350 17.867
100 HG1 THR 13 HG1 THR 13 28.003 3.104 18.167
101 HG21 THR 13 1HG2 THR 13 29.880 2.499 20.225
102 HG22 THR 13 2HG2 THR 13 30.001 4.258 20.203
103 HG23 THR 13 3HG2 THR 13 31.410 3.273 19.810
104 H SER 14 H SER 14 29.099 5.658 16.282
105 HA SER 14 HA SER 14 28.880 4.355 13.813
106 HB2 SER 14 1HB SER 14 28.509 7.310 14.349
107 HB3 SER 14 2HB SER 14 27.837 6.395 13.003
108 HG SER 14 HG SER 14 26.903 6.693 15.501
109 H ILE 15 H ILE 15 31.086 6.943 14.863
110 HA ILE 15 HA ILE 15 32.263 7.442 12.350
111 HB ILE 15 HB ILE 15 33.654 7.524 15.041
112 HG12 ILE 15 1HG1 ILE 15 32.195 9.723 13.541
113 HG13 ILE 15 2HG1 ILE 15 31.518 8.849 14.915
114 HG21 ILE 15 1HG2 ILE 15 34.210 9.046 12.478
115 HG22 ILE 15 2HG2 ILE 15 35.116 7.625 12.998
116 HG23 ILE 15 3HG2 ILE 15 35.156 9.099 13.965
117 HD11 ILE 15 1HD1 ILE 15 33.413 9.597 16.318
118 HD12 ILE 15 2HD1 ILE 15 32.521 10.968 15.657
119 HD13 ILE 15 3HD1 ILE 15 34.065 10.496 14.947
120 H LEU 16 H LEU 16 32.891 4.888 14.730
121 HA LEU 16 HA LEU 16 35.126 3.728 13.458
122 HB2 LEU 16 1HB LEU 16 34.245 3.057 15.706
123 HB3 LEU 16 2HB LEU 16 32.934 2.211 14.883
124 HG LEU 16 HG LEU 16 34.708 0.955 13.574
125 HD11 LEU 16 1HD1 LEU 16 36.635 2.321 13.849
126 HD12 LEU 16 2HD1 LEU 16 36.948 0.890 14.832
127 HD13 LEU 16 3HD1 LEU 16 36.431 2.391 15.599
128 HD21 LEU 16 1HD2 LEU 16 33.479 0.040 15.568
129 HD22 LEU 16 2HD2 LEU 16 34.806 0.603 16.585
130 HD23 LEU 16 3HD2 LEU 16 35.094 -0.639 15.367
131 H LEU 17 H LEU 17 31.653 3.394 12.804
132 HA LEU 17 HA LEU 17 31.834 1.386 10.840
133 HB2 LEU 17 1HB LEU 17 29.691 2.305 11.781
134 HB3 LEU 17 2HB LEU 17 29.912 3.718 10.748
135 HG LEU 17 HG LEU 17 30.112 2.103 8.791
136 HD11 LEU 17 1HD1 LEU 17 30.513 0.004 9.749
137 HD12 LEU 17 2HD1 LEU 17 28.796 -0.087 9.360
138 HD13 LEU 17 3HD1 LEU 17 29.308 0.244 11.015
139 HD21 LEU 17 1HD2 LEU 17 28.091 3.308 8.909
140 HD22 LEU 17 2HD2 LEU 17 27.597 2.513 10.404
141 HD23 LEU 17 3HD2 LEU 17 27.550 1.631 8.878
142 H LEU 18 H LEU 18 32.423 4.869 10.619
143 HA LEU 18 HA LEU 18 32.614 5.050 7.810
144 HB2 LEU 18 1HB LEU 18 34.229 6.605 9.844
145 HB3 LEU 18 2HB LEU 18 33.950 7.056 8.166
146 HG LEU 18 HG LEU 18 31.766 6.711 10.241
147 HD11 LEU 18 1HD1 LEU 18 31.629 9.132 10.253
148 HD12 LEU 18 2HD1 LEU 18 32.856 9.249 8.992
149 HD13 LEU 18 3HD1 LEU 18 33.298 8.678 10.602
150 HD21 LEU 18 1HD2 LEU 18 30.801 6.297 8.117
151 HD22 LEU 18 2HD2 LEU 18 31.816 7.503 7.327
152 HD23 LEU 18 3HD2 LEU 18 30.503 8.014 8.388
153 H LEU 19 H LEU 19 35.027 4.111 10.241
154 HA LEU 19 HA LEU 19 37.186 3.747 8.455
155 HB2 LEU 19 1HB LEU 19 36.506 2.467 11.085
156 HB3 LEU 19 2HB LEU 19 37.893 1.922 10.150
157 HG LEU 19 HG LEU 19 38.625 4.357 10.042
158 HD11 LEU 19 1HD1 LEU 19 36.262 4.534 11.887
159 HD12 LEU 19 2HD1 LEU 19 36.758 5.639 10.606
160 HD13 LEU 19 3HD1 LEU 19 37.634 5.612 12.136
161 HD21 LEU 19 1HD2 LEU 19 39.429 2.516 11.674
162 HD22 LEU 19 2HD2 LEU 19 38.432 3.333 12.877
163 HD23 LEU 19 3HD2 LEU 19 39.770 4.190 12.112
164 H ALA 20 H ALA 20 34.427 1.677 9.180
165 HA ALA 20 HA ALA 20 35.285 -0.646 7.845
166 HB1 ALA 20 1HB ALA 20 33.061 -1.359 7.932
167 HB2 ALA 20 2HB ALA 20 32.428 0.275 7.736
168 HB3 ALA 20 3HB ALA 20 33.151 -0.212 9.269
169 H CYS 21 H CYS 21 33.654 2.253 6.623
170 HA CYS 21 HA CYS 21 33.350 1.425 3.946
171 HB2 CYS 21 1HB CYS 21 33.867 4.190 5.068
172 HB3 CYS 21 2HB CYS 21 33.352 3.861 3.414
173 HG CYS 21 HG CYS 21 31.598 3.418 5.949
174 H ILE 22 H ILE 22 36.090 2.934 5.621
175 HA ILE 22 HA ILE 22 37.777 3.240 3.385
176 HB ILE 22 HB ILE 22 38.612 2.588 6.218
177 HG12 ILE 22 1HG1 ILE 22 37.109 4.527 6.208
178 HG13 ILE 22 2HG1 ILE 22 38.762 5.042 6.520
179 HG21 ILE 22 1HG2 ILE 22 40.429 2.396 4.595
180 HG22 ILE 22 2HG2 ILE 22 40.657 3.840 5.581
181 HG23 ILE 22 3HG2 ILE 22 40.036 3.984 3.937
182 HD11 ILE 22 1HD1 ILE 22 38.989 5.660 4.109
183 HD12 ILE 22 2HD1 ILE 22 37.716 6.564 4.924
184 HD13 ILE 22 3HD1 ILE 22 37.298 5.219 3.867
185 H PHE 23 H PHE 23 37.126 0.406 5.426
186 HA PHE 23 HA PHE 23 39.120 -1.279 4.394
187 HB2 PHE 23 1HB PHE 23 37.599 -1.835 6.295
188 HB3 PHE 23 2HB PHE 23 36.315 -2.112 5.133
189 HD1 PHE 23 HD1 PHE 23 36.334 -4.076 3.677
190 HD2 PHE 23 HD2 PHE 23 39.475 -3.375 6.523
191 HE1 PHE 23 HE1 PHE 23 37.105 -6.417 3.402
192 HE2 PHE 23 HE2 PHE 23 40.247 -5.716 6.248
193 HZ PHE 23 HZ PHE 23 39.062 -7.236 4.686
194 H LEU 24 H LEU 24 35.909 -0.488 3.068
195 HA LEU 24 HA LEU 24 35.975 -2.186 0.844
196 HB2 LEU 24 1HB LEU 24 34.036 -0.760 1.511
197 HB3 LEU 24 2HB LEU 24 34.901 0.642 0.880
198 HG LEU 24 HG LEU 24 35.069 -0.593 -1.333
199 HD11 LEU 24 1HD1 LEU 24 34.660 -2.843 -0.863
200 HD12 LEU 24 2HD1 LEU 24 33.095 -2.324 -1.487
201 HD13 LEU 24 3HD1 LEU 24 33.345 -2.475 0.253
202 HD21 LEU 24 1HD2 LEU 24 32.681 -0.115 -1.924
203 HD22 LEU 24 2HD2 LEU 24 33.446 1.195 -1.024
204 HD23 LEU 24 3HD2 LEU 24 32.337 0.093 -0.208
205 H ILE 25 H ILE 25 37.459 1.025 1.274
206 HA ILE 25 HA ILE 25 38.552 1.246 -1.308
207 HB ILE 25 HB ILE 25 39.864 2.215 1.243
208 HG12 ILE 25 1HG1 ILE 25 37.922 3.649 -0.596
209 HG13 ILE 25 2HG1 ILE 25 37.461 2.940 0.951
210 HG21 ILE 25 1HG2 ILE 25 40.038 3.188 -1.623
211 HG22 ILE 25 2HG2 ILE 25 41.283 2.251 -0.796
212 HG23 ILE 25 3HG2 ILE 25 40.885 3.875 -0.237
213 HD11 ILE 25 1HD1 ILE 25 37.902 5.202 1.474
214 HD12 ILE 25 2HD1 ILE 25 39.327 5.253 0.435
215 HD13 ILE 25 3HD1 ILE 25 39.374 4.357 1.954
216 H ALA 26 H ALA 26 39.686 -0.614 1.480
217 HA ALA 26 HA ALA 26 42.196 -1.365 0.498
218 HB1 ALA 26 1HB ALA 26 41.077 -1.893 2.776
219 HB2 ALA 26 2HB ALA 26 42.162 -3.098 2.083
220 HB3 ALA 26 3HB ALA 26 40.416 -3.306 1.954
221 H ILE 27 H ILE 27 38.997 -2.806 -0.100
222 HA ILE 27 HA ILE 27 39.866 -4.925 -1.739
223 HB ILE 27 HB ILE 27 37.273 -3.366 -1.903
224 HG12 ILE 27 1HG1 ILE 27 37.915 -5.952 -0.456
225 HG13 ILE 27 2HG1 ILE 27 37.872 -4.379 0.335
226 HG21 ILE 27 1HG2 ILE 27 37.950 -6.179 -2.827
227 HG22 ILE 27 2HG2 ILE 27 37.753 -4.792 -3.899
228 HG23 ILE 27 3HG2 ILE 27 36.381 -5.385 -2.963
229 HD11 ILE 27 1HD1 ILE 27 35.598 -4.296 0.326
230 HD12 ILE 27 2HD1 ILE 27 35.723 -6.042 0.146
231 HD13 ILE 27 3HD1 ILE 27 35.461 -5.030 -1.271
232 H LEU 28 H LEU 28 39.232 -1.515 -2.504
233 HA LEU 28 HA LEU 28 39.607 -1.689 -5.296
234 HB2 LEU 28 1HB LEU 28 38.850 0.369 -4.062
235 HB3 LEU 28 2HB LEU 28 40.527 0.619 -3.576
236 HG LEU 28 HG LEU 28 41.108 0.453 -6.071
237 HD11 LEU 28 1HD1 LEU 28 39.172 1.170 -7.540
238 HD12 LEU 28 2HD1 LEU 28 38.101 0.800 -6.188
239 HD13 LEU 28 3HD1 LEU 28 39.063 -0.481 -6.927
240 HD21 LEU 28 1HD2 LEU 28 40.615 2.821 -6.415
241 HD22 LEU 28 2HD2 LEU 28 41.075 2.563 -4.732
242 HD23 LEU 28 3HD2 LEU 28 39.378 2.775 -5.160
243 H ALA 29 H ALA 29 41.952 -1.575 -2.659
244 HA ALA 29 HA ALA 29 44.300 -1.315 -4.185
245 HB1 ALA 29 1HB ALA 29 44.185 -3.134 -1.800
246 HB2 ALA 29 2HB ALA 29 43.938 -1.400 -1.597
247 HB3 ALA 29 3HB ALA 29 45.450 -2.001 -2.277
248 H ALA 30 H ALA 30 42.344 -4.163 -3.407
249 HA ALA 30 HA ALA 30 44.009 -6.124 -4.551
250 HB1 ALA 30 1HB ALA 30 41.832 -6.416 -3.198
251 HB2 ALA 30 2HB ALA 30 42.138 -7.552 -4.513
252 HB3 ALA 30 3HB ALA 30 41.005 -6.219 -4.744
253 H SER 31 H SER 31 41.541 -4.035 -6.030
254 HA SER 31 HA SER 31 41.696 -5.034 -8.647
255 HB2 SER 31 1HB SER 31 41.335 -2.128 -7.886
256 HB3 SER 31 2HB SER 31 40.826 -2.904 -9.381
257 HG SER 31 HG SER 31 39.097 -3.530 -8.373
258 H ALA 32 H ALA 32 43.799 -2.712 -6.972
259 HA ALA 32 HA ALA 32 45.409 -1.993 -9.160
260 HB1 ALA 32 1HB ALA 32 46.531 -2.417 -6.400
261 HB2 ALA 32 2HB ALA 32 45.416 -1.090 -6.733
262 HB3 ALA 32 3HB ALA 32 46.956 -1.184 -7.588
263 H LEU 33 H LEU 33 45.555 -4.802 -6.996
264 HA LEU 33 HA LEU 33 47.941 -5.922 -7.984
265 HB2 LEU 33 1HB LEU 33 46.703 -6.731 -5.970
266 HB3 LEU 33 2HB LEU 33 45.505 -7.449 -7.047
267 HG LEU 33 HG LEU 33 47.407 -8.699 -8.163
268 HD11 LEU 33 1HD1 LEU 33 49.316 -7.434 -7.506
269 HD12 LEU 33 2HD1 LEU 33 49.437 -8.950 -6.614
270 HD13 LEU 33 3HD1 LEU 33 48.862 -7.494 -5.802
271 HD21 LEU 33 1HD2 LEU 33 45.915 -9.791 -6.541
272 HD22 LEU 33 2HD2 LEU 33 46.908 -9.197 -5.210
273 HD23 LEU 33 3HD2 LEU 33 47.566 -10.380 -6.341
274 H TRP 34 H TRP 34 44.612 -6.111 -9.211
275 HA TRP 34 HA TRP 34 45.082 -7.900 -11.338
276 HB2 TRP 34 1HB TRP 34 42.856 -6.914 -10.608
277 HB3 TRP 34 2HB TRP 34 43.294 -5.486 -11.524
278 HD1 TRP 34 HD1 TRP 34 43.682 -9.209 -12.484
279 HE1 TRP 34 HE1 TRP 34 42.471 -9.583 -14.728
280 HE3 TRP 34 HE3 TRP 34 41.720 -4.551 -13.216
281 HZ2 TRP 34 HZ2 TRP 34 40.874 -8.103 -16.589
282 HZ3 TRP 34 HZ3 TRP 34 40.362 -4.061 -15.226
283 HH2 TRP 34 HH2 TRP 34 39.936 -5.826 -16.912
284 H ALA 35 H ALA 35 45.787 -4.460 -11.033
285 HA ALA 35 HA ALA 35 46.557 -3.941 -13.690
286 HB1 ALA 35 1HB ALA 35 47.491 -1.974 -12.890
287 HB2 ALA 35 2HB ALA 35 48.067 -2.729 -11.404
288 HB3 ALA 35 3HB ALA 35 46.353 -2.360 -11.598
289 H ALA 36 H ALA 36 48.400 -5.254 -10.961
290 HA ALA 36 HA ALA 36 50.860 -5.560 -12.296
291 HB1 ALA 36 1HB ALA 36 49.606 -6.672 -9.872
292 HB2 ALA 36 2HB ALA 36 51.224 -6.023 -10.116
293 HB3 ALA 36 3HB ALA 36 50.865 -7.684 -10.579
294 H ALA 37 H ALA 37 47.999 -7.646 -12.255
295 HA ALA 37 HA ALA 37 49.048 -9.846 -13.621
296 HB1 ALA 37 1HB ALA 37 46.738 -9.572 -12.559
297 HB2 ALA 37 2HB ALA 37 46.819 -10.479 -14.069
298 HB3 ALA 37 3HB ALA 37 46.259 -8.806 -14.074
299 H TRP 38 H TRP 38 47.852 -6.777 -14.895
300 HA TRP 38 HA TRP 38 47.788 -7.373 -17.603
301 HB2 TRP 38 1HB TRP 38 48.617 -4.808 -16.261
302 HB3 TRP 38 2HB TRP 38 48.312 -4.964 -17.974
303 HD1 TRP 38 HD1 TRP 38 45.689 -7.007 -17.138
304 HE1 TRP 38 HE1 TRP 38 43.505 -5.769 -16.562
305 HE3 TRP 38 HE3 TRP 38 47.546 -2.351 -16.171
306 HZ2 TRP 38 HZ2 TRP 38 42.654 -3.143 -15.790
307 HZ3 TRP 38 HZ3 TRP 38 46.034 -0.504 -15.520
308 HH2 TRP 38 HH2 TRP 38 43.594 -0.890 -15.328
309 H HIS 39 H HIS 39 50.604 -7.065 -15.581
310 HA HIS 39 HA HIS 39 52.507 -6.198 -17.425
311 HB2 HIS 39 1HB HIS 39 52.794 -8.097 -15.100
312 HB3 HIS 39 2HB HIS 39 54.143 -7.400 -15.977
313 HD1 HIS 39 HD1 HIS 39 53.903 -6.829 -13.003
314 HD2 HIS 39 HD2 HIS 39 52.181 -4.388 -15.911
315 HE1 HIS 39 HE1 HIS 39 53.590 -4.556 -11.934
316 H GLY 40 H GLY 40 51.002 -9.357 -17.141
317 HA2 GLY 40 1HA GLY 40 52.941 -10.950 -18.383
318 HA3 GLY 40 2HA GLY 40 51.210 -11.260 -18.422
319 H GLN 41 H GLN 41 50.575 -8.753 -19.788
320 HA GLN 41 HA GLN 41 50.676 -9.543 -22.463
321 HB2 GLN 41 1HB GLN 41 50.364 -6.773 -21.285
322 HB3 GLN 41 2HB GLN 41 50.032 -7.196 -22.965
323 HG2 GLN 41 1HG GLN 41 48.320 -8.792 -22.262
324 HG3 GLN 41 2HG GLN 41 48.687 -8.475 -20.569
325 HE21 GLN 41 1HE2 GLN 41 46.066 -8.044 -21.661
326 HE22 GLN 41 2HE2 GLN 41 45.746 -6.377 -21.622
327 H LYS 42 H LYS 42 51.987 -9.040 -24.185
328 HA LYS 42 HA LYS 42 54.706 -8.528 -23.862
329 HB2 LYS 42 1HB LYS 42 53.362 -9.396 -25.912
330 HB3 LYS 42 2HB LYS 42 53.196 -7.691 -26.329
331 HG2 LYS 42 1HG LYS 42 55.532 -7.402 -26.564
332 HG3 LYS 42 2HG LYS 42 55.888 -8.905 -25.712
333 HD2 LYS 42 1HD LYS 42 54.946 -10.211 -27.550
334 HD3 LYS 42 2HD LYS 42 54.479 -8.732 -28.391
335 HE2 LYS 42 1HE LYS 42 56.567 -9.560 -29.340
336 HE3 LYS 42 2HE LYS 42 56.883 -8.062 -28.465
337 HZ1 LYS 42 1HZ LYS 42 57.136 -10.663 -27.104
338 HZ2 LYS 42 2HZ LYS 42 57.877 -9.181 -26.730
339 HZ3 LYS 42 3HZ LYS 42 58.404 -10.081 -28.070
340 HA PRO 43 HA PRO 43 54.855 -4.167 -22.922
341 HB2 PRO 43 1HB PRO 43 57.142 -3.956 -24.822
342 HB3 PRO 43 2HB PRO 43 57.042 -3.471 -23.117
343 HG2 PRO 43 1HG PRO 43 58.384 -5.636 -23.838
344 HG3 PRO 43 2HG PRO 43 57.425 -5.604 -22.345
345 HD2 PRO 43 1HD PRO 43 56.789 -6.912 -24.958
346 HD3 PRO 43 2HD PRO 43 56.432 -7.466 -23.306
347 H GLY 44 H GLY 44 54.108 -2.232 -23.775
348 HA2 GLY 44 1HA GLY 44 52.509 -2.304 -26.059
349 HA3 GLY 44 2HA GLY 44 53.040 -0.834 -25.254
350 H THR 45 H THR 45 55.928 -1.560 -25.785
351 HA THR 45 HA THR 45 56.322 -0.076 -28.120
352 HB THR 45 HB THR 45 58.192 -2.160 -26.969
353 HG1 THR 45 HG1 THR 45 59.010 -0.096 -25.986
354 HG21 THR 45 1HG2 THR 45 58.682 0.348 -28.603
355 HG22 THR 45 2HG2 THR 45 58.820 -1.308 -29.196
356 HG23 THR 45 3HG2 THR 45 59.931 -0.719 -27.959
357 H HIS 46 H HIS 46 56.733 -0.616 -30.249
358 HA HIS 46 HA HIS 46 55.533 -3.086 -31.161
359 HB2 HIS 46 1HB HIS 46 55.221 -0.891 -32.311
360 HB3 HIS 46 2HB HIS 46 56.916 -0.926 -32.755
361 HD1 HIS 46 HD1 HIS 46 53.843 -3.155 -33.172
362 HD2 HIS 46 HD2 HIS 46 57.310 -2.083 -35.224
363 HE1 HIS 46 HE1 HIS 46 53.727 -4.306 -35.424
Start of MODEL 3
1 H ARG 1 3H ARG 1 35.529 18.939 6.787
2 HA ARG 1 HA ARG 1 33.636 20.269 6.672
3 HB2 ARG 1 1HB ARG 1 33.073 17.953 8.549
4 HB3 ARG 1 2HB ARG 1 31.855 18.808 7.601
5 HG2 ARG 1 1HG ARG 1 33.084 18.186 5.524
6 HG3 ARG 1 2HG ARG 1 34.212 17.247 6.504
7 HD2 ARG 1 1HD ARG 1 32.236 15.947 7.380
8 HD3 ARG 1 2HD ARG 1 31.236 16.782 6.195
9 HE ARG 1 HE ARG 1 33.171 15.778 4.634
10 HH11 ARG 1 1HH1 ARG 1 31.296 14.227 7.164
11 HH12 ARG 1 2HH1 ARG 1 31.407 12.664 6.425
12 HH21 ARG 1 1HH2 ARG 1 33.280 13.743 3.730
13 HH22 ARG 1 2HH2 ARG 1 32.517 12.395 4.506
14 H SER 2 H SER 2 33.044 22.163 7.509
15 HA SER 2 HA SER 2 33.623 23.052 10.094
16 HB2 SER 2 1HB SER 2 32.332 24.980 9.573
17 HB3 SER 2 2HB SER 2 33.027 24.444 8.046
18 HG SER 2 HG SER 2 30.611 24.927 8.294
19 H LEU 3 H LEU 3 32.399 23.306 11.950
20 HA LEU 3 HA LEU 3 30.653 21.247 12.679
21 HB2 LEU 3 1HB LEU 3 31.160 23.968 13.868
22 HB3 LEU 3 2HB LEU 3 30.050 22.810 14.602
23 HG LEU 3 HG LEU 3 32.078 21.146 14.333
24 HD11 LEU 3 1HD1 LEU 3 33.308 23.884 14.082
25 HD12 LEU 3 2HD1 LEU 3 33.665 22.424 13.160
26 HD13 LEU 3 3HD1 LEU 3 34.207 22.566 14.833
27 HD21 LEU 3 1HD2 LEU 3 32.927 21.933 16.583
28 HD22 LEU 3 2HD2 LEU 3 31.178 21.728 16.499
29 HD23 LEU 3 3HD2 LEU 3 31.881 23.343 16.413
30 H LEU 4 H LEU 4 29.956 24.198 10.978
31 HA LEU 4 HA LEU 4 27.289 24.640 11.718
32 HB2 LEU 4 1HB LEU 4 28.784 26.143 10.359
33 HB3 LEU 4 2HB LEU 4 28.460 25.107 8.974
34 HG LEU 4 HG LEU 4 26.061 26.054 10.486
35 HD11 LEU 4 1HD1 LEU 4 27.456 27.931 8.574
36 HD12 LEU 4 2HD1 LEU 4 27.647 28.049 10.323
37 HD13 LEU 4 3HD1 LEU 4 26.055 28.258 9.595
38 HD21 LEU 4 1HD2 LEU 4 26.258 24.664 8.246
39 HD22 LEU 4 2HD2 LEU 4 26.491 26.250 7.517
40 HD23 LEU 4 3HD2 LEU 4 25.013 25.900 8.412
41 H GLU 5 H GLU 5 28.661 22.163 9.686
42 HA GLU 5 HA GLU 5 26.321 21.618 8.145
43 HB2 GLU 5 1HB GLU 5 28.648 20.952 7.521
44 HB3 GLU 5 2HB GLU 5 28.586 19.725 8.786
45 HG2 GLU 5 1HG GLU 5 26.570 18.750 7.702
46 HG3 GLU 5 2HG GLU 5 26.714 19.936 6.412
47 H GLY 6 H GLY 6 27.326 20.614 11.353
48 HA2 GLY 6 1HA GLY 6 26.073 19.666 13.027
49 HA3 GLY 6 2HA GLY 6 24.668 19.859 11.991
50 H GLU 7 H GLU 7 27.378 17.991 10.813
51 HA GLU 7 HA GLU 7 25.986 15.570 10.555
52 HB2 GLU 7 1HB GLU 7 28.951 16.082 10.809
53 HB3 GLU 7 2HB GLU 7 28.241 14.541 10.328
54 HG2 GLU 7 1HG GLU 7 27.096 15.691 8.443
55 HG3 GLU 7 2HG GLU 7 27.897 17.190 8.896
56 H ILE 8 H ILE 8 27.366 16.976 13.392
57 HA ILE 8 HA ILE 8 28.464 14.745 14.646
58 HB ILE 8 HB ILE 8 27.324 17.213 15.957
59 HG12 ILE 8 1HG1 ILE 8 30.171 16.639 15.093
60 HG13 ILE 8 2HG1 ILE 8 29.047 17.589 14.125
61 HG21 ILE 8 1HG2 ILE 8 28.934 16.724 17.747
62 HG22 ILE 8 2HG2 ILE 8 29.459 15.270 16.899
63 HG23 ILE 8 3HG2 ILE 8 27.824 15.367 17.550
64 HD11 ILE 8 1HD1 ILE 8 29.905 18.218 16.964
65 HD12 ILE 8 2HD1 ILE 8 28.752 19.157 16.015
66 HD13 ILE 8 3HD1 ILE 8 30.439 19.064 15.511
67 HA PRO 9 HA PRO 9 24.270 14.337 17.162
68 HB2 PRO 9 1HB PRO 9 22.492 13.847 14.816
69 HB3 PRO 9 2HB PRO 9 22.126 14.618 16.373
70 HG2 PRO 9 1HG PRO 9 22.425 16.072 14.189
71 HG3 PRO 9 2HG PRO 9 23.060 16.631 15.749
72 HD2 PRO 9 1HD PRO 9 24.542 15.453 13.431
73 HD3 PRO 9 2HD PRO 9 25.036 16.754 14.536
74 H PHE 10 H PHE 10 25.198 12.703 14.188
75 HA PHE 10 HA PHE 10 24.141 10.170 14.663
76 HB2 PHE 10 1HB PHE 10 26.644 11.089 13.279
77 HB3 PHE 10 2HB PHE 10 26.240 9.386 13.391
78 HD1 PHE 10 HD1 PHE 10 23.808 8.744 12.590
79 HD2 PHE 10 HD2 PHE 10 25.872 12.347 11.486
80 HE1 PHE 10 HE1 PHE 10 22.337 8.979 10.606
81 HE2 PHE 10 HE2 PHE 10 24.401 12.582 9.503
82 HZ PHE 10 HZ PHE 10 22.634 10.899 9.063
83 HA PRO 11 HA PRO 11 26.360 8.843 18.310
84 HB2 PRO 11 1HB PRO 11 26.511 6.116 17.136
85 HB3 PRO 11 2HB PRO 11 25.817 6.647 18.679
86 HG2 PRO 11 1HG PRO 11 24.282 5.935 16.624
87 HG3 PRO 11 2HG PRO 11 23.817 7.236 17.736
88 HD2 PRO 11 1HD PRO 11 24.896 7.444 14.951
89 HD3 PRO 11 2HD PRO 11 23.688 8.455 15.776
90 HA PRO 12 HA PRO 12 30.658 8.913 16.909
91 HB2 PRO 12 1HB PRO 12 31.863 7.730 19.127
92 HB3 PRO 12 2HB PRO 12 31.496 9.457 18.962
93 HG2 PRO 12 1HG PRO 12 30.010 7.342 20.414
94 HG3 PRO 12 2HG PRO 12 30.258 9.047 20.832
95 HD2 PRO 12 1HD PRO 12 27.909 8.153 19.822
96 HD3 PRO 12 2HD PRO 12 28.527 9.783 19.469
97 H THR 13 H THR 13 29.215 5.986 18.309
98 HA THR 13 HA THR 13 31.040 4.098 17.308
99 HB THR 13 HB THR 13 28.049 3.732 17.577
100 HG1 THR 13 HG1 THR 13 28.385 3.485 19.676
101 HG21 THR 13 1HG2 THR 13 29.182 1.903 16.420
102 HG22 THR 13 2HG2 THR 13 28.731 1.384 18.045
103 HG23 THR 13 3HG2 THR 13 30.402 1.825 17.692
104 H SER 14 H SER 14 28.297 5.736 15.731
105 HA SER 14 HA SER 14 28.319 4.234 13.345
106 HB2 SER 14 1HB SER 14 27.043 5.974 12.383
107 HB3 SER 14 2HB SER 14 26.617 5.997 14.090
108 HG SER 14 HG SER 14 28.317 7.719 12.631
109 H ILE 15 H ILE 15 30.243 7.037 14.377
110 HA ILE 15 HA ILE 15 31.599 7.471 11.945
111 HB ILE 15 HB ILE 15 32.709 7.804 14.746
112 HG12 ILE 15 1HG1 ILE 15 31.289 9.812 12.967
113 HG13 ILE 15 2HG1 ILE 15 30.522 8.972 14.315
114 HG21 ILE 15 1HG2 ILE 15 34.211 9.423 13.724
115 HG22 ILE 15 2HG2 ILE 15 33.441 9.198 12.153
116 HG23 ILE 15 3HG2 ILE 15 34.376 7.887 12.872
117 HD11 ILE 15 1HD1 ILE 15 32.438 9.886 15.763
118 HD12 ILE 15 2HD1 ILE 15 31.229 11.050 15.220
119 HD13 ILE 15 3HD1 ILE 15 32.793 10.959 14.410
120 H LEU 16 H LEU 16 32.189 5.117 14.538
121 HA LEU 16 HA LEU 16 34.616 4.078 13.543
122 HB2 LEU 16 1HB LEU 16 32.433 2.496 14.915
123 HB3 LEU 16 2HB LEU 16 34.132 2.060 14.790
124 HG LEU 16 HG LEU 16 33.095 4.545 16.180
125 HD11 LEU 16 1HD1 LEU 16 34.153 1.934 17.311
126 HD12 LEU 16 2HD1 LEU 16 32.478 2.483 17.384
127 HD13 LEU 16 3HD1 LEU 16 33.732 3.363 18.257
128 HD21 LEU 16 1HD2 LEU 16 35.823 3.369 15.684
129 HD22 LEU 16 2HD2 LEU 16 35.532 4.338 17.129
130 HD23 LEU 16 3HD2 LEU 16 35.294 5.044 15.531
131 H LEU 17 H LEU 17 31.258 3.410 12.619
132 HA LEU 17 HA LEU 17 31.765 1.297 10.833
133 HB2 LEU 17 1HB LEU 17 29.486 2.105 11.515
134 HB3 LEU 17 2HB LEU 17 29.701 3.463 10.408
135 HG LEU 17 HG LEU 17 30.180 1.757 8.587
136 HD11 LEU 17 1HD1 LEU 17 30.695 -0.209 9.818
137 HD12 LEU 17 2HD1 LEU 17 29.101 -0.517 9.130
138 HD13 LEU 17 3HD1 LEU 17 29.255 -0.052 10.824
139 HD21 LEU 17 1HD2 LEU 17 27.685 1.086 8.469
140 HD22 LEU 17 2HD2 LEU 17 28.056 2.809 8.519
141 HD23 LEU 17 3HD2 LEU 17 27.507 1.984 9.977
142 H LEU 18 H LEU 18 32.103 4.795 10.402
143 HA LEU 18 HA LEU 18 32.616 4.795 7.631
144 HB2 LEU 18 1HB LEU 18 33.914 6.602 9.681
145 HB3 LEU 18 2HB LEU 18 33.750 6.912 7.958
146 HG LEU 18 HG LEU 18 31.418 6.540 9.859
147 HD11 LEU 18 1HD1 LEU 18 32.462 9.073 8.559
148 HD12 LEU 18 2HD1 LEU 18 32.750 8.631 10.243
149 HD13 LEU 18 3HD1 LEU 18 31.107 8.944 9.681
150 HD21 LEU 18 1HD2 LEU 18 30.276 7.667 7.797
151 HD22 LEU 18 2HD2 LEU 18 30.650 5.945 7.714
152 HD23 LEU 18 3HD2 LEU 18 31.698 7.114 6.912
153 H LEU 19 H LEU 19 34.757 4.122 10.376
154 HA LEU 19 HA LEU 19 37.159 3.833 8.922
155 HB2 LEU 19 1HB LEU 19 36.311 2.155 11.294
156 HB3 LEU 19 2HB LEU 19 37.953 2.422 10.725
157 HG LEU 19 HG LEU 19 36.106 4.621 11.695
158 HD11 LEU 19 1HD1 LEU 19 38.384 3.146 13.044
159 HD12 LEU 19 2HD1 LEU 19 36.703 3.215 13.570
160 HD13 LEU 19 3HD1 LEU 19 37.710 4.661 13.644
161 HD21 LEU 19 1HD2 LEU 19 37.652 5.647 10.259
162 HD22 LEU 19 2HD2 LEU 19 38.931 4.501 10.661
163 HD23 LEU 19 3HD2 LEU 19 38.471 5.751 11.817
164 H ALA 20 H ALA 20 34.454 1.607 9.366
165 HA ALA 20 HA ALA 20 35.560 -0.658 8.113
166 HB1 ALA 20 1HB ALA 20 33.390 -1.488 7.988
167 HB2 ALA 20 2HB ALA 20 32.690 0.105 7.697
168 HB3 ALA 20 3HB ALA 20 33.264 -0.324 9.308
169 H CYS 21 H CYS 21 33.983 2.203 6.750
170 HA CYS 21 HA CYS 21 33.923 1.372 4.061
171 HB2 CYS 21 1HB CYS 21 33.047 3.567 5.316
172 HB3 CYS 21 2HB CYS 21 34.537 4.230 4.649
173 HG CYS 21 HG CYS 21 33.683 3.790 2.273
174 H ILE 22 H ILE 22 36.507 2.880 5.971
175 HA ILE 22 HA ILE 22 38.310 3.347 3.853
176 HB ILE 22 HB ILE 22 39.021 2.557 6.687
177 HG12 ILE 22 1HG1 ILE 22 37.452 4.441 6.717
178 HG13 ILE 22 2HG1 ILE 22 39.067 4.992 7.144
179 HG21 ILE 22 1HG2 ILE 22 40.987 2.522 5.364
180 HG22 ILE 22 2HG2 ILE 22 40.992 4.107 6.135
181 HG23 ILE 22 3HG2 ILE 22 40.496 3.948 4.450
182 HD11 ILE 22 1HD1 ILE 22 38.039 6.571 5.587
183 HD12 ILE 22 2HD1 ILE 22 37.737 5.278 4.431
184 HD13 ILE 22 3HD1 ILE 22 39.391 5.767 4.794
185 H PHE 23 H PHE 23 37.722 0.430 5.800
186 HA PHE 23 HA PHE 23 39.771 -1.148 4.698
187 HB2 PHE 23 1HB PHE 23 37.061 -1.891 5.766
188 HB3 PHE 23 2HB PHE 23 38.198 -3.091 5.183
189 HD1 PHE 23 HD1 PHE 23 40.251 -3.582 6.407
190 HD2 PHE 23 HD2 PHE 23 37.477 -0.622 7.812
191 HE1 PHE 23 HE1 PHE 23 41.380 -3.572 8.616
192 HE2 PHE 23 HE2 PHE 23 38.601 -0.614 10.022
193 HZ PHE 23 HZ PHE 23 40.555 -2.089 10.423
194 H LEU 24 H LEU 24 36.533 -0.425 3.418
195 HA LEU 24 HA LEU 24 36.624 -2.141 1.203
196 HB2 LEU 24 1HB LEU 24 35.433 0.641 1.234
197 HB3 LEU 24 2HB LEU 24 35.032 -0.663 0.124
198 HG LEU 24 HG LEU 24 34.647 -0.790 3.129
199 HD11 LEU 24 1HD1 LEU 24 33.157 0.827 1.843
200 HD12 LEU 24 2HD1 LEU 24 32.313 -0.451 2.718
201 HD13 LEU 24 3HD1 LEU 24 32.536 -0.575 0.973
202 HD21 LEU 24 1HD2 LEU 24 34.041 -2.665 0.836
203 HD22 LEU 24 2HD2 LEU 24 33.186 -2.776 2.374
204 HD23 LEU 24 3HD2 LEU 24 34.933 -3.008 2.317
205 H ILE 25 H ILE 25 38.084 1.077 1.627
206 HA ILE 25 HA ILE 25 39.107 1.373 -0.969
207 HB ILE 25 HB ILE 25 40.545 2.178 1.565
208 HG12 ILE 25 1HG1 ILE 25 38.237 3.018 1.634
209 HG13 ILE 25 2HG1 ILE 25 39.357 4.339 1.327
210 HG21 ILE 25 1HG2 ILE 25 40.642 3.119 -1.305
211 HG22 ILE 25 2HG2 ILE 25 41.957 2.439 -0.346
212 HG23 ILE 25 3HG2 ILE 25 41.325 4.041 0.034
213 HD11 ILE 25 1HD1 ILE 25 38.845 4.185 -1.103
214 HD12 ILE 25 2HD1 ILE 25 37.407 4.527 -0.145
215 HD13 ILE 25 3HD1 ILE 25 37.686 2.900 -0.758
216 H ALA 26 H ALA 26 40.358 -0.537 1.748
217 HA ALA 26 HA ALA 26 42.768 -1.359 0.578
218 HB1 ALA 26 1HB ALA 26 42.862 -2.984 2.221
219 HB2 ALA 26 2HB ALA 26 41.136 -3.336 2.121
220 HB3 ALA 26 3HB ALA 26 41.693 -1.874 2.935
221 H ILE 27 H ILE 27 39.486 -2.674 0.195
222 HA ILE 27 HA ILE 27 40.145 -4.854 -1.458
223 HB ILE 27 HB ILE 27 37.659 -3.134 -1.609
224 HG12 ILE 27 1HG1 ILE 27 38.009 -3.903 0.684
225 HG13 ILE 27 2HG1 ILE 27 36.683 -4.796 -0.048
226 HG21 ILE 27 1HG2 ILE 27 36.671 -5.399 -2.303
227 HG22 ILE 27 2HG2 ILE 27 38.337 -5.917 -2.562
228 HG23 ILE 27 3HG2 ILE 27 37.677 -4.574 -3.493
229 HD11 ILE 27 1HD1 ILE 27 37.752 -6.665 0.635
230 HD12 ILE 27 2HD1 ILE 27 39.227 -5.775 0.997
231 HD13 ILE 27 3HD1 ILE 27 38.931 -6.359 -0.638
232 H LEU 28 H LEU 28 39.660 -1.428 -2.237
233 HA LEU 28 HA LEU 28 39.815 -1.644 -5.042
234 HB2 LEU 28 1HB LEU 28 39.235 0.448 -3.800
235 HB3 LEU 28 2HB LEU 28 40.940 0.620 -3.384
236 HG LEU 28 HG LEU 28 41.450 0.501 -5.867
237 HD11 LEU 28 1HD1 LEU 28 39.393 1.242 -7.258
238 HD12 LEU 28 2HD1 LEU 28 38.435 0.621 -5.914
239 HD13 LEU 28 3HD1 LEU 28 39.506 -0.459 -6.806
240 HD21 LEU 28 1HD2 LEU 28 39.862 2.723 -4.591
241 HD22 LEU 28 2HD2 LEU 28 40.455 2.879 -6.244
242 HD23 LEU 28 3HD2 LEU 28 41.594 2.653 -4.917
243 H ALA 29 H ALA 29 42.359 -1.598 -2.589
244 HA ALA 29 HA ALA 29 44.580 -1.434 -4.310
245 HB1 ALA 29 1HB ALA 29 44.440 -1.455 -1.696
246 HB2 ALA 29 2HB ALA 29 45.876 -2.094 -2.497
247 HB3 ALA 29 3HB ALA 29 44.642 -3.196 -1.885
248 H ALA 30 H ALA 30 42.638 -4.218 -3.296
249 HA ALA 30 HA ALA 30 44.173 -6.234 -4.529
250 HB1 ALA 30 1HB ALA 30 41.167 -6.322 -4.489
251 HB2 ALA 30 2HB ALA 30 42.093 -6.440 -2.993
252 HB3 ALA 30 3HB ALA 30 42.317 -7.639 -4.266
253 H SER 31 H SER 31 41.610 -4.150 -5.837
254 HA SER 31 HA SER 31 41.522 -5.214 -8.431
255 HB2 SER 31 1HB SER 31 39.966 -3.473 -7.520
256 HB3 SER 31 2HB SER 31 41.256 -2.290 -7.711
257 HG SER 31 HG SER 31 40.563 -2.157 -9.693
258 H ALA 32 H ALA 32 43.772 -2.873 -7.000
259 HA ALA 32 HA ALA 32 45.171 -2.194 -9.337
260 HB1 ALA 32 1HB ALA 32 46.851 -1.348 -7.935
261 HB2 ALA 32 2HB ALA 32 46.543 -2.553 -6.685
262 HB3 ALA 32 3HB ALA 32 45.397 -1.237 -6.943
263 H LEU 33 H LEU 33 45.496 -4.981 -7.165
264 HA LEU 33 HA LEU 33 47.869 -6.041 -8.252
265 HB2 LEU 33 1HB LEU 33 46.322 -6.776 -6.209
266 HB3 LEU 33 2HB LEU 33 45.668 -7.884 -7.405
267 HG LEU 33 HG LEU 33 47.429 -9.002 -6.182
268 HD11 LEU 33 1HD1 LEU 33 47.262 -9.235 -8.749
269 HD12 LEU 33 2HD1 LEU 33 48.730 -9.819 -7.963
270 HD13 LEU 33 3HD1 LEU 33 48.733 -8.263 -8.795
271 HD21 LEU 33 1HD2 LEU 33 49.479 -7.031 -7.139
272 HD22 LEU 33 2HD2 LEU 33 49.544 -8.131 -5.761
273 HD23 LEU 33 3HD2 LEU 33 48.548 -6.678 -5.683
274 H TRP 34 H TRP 34 44.478 -6.407 -9.274
275 HA TRP 34 HA TRP 34 44.950 -8.181 -11.420
276 HB2 TRP 34 1HB TRP 34 42.896 -5.986 -11.181
277 HB3 TRP 34 2HB TRP 34 42.918 -7.179 -12.462
278 HD1 TRP 34 HD1 TRP 34 40.946 -6.576 -9.691
279 HE1 TRP 34 HE1 TRP 34 40.128 -8.703 -8.491
280 HE3 TRP 34 HE3 TRP 34 44.245 -9.985 -11.589
281 HZ2 TRP 34 HZ2 TRP 34 40.785 -11.487 -8.353
282 HZ3 TRP 34 HZ3 TRP 34 44.126 -12.359 -10.908
283 HH2 TRP 34 HH2 TRP 34 42.404 -13.118 -9.295
284 H ALA 35 H ALA 35 45.369 -4.687 -11.191
285 HA ALA 35 HA ALA 35 46.021 -4.176 -13.882
286 HB1 ALA 35 1HB ALA 35 46.825 -2.130 -13.161
287 HB2 ALA 35 2HB ALA 35 47.505 -2.800 -11.678
288 HB3 ALA 35 3HB ALA 35 45.764 -2.565 -11.821
289 H ALA 36 H ALA 36 47.995 -5.403 -11.218
290 HA ALA 36 HA ALA 36 50.478 -5.440 -12.521
291 HB1 ALA 36 1HB ALA 36 49.698 -7.691 -10.710
292 HB2 ALA 36 2HB ALA 36 49.787 -6.054 -10.059
293 HB3 ALA 36 3HB ALA 36 51.213 -6.791 -10.791
294 H ALA 37 H ALA 37 47.821 -7.796 -12.608
295 HA ALA 37 HA ALA 37 49.117 -9.770 -14.126
296 HB1 ALA 37 1HB ALA 37 46.953 -10.165 -13.082
297 HB2 ALA 37 2HB ALA 37 46.847 -10.470 -14.815
298 HB3 ALA 37 3HB ALA 37 46.198 -8.975 -14.142
299 H TRP 38 H TRP 38 47.336 -6.886 -15.188
300 HA TRP 38 HA TRP 38 47.532 -7.269 -17.941
301 HB2 TRP 38 1HB TRP 38 47.411 -4.794 -16.263
302 HB3 TRP 38 2HB TRP 38 47.596 -4.689 -18.001
303 HD1 TRP 38 HD1 TRP 38 45.026 -4.596 -15.501
304 HE1 TRP 38 HE1 TRP 38 42.717 -5.208 -16.465
305 HE3 TRP 38 HE3 TRP 38 46.450 -6.707 -19.928
306 HZ2 TRP 38 HZ2 TRP 38 41.614 -6.434 -18.807
307 HZ3 TRP 38 HZ3 TRP 38 44.754 -7.587 -21.502
308 HH2 TRP 38 HH2 TRP 38 42.342 -7.454 -20.950
309 H HIS 39 H HIS 39 50.085 -6.500 -15.724
310 HA HIS 39 HA HIS 39 51.715 -4.889 -17.315
311 HB2 HIS 39 1HB HIS 39 51.867 -5.821 -14.801
312 HB3 HIS 39 2HB HIS 39 53.050 -6.872 -15.554
313 HD1 HIS 39 HD1 HIS 39 52.516 -3.473 -14.272
314 HD2 HIS 39 HD2 HIS 39 55.297 -5.373 -16.728
315 HE1 HIS 39 HE1 HIS 39 54.518 -1.933 -14.409
316 H GLY 40 H GLY 40 53.317 -5.254 -18.789
317 HA2 GLY 40 1HA GLY 40 53.223 -7.489 -20.485
318 HA3 GLY 40 2HA GLY 40 54.548 -6.330 -20.408
319 H GLN 41 H GLN 41 54.493 -9.342 -20.654
320 HA GLN 41 HA GLN 41 55.357 -10.580 -18.300
321 HB2 GLN 41 1HB GLN 41 56.123 -11.138 -21.171
322 HB3 GLN 41 2HB GLN 41 56.475 -12.213 -19.819
323 HG2 GLN 41 1HG GLN 41 54.090 -12.432 -19.328
324 HG3 GLN 41 2HG GLN 41 53.699 -11.288 -20.610
325 HE21 GLN 41 1HE2 GLN 41 52.665 -13.962 -20.615
326 HE22 GLN 41 2HE2 GLN 41 53.350 -14.793 -21.927
327 H LYS 42 H LYS 42 57.120 -8.458 -20.489
328 HA LYS 42 HA LYS 42 59.736 -9.117 -19.811
329 HB2 LYS 42 1HB LYS 42 58.620 -6.368 -20.412
330 HB3 LYS 42 2HB LYS 42 60.320 -6.829 -20.499
331 HG2 LYS 42 1HG LYS 42 59.628 -8.621 -22.168
332 HG3 LYS 42 2HG LYS 42 58.044 -7.846 -22.215
333 HD2 LYS 42 1HD LYS 42 60.588 -6.292 -22.696
334 HD3 LYS 42 2HD LYS 42 59.737 -7.112 -24.005
335 HE2 LYS 42 1HE LYS 42 58.274 -5.241 -22.149
336 HE3 LYS 42 2HE LYS 42 59.147 -4.628 -23.553
337 HZ1 LYS 42 1HZ LYS 42 57.563 -5.347 -24.907
338 HZ2 LYS 42 2HZ LYS 42 56.608 -5.647 -23.534
339 HZ3 LYS 42 3HZ LYS 42 57.547 -6.893 -24.207
340 HA PRO 43 HA PRO 43 59.993 -7.718 -15.509
341 HB2 PRO 43 1HB PRO 43 62.775 -6.876 -16.108
342 HB3 PRO 43 2HB PRO 43 62.171 -7.995 -14.872
343 HG2 PRO 43 1HG PRO 43 63.471 -8.860 -17.029
344 HG3 PRO 43 2HG PRO 43 62.135 -9.779 -16.307
345 HD2 PRO 43 1HD PRO 43 62.130 -8.087 -18.783
346 HD3 PRO 43 2HD PRO 43 61.286 -9.620 -18.461
347 H GLY 44 H GLY 44 60.871 -5.730 -18.240
348 HA2 GLY 44 1HA GLY 44 61.447 -3.295 -16.996
349 HA3 GLY 44 2HA GLY 44 60.811 -3.471 -18.627
350 H THR 45 H THR 45 60.251 -1.559 -16.356
351 HA THR 45 HA THR 45 57.637 -1.857 -15.404
352 HB THR 45 HB THR 45 57.631 0.585 -15.165
353 HG1 THR 45 HG1 THR 45 60.129 0.618 -16.457
354 HG21 THR 45 1HG2 THR 45 59.097 -1.033 -13.744
355 HG22 THR 45 2HG2 THR 45 59.393 0.701 -13.622
356 HG23 THR 45 3HG2 THR 45 60.451 -0.306 -14.611
357 H HIS 46 H HIS 46 55.632 -1.184 -16.183
358 HA HIS 46 HA HIS 46 55.199 0.105 -18.656
359 HB2 HIS 46 1HB HIS 46 56.133 -2.286 -19.244
360 HB3 HIS 46 2HB HIS 46 54.495 -2.790 -18.875
361 HD1 HIS 46 HD1 HIS 46 52.657 -2.184 -20.561
362 HD2 HIS 46 HD2 HIS 46 56.390 -0.632 -21.576
363 HE1 HIS 46 HE1 HIS 46 52.452 -1.320 -22.931
Start of MODEL 4
1 H ARG 1 3H ARG 1 35.171 25.918 19.058
2 HA ARG 1 HA ARG 1 33.001 27.047 19.427
3 HB2 ARG 1 1HB ARG 1 34.287 27.123 17.272
4 HB3 ARG 1 2HB ARG 1 33.346 25.740 16.712
5 HG2 ARG 1 1HG ARG 1 31.262 27.046 17.040
6 HG3 ARG 1 2HG ARG 1 32.228 28.437 17.534
7 HD2 ARG 1 1HD ARG 1 33.390 28.354 15.323
8 HD3 ARG 1 2HD ARG 1 32.300 27.059 14.836
9 HE ARG 1 HE ARG 1 30.685 28.657 14.455
10 HH11 ARG 1 1HH1 ARG 1 33.068 30.054 16.622
11 HH12 ARG 1 2HH1 ARG 1 32.324 31.618 16.593
12 HH21 ARG 1 1HH2 ARG 1 29.773 30.693 14.456
13 HH22 ARG 1 2HH2 ARG 1 30.482 31.974 15.381
14 H SER 2 H SER 2 32.606 24.027 17.554
15 HA SER 2 HA SER 2 29.837 23.800 17.852
16 HB2 SER 2 1HB SER 2 31.219 22.488 16.255
17 HB3 SER 2 2HB SER 2 31.828 21.538 17.607
18 HG SER 2 HG SER 2 30.063 20.415 17.452
19 H LEU 3 H LEU 3 32.374 23.037 20.135
20 HA LEU 3 HA LEU 3 31.098 21.147 21.745
21 HB2 LEU 3 1HB LEU 3 33.492 21.958 21.855
22 HB3 LEU 3 2HB LEU 3 32.898 23.339 22.769
23 HG LEU 3 HG LEU 3 31.995 20.651 23.716
24 HD11 LEU 3 1HD1 LEU 3 34.027 20.051 24.770
25 HD12 LEU 3 2HD1 LEU 3 34.766 21.615 24.424
26 HD13 LEU 3 3HD1 LEU 3 34.488 20.463 23.118
27 HD21 LEU 3 1HD2 LEU 3 31.942 21.691 25.805
28 HD22 LEU 3 2HD2 LEU 3 31.605 23.053 24.741
29 HD23 LEU 3 3HD2 LEU 3 33.224 22.826 25.392
30 H LEU 4 H LEU 4 30.420 24.549 21.432
31 HA LEU 4 HA LEU 4 29.364 25.118 23.965
32 HB2 LEU 4 1HB LEU 4 29.852 26.793 22.189
33 HB3 LEU 4 2HB LEU 4 28.434 26.226 21.309
34 HG LEU 4 HG LEU 4 27.056 26.743 23.363
35 HD11 LEU 4 1HD1 LEU 4 28.612 26.788 25.135
36 HD12 LEU 4 2HD1 LEU 4 28.253 28.494 24.866
37 HD13 LEU 4 3HD1 LEU 4 29.744 27.796 24.233
38 HD21 LEU 4 1HD2 LEU 4 28.604 28.979 22.022
39 HD22 LEU 4 2HD2 LEU 4 27.159 29.231 23.001
40 HD23 LEU 4 3HD2 LEU 4 27.059 28.303 21.505
41 H GLU 5 H GLU 5 28.015 23.253 21.341
42 HA GLU 5 HA GLU 5 25.269 23.528 22.074
43 HB2 GLU 5 1HB GLU 5 26.086 22.810 19.827
44 HB3 GLU 5 2HB GLU 5 26.562 21.268 20.539
45 HG2 GLU 5 1HG GLU 5 24.213 20.920 21.283
46 HG3 GLU 5 2HG GLU 5 23.759 22.418 20.484
47 H GLY 6 H GLY 6 27.833 21.441 23.239
48 HA2 GLY 6 1HA GLY 6 27.885 20.179 25.165
49 HA3 GLY 6 2HA GLY 6 26.252 20.721 25.507
50 H GLU 7 H GLU 7 25.904 19.442 22.506
51 HA GLU 7 HA GLU 7 24.441 17.220 23.371
52 HB2 GLU 7 1HB GLU 7 24.246 18.324 21.130
53 HB3 GLU 7 2HB GLU 7 25.761 17.545 20.667
54 HG2 GLU 7 1HG GLU 7 24.741 15.332 21.177
55 HG3 GLU 7 2HG GLU 7 23.221 16.138 21.534
56 H ILE 8 H ILE 8 24.883 15.039 23.525
57 HA ILE 8 HA ILE 8 27.401 14.285 24.442
58 HB ILE 8 HB ILE 8 25.226 12.513 23.297
59 HG12 ILE 8 1HG1 ILE 8 25.779 13.303 26.173
60 HG13 ILE 8 2HG1 ILE 8 24.541 14.058 25.169
61 HG21 ILE 8 1HG2 ILE 8 27.401 11.358 23.535
62 HG22 ILE 8 2HG2 ILE 8 26.230 10.765 24.713
63 HG23 ILE 8 3HG2 ILE 8 27.494 11.887 25.214
64 HD11 ILE 8 1HD1 ILE 8 24.692 11.108 25.851
65 HD12 ILE 8 2HD1 ILE 8 23.456 11.867 24.847
66 HD13 ILE 8 3HD1 ILE 8 23.571 12.268 26.561
67 HA PRO 9 HA PRO 9 29.682 13.609 20.594
68 HB2 PRO 9 1HB PRO 9 30.956 11.291 21.952
69 HB3 PRO 9 2HB PRO 9 31.704 12.704 21.183
70 HG2 PRO 9 1HG PRO 9 31.638 12.436 23.826
71 HG3 PRO 9 2HG PRO 9 31.463 14.020 23.045
72 HD2 PRO 9 1HD PRO 9 29.351 12.292 24.281
73 HD3 PRO 9 2HD PRO 9 29.502 14.063 24.282
74 H PHE 10 H PHE 10 29.438 12.298 18.780
75 HA PHE 10 HA PHE 10 27.347 10.461 18.618
76 HB2 PHE 10 1HB PHE 10 29.791 10.842 16.898
77 HB3 PHE 10 2HB PHE 10 28.523 9.700 16.496
78 HD1 PHE 10 HD1 PHE 10 29.435 13.248 16.772
79 HD2 PHE 10 HD2 PHE 10 26.312 10.470 15.781
80 HE1 PHE 10 HE1 PHE 10 28.151 15.076 15.695
81 HE2 PHE 10 HE2 PHE 10 25.028 12.299 14.704
82 HZ PHE 10 HZ PHE 10 25.947 14.601 14.662
83 HA PRO 11 HA PRO 11 28.841 6.881 20.641
84 HB2 PRO 11 1HB PRO 11 27.874 5.167 18.404
85 HB3 PRO 11 2HB PRO 11 27.472 5.108 20.129
86 HG2 PRO 11 1HG PRO 11 25.763 6.055 18.319
87 HG3 PRO 11 2HG PRO 11 25.872 6.730 19.955
88 HD2 PRO 11 1HD PRO 11 26.878 7.869 17.384
89 HD3 PRO 11 2HD PRO 11 26.245 8.699 18.823
90 HA PRO 12 HA PRO 12 32.813 6.041 18.651
91 HB2 PRO 12 1HB PRO 12 32.911 3.526 20.230
92 HB3 PRO 12 2HB PRO 12 34.063 4.875 20.176
93 HG2 PRO 12 1HG PRO 12 32.476 4.466 22.277
94 HG3 PRO 12 2HG PRO 12 32.918 6.097 21.736
95 HD2 PRO 12 1HD PRO 12 30.335 4.627 21.357
96 HD3 PRO 12 2HD PRO 12 30.617 6.358 21.651
97 H THR 13 H THR 13 30.338 3.516 18.956
98 HA THR 13 HA THR 13 31.306 1.751 16.988
99 HB THR 13 HB THR 13 29.000 0.940 16.833
100 HG1 THR 13 HG1 THR 13 27.407 2.213 17.282
101 HG21 THR 13 1HG2 THR 13 28.628 0.528 19.276
102 HG22 THR 13 2HG2 THR 13 29.895 1.704 19.625
103 HG23 THR 13 3HG2 THR 13 30.286 0.217 18.760
104 H SER 14 H SER 14 29.492 4.775 16.698
105 HA SER 14 HA SER 14 28.703 4.442 13.998
106 HB2 SER 14 1HB SER 14 29.260 7.031 15.462
107 HB3 SER 14 2HB SER 14 28.287 6.834 14.009
108 HG SER 14 HG SER 14 26.690 6.312 15.262
109 H ILE 15 H ILE 15 31.450 6.242 15.424
110 HA ILE 15 HA ILE 15 32.616 6.914 12.937
111 HB ILE 15 HB ILE 15 34.696 7.316 14.177
112 HG12 ILE 15 1HG1 ILE 15 33.228 6.279 16.609
113 HG13 ILE 15 2HG1 ILE 15 34.390 5.299 15.710
114 HG21 ILE 15 1HG2 ILE 15 32.162 8.210 15.583
115 HG22 ILE 15 2HG2 ILE 15 32.940 9.015 14.220
116 HG23 ILE 15 3HG2 ILE 15 33.746 8.959 15.789
117 HD11 ILE 15 1HD1 ILE 15 35.483 6.414 17.615
118 HD12 ILE 15 2HD1 ILE 15 34.963 7.984 17.001
119 HD13 ILE 15 3HD1 ILE 15 36.124 7.020 16.088
120 H LEU 16 H LEU 16 32.817 3.953 14.855
121 HA LEU 16 HA LEU 16 34.921 2.710 13.462
122 HB2 LEU 16 1HB LEU 16 33.782 1.887 15.553
123 HB3 LEU 16 2HB LEU 16 32.451 1.337 14.539
124 HG LEU 16 HG LEU 16 35.227 0.506 13.770
125 HD11 LEU 16 1HD1 LEU 16 34.945 0.150 16.284
126 HD12 LEU 16 2HD1 LEU 16 35.303 -1.294 15.336
127 HD13 LEU 16 3HD1 LEU 16 33.655 -0.983 15.882
128 HD21 LEU 16 1HD2 LEU 16 33.751 -1.665 13.411
129 HD22 LEU 16 2HD2 LEU 16 33.645 -0.328 12.271
130 HD23 LEU 16 3HD2 LEU 16 32.415 -0.519 13.517
131 H LEU 17 H LEU 17 31.463 3.003 12.683
132 HA LEU 17 HA LEU 17 31.440 1.338 10.418
133 HB2 LEU 17 1HB LEU 17 29.421 2.363 11.462
134 HB3 LEU 17 2HB LEU 17 29.895 3.916 10.773
135 HG LEU 17 HG LEU 17 29.901 2.785 8.500
136 HD11 LEU 17 1HD1 LEU 17 28.788 0.581 10.230
137 HD12 LEU 17 2HD1 LEU 17 30.033 0.482 8.985
138 HD13 LEU 17 3HD1 LEU 17 28.343 0.701 8.528
139 HD21 LEU 17 1HD2 LEU 17 27.981 4.152 9.602
140 HD22 LEU 17 2HD2 LEU 17 27.191 2.588 9.811
141 HD23 LEU 17 3HD2 LEU 17 27.592 3.164 8.193
142 H LEU 18 H LEU 18 32.425 4.730 10.777
143 HA LEU 18 HA LEU 18 32.913 5.252 8.045
144 HB2 LEU 18 1HB LEU 18 34.468 6.340 10.403
145 HB3 LEU 18 2HB LEU 18 34.400 7.030 8.786
146 HG LEU 18 HG LEU 18 31.989 6.652 10.584
147 HD11 LEU 18 1HD1 LEU 18 33.434 8.359 11.524
148 HD12 LEU 18 2HD1 LEU 18 32.083 9.161 10.724
149 HD13 LEU 18 3HD1 LEU 18 33.661 9.098 9.939
150 HD21 LEU 18 1HD2 LEU 18 32.430 7.900 7.862
151 HD22 LEU 18 2HD2 LEU 18 31.029 8.295 8.857
152 HD23 LEU 18 3HD2 LEU 18 31.279 6.639 8.304
153 H LEU 19 H LEU 19 34.923 3.665 10.494
154 HA LEU 19 HA LEU 19 37.244 3.367 8.933
155 HB2 LEU 19 1HB LEU 19 36.203 1.370 10.951
156 HB3 LEU 19 2HB LEU 19 37.859 1.533 10.383
157 HG LEU 19 HG LEU 19 36.332 3.699 11.853
158 HD11 LEU 19 1HD1 LEU 19 38.682 2.150 12.923
159 HD12 LEU 19 2HD1 LEU 19 37.044 1.522 13.105
160 HD13 LEU 19 3HD1 LEU 19 37.475 3.080 13.810
161 HD21 LEU 19 1HD2 LEU 19 39.099 3.461 10.689
162 HD22 LEU 19 2HD2 LEU 19 38.819 4.497 12.088
163 HD23 LEU 19 3HD2 LEU 19 37.964 4.805 10.576
164 H ALA 20 H ALA 20 34.255 1.494 8.987
165 HA ALA 20 HA ALA 20 35.061 -0.608 7.298
166 HB1 ALA 20 1HB ALA 20 32.861 -0.327 8.605
167 HB2 ALA 20 2HB ALA 20 32.774 -1.086 7.016
168 HB3 ALA 20 3HB ALA 20 32.307 0.602 7.212
169 H CYS 21 H CYS 21 33.919 2.656 6.556
170 HA CYS 21 HA CYS 21 33.523 2.267 3.786
171 HB2 CYS 21 1HB CYS 21 34.277 4.772 5.309
172 HB3 CYS 21 2HB CYS 21 33.747 4.742 3.628
173 HG CYS 21 HG CYS 21 31.571 5.092 4.941
174 H ILE 22 H ILE 22 36.354 3.483 5.585
175 HA ILE 22 HA ILE 22 37.957 3.842 3.279
176 HB ILE 22 HB ILE 22 38.496 4.835 5.479
177 HG12 ILE 22 1HG1 ILE 22 41.046 4.073 5.296
178 HG13 ILE 22 2HG1 ILE 22 40.464 3.308 3.821
179 HG21 ILE 22 1HG2 ILE 22 39.100 1.971 6.187
180 HG22 ILE 22 2HG2 ILE 22 38.204 3.188 7.090
181 HG23 ILE 22 3HG2 ILE 22 39.953 3.299 6.966
182 HD11 ILE 22 1HD1 ILE 22 39.328 5.791 3.588
183 HD12 ILE 22 2HD1 ILE 22 40.888 5.346 2.902
184 HD13 ILE 22 3HD1 ILE 22 40.814 6.173 4.456
185 H PHE 23 H PHE 23 37.329 0.961 5.236
186 HA PHE 23 HA PHE 23 39.278 -0.705 4.110
187 HB2 PHE 23 1HB PHE 23 37.799 -1.320 6.005
188 HB3 PHE 23 2HB PHE 23 36.465 -1.481 4.879
189 HD1 PHE 23 HD1 PHE 23 39.706 -2.899 5.953
190 HD2 PHE 23 HD2 PHE 23 36.251 -3.412 3.454
191 HE1 PHE 23 HE1 PHE 23 40.363 -5.252 5.527
192 HE2 PHE 23 HE2 PHE 23 36.906 -5.765 3.028
193 HZ PHE 23 HZ PHE 23 38.963 -6.686 4.064
194 H LEU 24 H LEU 24 36.069 0.201 2.851
195 HA LEU 24 HA LEU 24 36.060 -1.471 0.606
196 HB2 LEU 24 1HB LEU 24 34.999 1.359 0.795
197 HB3 LEU 24 2HB LEU 24 34.532 0.156 -0.408
198 HG LEU 24 HG LEU 24 34.176 -0.179 2.586
199 HD11 LEU 24 1HD1 LEU 24 32.719 1.591 1.640
200 HD12 LEU 24 2HD1 LEU 24 31.784 0.177 2.128
201 HD13 LEU 24 3HD1 LEU 24 32.142 0.453 0.423
202 HD21 LEU 24 1HD2 LEU 24 33.534 -1.850 0.161
203 HD22 LEU 24 2HD2 LEU 24 32.562 -1.999 1.625
204 HD23 LEU 24 3HD2 LEU 24 34.290 -2.346 1.675
205 H ILE 25 H ILE 25 37.560 1.736 1.026
206 HA ILE 25 HA ILE 25 38.639 1.939 -1.562
207 HB ILE 25 HB ILE 25 39.856 2.939 1.026
208 HG12 ILE 25 1HG1 ILE 25 38.089 4.359 -0.987
209 HG13 ILE 25 2HG1 ILE 25 37.476 3.640 0.500
210 HG21 ILE 25 1HG2 ILE 25 40.242 3.880 -1.833
211 HG22 ILE 25 2HG2 ILE 25 41.411 2.910 -0.937
212 HG23 ILE 25 3HG2 ILE 25 41.022 4.543 -0.396
213 HD11 ILE 25 1HD1 ILE 25 38.286 6.221 0.314
214 HD12 ILE 25 2HD1 ILE 25 39.795 5.473 0.833
215 HD13 ILE 25 3HD1 ILE 25 38.338 5.293 1.810
216 H ALA 26 H ALA 26 39.792 0.108 1.244
217 HA ALA 26 HA ALA 26 42.265 -0.702 0.214
218 HB1 ALA 26 1HB ALA 26 41.080 -1.174 2.526
219 HB2 ALA 26 2HB ALA 26 42.299 -2.283 1.899
220 HB3 ALA 26 3HB ALA 26 40.586 -2.663 1.722
221 H ILE 27 H ILE 27 39.018 -2.055 -0.317
222 HA ILE 27 HA ILE 27 39.786 -4.276 -1.863
223 HB ILE 27 HB ILE 27 37.301 -2.583 -2.210
224 HG12 ILE 27 1HG1 ILE 27 37.524 -3.276 0.123
225 HG13 ILE 27 2HG1 ILE 27 36.246 -4.201 -0.655
226 HG21 ILE 27 1HG2 ILE 27 37.586 -4.133 -4.046
227 HG22 ILE 27 2HG2 ILE 27 36.331 -4.764 -2.980
228 HG23 ILE 27 3HG2 ILE 27 37.955 -5.451 -2.933
229 HD11 ILE 27 1HD1 ILE 27 38.538 -5.762 -1.062
230 HD12 ILE 27 2HD1 ILE 27 37.282 -6.043 0.141
231 HD13 ILE 27 3HD1 ILE 27 38.726 -5.131 0.572
232 H LEU 28 H LEU 28 39.280 -0.879 -2.775
233 HA LEU 28 HA LEU 28 39.668 -1.176 -5.552
234 HB2 LEU 28 1HB LEU 28 38.948 0.938 -4.420
235 HB3 LEU 28 2HB LEU 28 40.611 1.160 -3.879
236 HG LEU 28 HG LEU 28 41.309 0.974 -6.317
237 HD11 LEU 28 1HD1 LEU 28 38.302 1.114 -6.602
238 HD12 LEU 28 2HD1 LEU 28 39.410 -0.052 -7.324
239 HD13 LEU 28 3HD1 LEU 28 39.388 1.616 -7.898
240 HD21 LEU 28 1HD2 LEU 28 39.544 3.223 -5.318
241 HD22 LEU 28 2HD2 LEU 28 40.435 3.324 -6.837
242 HD23 LEU 28 3HD2 LEU 28 41.306 3.147 -5.314
243 H ALA 29 H ALA 29 42.000 -0.973 -2.905
244 HA ALA 29 HA ALA 29 44.351 -0.830 -4.449
245 HB1 ALA 29 1HB ALA 29 44.059 -0.670 -1.886
246 HB2 ALA 29 2HB ALA 29 45.513 -1.453 -2.503
247 HB3 ALA 29 3HB ALA 29 44.172 -2.430 -1.905
248 H ALA 30 H ALA 30 42.402 -3.610 -3.440
249 HA ALA 30 HA ALA 30 44.083 -5.643 -4.424
250 HB1 ALA 30 1HB ALA 30 42.079 -7.047 -4.475
251 HB2 ALA 30 2HB ALA 30 41.056 -5.616 -4.344
252 HB3 ALA 30 3HB ALA 30 42.108 -6.074 -3.004
253 H SER 31 H SER 31 41.581 -3.715 -6.048
254 HA SER 31 HA SER 31 41.660 -4.980 -8.548
255 HB2 SER 31 1HB SER 31 41.280 -2.026 -8.017
256 HB3 SER 31 2HB SER 31 40.783 -2.901 -9.461
257 HG SER 31 HG SER 31 39.197 -3.839 -8.355
258 H ALA 32 H ALA 32 43.764 -2.448 -7.204
259 HA ALA 32 HA ALA 32 45.274 -1.956 -9.525
260 HB1 ALA 32 1HB ALA 32 47.008 -1.116 -8.014
261 HB2 ALA 32 2HB ALA 32 46.217 -1.903 -6.648
262 HB3 ALA 32 3HB ALA 32 45.416 -0.573 -7.483
263 H LEU 33 H LEU 33 45.633 -4.416 -6.991
264 HA LEU 33 HA LEU 33 48.084 -5.492 -7.867
265 HB2 LEU 33 1HB LEU 33 46.973 -6.040 -5.704
266 HB3 LEU 33 2HB LEU 33 45.793 -7.003 -6.593
267 HG LEU 33 HG LEU 33 47.744 -8.309 -7.558
268 HD11 LEU 33 1HD1 LEU 33 49.801 -8.142 -5.960
269 HD12 LEU 33 2HD1 LEU 33 49.166 -6.541 -5.578
270 HD13 LEU 33 3HD1 LEU 33 49.623 -6.935 -7.235
271 HD21 LEU 33 1HD2 LEU 33 47.488 -8.354 -4.535
272 HD22 LEU 33 2HD2 LEU 33 47.994 -9.693 -5.565
273 HD23 LEU 33 3HD2 LEU 33 46.335 -9.098 -5.642
274 H TRP 34 H TRP 34 44.747 -6.180 -8.884
275 HA TRP 34 HA TRP 34 45.341 -8.270 -10.680
276 HB2 TRP 34 1HB TRP 34 43.169 -6.194 -10.668
277 HB3 TRP 34 2HB TRP 34 43.288 -7.400 -11.932
278 HD1 TRP 34 HD1 TRP 34 42.133 -6.864 -8.414
279 HE1 TRP 34 HE1 TRP 34 41.103 -9.038 -7.494
280 HE3 TRP 34 HE3 TRP 34 43.545 -10.127 -12.079
281 HZ2 TRP 34 HZ2 TRP 34 40.901 -11.802 -8.218
282 HZ3 TRP 34 HZ3 TRP 34 42.922 -12.518 -11.941
283 HH2 TRP 34 HH2 TRP 34 41.604 -13.361 -10.019
284 H ALA 35 H ALA 35 45.646 -4.775 -11.038
285 HA ALA 35 HA ALA 35 46.141 -4.689 -13.806
286 HB1 ALA 35 1HB ALA 35 45.875 -2.756 -12.083
287 HB2 ALA 35 2HB ALA 35 46.946 -2.524 -13.465
288 HB3 ALA 35 3HB ALA 35 47.620 -2.917 -11.883
289 H ALA 36 H ALA 36 48.336 -5.233 -11.079
290 HA ALA 36 HA ALA 36 50.713 -5.527 -12.571
291 HB1 ALA 36 1HB ALA 36 50.592 -5.343 -10.087
292 HB2 ALA 36 2HB ALA 36 51.601 -6.682 -10.637
293 HB3 ALA 36 3HB ALA 36 49.974 -6.993 -10.030
294 H ALA 37 H ALA 37 48.186 -7.865 -11.755
295 HA ALA 37 HA ALA 37 49.413 -10.182 -12.723
296 HB1 ALA 37 1HB ALA 37 47.177 -9.859 -11.443
297 HB2 ALA 37 2HB ALA 37 47.314 -11.189 -12.593
298 HB3 ALA 37 3HB ALA 37 46.467 -9.712 -13.050
299 H TRP 38 H TRP 38 47.735 -7.630 -14.476
300 HA TRP 38 HA TRP 38 47.239 -8.910 -16.877
301 HB2 TRP 38 1HB TRP 38 46.478 -6.646 -16.324
302 HB3 TRP 38 2HB TRP 38 48.121 -6.055 -16.470
303 HD1 TRP 38 HD1 TRP 38 48.956 -5.409 -18.816
304 HE1 TRP 38 HE1 TRP 38 47.910 -5.428 -21.170
305 HE3 TRP 38 HE3 TRP 38 44.709 -8.085 -17.872
306 HZ2 TRP 38 HZ2 TRP 38 45.576 -6.444 -22.483
307 HZ3 TRP 38 HZ3 TRP 38 43.096 -8.562 -19.687
308 HH2 TRP 38 HH2 TRP 38 43.521 -7.747 -21.989
309 H HIS 39 H HIS 39 50.346 -7.802 -15.647
310 HA HIS 39 HA HIS 39 51.780 -7.694 -18.059
311 HB2 HIS 39 1HB HIS 39 52.749 -8.598 -15.345
312 HB3 HIS 39 2HB HIS 39 53.771 -8.120 -16.687
313 HD1 HIS 39 HD1 HIS 39 52.987 -5.511 -17.583
314 HD2 HIS 39 HD2 HIS 39 52.462 -6.531 -13.575
315 HE1 HIS 39 HE1 HIS 39 52.806 -3.333 -16.308
316 H GLY 40 H GLY 40 52.734 -9.230 -19.351
317 HA2 GLY 40 1HA GLY 40 51.968 -11.940 -19.270
318 HA3 GLY 40 2HA GLY 40 53.338 -11.299 -20.167
319 H GLN 41 H GLN 41 54.662 -10.244 -17.784
320 HA GLN 41 HA GLN 41 56.332 -12.392 -17.150
321 HB2 GLN 41 1HB GLN 41 55.853 -9.800 -15.668
322 HB3 GLN 41 2HB GLN 41 57.184 -10.910 -15.336
323 HG2 GLN 41 1HG GLN 41 58.011 -10.656 -17.622
324 HG3 GLN 41 2HG GLN 41 56.647 -9.616 -18.024
325 HE21 GLN 41 1HE2 GLN 41 59.358 -8.712 -18.273
326 HE22 GLN 41 2HE2 GLN 41 59.614 -7.485 -17.128
327 H LYS 42 H LYS 42 56.515 -13.756 -15.411
328 HA LYS 42 HA LYS 42 54.271 -14.649 -14.020
329 HB2 LYS 42 1HB LYS 42 57.187 -14.812 -13.214
330 HB3 LYS 42 2HB LYS 42 55.885 -15.768 -12.505
331 HG2 LYS 42 1HG LYS 42 55.541 -16.999 -14.467
332 HG3 LYS 42 2HG LYS 42 56.304 -15.776 -15.484
333 HD2 LYS 42 1HD LYS 42 57.888 -17.242 -13.380
334 HD3 LYS 42 2HD LYS 42 57.646 -17.938 -14.983
335 HE2 LYS 42 1HE LYS 42 58.578 -15.866 -15.995
336 HE3 LYS 42 2HE LYS 42 58.889 -15.240 -14.377
337 HZ1 LYS 42 1HZ LYS 42 60.284 -17.198 -13.963
338 HZ2 LYS 42 2HZ LYS 42 60.866 -16.256 -15.251
339 HZ3 LYS 42 3HZ LYS 42 60.039 -17.707 -15.563
340 HA PRO 43 HA PRO 43 53.452 -11.510 -11.066
341 HB2 PRO 43 1HB PRO 43 52.858 -12.971 -8.771
342 HB3 PRO 43 2HB PRO 43 51.727 -12.636 -10.094
343 HG2 PRO 43 1HG PRO 43 53.325 -15.079 -9.551
344 HG3 PRO 43 2HG PRO 43 51.671 -14.921 -10.169
345 HD2 PRO 43 1HD PRO 43 53.731 -15.503 -11.813
346 HD3 PRO 43 2HD PRO 43 52.372 -14.488 -12.347
347 H GLY 44 H GLY 44 55.849 -13.931 -10.256
348 HA2 GLY 44 1HA GLY 44 56.861 -12.911 -7.860
349 HA3 GLY 44 2HA GLY 44 57.798 -13.818 -9.038
350 H THR 45 H THR 45 57.338 -11.769 -11.148
351 HA THR 45 HA THR 45 59.629 -10.208 -10.819
352 HB THR 45 HB THR 45 57.228 -9.540 -12.535
353 HG1 THR 45 HG1 THR 45 59.512 -10.947 -13.366
354 HG21 THR 45 1HG2 THR 45 59.239 -8.683 -13.980
355 HG22 THR 45 2HG2 THR 45 60.102 -8.670 -12.441
356 HG23 THR 45 3HG2 THR 45 58.651 -7.689 -12.647
357 H HIS 46 H HIS 46 59.994 -8.099 -10.190
358 HA HIS 46 HA HIS 46 58.500 -7.029 -8.085
359 HB2 HIS 46 1HB HIS 46 60.834 -6.434 -8.521
360 HB3 HIS 46 2HB HIS 46 60.364 -5.623 -10.002
361 HD1 HIS 46 HD1 HIS 46 59.434 -3.251 -9.808
362 HD2 HIS 46 HD2 HIS 46 60.100 -5.040 -6.102
363 HE1 HIS 46 HE1 HIS 46 59.181 -1.423 -8.077
Start of MODEL 5
1 H ARG 1 3H ARG 1 23.569 8.806 32.354
2 HA ARG 1 HA ARG 1 24.720 7.446 30.221
3 HB2 ARG 1 1HB ARG 1 24.831 7.020 33.223
4 HB3 ARG 1 2HB ARG 1 25.977 6.335 32.069
5 HG2 ARG 1 1HG ARG 1 26.517 8.652 31.299
6 HG3 ARG 1 2HG ARG 1 25.470 9.281 32.571
7 HD2 ARG 1 1HD ARG 1 27.936 7.567 32.974
8 HD3 ARG 1 2HD ARG 1 27.798 9.285 33.330
9 HE ARG 1 HE ARG 1 26.909 7.125 34.979
10 HH11 ARG 1 1HH1 ARG 1 26.101 10.422 34.083
11 HH12 ARG 1 2HH1 ARG 1 25.274 10.730 35.572
12 HH21 ARG 1 1HH2 ARG 1 25.831 7.581 36.878
13 HH22 ARG 1 2HH2 ARG 1 25.123 9.141 37.134
14 H SER 2 H SER 2 22.446 6.338 32.712
15 HA SER 2 HA SER 2 22.554 3.592 32.209
16 HB2 SER 2 1HB SER 2 20.503 3.432 33.405
17 HB3 SER 2 2HB SER 2 21.362 4.798 34.108
18 HG SER 2 HG SER 2 20.119 6.046 32.436
19 H LEU 3 H LEU 3 21.381 2.212 30.898
20 HA LEU 3 HA LEU 3 20.769 3.020 28.294
21 HB2 LEU 3 1HB LEU 3 19.710 0.603 29.771
22 HB3 LEU 3 2HB LEU 3 19.754 0.813 28.022
23 HG LEU 3 HG LEU 3 22.198 0.816 29.818
24 HD11 LEU 3 1HD1 LEU 3 22.648 -1.398 28.927
25 HD12 LEU 3 2HD1 LEU 3 21.230 -1.308 27.883
26 HD13 LEU 3 3HD1 LEU 3 21.033 -1.400 29.634
27 HD21 LEU 3 1HD2 LEU 3 23.298 0.480 27.508
28 HD22 LEU 3 2HD2 LEU 3 22.697 2.097 27.878
29 HD23 LEU 3 3HD2 LEU 3 21.763 1.025 26.834
30 H LEU 4 H LEU 4 18.789 3.182 31.153
31 HA LEU 4 HA LEU 4 16.222 3.000 30.035
32 HB2 LEU 4 1HB LEU 4 17.133 4.683 32.378
33 HB3 LEU 4 2HB LEU 4 15.469 4.225 32.023
34 HG LEU 4 HG LEU 4 17.719 2.258 32.549
35 HD11 LEU 4 1HD1 LEU 4 15.443 3.210 34.314
36 HD12 LEU 4 2HD1 LEU 4 17.160 3.519 34.576
37 HD13 LEU 4 3HD1 LEU 4 16.530 1.876 34.701
38 HD21 LEU 4 1HD2 LEU 4 15.645 0.742 32.866
39 HD22 LEU 4 2HD2 LEU 4 16.089 1.167 31.213
40 HD23 LEU 4 3HD2 LEU 4 14.757 2.003 32.010
41 H GLU 5 H GLU 5 18.563 5.580 29.860
42 HA GLU 5 HA GLU 5 16.720 7.702 29.328
43 HB2 GLU 5 1HB GLU 5 19.113 7.951 30.086
44 HB3 GLU 5 2HB GLU 5 19.604 7.526 28.445
45 HG2 GLU 5 1HG GLU 5 18.231 9.411 27.582
46 HG3 GLU 5 2HG GLU 5 17.846 9.865 29.234
47 H GLY 6 H GLY 6 18.274 5.288 27.280
48 HA2 GLY 6 1HA GLY 6 17.543 4.448 25.282
49 HA3 GLY 6 2HA GLY 6 16.152 5.505 25.408
50 H GLU 7 H GLU 7 18.556 7.715 25.555
51 HA GLU 7 HA GLU 7 18.212 8.626 22.926
52 HB2 GLU 7 1HB GLU 7 20.408 9.197 24.923
53 HB3 GLU 7 2HB GLU 7 20.221 10.057 23.393
54 HG2 GLU 7 1HG GLU 7 18.099 9.860 25.545
55 HG3 GLU 7 2HG GLU 7 19.135 11.258 25.283
56 H ILE 8 H ILE 8 19.368 8.408 21.060
57 HA ILE 8 HA ILE 8 20.753 6.052 20.537
58 HB ILE 8 HB ILE 8 21.489 7.165 18.442
59 HG12 ILE 8 1HG1 ILE 8 20.133 9.611 19.618
60 HG13 ILE 8 2HG1 ILE 8 21.883 9.410 19.504
61 HG21 ILE 8 1HG2 ILE 8 18.624 7.827 19.173
62 HG22 ILE 8 2HG2 ILE 8 19.183 6.210 18.741
63 HG23 ILE 8 3HG2 ILE 8 19.261 7.516 17.558
64 HD11 ILE 8 1HD1 ILE 8 21.112 10.697 17.585
65 HD12 ILE 8 2HD1 ILE 8 19.920 9.456 17.193
66 HD13 ILE 8 3HD1 ILE 8 21.642 9.108 17.034
67 HA PRO 9 HA PRO 9 24.917 6.952 22.096
68 HB2 PRO 9 1HB PRO 9 26.381 5.708 20.063
69 HB3 PRO 9 2HB PRO 9 25.785 4.913 21.531
70 HG2 PRO 9 1HG PRO 9 24.658 4.902 18.792
71 HG3 PRO 9 2HG PRO 9 24.685 3.619 20.014
72 HD2 PRO 9 1HD PRO 9 22.439 5.033 19.500
73 HD3 PRO 9 2HD PRO 9 22.823 4.446 21.134
74 H PHE 10 H PHE 10 26.569 8.491 21.590
75 HA PHE 10 HA PHE 10 25.702 10.618 20.035
76 HB2 PHE 10 1HB PHE 10 27.559 10.400 21.894
77 HB3 PHE 10 2HB PHE 10 28.625 10.233 20.516
78 HD1 PHE 10 HD1 PHE 10 25.638 12.425 21.187
79 HD2 PHE 10 HD2 PHE 10 29.818 12.196 20.222
80 HE1 PHE 10 HE1 PHE 10 25.725 14.894 20.973
81 HE2 PHE 10 HE2 PHE 10 29.902 14.665 20.007
82 HZ PHE 10 HZ PHE 10 27.856 16.014 20.383
83 HA PRO 11 HA PRO 11 26.443 9.429 15.889
84 HB2 PRO 11 1HB PRO 11 27.567 12.099 15.256
85 HB3 PRO 11 2HB PRO 11 26.183 11.245 14.552
86 HG2 PRO 11 1HG PRO 11 25.881 13.309 16.210
87 HG3 PRO 11 2HG PRO 11 24.747 11.947 16.181
88 HD2 PRO 11 1HD PRO 11 26.869 12.584 18.186
89 HD3 PRO 11 2HD PRO 11 25.276 11.827 18.411
90 HA PRO 12 HA PRO 12 31.216 10.404 15.236
91 HB2 PRO 12 1HB PRO 12 32.063 9.930 18.060
92 HB3 PRO 12 2HB PRO 12 32.757 11.015 16.838
93 HG2 PRO 12 1HG PRO 12 31.287 11.968 18.821
94 HG3 PRO 12 2HG PRO 12 31.170 12.646 17.185
95 HD2 PRO 12 1HD PRO 12 29.260 10.843 18.610
96 HD3 PRO 12 2HD PRO 12 28.929 12.143 17.444
97 H THR 13 H THR 13 29.910 8.150 17.668
98 HA THR 13 HA THR 13 31.652 5.993 17.162
99 HB THR 13 HB THR 13 29.867 4.571 18.065
100 HG1 THR 13 HG1 THR 13 28.225 6.836 18.245
101 HG21 THR 13 1HG2 THR 13 29.563 5.761 20.215
102 HG22 THR 13 2HG2 THR 13 30.105 7.257 19.455
103 HG23 THR 13 3HG2 THR 13 31.219 5.901 19.626
104 H SER 14 H SER 14 28.701 7.044 15.477
105 HA SER 14 HA SER 14 28.539 4.945 13.620
106 HB2 SER 14 1HB SER 14 26.832 6.751 13.935
107 HB3 SER 14 2HB SER 14 27.920 7.861 13.107
108 HG SER 14 HG SER 14 27.499 6.892 11.260
109 H ILE 15 H ILE 15 30.510 7.900 13.620
110 HA ILE 15 HA ILE 15 31.592 7.614 11.034
111 HB ILE 15 HB ILE 15 33.049 8.711 13.447
112 HG12 ILE 15 1HG1 ILE 15 30.854 9.799 13.228
113 HG13 ILE 15 2HG1 ILE 15 32.138 10.906 12.756
114 HG21 ILE 15 1HG2 ILE 15 34.461 8.343 11.484
115 HG22 ILE 15 2HG2 ILE 15 34.211 10.070 11.737
116 HG23 ILE 15 3HG2 ILE 15 33.316 9.225 10.474
117 HD11 ILE 15 1HD1 ILE 15 30.281 11.042 11.164
118 HD12 ILE 15 2HD1 ILE 15 30.377 9.309 10.867
119 HD13 ILE 15 3HD1 ILE 15 31.698 10.363 10.367
120 H LEU 16 H LEU 16 32.452 6.021 14.073
121 HA LEU 16 HA LEU 16 34.825 4.771 13.198
122 HB2 LEU 16 1HB LEU 16 33.954 4.711 15.546
123 HB3 LEU 16 2HB LEU 16 32.748 3.539 15.018
124 HG LEU 16 HG LEU 16 34.645 2.102 14.167
125 HD11 LEU 16 1HD1 LEU 16 36.203 4.272 15.576
126 HD12 LEU 16 2HD1 LEU 16 36.443 3.636 13.949
127 HD13 LEU 16 3HD1 LEU 16 36.869 2.655 15.351
128 HD21 LEU 16 1HD2 LEU 16 34.896 2.690 17.123
129 HD22 LEU 16 2HD2 LEU 16 35.051 1.135 16.306
130 HD23 LEU 16 3HD2 LEU 16 33.470 1.901 16.448
131 H LEU 17 H LEU 17 31.420 3.859 12.741
132 HA LEU 17 HA LEU 17 31.870 1.459 11.325
133 HB2 LEU 17 1HB LEU 17 29.618 2.331 12.035
134 HB3 LEU 17 2HB LEU 17 29.691 3.455 10.678
135 HG LEU 17 HG LEU 17 30.183 1.345 9.245
136 HD11 LEU 17 1HD1 LEU 17 28.610 -0.060 11.385
137 HD12 LEU 17 2HD1 LEU 17 30.367 0.008 11.509
138 HD13 LEU 17 3HD1 LEU 17 29.612 -0.746 10.106
139 HD21 LEU 17 1HD2 LEU 17 27.399 1.390 10.384
140 HD22 LEU 17 2HD2 LEU 17 27.908 1.233 8.703
141 HD23 LEU 17 3HD2 LEU 17 28.008 2.797 9.512
142 H LEU 18 H LEU 18 32.048 4.820 10.256
143 HA LEU 18 HA LEU 18 32.379 4.379 7.500
144 HB2 LEU 18 1HB LEU 18 32.259 6.580 9.000
145 HB3 LEU 18 2HB LEU 18 34.008 6.477 8.877
146 HG LEU 18 HG LEU 18 33.165 7.916 7.122
147 HD11 LEU 18 1HD1 LEU 18 34.390 7.047 5.379
148 HD12 LEU 18 2HD1 LEU 18 33.727 5.426 5.575
149 HD13 LEU 18 3HD1 LEU 18 34.961 6.014 6.688
150 HD21 LEU 18 1HD2 LEU 18 31.420 7.396 5.674
151 HD22 LEU 18 2HD2 LEU 18 30.878 6.627 7.166
152 HD23 LEU 18 3HD2 LEU 18 31.619 5.658 5.893
153 H LEU 19 H LEU 19 34.702 4.154 10.169
154 HA LEU 19 HA LEU 19 37.032 3.728 8.645
155 HB2 LEU 19 1HB LEU 19 36.980 4.011 11.130
156 HB3 LEU 19 2HB LEU 19 36.377 2.359 11.257
157 HG LEU 19 HG LEU 19 38.399 1.616 9.933
158 HD11 LEU 19 1HD1 LEU 19 40.335 3.302 10.122
159 HD12 LEU 19 2HD1 LEU 19 39.089 4.520 10.391
160 HD13 LEU 19 3HD1 LEU 19 39.125 3.614 8.879
161 HD21 LEU 19 1HD2 LEU 19 39.137 3.039 12.499
162 HD22 LEU 19 2HD2 LEU 19 39.796 1.531 11.868
163 HD23 LEU 19 3HD2 LEU 19 38.145 1.582 12.485
164 H ALA 20 H ALA 20 34.433 1.508 9.538
165 HA ALA 20 HA ALA 20 35.579 -0.877 8.560
166 HB1 ALA 20 1HB ALA 20 33.359 -0.553 9.821
167 HB2 ALA 20 2HB ALA 20 33.394 -1.777 8.551
168 HB3 ALA 20 3HB ALA 20 32.657 -0.206 8.241
169 H CYS 21 H CYS 21 33.786 1.682 6.895
170 HA CYS 21 HA CYS 21 33.733 0.507 4.331
171 HB2 CYS 21 1HB CYS 21 34.017 3.455 4.938
172 HB3 CYS 21 2HB CYS 21 33.389 2.737 3.459
173 HG CYS 21 HG CYS 21 31.882 2.862 6.167
174 H ILE 22 H ILE 22 36.278 2.325 5.997
175 HA ILE 22 HA ILE 22 38.021 2.651 3.809
176 HB ILE 22 HB ILE 22 38.823 2.133 6.679
177 HG12 ILE 22 1HG1 ILE 22 37.202 3.973 6.571
178 HG13 ILE 22 2HG1 ILE 22 38.810 4.596 6.918
179 HG21 ILE 22 1HG2 ILE 22 40.652 2.004 5.025
180 HG22 ILE 22 2HG2 ILE 22 40.829 3.398 6.089
181 HG23 ILE 22 3HG2 ILE 22 40.233 3.614 4.444
182 HD11 ILE 22 1HD1 ILE 22 37.423 4.615 4.219
183 HD12 ILE 22 2HD1 ILE 22 39.074 5.165 4.502
184 HD13 ILE 22 3HD1 ILE 22 37.722 6.011 5.251
185 H PHE 23 H PHE 23 37.487 -0.139 5.947
186 HA PHE 23 HA PHE 23 39.535 -1.781 4.956
187 HB2 PHE 23 1HB PHE 23 38.029 -2.380 6.841
188 HB3 PHE 23 2HB PHE 23 36.743 -2.667 5.685
189 HD1 PHE 23 HD1 PHE 23 40.045 -3.843 6.881
190 HD2 PHE 23 HD2 PHE 23 36.649 -4.685 4.387
191 HE1 PHE 23 HE1 PHE 23 40.837 -6.175 6.587
192 HE2 PHE 23 HE2 PHE 23 37.443 -7.016 4.093
193 HZ PHE 23 HZ PHE 23 39.537 -7.760 5.193
194 H LEU 24 H LEU 24 36.312 -1.121 3.585
195 HA LEU 24 HA LEU 24 36.505 -2.853 1.388
196 HB2 LEU 24 1HB LEU 24 35.220 -0.116 1.330
197 HB3 LEU 24 2HB LEU 24 34.890 -1.465 0.250
198 HG LEU 24 HG LEU 24 34.438 -1.519 3.248
199 HD11 LEU 24 1HD1 LEU 24 32.864 -0.003 2.152
200 HD12 LEU 24 2HD1 LEU 24 32.030 -1.489 2.606
201 HD13 LEU 24 3HD1 LEU 24 32.508 -1.222 0.929
202 HD21 LEU 24 1HD2 LEU 24 34.782 -3.753 2.575
203 HD22 LEU 24 2HD2 LEU 24 34.034 -3.488 1.000
204 HD23 LEU 24 3HD2 LEU 24 33.032 -3.568 2.449
205 H ILE 25 H ILE 25 37.894 0.388 1.814
206 HA ILE 25 HA ILE 25 38.924 0.681 -0.781
207 HB ILE 25 HB ILE 25 40.296 1.604 1.756
208 HG12 ILE 25 1HG1 ILE 25 38.270 3.039 0.006
209 HG13 ILE 25 2HG1 ILE 25 37.888 2.314 1.567
210 HG21 ILE 25 1HG2 ILE 25 41.294 3.283 0.303
211 HG22 ILE 25 2HG2 ILE 25 40.376 2.679 -1.078
212 HG23 ILE 25 3HG2 ILE 25 41.637 1.682 -0.351
213 HD11 ILE 25 1HD1 ILE 25 39.949 3.790 2.373
214 HD12 ILE 25 2HD1 ILE 25 38.335 4.484 2.236
215 HD13 ILE 25 3HD1 ILE 25 39.517 4.747 0.955
216 H ALA 26 H ALA 26 40.158 -1.245 1.929
217 HA ALA 26 HA ALA 26 42.596 -2.026 0.799
218 HB1 ALA 26 1HB ALA 26 41.547 -2.632 3.098
219 HB2 ALA 26 2HB ALA 26 42.586 -3.821 2.310
220 HB3 ALA 26 3HB ALA 26 40.832 -3.994 2.237
221 H ILE 27 H ILE 27 39.329 -3.336 0.270
222 HA ILE 27 HA ILE 27 40.070 -5.416 -1.483
223 HB ILE 27 HB ILE 27 37.514 -3.785 -1.511
224 HG12 ILE 27 1HG1 ILE 27 38.142 -6.420 -0.145
225 HG13 ILE 27 2HG1 ILE 27 38.147 -4.866 0.682
226 HG21 ILE 27 1HG2 ILE 27 37.820 -5.125 -3.557
227 HG22 ILE 27 2HG2 ILE 27 36.557 -5.829 -2.549
228 HG23 ILE 27 3HG2 ILE 27 38.165 -6.553 -2.582
229 HD11 ILE 27 1HD1 ILE 27 35.967 -6.482 0.532
230 HD12 ILE 27 2HD1 ILE 27 35.683 -5.458 -0.873
231 HD13 ILE 27 3HD1 ILE 27 35.870 -4.735 0.722
232 H LEU 28 H LEU 28 39.491 -1.969 -2.102
233 HA LEU 28 HA LEU 28 39.747 -2.089 -4.911
234 HB2 LEU 28 1HB LEU 28 40.249 0.109 -2.929
235 HB3 LEU 28 2HB LEU 28 40.725 0.318 -4.604
236 HG LEU 28 HG LEU 28 38.470 1.231 -4.099
237 HD11 LEU 28 1HD1 LEU 28 39.201 0.254 -6.360
238 HD12 LEU 28 2HD1 LEU 28 37.471 0.481 -6.098
239 HD13 LEU 28 3HD1 LEU 28 38.182 -1.126 -5.951
240 HD21 LEU 28 1HD2 LEU 28 37.817 -0.487 -2.410
241 HD22 LEU 28 2HD2 LEU 28 37.669 -1.667 -3.712
242 HD23 LEU 28 3HD2 LEU 28 36.599 -0.266 -3.667
243 H ALA 29 H ALA 29 42.198 -2.096 -2.385
244 HA ALA 29 HA ALA 29 44.480 -1.787 -3.993
245 HB1 ALA 29 1HB ALA 29 45.705 -2.704 -2.204
246 HB2 ALA 29 2HB ALA 29 44.365 -3.735 -1.698
247 HB3 ALA 29 3HB ALA 29 44.292 -1.995 -1.422
248 H ALA 30 H ALA 30 42.505 -4.648 -3.316
249 HA ALA 30 HA ALA 30 44.063 -6.555 -4.683
250 HB1 ALA 30 1HB ALA 30 41.044 -6.524 -4.698
251 HB2 ALA 30 2HB ALA 30 41.978 -6.957 -3.266
252 HB3 ALA 30 3HB ALA 30 42.119 -7.921 -4.736
253 H SER 31 H SER 31 41.574 -4.321 -5.887
254 HA SER 31 HA SER 31 41.625 -5.103 -8.584
255 HB2 SER 31 1HB SER 31 41.323 -2.258 -7.603
256 HB3 SER 31 2HB SER 31 40.745 -2.928 -9.122
257 HG SER 31 HG SER 31 39.974 -3.875 -6.556
258 H ALA 32 H ALA 32 43.835 -2.993 -6.784
259 HA ALA 32 HA ALA 32 45.371 -2.069 -8.945
260 HB1 ALA 32 1HB ALA 32 45.505 -1.405 -6.465
261 HB2 ALA 32 2HB ALA 32 47.023 -1.496 -7.361
262 HB3 ALA 32 3HB ALA 32 46.558 -2.808 -6.275
263 H LEU 33 H LEU 33 45.518 -5.120 -7.138
264 HA LEU 33 HA LEU 33 47.857 -6.150 -8.328
265 HB2 LEU 33 1HB LEU 33 45.404 -7.707 -7.480
266 HB3 LEU 33 2HB LEU 33 47.021 -8.360 -7.725
267 HG LEU 33 HG LEU 33 46.310 -6.228 -5.688
268 HD11 LEU 33 1HD1 LEU 33 46.718 -8.043 -4.039
269 HD12 LEU 33 2HD1 LEU 33 46.906 -9.186 -5.369
270 HD13 LEU 33 3HD1 LEU 33 45.350 -8.406 -5.090
271 HD21 LEU 33 1HD2 LEU 33 48.632 -6.935 -4.826
272 HD22 LEU 33 2HD2 LEU 33 48.600 -5.951 -6.290
273 HD23 LEU 33 3HD2 LEU 33 48.859 -7.693 -6.403
274 H TRP 34 H TRP 34 44.492 -6.117 -9.478
275 HA TRP 34 HA TRP 34 44.884 -7.619 -11.836
276 HB2 TRP 34 1HB TRP 34 42.679 -6.741 -10.977
277 HB3 TRP 34 2HB TRP 34 43.127 -5.179 -11.634
278 HD1 TRP 34 HD1 TRP 34 42.694 -4.759 -14.122
279 HE1 TRP 34 HE1 TRP 34 41.767 -6.183 -16.060
280 HE3 TRP 34 HE3 TRP 34 42.659 -9.356 -11.899
281 HZ2 TRP 34 HZ2 TRP 34 41.100 -8.918 -16.599
282 HZ3 TRP 34 HZ3 TRP 34 41.877 -11.348 -13.143
283 HH2 TRP 34 HH2 TRP 34 41.099 -11.138 -15.486
284 H ALA 35 H ALA 35 45.641 -4.252 -11.109
285 HA ALA 35 HA ALA 35 46.461 -3.440 -13.678
286 HB1 ALA 35 1HB ALA 35 47.981 -2.572 -11.244
287 HB2 ALA 35 2HB ALA 35 46.291 -2.101 -11.431
288 HB3 ALA 35 3HB ALA 35 47.479 -1.626 -12.645
289 H ALA 36 H ALA 36 48.194 -5.221 -11.157
290 HA ALA 36 HA ALA 36 50.683 -5.445 -12.436
291 HB1 ALA 36 1HB ALA 36 51.159 -7.152 -10.925
292 HB2 ALA 36 2HB ALA 36 49.503 -7.759 -10.935
293 HB3 ALA 36 3HB ALA 36 49.888 -6.262 -10.085
294 H ALA 37 H ALA 37 47.719 -7.350 -12.865
295 HA ALA 37 HA ALA 37 48.706 -9.272 -14.646
296 HB1 ALA 37 1HB ALA 37 46.336 -8.961 -13.560
297 HB2 ALA 37 2HB ALA 37 46.494 -9.782 -15.113
298 HB3 ALA 37 3HB ALA 37 45.983 -8.095 -15.055
299 H TRP 38 H TRP 38 47.642 -5.957 -15.266
300 HA TRP 38 HA TRP 38 47.663 -5.953 -18.045
301 HB2 TRP 38 1HB TRP 38 46.973 -4.064 -16.575
302 HB3 TRP 38 2HB TRP 38 48.667 -3.731 -16.275
303 HD1 TRP 38 HD1 TRP 38 46.105 -3.761 -19.140
304 HE1 TRP 38 HE1 TRP 38 46.880 -2.082 -20.935
305 HE3 TRP 38 HE3 TRP 38 50.637 -2.426 -17.202
306 HZ2 TRP 38 HZ2 TRP 38 49.127 -0.392 -21.478
307 HZ3 TRP 38 HZ3 TRP 38 52.070 -0.784 -18.373
308 HH2 TRP 38 HH2 TRP 38 51.325 0.235 -20.506
309 H HIS 39 H HIS 39 50.404 -6.152 -15.888
310 HA HIS 39 HA HIS 39 52.408 -5.016 -17.468
311 HB2 HIS 39 1HB HIS 39 52.654 -5.736 -15.111
312 HB3 HIS 39 2HB HIS 39 52.610 -7.407 -15.633
313 HD1 HIS 39 HD1 HIS 39 54.667 -4.305 -16.489
314 HD2 HIS 39 HD2 HIS 39 55.156 -8.403 -15.900
315 HE1 HIS 39 HE1 HIS 39 57.144 -4.771 -16.729
316 H GLY 40 H GLY 40 53.600 -5.702 -19.176
317 HA2 GLY 40 1HA GLY 40 52.828 -7.908 -20.779
318 HA3 GLY 40 2HA GLY 40 54.332 -7.002 -20.935
319 H GLN 41 H GLN 41 53.662 -9.998 -20.943
320 HA GLN 41 HA GLN 41 54.863 -11.239 -18.739
321 HB2 GLN 41 1HB GLN 41 54.909 -12.031 -21.658
322 HB3 GLN 41 2HB GLN 41 55.412 -13.079 -20.332
323 HG2 GLN 41 1HG GLN 41 53.186 -12.940 -19.332
324 HG3 GLN 41 2HG GLN 41 52.669 -11.819 -20.589
325 HE21 GLN 41 1HE2 GLN 41 51.336 -14.319 -20.162
326 HE22 GLN 41 2HE2 GLN 41 51.606 -15.304 -21.518
327 H LYS 42 H LYS 42 56.339 -9.548 -21.458
328 HA LYS 42 HA LYS 42 59.003 -10.292 -21.136
329 HB2 LYS 42 1HB LYS 42 57.699 -7.726 -22.025
330 HB3 LYS 42 2HB LYS 42 59.454 -7.893 -21.963
331 HG2 LYS 42 1HG LYS 42 59.387 -9.767 -23.502
332 HG3 LYS 42 2HG LYS 42 57.623 -9.781 -23.471
333 HD2 LYS 42 1HD LYS 42 57.520 -7.609 -24.531
334 HD3 LYS 42 2HD LYS 42 59.268 -7.413 -24.400
335 HE2 LYS 42 1HE LYS 42 59.555 -9.421 -25.864
336 HE3 LYS 42 2HE LYS 42 57.805 -9.467 -26.080
337 HZ1 LYS 42 1HZ LYS 42 59.760 -7.599 -27.154
338 HZ2 LYS 42 2HZ LYS 42 58.274 -6.935 -26.667
339 HZ3 LYS 42 3HZ LYS 42 58.314 -8.169 -27.834
340 HA PRO 43 HA PRO 43 60.083 -8.492 -17.138
341 HB2 PRO 43 1HB PRO 43 62.662 -7.609 -17.722
342 HB3 PRO 43 2HB PRO 43 62.236 -9.244 -17.188
343 HG2 PRO 43 1HG PRO 43 62.776 -8.235 -19.925
344 HG3 PRO 43 2HG PRO 43 63.199 -9.790 -19.185
345 HD2 PRO 43 1HD PRO 43 61.141 -9.575 -20.918
346 HD3 PRO 43 2HD PRO 43 61.087 -10.702 -19.543
347 H GLY 44 H GLY 44 60.385 -6.746 -20.154
348 HA2 GLY 44 1HA GLY 44 60.954 -4.160 -19.272
349 HA3 GLY 44 2HA GLY 44 60.020 -4.549 -20.713
350 H THR 45 H THR 45 59.681 -2.409 -18.679
351 HA THR 45 HA THR 45 57.556 -2.877 -16.933
352 HB THR 45 HB THR 45 58.897 -0.847 -16.845
353 HG1 THR 45 HG1 THR 45 57.182 0.569 -16.544
354 HG21 THR 45 1HG2 THR 45 58.474 0.942 -18.554
355 HG22 THR 45 2HG2 THR 45 57.567 -0.239 -19.498
356 HG23 THR 45 3HG2 THR 45 59.289 -0.479 -19.210
357 H HIS 46 H HIS 46 57.484 -2.511 -20.406
358 HA HIS 46 HA HIS 46 55.765 -2.486 -21.925
359 HB2 HIS 46 1HB HIS 46 55.191 -4.601 -20.838
360 HB3 HIS 46 2HB HIS 46 54.271 -3.743 -19.618
361 HD1 HIS 46 HD1 HIS 46 51.879 -3.119 -20.182
362 HD2 HIS 46 HD2 HIS 46 53.973 -4.566 -23.484
363 HE1 HIS 46 HE1 HIS 46 50.175 -3.435 -22.027
Start of MODEL 6
1 H ARG 1 3H ARG 1 15.043 11.292 7.010
2 HA ARG 1 HA ARG 1 13.918 12.979 9.158
3 HB2 ARG 1 1HB ARG 1 14.732 11.324 10.758
4 HB3 ARG 1 2HB ARG 1 13.571 10.573 9.666
5 HG2 ARG 1 1HG ARG 1 15.540 9.792 8.273
6 HG3 ARG 1 2HG ARG 1 16.585 10.349 9.580
7 HD2 ARG 1 1HD ARG 1 15.339 8.881 11.160
8 HD3 ARG 1 2HD ARG 1 14.405 8.261 9.801
9 HE ARG 1 HE ARG 1 16.277 7.057 9.100
10 HH11 ARG 1 1HH1 ARG 1 17.199 9.210 11.714
11 HH12 ARG 1 2HH1 ARG 1 18.744 8.456 11.924
12 HH21 ARG 1 1HH2 ARG 1 18.279 6.127 9.415
13 HH22 ARG 1 2HH2 ARG 1 19.348 6.733 10.637
14 H SER 2 H SER 2 16.293 12.518 10.749
15 HA SER 2 HA SER 2 17.783 14.700 9.857
16 HB2 SER 2 1HB SER 2 17.717 13.890 12.194
17 HB3 SER 2 2HB SER 2 18.698 12.507 11.722
18 HG SER 2 HG SER 2 20.009 14.175 12.513
19 H LEU 3 H LEU 3 18.121 11.346 8.977
20 HA LEU 3 HA LEU 3 20.833 11.217 8.345
21 HB2 LEU 3 1HB LEU 3 19.274 9.287 8.427
22 HB3 LEU 3 2HB LEU 3 18.558 9.833 6.912
23 HG LEU 3 HG LEU 3 20.842 9.682 5.861
24 HD11 LEU 3 1HD1 LEU 3 21.456 8.626 8.616
25 HD12 LEU 3 2HD1 LEU 3 22.361 9.797 7.655
26 HD13 LEU 3 3HD1 LEU 3 22.391 8.087 7.222
27 HD21 LEU 3 1HD2 LEU 3 20.868 7.122 5.925
28 HD22 LEU 3 2HD2 LEU 3 19.349 7.873 5.435
29 HD23 LEU 3 3HD2 LEU 3 19.533 7.241 7.071
30 H LEU 4 H LEU 4 18.251 12.819 6.609
31 HA LEU 4 HA LEU 4 19.327 12.796 4.014
32 HB2 LEU 4 1HB LEU 4 17.443 14.625 5.458
33 HB3 LEU 4 2HB LEU 4 18.014 15.036 3.841
34 HG LEU 4 HG LEU 4 17.340 12.537 3.302
35 HD11 LEU 4 1HD1 LEU 4 16.791 11.968 5.649
36 HD12 LEU 4 2HD1 LEU 4 15.382 11.809 4.601
37 HD13 LEU 4 3HD1 LEU 4 15.544 13.215 5.651
38 HD21 LEU 4 1HD2 LEU 4 15.178 14.619 3.725
39 HD22 LEU 4 2HD2 LEU 4 15.196 13.329 2.523
40 HD23 LEU 4 3HD2 LEU 4 16.332 14.672 2.392
41 H GLU 5 H GLU 5 20.258 14.655 6.807
42 HA GLU 5 HA GLU 5 21.569 16.779 5.423
43 HB2 GLU 5 1HB GLU 5 20.818 16.866 7.797
44 HB3 GLU 5 2HB GLU 5 22.110 15.741 8.211
45 HG2 GLU 5 1HG GLU 5 22.925 17.955 8.663
46 HG3 GLU 5 2HG GLU 5 23.748 17.386 7.217
47 H GLY 6 H GLY 6 22.556 13.536 6.268
48 HA2 GLY 6 1HA GLY 6 24.296 12.352 5.254
49 HA3 GLY 6 2HA GLY 6 24.957 13.866 4.661
50 H GLU 7 H GLU 7 24.555 14.675 7.758
51 HA GLU 7 HA GLU 7 27.224 14.404 8.562
52 HB2 GLU 7 1HB GLU 7 24.733 14.670 10.264
53 HB3 GLU 7 2HB GLU 7 26.384 14.903 10.843
54 HG2 GLU 7 1HG GLU 7 26.694 16.694 9.145
55 HG3 GLU 7 2HG GLU 7 25.017 16.498 8.660
56 H ILE 8 H ILE 8 28.325 12.889 9.784
57 HA ILE 8 HA ILE 8 27.581 10.206 9.690
58 HB ILE 8 HB ILE 8 29.354 9.849 11.406
59 HG12 ILE 8 1HG1 ILE 8 29.664 12.862 11.345
60 HG13 ILE 8 2HG1 ILE 8 28.810 12.019 12.635
61 HG21 ILE 8 1HG2 ILE 8 29.797 10.214 8.929
62 HG22 ILE 8 2HG2 ILE 8 31.157 10.570 9.995
63 HG23 ILE 8 3HG2 ILE 8 30.190 11.886 9.331
64 HD11 ILE 8 1HD1 ILE 8 30.734 11.081 13.489
65 HD12 ILE 8 2HD1 ILE 8 31.412 12.564 12.820
66 HD13 ILE 8 3HD1 ILE 8 31.551 11.051 11.925
67 HA PRO 9 HA PRO 9 24.570 9.906 13.014
68 HB2 PRO 9 1HB PRO 9 25.726 7.276 13.725
69 HB3 PRO 9 2HB PRO 9 24.072 7.685 13.244
70 HG2 PRO 9 1HG PRO 9 25.744 6.368 11.625
71 HG3 PRO 9 2HG PRO 9 24.527 7.505 11.016
72 HD2 PRO 9 1HD PRO 9 27.480 7.884 11.293
73 HD3 PRO 9 2HD PRO 9 26.370 8.518 10.057
74 H PHE 10 H PHE 10 24.546 10.364 15.213
75 HA PHE 10 HA PHE 10 26.841 11.533 16.261
76 HB2 PHE 10 1HB PHE 10 24.326 11.820 16.822
77 HB3 PHE 10 2HB PHE 10 24.648 10.611 18.052
78 HD1 PHE 10 HD1 PHE 10 26.622 11.080 19.675
79 HD2 PHE 10 HD2 PHE 10 24.785 14.078 17.207
80 HE1 PHE 10 HE1 PHE 10 27.529 12.852 21.152
81 HE2 PHE 10 HE2 PHE 10 25.692 15.850 18.684
82 HZ PHE 10 HZ PHE 10 27.064 15.238 20.657
83 HA PRO 11 HA PRO 11 27.298 7.698 19.264
84 HB2 PRO 11 1HB PRO 11 27.255 5.581 17.159
85 HB3 PRO 11 2HB PRO 11 26.736 5.501 18.854
86 HG2 PRO 11 1HG PRO 11 24.968 5.659 16.886
87 HG3 PRO 11 2HG PRO 11 24.715 6.504 18.426
88 HD2 PRO 11 1HD PRO 11 25.518 7.630 15.779
89 HD3 PRO 11 2HD PRO 11 24.529 8.357 17.064
90 HA PRO 12 HA PRO 12 31.605 7.939 17.750
91 HB2 PRO 12 1HB PRO 12 32.764 6.292 19.663
92 HB3 PRO 12 2HB PRO 12 32.483 8.030 19.863
93 HG2 PRO 12 1HG PRO 12 30.895 5.735 20.870
94 HG3 PRO 12 2HG PRO 12 31.260 7.289 21.644
95 HD2 PRO 12 1HD PRO 12 28.845 6.795 20.528
96 HD3 PRO 12 2HD PRO 12 29.576 8.416 20.508
97 H THR 13 H THR 13 30.014 4.902 18.670
98 HA THR 13 HA THR 13 31.661 3.115 17.262
99 HB THR 13 HB THR 13 28.669 2.899 17.641
100 HG1 THR 13 HG1 THR 13 30.874 2.480 19.333
101 HG21 THR 13 1HG2 THR 13 29.155 0.473 17.594
102 HG22 THR 13 2HG2 THR 13 30.854 0.829 17.279
103 HG23 THR 13 3HG2 THR 13 29.629 1.256 16.086
104 H SER 14 H SER 14 29.006 5.189 16.145
105 HA SER 14 HA SER 14 28.751 4.107 13.554
106 HB2 SER 14 1HB SER 14 28.421 7.001 14.373
107 HB3 SER 14 2HB SER 14 27.716 6.215 12.964
108 HG SER 14 HG SER 14 26.412 5.037 14.276
109 H ILE 15 H ILE 15 30.928 6.601 14.866
110 HA ILE 15 HA ILE 15 32.169 7.291 12.431
111 HB ILE 15 HB ILE 15 33.414 7.201 15.194
112 HG12 ILE 15 1HG1 ILE 15 32.098 9.506 13.730
113 HG13 ILE 15 2HG1 ILE 15 31.284 8.539 14.960
114 HG21 ILE 15 1HG2 ILE 15 34.156 8.829 12.741
115 HG22 ILE 15 2HG2 ILE 15 35.046 7.420 13.316
116 HG23 ILE 15 3HG2 ILE 15 34.963 8.876 14.307
117 HD11 ILE 15 1HD1 ILE 15 32.987 9.166 16.612
118 HD12 ILE 15 2HD1 ILE 15 32.255 10.612 15.918
119 HD13 ILE 15 3HD1 ILE 15 33.854 10.092 15.387
120 H LEU 16 H LEU 16 32.800 4.608 14.677
121 HA LEU 16 HA LEU 16 35.074 3.601 13.333
122 HB2 LEU 16 1HB LEU 16 33.033 2.325 15.122
123 HB3 LEU 16 2HB LEU 16 34.229 1.333 14.292
124 HG LEU 16 HG LEU 16 35.999 2.910 15.222
125 HD11 LEU 16 1HD1 LEU 16 33.575 3.828 16.781
126 HD12 LEU 16 2HD1 LEU 16 34.685 4.816 15.831
127 HD13 LEU 16 3HD1 LEU 16 35.224 4.090 17.345
128 HD21 LEU 16 1HD2 LEU 16 34.337 1.426 17.280
129 HD22 LEU 16 2HD2 LEU 16 36.066 1.761 17.359
130 HD23 LEU 16 3HD2 LEU 16 35.440 0.638 16.151
131 H LEU 17 H LEU 17 31.617 3.187 12.671
132 HA LEU 17 HA LEU 17 31.870 1.221 10.673
133 HB2 LEU 17 1HB LEU 17 29.887 3.510 10.655
134 HB3 LEU 17 2HB LEU 17 29.741 1.977 9.805
135 HG LEU 17 HG LEU 17 29.917 2.249 12.818
136 HD11 LEU 17 1HD1 LEU 17 27.807 3.161 11.819
137 HD12 LEU 17 2HD1 LEU 17 27.536 1.742 12.829
138 HD13 LEU 17 3HD1 LEU 17 27.526 1.590 11.073
139 HD21 LEU 17 1HD2 LEU 17 28.990 -0.174 12.545
140 HD22 LEU 17 2HD2 LEU 17 30.711 0.097 12.273
141 HD23 LEU 17 3HD2 LEU 17 29.617 -0.059 10.900
142 H LEU 18 H LEU 18 32.349 4.733 10.515
143 HA LEU 18 HA LEU 18 32.765 4.922 7.731
144 HB2 LEU 18 1HB LEU 18 32.612 6.884 9.267
145 HB3 LEU 18 2HB LEU 18 34.228 6.500 9.859
146 HG LEU 18 HG LEU 18 35.040 6.633 7.470
147 HD11 LEU 18 1HD1 LEU 18 32.194 7.587 7.117
148 HD12 LEU 18 2HD1 LEU 18 33.055 6.351 6.198
149 HD13 LEU 18 3HD1 LEU 18 33.475 8.052 5.997
150 HD21 LEU 18 1HD2 LEU 18 35.442 8.496 8.959
151 HD22 LEU 18 2HD2 LEU 18 33.785 9.068 8.771
152 HD23 LEU 18 3HD2 LEU 18 34.908 9.157 7.414
153 H LEU 19 H LEU 19 34.963 3.951 10.345
154 HA LEU 19 HA LEU 19 37.279 3.608 8.769
155 HB2 LEU 19 1HB LEU 19 37.122 3.383 11.298
156 HB3 LEU 19 2HB LEU 19 36.503 1.755 11.020
157 HG LEU 19 HG LEU 19 38.560 1.350 9.576
158 HD11 LEU 19 1HD1 LEU 19 39.381 3.515 9.120
159 HD12 LEU 19 2HD1 LEU 19 40.498 2.897 10.337
160 HD13 LEU 19 3HD1 LEU 19 39.223 4.025 10.800
161 HD21 LEU 19 1HD2 LEU 19 38.248 0.553 11.951
162 HD22 LEU 19 2HD2 LEU 19 39.104 1.998 12.489
163 HD23 LEU 19 3HD2 LEU 19 39.934 0.801 11.494
164 H ALA 20 H ALA 20 34.450 1.532 9.192
165 HA ALA 20 HA ALA 20 35.355 -0.696 7.724
166 HB1 ALA 20 1HB ALA 20 33.119 -0.285 9.039
167 HB2 ALA 20 2HB ALA 20 33.140 -1.388 7.662
168 HB3 ALA 20 3HB ALA 20 32.524 0.253 7.469
169 H CYS 21 H CYS 21 33.909 2.360 6.657
170 HA CYS 21 HA CYS 21 33.747 1.786 3.909
171 HB2 CYS 21 1HB CYS 21 33.052 3.913 5.364
172 HB3 CYS 21 2HB CYS 21 34.588 4.522 4.749
173 HG CYS 21 HG CYS 21 33.133 5.102 2.788
174 H ILE 22 H ILE 22 36.458 2.940 5.883
175 HA ILE 22 HA ILE 22 38.304 3.338 3.792
176 HB ILE 22 HB ILE 22 38.924 2.340 6.578
177 HG12 ILE 22 1HG1 ILE 22 37.568 4.368 6.718
178 HG13 ILE 22 2HG1 ILE 22 39.235 4.738 7.135
179 HG21 ILE 22 1HG2 ILE 22 40.833 2.165 5.110
180 HG22 ILE 22 2HG2 ILE 22 41.072 3.560 6.160
181 HG23 ILE 22 3HG2 ILE 22 40.560 3.792 4.489
182 HD11 ILE 22 1HD1 ILE 22 39.090 6.412 5.626
183 HD12 ILE 22 2HD1 ILE 22 37.591 5.777 4.955
184 HD13 ILE 22 3HD1 ILE 22 39.141 5.175 4.373
185 H PHE 23 H PHE 23 37.348 0.377 5.521
186 HA PHE 23 HA PHE 23 39.252 -1.337 4.367
187 HB2 PHE 23 1HB PHE 23 37.649 -1.968 6.175
188 HB3 PHE 23 2HB PHE 23 36.381 -2.042 4.966
189 HD1 PHE 23 HD1 PHE 23 39.497 -3.605 6.185
190 HD2 PHE 23 HD2 PHE 23 36.226 -3.885 3.415
191 HE1 PHE 23 HE1 PHE 23 40.123 -5.953 5.682
192 HE2 PHE 23 HE2 PHE 23 36.852 -6.232 2.913
193 HZ PHE 23 HZ PHE 23 38.800 -7.266 4.047
194 H LEU 24 H LEU 24 36.137 -0.189 3.076
195 HA LEU 24 HA LEU 24 36.125 -1.811 0.787
196 HB2 LEU 24 1HB LEU 24 34.869 0.834 1.421
197 HB3 LEU 24 2HB LEU 24 34.765 0.179 -0.211
198 HG LEU 24 HG LEU 24 33.899 -1.971 0.818
199 HD11 LEU 24 1HD1 LEU 24 32.831 -1.521 3.135
200 HD12 LEU 24 2HD1 LEU 24 33.978 -0.188 3.245
201 HD13 LEU 24 3HD1 LEU 24 34.564 -1.842 3.080
202 HD21 LEU 24 1HD2 LEU 24 31.633 -1.121 1.047
203 HD22 LEU 24 2HD2 LEU 24 32.447 -0.202 -0.220
204 HD23 LEU 24 3HD2 LEU 24 32.237 0.502 1.384
205 H ILE 25 H ILE 25 37.604 1.454 1.165
206 HA ILE 25 HA ILE 25 38.537 1.527 -1.494
207 HB ILE 25 HB ILE 25 40.099 3.235 -0.878
208 HG12 ILE 25 1HG1 ILE 25 39.377 3.003 2.023
209 HG13 ILE 25 2HG1 ILE 25 40.666 1.981 1.389
210 HG21 ILE 25 1HG2 ILE 25 37.625 3.608 0.813
211 HG22 ILE 25 2HG2 ILE 25 37.585 3.633 -0.950
212 HG23 ILE 25 3HG2 ILE 25 38.531 4.835 -0.071
213 HD11 ILE 25 1HD1 ILE 25 40.579 4.977 0.976
214 HD12 ILE 25 2HD1 ILE 25 41.934 3.890 0.677
215 HD13 ILE 25 3HD1 ILE 25 41.415 4.219 2.331
216 H ALA 26 H ALA 26 39.882 -0.110 1.325
217 HA ALA 26 HA ALA 26 42.326 -0.885 0.202
218 HB1 ALA 26 1HB ALA 26 40.734 -2.850 1.804
219 HB2 ALA 26 2HB ALA 26 41.253 -1.348 2.568
220 HB3 ALA 26 3HB ALA 26 42.451 -2.457 1.899
221 H ILE 27 H ILE 27 39.084 -2.317 -0.165
222 HA ILE 27 HA ILE 27 39.835 -4.517 -1.750
223 HB ILE 27 HB ILE 27 37.279 -2.897 -1.924
224 HG12 ILE 27 1HG1 ILE 27 37.887 -5.382 -0.294
225 HG13 ILE 27 2HG1 ILE 27 37.867 -3.749 0.373
226 HG21 ILE 27 1HG2 ILE 27 37.692 -4.487 -3.815
227 HG22 ILE 27 2HG2 ILE 27 36.301 -4.935 -2.830
228 HG23 ILE 27 3HG2 ILE 27 37.829 -5.793 -2.638
229 HD11 ILE 27 1HD1 ILE 27 35.571 -5.345 -0.754
230 HD12 ILE 27 2HD1 ILE 27 35.489 -3.587 -0.651
231 HD13 ILE 27 3HD1 ILE 27 35.692 -4.546 0.815
232 H LEU 28 H LEU 28 39.196 -1.133 -2.632
233 HA LEU 28 HA LEU 28 39.492 -1.430 -5.425
234 HB2 LEU 28 1HB LEU 28 40.402 0.953 -3.796
235 HB3 LEU 28 2HB LEU 28 40.026 0.926 -5.513
236 HG LEU 28 HG LEU 28 38.038 0.289 -3.314
237 HD11 LEU 28 1HD1 LEU 28 38.409 2.774 -5.016
238 HD12 LEU 28 2HD1 LEU 28 38.665 2.659 -3.275
239 HD13 LEU 28 3HD1 LEU 28 37.042 2.483 -3.941
240 HD21 LEU 28 1HD2 LEU 28 37.920 0.421 -6.323
241 HD22 LEU 28 2HD2 LEU 28 36.477 0.737 -5.361
242 HD23 LEU 28 3HD2 LEU 28 37.287 -0.824 -5.247
243 H ALA 29 H ALA 29 41.910 -1.175 -2.855
244 HA ALA 29 HA ALA 29 44.208 -1.036 -4.470
245 HB1 ALA 29 1HB ALA 29 43.899 -0.996 -1.848
246 HB2 ALA 29 2HB ALA 29 45.412 -1.551 -2.567
247 HB3 ALA 29 3HB ALA 29 44.221 -2.723 -2.001
248 H ALA 30 H ALA 30 42.233 -3.802 -3.482
249 HA ALA 30 HA ALA 30 43.887 -5.853 -4.464
250 HB1 ALA 30 1HB ALA 30 41.660 -5.962 -3.098
251 HB2 ALA 30 2HB ALA 30 42.057 -7.270 -4.212
252 HB3 ALA 30 3HB ALA 30 40.900 -6.028 -4.689
253 H SER 31 H SER 31 41.389 -3.915 -6.101
254 HA SER 31 HA SER 31 41.601 -5.138 -8.626
255 HB2 SER 31 1HB SER 31 40.473 -3.287 -9.511
256 HB3 SER 31 2HB SER 31 39.943 -3.326 -7.835
257 HG SER 31 HG SER 31 41.472 -1.485 -9.189
258 H ALA 32 H ALA 32 43.632 -2.660 -7.104
259 HA ALA 32 HA ALA 32 45.226 -2.042 -9.334
260 HB1 ALA 32 1HB ALA 32 46.759 -1.108 -7.809
261 HB2 ALA 32 2HB ALA 32 46.321 -2.247 -6.536
262 HB3 ALA 32 3HB ALA 32 45.202 -0.962 -6.993
263 H LEU 33 H LEU 33 45.455 -4.689 -6.972
264 HA LEU 33 HA LEU 33 47.914 -5.737 -7.877
265 HB2 LEU 33 1HB LEU 33 45.566 -6.901 -6.420
266 HB3 LEU 33 2HB LEU 33 46.805 -7.985 -7.034
267 HG LEU 33 HG LEU 33 47.182 -7.314 -4.673
268 HD11 LEU 33 1HD1 LEU 33 49.373 -6.058 -6.294
269 HD12 LEU 33 2HD1 LEU 33 49.034 -7.782 -6.449
270 HD13 LEU 33 3HD1 LEU 33 49.493 -7.111 -4.884
271 HD21 LEU 33 1HD2 LEU 33 47.910 -5.021 -4.161
272 HD22 LEU 33 2HD2 LEU 33 46.266 -5.028 -4.793
273 HD23 LEU 33 3HD2 LEU 33 47.607 -4.543 -5.831
274 H TRP 34 H TRP 34 44.592 -6.282 -9.024
275 HA TRP 34 HA TRP 34 45.231 -8.190 -11.004
276 HB2 TRP 34 1HB TRP 34 43.060 -6.128 -10.831
277 HB3 TRP 34 2HB TRP 34 43.247 -7.128 -12.256
278 HD1 TRP 34 HD1 TRP 34 41.857 -7.112 -8.797
279 HE1 TRP 34 HE1 TRP 34 40.825 -9.408 -8.255
280 HE3 TRP 34 HE3 TRP 34 43.624 -9.825 -12.745
281 HZ2 TRP 34 HZ2 TRP 34 40.756 -12.055 -9.353
282 HZ3 TRP 34 HZ3 TRP 34 43.063 -12.225 -12.973
283 HH2 TRP 34 HH2 TRP 34 41.634 -13.344 -11.286
284 H ALA 35 H ALA 35 45.593 -4.683 -10.994
285 HA ALA 35 HA ALA 35 46.314 -4.330 -13.691
286 HB1 ALA 35 1HB ALA 35 45.998 -2.585 -11.767
287 HB2 ALA 35 2HB ALA 35 47.145 -2.248 -13.063
288 HB3 ALA 35 3HB ALA 35 47.723 -2.836 -11.505
289 H ALA 36 H ALA 36 48.248 -5.319 -10.890
290 HA ALA 36 HA ALA 36 50.726 -5.588 -12.196
291 HB1 ALA 36 1HB ALA 36 49.847 -7.554 -10.108
292 HB2 ALA 36 2HB ALA 36 50.084 -5.860 -9.679
293 HB3 ALA 36 3HB ALA 36 51.425 -6.799 -10.337
294 H ALA 37 H ALA 37 47.978 -7.818 -11.992
295 HA ALA 37 HA ALA 37 49.110 -10.023 -13.284
296 HB1 ALA 37 1HB ALA 37 46.940 -10.829 -13.528
297 HB2 ALA 37 2HB ALA 37 46.266 -9.222 -13.803
298 HB3 ALA 37 3HB ALA 37 46.769 -9.701 -12.182
299 H TRP 38 H TRP 38 47.778 -7.058 -14.653
300 HA TRP 38 HA TRP 38 47.635 -7.755 -17.331
301 HB2 TRP 38 1HB TRP 38 46.908 -5.593 -16.362
302 HB3 TRP 38 2HB TRP 38 48.589 -5.117 -16.228
303 HD1 TRP 38 HD1 TRP 38 49.667 -4.016 -18.265
304 HE1 TRP 38 HE1 TRP 38 48.916 -3.540 -20.684
305 HE3 TRP 38 HE3 TRP 38 45.320 -6.692 -18.381
306 HZ2 TRP 38 HZ2 TRP 38 46.753 -4.206 -22.439
307 HZ3 TRP 38 HZ3 TRP 38 43.937 -6.755 -20.433
308 HH2 TRP 38 HH2 TRP 38 44.645 -5.518 -22.460
309 H HIS 39 H HIS 39 50.523 -7.246 -15.411
310 HA HIS 39 HA HIS 39 52.359 -6.593 -17.417
311 HB2 HIS 39 1HB HIS 39 52.686 -8.205 -14.891
312 HB3 HIS 39 2HB HIS 39 54.032 -7.755 -15.920
313 HD1 HIS 39 HD1 HIS 39 52.567 -6.734 -12.921
314 HD2 HIS 39 HD2 HIS 39 53.758 -4.630 -16.318
315 HE1 HIS 39 HE1 HIS 39 52.873 -4.328 -12.201
316 H GLY 40 H GLY 40 53.592 -7.772 -18.836
317 HA2 GLY 40 1HA GLY 40 52.591 -10.152 -19.932
318 HA3 GLY 40 2HA GLY 40 54.211 -9.517 -20.203
319 H GLN 41 H GLN 41 53.146 -12.311 -19.688
320 HA GLN 41 HA GLN 41 53.968 -13.257 -17.189
321 HB2 GLN 41 1HB GLN 41 54.044 -14.612 -19.890
322 HB3 GLN 41 2HB GLN 41 54.281 -15.443 -18.351
323 HG2 GLN 41 1HG GLN 41 52.060 -14.752 -17.598
324 HG3 GLN 41 2HG GLN 41 51.819 -13.834 -19.082
325 HE21 GLN 41 1HE2 GLN 41 50.054 -15.965 -18.307
326 HE22 GLN 41 2HE2 GLN 41 50.222 -17.224 -19.433
327 H LYS 42 H LYS 42 55.907 -12.289 -19.947
328 HA LYS 42 HA LYS 42 58.299 -13.600 -19.391
329 HB2 LYS 42 1HB LYS 42 57.606 -11.001 -20.713
330 HB3 LYS 42 2HB LYS 42 59.298 -11.378 -20.394
331 HG2 LYS 42 1HG LYS 42 59.284 -13.250 -21.800
332 HG3 LYS 42 2HG LYS 42 57.530 -13.418 -21.719
333 HD2 LYS 42 1HD LYS 42 57.494 -11.080 -22.875
334 HD3 LYS 42 2HD LYS 42 59.164 -11.452 -23.308
335 HE2 LYS 42 1HE LYS 42 58.347 -13.634 -24.269
336 HE3 LYS 42 2HE LYS 42 56.699 -13.071 -23.998
337 HZ1 LYS 42 1HZ LYS 42 56.936 -12.235 -26.050
338 HZ2 LYS 42 2HZ LYS 42 58.634 -12.247 -25.987
339 HZ3 LYS 42 3HZ LYS 42 57.763 -10.979 -25.266
340 HA PRO 43 HA PRO 43 59.616 -11.959 -15.498
341 HB2 PRO 43 1HB PRO 43 62.343 -11.574 -15.958
342 HB3 PRO 43 2HB PRO 43 61.592 -13.100 -15.464
343 HG2 PRO 43 1HG PRO 43 62.439 -12.200 -18.159
344 HG3 PRO 43 2HG PRO 43 62.513 -13.813 -17.426
345 HD2 PRO 43 1HD PRO 43 60.620 -13.186 -19.246
346 HD3 PRO 43 2HD PRO 43 60.280 -14.283 -17.889
347 H GLY 44 H GLY 44 59.938 -9.971 -14.509
348 HA2 GLY 44 1HA GLY 44 59.345 -7.650 -15.939
349 HA3 GLY 44 2HA GLY 44 60.013 -7.684 -14.314
350 H THR 45 H THR 45 62.465 -9.140 -15.362
351 HA THR 45 HA THR 45 64.148 -6.923 -15.600
352 HB THR 45 HB THR 45 64.699 -9.706 -16.647
353 HG1 THR 45 HG1 THR 45 63.946 -9.615 -14.458
354 HG21 THR 45 1HG2 THR 45 66.364 -7.305 -15.949
355 HG22 THR 45 2HG2 THR 45 66.499 -8.388 -17.335
356 HG23 THR 45 3HG2 THR 45 67.039 -8.922 -15.743
357 H HIS 46 H HIS 46 62.344 -8.604 -18.090
358 HA HIS 46 HA HIS 46 63.810 -7.163 -20.195
359 HB2 HIS 46 1HB HIS 46 63.411 -9.588 -20.476
360 HB3 HIS 46 2HB HIS 46 61.683 -9.297 -20.411
361 HD1 HIS 46 HD1 HIS 46 64.649 -8.069 -22.488
362 HD2 HIS 46 HD2 HIS 46 60.616 -9.028 -22.932
363 HE1 HIS 46 HE1 HIS 46 64.119 -7.806 -24.948
Start of MODEL 7
1 H ARG 1 3H ARG 1 18.748 29.761 17.863
2 HA ARG 1 HA ARG 1 19.878 28.202 18.925
3 HB2 ARG 1 1HB ARG 1 18.429 26.328 17.030
4 HB3 ARG 1 2HB ARG 1 19.239 25.840 18.519
5 HG2 ARG 1 1HG ARG 1 17.740 27.370 19.795
6 HG3 ARG 1 2HG ARG 1 16.883 27.735 18.298
7 HD2 ARG 1 1HD ARG 1 16.452 25.260 18.042
8 HD3 ARG 1 2HD ARG 1 17.114 25.041 19.658
9 HE ARG 1 HE ARG 1 15.198 26.045 20.551
10 HH11 ARG 1 1HH1 ARG 1 15.132 26.291 17.049
11 HH12 ARG 1 2HH1 ARG 1 13.466 26.765 17.015
12 HH21 ARG 1 1HH2 ARG 1 13.057 26.659 20.443
13 HH22 ARG 1 2HH2 ARG 1 12.308 26.970 18.913
14 H SER 2 H SER 2 22.022 28.418 18.548
15 HA SER 2 HA SER 2 23.355 28.043 16.117
16 HB2 SER 2 1HB SER 2 25.394 28.013 17.418
17 HB3 SER 2 2HB SER 2 24.288 29.190 18.118
18 HG SER 2 HG SER 2 24.588 28.072 19.879
19 H LEU 3 H LEU 3 22.272 25.663 18.440
20 HA LEU 3 HA LEU 3 23.998 23.541 17.885
21 HB2 LEU 3 1HB LEU 3 22.309 23.612 19.711
22 HB3 LEU 3 2HB LEU 3 21.045 23.365 18.508
23 HG LEU 3 HG LEU 3 22.229 21.246 17.815
24 HD11 LEU 3 1HD1 LEU 3 23.910 22.029 20.201
25 HD12 LEU 3 2HD1 LEU 3 24.453 21.582 18.584
26 HD13 LEU 3 3HD1 LEU 3 23.788 20.354 19.662
27 HD21 LEU 3 1HD2 LEU 3 20.298 21.127 19.290
28 HD22 LEU 3 2HD2 LEU 3 21.299 21.516 20.689
29 HD23 LEU 3 3HD2 LEU 3 21.509 19.976 19.854
30 H LEU 4 H LEU 4 21.439 24.857 15.911
31 HA LEU 4 HA LEU 4 20.734 22.605 14.395
32 HB2 LEU 4 1HB LEU 4 20.853 25.496 13.514
33 HB3 LEU 4 2HB LEU 4 19.952 24.209 12.714
34 HG LEU 4 HG LEU 4 19.505 25.092 15.581
35 HD11 LEU 4 1HD1 LEU 4 18.774 26.869 14.137
36 HD12 LEU 4 2HD1 LEU 4 17.332 25.966 14.599
37 HD13 LEU 4 3HD1 LEU 4 18.047 25.729 13.004
38 HD21 LEU 4 1HD2 LEU 4 18.819 22.823 15.365
39 HD22 LEU 4 2HD2 LEU 4 18.175 23.092 13.745
40 HD23 LEU 4 3HD2 LEU 4 17.342 23.761 15.147
41 H GLU 5 H GLU 5 23.609 24.577 14.273
42 HA GLU 5 HA GLU 5 24.337 23.979 11.578
43 HB2 GLU 5 1HB GLU 5 26.009 24.890 13.925
44 HB3 GLU 5 2HB GLU 5 26.574 24.824 12.255
45 HG2 GLU 5 1HG GLU 5 24.721 26.348 11.597
46 HG3 GLU 5 2HG GLU 5 24.240 26.462 13.285
47 H GLY 6 H GLY 6 24.758 22.236 14.584
48 HA2 GLY 6 1HA GLY 6 25.472 20.082 14.962
49 HA3 GLY 6 2HA GLY 6 25.461 19.847 13.220
50 H GLU 7 H GLU 7 27.400 22.387 14.682
51 HA GLU 7 HA GLU 7 29.752 21.626 13.375
52 HB2 GLU 7 1HB GLU 7 29.397 23.282 15.880
53 HB3 GLU 7 2HB GLU 7 30.889 23.180 14.943
54 HG2 GLU 7 1HG GLU 7 29.651 23.984 12.941
55 HG3 GLU 7 2HG GLU 7 28.208 24.162 13.928
56 H ILE 8 H ILE 8 28.441 20.490 16.424
57 HA ILE 8 HA ILE 8 30.760 19.578 17.666
58 HB ILE 8 HB ILE 8 28.000 18.329 17.694
59 HG12 ILE 8 1HG1 ILE 8 29.262 20.312 19.609
60 HG13 ILE 8 2HG1 ILE 8 28.140 20.765 18.326
61 HG21 ILE 8 1HG2 ILE 8 29.813 16.860 18.594
62 HG22 ILE 8 2HG2 ILE 8 28.660 17.362 19.830
63 HG23 ILE 8 3HG2 ILE 8 30.240 18.140 19.729
64 HD11 ILE 8 1HD1 ILE 8 26.511 19.080 19.329
65 HD12 ILE 8 2HD1 ILE 8 26.815 20.520 20.301
66 HD13 ILE 8 3HD1 ILE 8 27.596 18.995 20.717
67 HA PRO 9 HA PRO 9 32.111 16.279 14.928
68 HB2 PRO 9 1HB PRO 9 32.856 14.739 17.360
69 HB3 PRO 9 2HB PRO 9 33.852 15.211 15.970
70 HG2 PRO 9 1HG PRO 9 34.115 16.404 18.328
71 HG3 PRO 9 2HG PRO 9 34.273 17.305 16.808
72 HD2 PRO 9 1HD PRO 9 31.979 17.254 18.730
73 HD3 PRO 9 2HD PRO 9 32.618 18.609 17.772
74 H PHE 10 H PHE 10 31.215 14.442 14.060
75 HA PHE 10 HA PHE 10 28.748 13.435 14.881
76 HB2 PHE 10 1HB PHE 10 30.926 12.175 13.217
77 HB3 PHE 10 2HB PHE 10 29.340 11.458 13.431
78 HD1 PHE 10 HD1 PHE 10 31.253 14.189 11.886
79 HD2 PHE 10 HD2 PHE 10 27.358 12.449 12.393
80 HE1 PHE 10 HE1 PHE 10 30.393 15.569 10.015
81 HE2 PHE 10 HE2 PHE 10 26.498 13.830 10.520
82 HZ PHE 10 HZ PHE 10 28.015 15.389 9.331
83 HA PRO 11 HA PRO 11 29.647 10.984 18.426
84 HB2 PRO 11 1HB PRO 11 28.008 8.765 17.299
85 HB3 PRO 11 2HB PRO 11 27.847 9.611 18.848
86 HG2 PRO 11 1HG PRO 11 26.158 10.044 16.836
87 HG3 PRO 11 2HG PRO 11 26.655 11.341 17.939
88 HD2 PRO 11 1HD PRO 11 27.514 10.842 15.121
89 HD3 PRO 11 2HD PRO 11 27.306 12.381 15.984
90 HA PRO 12 HA PRO 12 33.119 8.632 17.088
91 HB2 PRO 12 1HB PRO 12 33.427 6.805 19.166
92 HB3 PRO 12 2HB PRO 12 34.026 8.472 19.176
93 HG2 PRO 12 1HG PRO 12 31.586 7.335 20.421
94 HG3 PRO 12 2HG PRO 12 32.677 8.602 21.011
95 HD2 PRO 12 1HD PRO 12 30.260 9.190 19.939
96 HD3 PRO 12 2HD PRO 12 31.663 10.266 19.748
97 H THR 13 H THR 13 30.274 6.808 18.175
98 HA THR 13 HA THR 13 30.953 4.313 17.060
99 HB THR 13 HB THR 13 28.549 3.840 17.090
100 HG1 THR 13 HG1 THR 13 27.411 5.521 16.542
101 HG21 THR 13 1HG2 THR 13 29.972 3.999 19.221
102 HG22 THR 13 2HG2 THR 13 28.223 4.079 19.430
103 HG23 THR 13 3HG2 THR 13 29.187 5.554 19.493
104 H SER 14 H SER 14 29.423 7.179 15.600
105 HA SER 14 HA SER 14 28.907 6.033 13.069
106 HB2 SER 14 1HB SER 14 28.673 8.260 12.261
107 HB3 SER 14 2HB SER 14 28.112 8.291 13.929
108 HG SER 14 HG SER 14 30.332 9.443 12.752
109 H ILE 15 H ILE 15 31.796 7.582 14.426
110 HA ILE 15 HA ILE 15 33.364 7.574 12.086
111 HB ILE 15 HB ILE 15 34.343 7.133 14.914
112 HG12 ILE 15 1HG1 ILE 15 32.934 9.140 14.820
113 HG13 ILE 15 2HG1 ILE 15 34.625 9.591 14.991
114 HG21 ILE 15 1HG2 ILE 15 36.339 8.420 13.909
115 HG22 ILE 15 2HG2 ILE 15 35.641 8.015 12.341
116 HG23 ILE 15 3HG2 ILE 15 36.141 6.731 13.441
117 HD11 ILE 15 1HD1 ILE 15 34.736 9.992 12.530
118 HD12 ILE 15 2HD1 ILE 15 33.552 11.024 13.328
119 HD13 ILE 15 3HD1 ILE 15 33.017 9.613 12.419
120 H LEU 16 H LEU 16 32.692 5.000 14.431
121 HA LEU 16 HA LEU 16 34.536 3.105 13.457
122 HB2 LEU 16 1HB LEU 16 33.180 2.840 15.536
123 HB3 LEU 16 2HB LEU 16 31.763 2.540 14.530
124 HG LEU 16 HG LEU 16 33.067 0.660 13.433
125 HD11 LEU 16 1HD1 LEU 16 35.321 1.161 13.956
126 HD12 LEU 16 2HD1 LEU 16 34.933 -0.209 14.997
127 HD13 LEU 16 3HD1 LEU 16 34.955 1.424 15.661
128 HD21 LEU 16 1HD2 LEU 16 32.388 0.608 16.382
129 HD22 LEU 16 2HD2 LEU 16 32.830 -0.845 15.486
130 HD23 LEU 16 3HD2 LEU 16 31.391 0.066 15.033
131 H LEU 17 H LEU 17 31.270 3.957 12.352
132 HA LEU 17 HA LEU 17 31.025 1.994 10.349
133 HB2 LEU 17 1HB LEU 17 29.391 3.909 11.220
134 HB3 LEU 17 2HB LEU 17 30.036 4.769 9.831
135 HG LEU 17 HG LEU 17 28.000 3.640 9.175
136 HD11 LEU 17 1HD1 LEU 17 28.740 2.619 7.226
137 HD12 LEU 17 2HD1 LEU 17 30.091 1.823 8.032
138 HD13 LEU 17 3HD1 LEU 17 30.163 3.551 7.690
139 HD21 LEU 17 1HD2 LEU 17 28.399 1.852 11.063
140 HD22 LEU 17 2HD2 LEU 17 29.180 0.948 9.766
141 HD23 LEU 17 3HD2 LEU 17 27.487 1.418 9.617
142 H LEU 18 H LEU 18 32.635 5.160 10.300
143 HA LEU 18 HA LEU 18 33.376 5.141 7.580
144 HB2 LEU 18 1HB LEU 18 34.965 6.311 9.874
145 HB3 LEU 18 2HB LEU 18 35.113 6.732 8.173
146 HG LEU 18 HG LEU 18 32.582 7.074 9.807
147 HD11 LEU 18 1HD1 LEU 18 34.678 8.563 10.294
148 HD12 LEU 18 2HD1 LEU 18 33.115 9.344 10.048
149 HD13 LEU 18 3HD1 LEU 18 34.297 9.304 8.739
150 HD21 LEU 18 1HD2 LEU 18 33.372 7.659 6.956
151 HD22 LEU 18 2HD2 LEU 18 32.106 8.599 7.745
152 HD23 LEU 18 3HD2 LEU 18 31.920 6.856 7.554
153 H LEU 19 H LEU 19 34.850 3.577 10.385
154 HA LEU 19 HA LEU 19 37.231 2.705 9.177
155 HB2 LEU 19 1HB LEU 19 36.554 2.528 11.614
156 HB3 LEU 19 2HB LEU 19 35.624 1.102 11.165
157 HG LEU 19 HG LEU 19 38.484 1.244 10.280
158 HD11 LEU 19 1HD1 LEU 19 37.588 0.567 13.097
159 HD12 LEU 19 2HD1 LEU 19 38.635 1.905 12.627
160 HD13 LEU 19 3HD1 LEU 19 39.195 0.243 12.447
161 HD21 LEU 19 1HD2 LEU 19 38.131 -1.268 11.075
162 HD22 LEU 19 2HD2 LEU 19 37.484 -0.722 9.532
163 HD23 LEU 19 3HD2 LEU 19 36.426 -0.839 10.937
164 H ALA 20 H ALA 20 33.971 1.328 9.110
165 HA ALA 20 HA ALA 20 34.584 -1.023 7.676
166 HB1 ALA 20 1HB ALA 20 32.353 -0.252 8.781
167 HB2 ALA 20 2HB ALA 20 32.288 -1.255 7.332
168 HB3 ALA 20 3HB ALA 20 32.030 0.486 7.211
169 H CYS 21 H CYS 21 33.889 2.267 6.572
170 HA CYS 21 HA CYS 21 33.610 1.647 3.831
171 HB2 CYS 21 1HB CYS 21 34.491 4.211 5.173
172 HB3 CYS 21 2HB CYS 21 34.068 4.068 3.467
173 HG CYS 21 HG CYS 21 31.943 3.238 5.591
174 H ILE 22 H ILE 22 36.441 2.755 5.692
175 HA ILE 22 HA ILE 22 38.194 2.841 3.475
176 HB ILE 22 HB ILE 22 40.032 2.757 5.121
177 HG12 ILE 22 1HG1 ILE 22 37.842 2.512 7.187
178 HG13 ILE 22 2HG1 ILE 22 38.827 1.142 6.669
179 HG21 ILE 22 1HG2 ILE 22 39.541 4.869 6.093
180 HG22 ILE 22 2HG2 ILE 22 37.811 4.529 6.146
181 HG23 ILE 22 3HG2 ILE 22 38.604 4.827 4.599
182 HD11 ILE 22 1HD1 ILE 22 39.921 3.720 7.833
183 HD12 ILE 22 2HD1 ILE 22 40.861 2.295 7.389
184 HD13 ILE 22 3HD1 ILE 22 39.720 2.216 8.732
185 H PHE 23 H PHE 23 37.244 0.151 5.591
186 HA PHE 23 HA PHE 23 39.095 -1.738 4.669
187 HB2 PHE 23 1HB PHE 23 37.476 -2.114 6.507
188 HB3 PHE 23 2HB PHE 23 36.184 -2.209 5.325
189 HD1 PHE 23 HD1 PHE 23 39.232 -3.863 6.619
190 HD2 PHE 23 HD2 PHE 23 35.837 -4.194 4.006
191 HE1 PHE 23 HE1 PHE 23 39.675 -6.288 6.349
192 HE2 PHE 23 HE2 PHE 23 36.281 -6.619 3.738
193 HZ PHE 23 HZ PHE 23 38.200 -7.666 4.909
194 H LEU 24 H LEU 24 36.011 -0.689 3.208
195 HA LEU 24 HA LEU 24 36.056 -2.393 0.985
196 HB2 LEU 24 1HB LEU 24 34.209 -0.824 1.670
197 HB3 LEU 24 2HB LEU 24 35.146 0.489 0.962
198 HG LEU 24 HG LEU 24 34.655 -1.951 -0.711
199 HD11 LEU 24 1HD1 LEU 24 32.446 -1.376 0.306
200 HD12 LEU 24 2HD1 LEU 24 32.485 -1.119 -1.438
201 HD13 LEU 24 3HD1 LEU 24 32.609 0.257 -0.342
202 HD21 LEU 24 1HD2 LEU 24 34.333 0.101 -2.371
203 HD22 LEU 24 2HD2 LEU 24 35.945 -0.402 -1.874
204 HD23 LEU 24 3HD2 LEU 24 35.176 0.979 -1.095
205 H ILE 25 H ILE 25 37.690 0.729 1.489
206 HA ILE 25 HA ILE 25 38.857 0.934 -1.057
207 HB ILE 25 HB ILE 25 40.156 1.799 1.531
208 HG12 ILE 25 1HG1 ILE 25 37.861 2.674 1.410
209 HG13 ILE 25 2HG1 ILE 25 39.027 3.966 1.148
210 HG21 ILE 25 1HG2 ILE 25 41.186 3.514 0.076
211 HG22 ILE 25 2HG2 ILE 25 40.410 2.772 -1.324
212 HG23 ILE 25 3HG2 ILE 25 41.630 1.880 -0.415
213 HD11 ILE 25 1HD1 ILE 25 37.466 2.499 -1.003
214 HD12 ILE 25 2HD1 ILE 25 38.681 3.739 -1.313
215 HD13 ILE 25 3HD1 ILE 25 37.194 4.154 -0.462
216 H ALA 26 H ALA 26 39.806 -1.033 1.708
217 HA ALA 26 HA ALA 26 42.386 -1.715 0.834
218 HB1 ALA 26 1HB ALA 26 42.391 -3.284 2.527
219 HB2 ALA 26 2HB ALA 26 40.709 -3.739 2.257
220 HB3 ALA 26 3HB ALA 26 41.093 -2.226 3.077
221 H ILE 27 H ILE 27 39.325 -3.552 0.392
222 HA ILE 27 HA ILE 27 40.489 -5.515 -1.269
223 HB ILE 27 HB ILE 27 38.284 -5.799 -0.219
224 HG12 ILE 27 1HG1 ILE 27 37.995 -5.965 -3.219
225 HG13 ILE 27 2HG1 ILE 27 39.083 -7.027 -2.326
226 HG21 ILE 27 1HG2 ILE 27 37.223 -3.694 -0.451
227 HG22 ILE 27 2HG2 ILE 27 36.318 -4.785 -1.497
228 HG23 ILE 27 3HG2 ILE 27 37.479 -3.660 -2.196
229 HD11 ILE 27 1HD1 ILE 27 36.954 -8.160 -2.574
230 HD12 ILE 27 2HD1 ILE 27 36.089 -6.758 -1.941
231 HD13 ILE 27 3HD1 ILE 27 37.141 -7.698 -0.882
232 H LEU 28 H LEU 28 39.256 -2.291 -2.028
233 HA LEU 28 HA LEU 28 39.367 -2.472 -4.835
234 HB2 LEU 28 1HB LEU 28 38.462 -0.564 -3.448
235 HB3 LEU 28 2HB LEU 28 40.126 -0.047 -3.200
236 HG LEU 28 HG LEU 28 39.234 -0.577 -6.013
237 HD11 LEU 28 1HD1 LEU 28 38.577 1.961 -4.485
238 HD12 LEU 28 2HD1 LEU 28 37.400 0.773 -5.042
239 HD13 LEU 28 3HD1 LEU 28 38.334 1.702 -6.213
240 HD21 LEU 28 1HD2 LEU 28 41.469 0.074 -5.958
241 HD22 LEU 28 2HD2 LEU 28 41.237 1.123 -4.563
242 HD23 LEU 28 3HD2 LEU 28 40.692 1.641 -6.157
243 H ALA 29 H ALA 29 41.922 -1.918 -2.445
244 HA ALA 29 HA ALA 29 44.023 -1.364 -4.227
245 HB1 ALA 29 1HB ALA 29 44.522 -3.041 -1.801
246 HB2 ALA 29 2HB ALA 29 43.915 -1.399 -1.590
247 HB3 ALA 29 3HB ALA 29 45.442 -1.674 -2.428
248 H ALA 30 H ALA 30 42.671 -4.444 -3.120
249 HA ALA 30 HA ALA 30 44.592 -6.147 -4.274
250 HB1 ALA 30 1HB ALA 30 42.504 -6.635 -2.728
251 HB2 ALA 30 2HB ALA 30 43.132 -7.878 -3.810
252 HB3 ALA 30 3HB ALA 30 41.710 -6.943 -4.272
253 H SER 31 H SER 31 41.619 -4.751 -5.642
254 HA SER 31 HA SER 31 41.803 -5.956 -8.178
255 HB2 SER 31 1HB SER 31 40.243 -4.370 -8.933
256 HB3 SER 31 2HB SER 31 39.892 -4.536 -7.217
257 HG SER 31 HG SER 31 40.249 -2.470 -7.123
258 H ALA 32 H ALA 32 43.419 -3.081 -6.882
259 HA ALA 32 HA ALA 32 44.553 -2.159 -9.282
260 HB1 ALA 32 1HB ALA 32 45.998 -0.866 -7.950
261 HB2 ALA 32 2HB ALA 32 45.998 -2.052 -6.644
262 HB3 ALA 32 3HB ALA 32 44.564 -1.069 -6.943
263 H LEU 33 H LEU 33 45.650 -4.648 -6.995
264 HA LEU 33 HA LEU 33 48.170 -5.110 -8.173
265 HB2 LEU 33 1HB LEU 33 46.317 -6.732 -6.472
266 HB3 LEU 33 2HB LEU 33 47.663 -7.554 -7.247
267 HG LEU 33 HG LEU 33 48.192 -6.792 -4.947
268 HD11 LEU 33 1HD1 LEU 33 49.857 -5.142 -6.822
269 HD12 LEU 33 2HD1 LEU 33 49.865 -6.901 -6.938
270 HD13 LEU 33 3HD1 LEU 33 50.368 -6.115 -5.442
271 HD21 LEU 33 1HD2 LEU 33 46.830 -4.746 -4.900
272 HD22 LEU 33 2HD2 LEU 33 47.881 -4.005 -6.107
273 HD23 LEU 33 3HD2 LEU 33 48.510 -4.389 -4.506
274 H TRP 34 H TRP 34 44.962 -6.435 -8.953
275 HA TRP 34 HA TRP 34 45.806 -8.152 -11.028
276 HB2 TRP 34 1HB TRP 34 43.241 -6.652 -10.600
277 HB3 TRP 34 2HB TRP 34 43.498 -7.651 -12.015
278 HD1 TRP 34 HD1 TRP 34 42.261 -7.804 -8.573
279 HE1 TRP 34 HE1 TRP 34 41.985 -10.245 -7.800
280 HE3 TRP 34 HE3 TRP 34 44.843 -10.194 -12.271
281 HZ2 TRP 34 HZ2 TRP 34 42.759 -12.872 -8.640
282 HZ3 TRP 34 HZ3 TRP 34 45.060 -12.659 -12.262
283 HH2 TRP 34 HH2 TRP 34 44.024 -14.002 -10.455
284 H ALA 35 H ALA 35 45.309 -4.663 -10.995
285 HA ALA 35 HA ALA 35 45.602 -4.174 -13.749
286 HB1 ALA 35 1HB ALA 35 45.886 -1.950 -13.183
287 HB2 ALA 35 2HB ALA 35 46.859 -2.326 -11.760
288 HB3 ALA 35 3HB ALA 35 45.111 -2.558 -11.719
289 H ALA 36 H ALA 36 48.030 -4.628 -11.209
290 HA ALA 36 HA ALA 36 50.326 -4.210 -12.777
291 HB1 ALA 36 1HB ALA 36 50.281 -6.356 -10.690
292 HB2 ALA 36 2HB ALA 36 50.041 -4.676 -10.210
293 HB3 ALA 36 3HB ALA 36 51.525 -5.155 -11.034
294 H ALA 37 H ALA 37 48.333 -7.115 -12.351
295 HA ALA 37 HA ALA 37 49.881 -8.907 -13.842
296 HB1 ALA 37 1HB ALA 37 46.879 -8.917 -13.966
297 HB2 ALA 37 2HB ALA 37 47.725 -9.309 -12.469
298 HB3 ALA 37 3HB ALA 37 47.991 -10.285 -13.914
299 H TRP 38 H TRP 38 47.582 -6.462 -14.941
300 HA TRP 38 HA TRP 38 47.381 -7.146 -17.620
301 HB2 TRP 38 1HB TRP 38 46.126 -5.329 -16.484
302 HB3 TRP 38 2HB TRP 38 47.576 -4.346 -16.525
303 HD1 TRP 38 HD1 TRP 38 47.962 -2.933 -18.611
304 HE1 TRP 38 HE1 TRP 38 46.838 -2.746 -20.922
305 HE3 TRP 38 HE3 TRP 38 44.802 -6.937 -18.381
306 HZ2 TRP 38 HZ2 TRP 38 44.857 -4.116 -22.472
307 HZ3 TRP 38 HZ3 TRP 38 43.312 -7.473 -20.283
308 HH2 TRP 38 HH2 TRP 38 43.333 -6.071 -22.327
309 H HIS 39 H HIS 39 50.160 -5.842 -15.970
310 HA HIS 39 HA HIS 39 51.448 -4.501 -18.048
311 HB2 HIS 39 1HB HIS 39 52.617 -6.101 -15.775
312 HB3 HIS 39 2HB HIS 39 53.546 -5.041 -16.819
313 HD1 HIS 39 HD1 HIS 39 53.487 -4.451 -13.835
314 HD2 HIS 39 HD2 HIS 39 50.733 -2.828 -16.511
315 HE1 HIS 39 HE1 HIS 39 52.573 -2.361 -12.740
316 H GLY 40 H GLY 40 51.074 -7.953 -17.567
317 HA2 GLY 40 1HA GLY 40 51.713 -9.749 -18.857
318 HA3 GLY 40 2HA GLY 40 51.843 -8.603 -20.187
319 H GLN 41 H GLN 41 53.705 -9.576 -21.032
320 HA GLN 41 HA GLN 41 56.020 -10.271 -19.633
321 HB2 GLN 41 1HB GLN 41 55.723 -9.247 -22.466
322 HB3 GLN 41 2HB GLN 41 57.178 -10.005 -21.820
323 HG2 GLN 41 1HG GLN 41 55.943 -12.059 -21.348
324 HG3 GLN 41 2HG GLN 41 54.444 -11.310 -21.892
325 HE21 GLN 41 1HE2 GLN 41 55.460 -13.690 -23.121
326 HE22 GLN 41 2HE2 GLN 41 55.921 -13.313 -24.710
327 H LYS 42 H LYS 42 57.916 -9.195 -19.134
328 HA LYS 42 HA LYS 42 57.738 -6.563 -18.257
329 HB2 LYS 42 1HB LYS 42 60.191 -8.188 -18.967
330 HB3 LYS 42 2HB LYS 42 60.228 -6.663 -18.082
331 HG2 LYS 42 1HG LYS 42 59.136 -7.569 -16.214
332 HG3 LYS 42 2HG LYS 42 58.476 -8.920 -17.136
333 HD2 LYS 42 1HD LYS 42 60.224 -9.927 -15.937
334 HD3 LYS 42 2HD LYS 42 60.973 -9.584 -17.497
335 HE2 LYS 42 1HE LYS 42 61.999 -7.568 -16.630
336 HE3 LYS 42 2HE LYS 42 61.132 -7.734 -15.103
337 HZ1 LYS 42 1HZ LYS 42 62.993 -9.797 -16.133
338 HZ2 LYS 42 2HZ LYS 42 62.341 -9.669 -14.570
339 HZ3 LYS 42 3HZ LYS 42 63.492 -8.541 -15.108
340 HA PRO 43 HA PRO 43 58.143 -4.122 -21.942
341 HB2 PRO 43 1HB PRO 43 59.801 -2.065 -21.052
342 HB3 PRO 43 2HB PRO 43 58.042 -2.126 -20.839
343 HG2 PRO 43 1HG PRO 43 60.200 -2.811 -18.921
344 HG3 PRO 43 2HG PRO 43 58.640 -2.016 -18.637
345 HD2 PRO 43 1HD PRO 43 59.027 -4.610 -17.997
346 HD3 PRO 43 2HD PRO 43 57.459 -4.023 -18.601
347 H GLY 44 H GLY 44 59.525 -3.916 -23.695
348 HA2 GLY 44 1HA GLY 44 61.753 -5.585 -23.895
349 HA3 GLY 44 2HA GLY 44 61.381 -4.273 -25.009
350 H THR 45 H THR 45 63.970 -5.234 -23.854
351 HA THR 45 HA THR 45 64.995 -3.505 -21.917
352 HB THR 45 HB THR 45 66.205 -5.489 -22.662
353 HG1 THR 45 HG1 THR 45 68.045 -4.537 -22.300
354 HG21 THR 45 1HG2 THR 45 66.417 -3.962 -25.266
355 HG22 THR 45 2HG2 THR 45 65.661 -5.534 -25.006
356 HG23 THR 45 3HG2 THR 45 67.412 -5.366 -24.880
357 H HIS 46 H HIS 46 66.064 -1.545 -21.989
358 HA HIS 46 HA HIS 46 65.140 0.401 -23.774
359 HB2 HIS 46 1HB HIS 46 67.649 0.411 -22.092
360 HB3 HIS 46 2HB HIS 46 66.940 1.822 -22.855
361 HD1 HIS 46 HD1 HIS 46 66.550 -0.505 -19.962
362 HD2 HIS 46 HD2 HIS 46 64.549 2.774 -21.582
363 HE1 HIS 46 HE1 HIS 46 64.884 0.251 -18.213
Start of MODEL 8
1 H ARG 1 3H ARG 1 18.690 25.540 13.786
2 HA ARG 1 HA ARG 1 18.893 23.143 13.626
3 HB2 ARG 1 1HB ARG 1 21.431 24.572 14.476
4 HB3 ARG 1 2HB ARG 1 21.374 23.057 13.574
5 HG2 ARG 1 1HG ARG 1 20.088 24.213 11.779
6 HG3 ARG 1 2HG ARG 1 20.271 25.729 12.661
7 HD2 ARG 1 1HD ARG 1 22.767 25.386 12.569
8 HD3 ARG 1 2HD ARG 1 22.481 24.017 11.500
9 HE ARG 1 HE ARG 1 21.132 26.014 10.268
10 HH11 ARG 1 1HH1 ARG 1 24.420 25.845 11.486
11 HH12 ARG 1 2HH1 ARG 1 25.019 26.970 10.314
12 HH21 ARG 1 1HH2 ARG 1 21.961 27.457 8.783
13 HH22 ARG 1 2HH2 ARG 1 23.643 27.871 8.803
14 H SER 2 H SER 2 19.275 21.181 14.614
15 HA SER 2 HA SER 2 18.841 20.903 17.359
16 HB2 SER 2 1HB SER 2 18.499 19.110 15.677
17 HB3 SER 2 2HB SER 2 20.246 18.947 15.532
18 HG SER 2 HG SER 2 18.772 18.705 17.952
19 H LEU 3 H LEU 3 21.843 21.458 15.641
20 HA LEU 3 HA LEU 3 23.687 20.439 17.479
21 HB2 LEU 3 1HB LEU 3 23.968 22.900 15.742
22 HB3 LEU 3 2HB LEU 3 25.289 21.994 16.478
23 HG LEU 3 HG LEU 3 23.300 20.836 14.503
24 HD11 LEU 3 1HD1 LEU 3 25.272 20.836 12.959
25 HD12 LEU 3 2HD1 LEU 3 26.166 21.767 14.162
26 HD13 LEU 3 3HD1 LEU 3 24.738 22.461 13.393
27 HD21 LEU 3 1HD2 LEU 3 25.770 19.766 15.887
28 HD22 LEU 3 2HD2 LEU 3 25.117 19.028 14.423
29 HD23 LEU 3 3HD2 LEU 3 24.145 19.083 15.893
30 H LEU 4 H LEU 4 21.717 23.315 17.719
31 HA LEU 4 HA LEU 4 23.282 24.844 19.474
32 HB2 LEU 4 1HB LEU 4 20.352 24.649 18.897
33 HB3 LEU 4 2HB LEU 4 20.881 25.601 20.274
34 HG LEU 4 HG LEU 4 20.597 26.947 18.200
35 HD11 LEU 4 1HD1 LEU 4 22.433 28.301 18.617
36 HD12 LEU 4 2HD1 LEU 4 23.529 26.935 18.815
37 HD13 LEU 4 3HD1 LEU 4 22.375 27.332 20.088
38 HD21 LEU 4 1HD2 LEU 4 21.912 26.656 16.278
39 HD22 LEU 4 2HD2 LEU 4 21.498 25.001 16.722
40 HD23 LEU 4 3HD2 LEU 4 23.090 25.649 17.119
41 H GLU 5 H GLU 5 21.415 21.966 20.070
42 HA GLU 5 HA GLU 5 21.073 22.326 22.877
43 HB2 GLU 5 1HB GLU 5 19.693 20.814 21.457
44 HB3 GLU 5 2HB GLU 5 21.080 19.732 21.330
45 HG2 GLU 5 1HG GLU 5 21.133 19.536 23.802
46 HG3 GLU 5 2HG GLU 5 19.717 20.575 23.904
47 H GLY 6 H GLY 6 23.778 21.218 20.983
48 HA2 GLY 6 1HA GLY 6 25.947 20.816 21.672
49 HA3 GLY 6 2HA GLY 6 25.443 21.151 23.321
50 H GLU 7 H GLU 7 23.802 18.708 21.400
51 HA GLU 7 HA GLU 7 24.042 16.689 23.310
52 HB2 GLU 7 1HB GLU 7 23.684 16.434 20.315
53 HB3 GLU 7 2HB GLU 7 23.431 15.130 21.474
54 HG2 GLU 7 1HG GLU 7 21.716 16.526 22.620
55 HG3 GLU 7 2HG GLU 7 21.929 17.760 21.385
56 H ILE 8 H ILE 8 25.398 14.953 23.582
57 HA ILE 8 HA ILE 8 28.113 15.297 23.112
58 HB ILE 8 HB ILE 8 28.350 12.912 23.765
59 HG12 ILE 8 1HG1 ILE 8 25.334 12.871 23.961
60 HG13 ILE 8 2HG1 ILE 8 26.177 12.265 22.535
61 HG21 ILE 8 1HG2 ILE 8 26.473 14.706 25.313
62 HG22 ILE 8 2HG2 ILE 8 28.202 14.461 25.567
63 HG23 ILE 8 3HG2 ILE 8 27.060 13.177 25.966
64 HD11 ILE 8 1HD1 ILE 8 27.551 10.816 24.116
65 HD12 ILE 8 2HD1 ILE 8 25.851 10.373 23.962
66 HD13 ILE 8 3HD1 ILE 8 26.405 11.264 25.380
67 HA PRO 9 HA PRO 9 28.760 14.165 18.871
68 HB2 PRO 9 1HB PRO 9 31.057 12.479 19.733
69 HB3 PRO 9 2HB PRO 9 31.009 13.811 18.561
70 HG2 PRO 9 1HG PRO 9 32.104 14.115 20.964
71 HG3 PRO 9 2HG PRO 9 31.203 15.425 20.177
72 HD2 PRO 9 1HD PRO 9 30.354 13.653 22.431
73 HD3 PRO 9 2HD PRO 9 29.969 15.363 22.130
74 H PHE 10 H PHE 10 28.351 12.453 17.438
75 HA PHE 10 HA PHE 10 26.638 10.466 18.332
76 HB2 PHE 10 1HB PHE 10 27.091 9.362 16.090
77 HB3 PHE 10 2HB PHE 10 26.478 11.001 16.064
78 HD1 PHE 10 HD1 PHE 10 27.896 12.860 15.312
79 HD2 PHE 10 HD2 PHE 10 29.354 8.820 15.394
80 HE1 PHE 10 HE1 PHE 10 29.807 13.521 13.877
81 HE2 PHE 10 HE2 PHE 10 31.264 9.481 13.958
82 HZ PHE 10 HZ PHE 10 31.493 11.831 13.200
83 HA PRO 11 HA PRO 11 28.902 7.518 20.387
84 HB2 PRO 11 1HB PRO 11 27.803 5.292 18.731
85 HB3 PRO 11 2HB PRO 11 27.764 5.519 20.490
86 HG2 PRO 11 1HG PRO 11 25.610 5.913 18.987
87 HG3 PRO 11 2HG PRO 11 25.955 6.920 20.405
88 HD2 PRO 11 1HD PRO 11 26.233 7.597 17.512
89 HD3 PRO 11 2HD PRO 11 25.813 8.639 18.889
90 HA PRO 12 HA PRO 12 32.618 6.744 18.029
91 HB2 PRO 12 1HB PRO 12 33.225 4.470 19.843
92 HB3 PRO 12 2HB PRO 12 34.178 5.924 19.491
93 HG2 PRO 12 1HG PRO 12 32.907 5.588 21.813
94 HG3 PRO 12 2HG PRO 12 33.096 7.181 21.058
95 HD2 PRO 12 1HD PRO 12 30.667 5.442 21.194
96 HD3 PRO 12 2HD PRO 12 30.796 7.214 21.224
97 H THR 13 H THR 13 30.481 4.036 18.861
98 HA THR 13 HA THR 13 31.537 2.141 17.071
99 HB THR 13 HB THR 13 29.931 1.402 18.679
100 HG1 THR 13 HG1 THR 13 28.586 0.268 17.321
101 HG21 THR 13 1HG2 THR 13 28.602 3.376 19.030
102 HG22 THR 13 2HG2 THR 13 27.514 2.109 18.465
103 HG23 THR 13 3HG2 THR 13 28.047 3.371 17.356
104 H SER 14 H SER 14 29.247 4.809 16.523
105 HA SER 14 HA SER 14 28.660 4.216 13.826
106 HB2 SER 14 1HB SER 14 28.929 6.940 15.121
107 HB3 SER 14 2HB SER 14 28.087 6.581 13.617
108 HG SER 14 HG SER 14 27.421 5.950 16.270
109 H ILE 15 H ILE 15 31.321 6.038 15.324
110 HA ILE 15 HA ILE 15 32.596 6.831 12.937
111 HB ILE 15 HB ILE 15 33.940 6.098 15.552
112 HG12 ILE 15 1HG1 ILE 15 32.976 8.805 14.593
113 HG13 ILE 15 2HG1 ILE 15 32.067 7.796 15.720
114 HG21 ILE 15 1HG2 ILE 15 34.789 7.931 13.292
115 HG22 ILE 15 2HG2 ILE 15 35.476 6.342 13.625
116 HG23 ILE 15 3HG2 ILE 15 35.681 7.653 14.787
117 HD11 ILE 15 1HD1 ILE 15 34.719 9.160 16.124
118 HD12 ILE 15 2HD1 ILE 15 34.298 7.736 17.076
119 HD13 ILE 15 3HD1 ILE 15 33.292 9.181 17.161
120 H LEU 16 H LEU 16 32.683 3.756 14.696
121 HA LEU 16 HA LEU 16 34.781 2.540 13.265
122 HB2 LEU 16 1HB LEU 16 33.688 1.586 15.304
123 HB3 LEU 16 2HB LEU 16 32.305 1.150 14.300
124 HG LEU 16 HG LEU 16 33.951 -0.087 12.795
125 HD11 LEU 16 1HD1 LEU 16 36.052 0.803 13.434
126 HD12 LEU 16 2HD1 LEU 16 36.034 -0.814 14.136
127 HD13 LEU 16 3HD1 LEU 16 35.713 0.591 15.152
128 HD21 LEU 16 1HD2 LEU 16 32.523 -1.376 14.221
129 HD22 LEU 16 2HD2 LEU 16 33.441 -0.927 15.658
130 HD23 LEU 16 3HD2 LEU 16 34.151 -2.010 14.462
131 H LEU 17 H LEU 17 31.332 2.885 12.488
132 HA LEU 17 HA LEU 17 31.318 1.345 10.135
133 HB2 LEU 17 1HB LEU 17 29.296 2.340 11.203
134 HB3 LEU 17 2HB LEU 17 29.798 3.920 10.602
135 HG LEU 17 HG LEU 17 29.831 2.885 8.272
136 HD11 LEU 17 1HD1 LEU 17 29.893 0.553 8.738
137 HD12 LEU 17 2HD1 LEU 17 28.266 0.854 8.130
138 HD13 LEU 17 3HD1 LEU 17 28.539 0.665 9.862
139 HD21 LEU 17 1HD2 LEU 17 27.308 2.935 8.099
140 HD22 LEU 17 2HD2 LEU 17 28.013 4.343 8.893
141 HD23 LEU 17 3HD2 LEU 17 27.256 3.074 9.857
142 H LEU 18 H LEU 18 32.349 4.698 10.691
143 HA LEU 18 HA LEU 18 32.824 5.384 7.996
144 HB2 LEU 18 1HB LEU 18 32.882 6.971 9.942
145 HB3 LEU 18 2HB LEU 18 34.463 6.310 10.361
146 HG LEU 18 HG LEU 18 35.167 6.849 7.962
147 HD11 LEU 18 1HD1 LEU 18 33.115 7.202 6.844
148 HD12 LEU 18 2HD1 LEU 18 33.762 8.828 7.058
149 HD13 LEU 18 3HD1 LEU 18 32.493 8.237 8.129
150 HD21 LEU 18 1HD2 LEU 18 35.829 8.185 9.961
151 HD22 LEU 18 2HD2 LEU 18 34.381 9.169 9.754
152 HD23 LEU 18 3HD2 LEU 18 35.642 9.187 8.521
153 H LEU 19 H LEU 19 34.877 3.715 10.358
154 HA LEU 19 HA LEU 19 37.142 3.435 8.707
155 HB2 LEU 19 1HB LEU 19 36.102 1.841 11.024
156 HB3 LEU 19 2HB LEU 19 37.493 1.271 10.106
157 HG LEU 19 HG LEU 19 38.524 3.563 10.452
158 HD11 LEU 19 1HD1 LEU 19 36.717 4.957 11.029
159 HD12 LEU 19 2HD1 LEU 19 37.532 4.693 12.570
160 HD13 LEU 19 3HD1 LEU 19 36.070 3.789 12.181
161 HD21 LEU 19 1HD2 LEU 19 37.901 2.111 13.035
162 HD22 LEU 19 2HD2 LEU 19 39.370 2.997 12.623
163 HD23 LEU 19 3HD2 LEU 19 39.010 1.467 11.823
164 H ALA 20 H ALA 20 34.131 1.615 8.797
165 HA ALA 20 HA ALA 20 34.889 -0.523 7.135
166 HB1 ALA 20 1HB ALA 20 32.175 0.751 6.941
167 HB2 ALA 20 2HB ALA 20 32.663 -0.093 8.411
168 HB3 ALA 20 3HB ALA 20 32.606 -0.958 6.875
169 H CYS 21 H CYS 21 33.735 2.736 6.339
170 HA CYS 21 HA CYS 21 33.677 2.433 3.534
171 HB2 CYS 21 1HB CYS 21 34.353 4.879 5.185
172 HB3 CYS 21 2HB CYS 21 33.982 4.896 3.461
173 HG CYS 21 HG CYS 21 31.632 5.113 4.250
174 H ILE 22 H ILE 22 36.328 3.296 5.737
175 HA ILE 22 HA ILE 22 38.305 3.763 3.790
176 HB ILE 22 HB ILE 22 38.671 2.550 6.541
177 HG12 ILE 22 1HG1 ILE 22 38.816 5.452 5.670
178 HG13 ILE 22 2HG1 ILE 22 37.422 4.736 6.481
179 HG21 ILE 22 1HG2 ILE 22 40.596 4.106 4.785
180 HG22 ILE 22 2HG2 ILE 22 40.647 2.360 5.034
181 HG23 ILE 22 3HG2 ILE 22 40.939 3.452 6.386
182 HD11 ILE 22 1HD1 ILE 22 39.120 3.984 8.289
183 HD12 ILE 22 2HD1 ILE 22 38.664 5.687 8.249
184 HD13 ILE 22 3HD1 ILE 22 40.203 5.168 7.562
185 H PHE 23 H PHE 23 37.150 0.738 5.249
186 HA PHE 23 HA PHE 23 39.060 -0.990 4.145
187 HB2 PHE 23 1HB PHE 23 37.367 -1.648 5.833
188 HB3 PHE 23 2HB PHE 23 36.135 -1.577 4.588
189 HD1 PHE 23 HD1 PHE 23 36.007 -3.267 2.834
190 HD2 PHE 23 HD2 PHE 23 39.016 -3.444 5.894
191 HE1 PHE 23 HE1 PHE 23 36.490 -5.620 2.221
192 HE2 PHE 23 HE2 PHE 23 39.501 -5.797 5.280
193 HZ PHE 23 HZ PHE 23 38.238 -6.886 3.444
194 H LEU 24 H LEU 24 36.086 0.333 2.705
195 HA LEU 24 HA LEU 24 36.116 -1.156 0.336
196 HB2 LEU 24 1HB LEU 24 34.296 0.395 1.039
197 HB3 LEU 24 2HB LEU 24 35.334 1.753 0.609
198 HG LEU 24 HG LEU 24 35.516 0.722 -1.715
199 HD11 LEU 24 1HD1 LEU 24 33.513 -0.781 -2.246
200 HD12 LEU 24 2HD1 LEU 24 33.348 -1.004 -0.504
201 HD13 LEU 24 3HD1 LEU 24 34.819 -1.527 -1.325
202 HD21 LEU 24 1HD2 LEU 24 33.994 2.638 -1.039
203 HD22 LEU 24 2HD2 LEU 24 32.701 1.452 -0.868
204 HD23 LEU 24 3HD2 LEU 24 33.451 1.718 -2.442
205 H ILE 25 H ILE 25 37.864 1.840 1.137
206 HA ILE 25 HA ILE 25 39.187 2.101 -1.344
207 HB ILE 25 HB ILE 25 39.927 2.984 1.445
208 HG12 ILE 25 1HG1 ILE 25 39.539 5.234 0.197
209 HG13 ILE 25 2HG1 ILE 25 38.775 4.240 -1.038
210 HG21 ILE 25 1HG2 ILE 25 42.065 2.745 0.298
211 HG22 ILE 25 2HG2 ILE 25 41.643 4.456 0.350
212 HG23 ILE 25 3HG2 ILE 25 41.421 3.539 -1.139
213 HD11 ILE 25 1HD1 ILE 25 37.450 5.287 1.087
214 HD12 ILE 25 2HD1 ILE 25 37.887 3.710 1.742
215 HD13 ILE 25 3HD1 ILE 25 36.948 3.816 0.255
216 H ALA 26 H ALA 26 39.849 0.001 1.411
217 HA ALA 26 HA ALA 26 42.429 -0.816 0.658
218 HB1 ALA 26 1HB ALA 26 41.114 -1.274 2.839
219 HB2 ALA 26 2HB ALA 26 42.211 -2.522 2.249
220 HB3 ALA 26 3HB ALA 26 40.475 -2.677 1.983
221 H ILE 27 H ILE 27 39.295 -2.432 -0.002
222 HA ILE 27 HA ILE 27 40.419 -4.502 -1.544
223 HB ILE 27 HB ILE 27 38.133 -4.575 -0.617
224 HG12 ILE 27 1HG1 ILE 27 38.025 -4.868 -3.618
225 HG13 ILE 27 2HG1 ILE 27 38.992 -5.949 -2.613
226 HG21 ILE 27 1HG2 ILE 27 37.280 -2.386 -1.039
227 HG22 ILE 27 2HG2 ILE 27 36.328 -3.488 -2.030
228 HG23 ILE 27 3HG2 ILE 27 37.596 -2.517 -2.770
229 HD11 ILE 27 1HD1 ILE 27 36.561 -6.664 -3.163
230 HD12 ILE 27 2HD1 ILE 27 36.088 -5.439 -1.984
231 HD13 ILE 27 3HD1 ILE 27 37.101 -6.796 -1.489
232 H LEU 28 H LEU 28 39.465 -1.212 -2.438
233 HA LEU 28 HA LEU 28 39.694 -1.489 -5.230
234 HB2 LEU 28 1HB LEU 28 38.851 0.549 -4.065
235 HB3 LEU 28 2HB LEU 28 40.508 0.916 -3.583
236 HG LEU 28 HG LEU 28 41.136 0.848 -6.036
237 HD11 LEU 28 1HD1 LEU 28 39.019 1.322 -7.504
238 HD12 LEU 28 2HD1 LEU 28 38.153 0.493 -6.210
239 HD13 LEU 28 3HD1 LEU 28 39.425 -0.346 -7.099
240 HD21 LEU 28 1HD2 LEU 28 40.039 3.077 -6.526
241 HD22 LEU 28 2HD2 LEU 28 40.860 2.994 -4.967
242 HD23 LEU 28 3HD2 LEU 28 39.102 2.867 -5.046
243 H ALA 29 H ALA 29 42.170 -1.009 -2.738
244 HA ALA 29 HA ALA 29 44.387 -0.734 -4.450
245 HB1 ALA 29 1HB ALA 29 44.182 -0.571 -1.833
246 HB2 ALA 29 2HB ALA 29 45.706 -1.063 -2.573
247 HB3 ALA 29 3HB ALA 29 44.621 -2.278 -1.894
248 H ALA 30 H ALA 30 42.758 -3.621 -3.204
249 HA ALA 30 HA ALA 30 44.534 -5.546 -4.238
250 HB1 ALA 30 1HB ALA 30 42.917 -7.112 -3.719
251 HB2 ALA 30 2HB ALA 30 41.593 -6.079 -4.256
252 HB3 ALA 30 3HB ALA 30 42.384 -5.765 -2.713
253 H SER 31 H SER 31 41.781 -3.889 -5.746
254 HA SER 31 HA SER 31 41.770 -5.263 -8.188
255 HB2 SER 31 1HB SER 31 41.196 -2.324 -7.755
256 HB3 SER 31 2HB SER 31 40.650 -3.311 -9.108
257 HG SER 31 HG SER 31 39.074 -3.961 -7.885
258 H ALA 32 H ALA 32 43.758 -2.514 -7.118
259 HA ALA 32 HA ALA 32 45.037 -2.015 -9.572
260 HB1 ALA 32 1HB ALA 32 46.494 -1.807 -6.951
261 HB2 ALA 32 2HB ALA 32 45.161 -0.715 -7.322
262 HB3 ALA 32 3HB ALA 32 46.586 -0.750 -8.360
263 H LEU 33 H LEU 33 45.789 -4.327 -6.982
264 HA LEU 33 HA LEU 33 48.228 -5.272 -8.035
265 HB2 LEU 33 1HB LEU 33 46.148 -6.823 -6.473
266 HB3 LEU 33 2HB LEU 33 47.839 -7.275 -6.680
267 HG LEU 33 HG LEU 33 46.897 -4.705 -5.375
268 HD11 LEU 33 1HD1 LEU 33 47.614 -5.764 -3.270
269 HD12 LEU 33 2HD1 LEU 33 48.014 -7.244 -4.143
270 HD13 LEU 33 3HD1 LEU 33 46.337 -6.709 -4.033
271 HD21 LEU 33 1HD2 LEU 33 49.083 -4.390 -6.305
272 HD22 LEU 33 2HD2 LEU 33 49.607 -5.992 -5.789
273 HD23 LEU 33 3HD2 LEU 33 49.331 -4.727 -4.593
274 H TRP 34 H TRP 34 44.871 -6.228 -8.723
275 HA TRP 34 HA TRP 34 45.469 -8.325 -10.510
276 HB2 TRP 34 1HB TRP 34 43.141 -6.421 -10.427
277 HB3 TRP 34 2HB TRP 34 43.257 -7.728 -11.586
278 HD1 TRP 34 HD1 TRP 34 41.419 -7.100 -8.717
279 HE1 TRP 34 HE1 TRP 34 40.981 -9.184 -7.271
280 HE3 TRP 34 HE3 TRP 34 44.993 -10.237 -10.582
281 HZ2 TRP 34 HZ2 TRP 34 42.009 -11.835 -6.944
282 HZ3 TRP 34 HZ3 TRP 34 45.240 -12.531 -9.687
283 HH2 TRP 34 HH2 TRP 34 43.756 -13.336 -7.873
284 H ALA 35 H ALA 35 45.483 -4.833 -10.982
285 HA ALA 35 HA ALA 35 45.789 -4.790 -13.777
286 HB1 ALA 35 1HB ALA 35 45.577 -2.843 -12.014
287 HB2 ALA 35 2HB ALA 35 46.423 -2.575 -13.539
288 HB3 ALA 35 3HB ALA 35 47.340 -2.887 -12.064
289 H ALA 36 H ALA 36 48.186 -5.183 -11.195
290 HA ALA 36 HA ALA 36 50.469 -5.455 -12.825
291 HB1 ALA 36 1HB ALA 36 51.553 -6.226 -10.937
292 HB2 ALA 36 2HB ALA 36 50.161 -7.158 -10.387
293 HB3 ALA 36 3HB ALA 36 50.176 -5.404 -10.203
294 H ALA 37 H ALA 37 48.022 -7.828 -11.867
295 HA ALA 37 HA ALA 37 49.172 -10.122 -12.968
296 HB1 ALA 37 1HB ALA 37 47.067 -11.119 -12.774
297 HB2 ALA 37 2HB ALA 37 46.216 -9.610 -13.107
298 HB3 ALA 37 3HB ALA 37 47.022 -9.844 -11.556
299 H TRP 38 H TRP 38 47.411 -7.519 -14.559
300 HA TRP 38 HA TRP 38 46.931 -8.664 -17.037
301 HB2 TRP 38 1HB TRP 38 46.290 -6.354 -16.182
302 HB3 TRP 38 2HB TRP 38 47.888 -5.835 -16.684
303 HD1 TRP 38 HD1 TRP 38 48.269 -5.358 -19.201
304 HE1 TRP 38 HE1 TRP 38 46.736 -5.368 -21.273
305 HE3 TRP 38 HE3 TRP 38 44.150 -7.651 -17.239
306 HZ2 TRP 38 HZ2 TRP 38 44.105 -6.234 -22.004
307 HZ3 TRP 38 HZ3 TRP 38 42.149 -8.055 -18.639
308 HH2 TRP 38 HH2 TRP 38 42.118 -7.351 -21.015
309 H HIS 39 H HIS 39 50.012 -7.689 -15.696
310 HA HIS 39 HA HIS 39 51.502 -7.300 -18.025
311 HB2 HIS 39 1HB HIS 39 52.301 -6.840 -15.738
312 HB3 HIS 39 2HB HIS 39 52.417 -8.565 -15.445
313 HD1 HIS 39 HD1 HIS 39 53.781 -6.077 -18.009
314 HD2 HIS 39 HD2 HIS 39 54.961 -9.490 -15.924
315 HE1 HIS 39 HE1 HIS 39 56.191 -6.510 -18.650
316 H GLY 40 H GLY 40 50.258 -10.273 -16.701
317 HA2 GLY 40 1HA GLY 40 50.140 -12.327 -17.835
318 HA3 GLY 40 2HA GLY 40 51.381 -11.759 -18.951
319 H GLN 41 H GLN 41 51.523 -14.295 -17.875
320 HA GLN 41 HA GLN 41 52.892 -14.591 -15.456
321 HB2 GLN 41 1HB GLN 41 53.062 -16.301 -17.951
322 HB3 GLN 41 2HB GLN 41 53.565 -16.792 -16.332
323 HG2 GLN 41 1HG GLN 41 51.292 -16.507 -15.495
324 HG3 GLN 41 2HG GLN 41 50.760 -15.924 -17.069
325 HE21 GLN 41 1HE2 GLN 41 49.570 -18.224 -15.863
326 HE22 GLN 41 2HE2 GLN 41 49.980 -19.587 -16.789
327 H LYS 42 H LYS 42 55.086 -14.768 -14.931
328 HA LYS 42 HA LYS 42 56.716 -12.795 -16.021
329 HB2 LYS 42 1HB LYS 42 56.827 -13.916 -13.736
330 HB3 LYS 42 2HB LYS 42 57.788 -15.168 -14.523
331 HG2 LYS 42 1HG LYS 42 59.424 -13.670 -13.760
332 HG3 LYS 42 2HG LYS 42 59.202 -13.179 -15.439
333 HD2 LYS 42 1HD LYS 42 59.062 -11.126 -14.351
334 HD3 LYS 42 2HD LYS 42 57.361 -11.589 -14.425
335 HE2 LYS 42 1HE LYS 42 57.273 -12.145 -12.166
336 HE3 LYS 42 2HE LYS 42 59.008 -12.447 -12.066
337 HZ1 LYS 42 1HZ LYS 42 58.297 -10.360 -10.983
338 HZ2 LYS 42 2HZ LYS 42 57.802 -9.770 -12.497
339 HZ3 LYS 42 3HZ LYS 42 59.440 -10.118 -12.213
340 HA PRO 43 HA PRO 43 59.045 -16.272 -18.610
341 HB2 PRO 43 1HB PRO 43 56.505 -17.533 -19.562
342 HB3 PRO 43 2HB PRO 43 58.117 -18.251 -19.363
343 HG2 PRO 43 1HG PRO 43 56.176 -18.722 -17.617
344 HG3 PRO 43 2HG PRO 43 57.863 -18.536 -17.101
345 HD2 PRO 43 1HD PRO 43 55.591 -16.641 -16.785
346 HD3 PRO 43 2HD PRO 43 57.020 -16.869 -15.759
347 H GLY 44 H GLY 44 59.481 -15.613 -20.695
348 HA2 GLY 44 1HA GLY 44 58.274 -13.319 -21.738
349 HA3 GLY 44 2HA GLY 44 59.310 -14.413 -22.651
350 H THR 45 H THR 45 56.771 -12.957 -23.353
351 HA THR 45 HA THR 45 54.597 -14.697 -23.596
352 HB THR 45 HB THR 45 53.857 -13.235 -25.425
353 HG1 THR 45 HG1 THR 45 55.352 -11.521 -25.991
354 HG21 THR 45 1HG2 THR 45 53.528 -12.400 -23.180
355 HG22 THR 45 2HG2 THR 45 54.059 -11.052 -24.188
356 HG23 THR 45 3HG2 THR 45 55.197 -11.840 -23.095
357 H HIS 46 H HIS 46 53.930 -16.129 -25.186
358 HA HIS 46 HA HIS 46 56.083 -17.167 -26.915
359 HB2 HIS 46 1HB HIS 46 54.778 -19.218 -27.008
360 HB3 HIS 46 2HB HIS 46 55.094 -18.761 -25.345
361 HD1 HIS 46 HD1 HIS 46 52.310 -18.660 -27.926
362 HD2 HIS 46 HD2 HIS 46 52.801 -18.499 -23.790
363 HE1 HIS 46 HE1 HIS 46 49.986 -18.740 -26.927
Start of MODEL 9
1 H ARG 1 3H ARG 1 25.337 11.141 28.829
2 HA ARG 1 HA ARG 1 27.573 9.353 28.224
3 HB2 ARG 1 1HB ARG 1 25.122 10.318 26.720
4 HB3 ARG 1 2HB ARG 1 26.273 9.127 26.113
5 HG2 ARG 1 1HG ARG 1 25.792 7.698 28.099
6 HG3 ARG 1 2HG ARG 1 24.567 8.862 28.604
7 HD2 ARG 1 1HD ARG 1 23.445 8.536 26.374
8 HD3 ARG 1 2HD ARG 1 24.587 7.234 26.052
9 HE ARG 1 HE ARG 1 22.370 7.188 27.948
10 HH11 ARG 1 1HH1 ARG 1 25.282 5.584 26.817
11 HH12 ARG 1 2HH1 ARG 1 24.842 4.067 27.527
12 HH21 ARG 1 1HH2 ARG 1 21.858 5.208 28.840
13 HH22 ARG 1 2HH2 ARG 1 22.928 3.859 28.657
14 H SER 2 H SER 2 28.559 9.757 26.020
15 HA SER 2 HA SER 2 30.012 12.143 26.003
16 HB2 SER 2 1HB SER 2 29.442 10.314 23.664
17 HB3 SER 2 2HB SER 2 30.751 11.485 23.771
18 HG SER 2 HG SER 2 30.590 8.978 24.756
19 H LEU 3 H LEU 3 26.851 11.478 24.656
20 HA LEU 3 HA LEU 3 26.716 13.424 22.655
21 HB2 LEU 3 1HB LEU 3 24.495 12.498 24.487
22 HB3 LEU 3 2HB LEU 3 24.289 13.301 22.930
23 HG LEU 3 HG LEU 3 25.694 10.642 23.331
24 HD11 LEU 3 1HD1 LEU 3 23.666 9.758 22.121
25 HD12 LEU 3 2HD1 LEU 3 22.920 11.342 22.330
26 HD13 LEU 3 3HD1 LEU 3 23.325 10.365 23.741
27 HD21 LEU 3 1HD2 LEU 3 25.036 12.344 20.922
28 HD22 LEU 3 2HD2 LEU 3 25.305 10.607 20.774
29 HD23 LEU 3 3HD2 LEU 3 26.592 11.650 21.379
30 H LEU 4 H LEU 4 26.664 13.843 26.120
31 HA LEU 4 HA LEU 4 25.266 16.265 26.333
32 HB2 LEU 4 1HB LEU 4 25.986 14.824 28.234
33 HB3 LEU 4 2HB LEU 4 27.639 15.385 27.987
34 HG LEU 4 HG LEU 4 26.782 17.749 28.265
35 HD11 LEU 4 1HD1 LEU 4 24.456 17.537 27.819
36 HD12 LEU 4 2HD1 LEU 4 24.557 17.823 29.557
37 HD13 LEU 4 3HD1 LEU 4 24.283 16.191 28.946
38 HD21 LEU 4 1HD2 LEU 4 26.505 15.732 30.506
39 HD22 LEU 4 2HD2 LEU 4 26.442 17.474 30.775
40 HD23 LEU 4 3HD2 LEU 4 27.906 16.735 30.128
41 H GLU 5 H GLU 5 28.474 15.631 25.145
42 HA GLU 5 HA GLU 5 29.578 18.222 25.568
43 HB2 GLU 5 1HB GLU 5 30.886 16.120 25.227
44 HB3 GLU 5 2HB GLU 5 30.416 16.157 23.528
45 HG2 GLU 5 1HG GLU 5 31.444 18.412 23.319
46 HG3 GLU 5 2HG GLU 5 31.966 18.311 24.995
47 H GLY 6 H GLY 6 27.410 17.017 23.145
48 HA2 GLY 6 1HA GLY 6 26.292 18.645 21.716
49 HA3 GLY 6 2HA GLY 6 27.825 19.482 21.558
50 H GLU 7 H GLU 7 28.571 16.248 21.361
51 HA GLU 7 HA GLU 7 29.228 16.219 18.650
52 HB2 GLU 7 1HB GLU 7 30.062 14.626 20.402
53 HB3 GLU 7 2HB GLU 7 28.502 13.806 20.325
54 HG2 GLU 7 1HG GLU 7 28.852 13.432 17.890
55 HG3 GLU 7 2HG GLU 7 30.438 14.176 18.022
56 H ILE 8 H ILE 8 28.236 15.280 16.825
57 HA ILE 8 HA ILE 8 25.554 15.920 16.471
58 HB ILE 8 HB ILE 8 25.699 14.613 14.371
59 HG12 ILE 8 1HG1 ILE 8 28.442 13.818 15.399
60 HG13 ILE 8 2HG1 ILE 8 27.048 12.739 15.353
61 HG21 ILE 8 1HG2 ILE 8 26.646 16.897 14.511
62 HG22 ILE 8 2HG2 ILE 8 27.569 15.884 13.399
63 HG23 ILE 8 3HG2 ILE 8 28.193 16.216 15.015
64 HD11 ILE 8 1HD1 ILE 8 28.534 13.970 13.034
65 HD12 ILE 8 2HD1 ILE 8 26.900 13.333 12.846
66 HD13 ILE 8 3HD1 ILE 8 28.212 12.265 13.347
67 HA PRO 9 HA PRO 9 23.283 12.887 18.539
68 HB2 PRO 9 1HB PRO 9 21.206 12.291 16.785
69 HB3 PRO 9 2HB PRO 9 21.263 13.693 17.868
70 HG2 PRO 9 1HG PRO 9 21.891 13.518 14.973
71 HG3 PRO 9 2HG PRO 9 21.085 14.809 15.884
72 HD2 PRO 9 1HD PRO 9 23.662 15.034 15.102
73 HD3 PRO 9 2HD PRO 9 23.087 15.724 16.637
74 H PHE 10 H PHE 10 24.334 12.058 15.295
75 HA PHE 10 HA PHE 10 23.589 9.379 15.187
76 HB2 PHE 10 1HB PHE 10 26.049 10.736 14.089
77 HB3 PHE 10 2HB PHE 10 25.555 9.108 13.664
78 HD1 PHE 10 HD1 PHE 10 23.349 8.762 12.482
79 HD2 PHE 10 HD2 PHE 10 25.078 12.649 13.076
80 HE1 PHE 10 HE1 PHE 10 21.875 9.688 10.713
81 HE2 PHE 10 HE2 PHE 10 23.608 13.573 11.305
82 HZ PHE 10 HZ PHE 10 22.005 12.092 10.125
83 HA PRO 11 HA PRO 11 26.021 7.554 18.449
84 HB2 PRO 11 1HB PRO 11 26.451 5.161 16.742
85 HB3 PRO 11 2HB PRO 11 25.701 5.292 18.343
86 HG2 PRO 11 1HG PRO 11 24.269 4.857 16.134
87 HG3 PRO 11 2HG PRO 11 23.650 5.814 17.492
88 HD2 PRO 11 1HD PRO 11 24.682 6.756 14.844
89 HD3 PRO 11 2HD PRO 11 23.372 7.413 15.852
90 HA PRO 12 HA PRO 12 30.321 8.231 17.048
91 HB2 PRO 12 1HB PRO 12 31.088 6.549 19.376
92 HB3 PRO 12 2HB PRO 12 31.620 8.185 18.940
93 HG2 PRO 12 1HG PRO 12 29.945 7.736 20.967
94 HG3 PRO 12 2HG PRO 12 29.834 9.185 19.953
95 HD2 PRO 12 1HD PRO 12 28.094 6.754 19.950
96 HD3 PRO 12 2HD PRO 12 27.668 8.450 19.627
97 H THR 13 H THR 13 29.033 5.087 18.078
98 HA THR 13 HA THR 13 30.911 3.421 16.818
99 HB THR 13 HB THR 13 29.145 1.717 16.848
100 HG1 THR 13 HG1 THR 13 27.456 3.813 17.726
101 HG21 THR 13 1HG2 THR 13 29.134 3.496 19.303
102 HG22 THR 13 2HG2 THR 13 30.335 2.259 18.939
103 HG23 THR 13 3HG2 THR 13 28.665 1.797 19.264
104 H SER 14 H SER 14 28.108 5.168 15.489
105 HA SER 14 HA SER 14 28.085 3.911 12.961
106 HB2 SER 14 1HB SER 14 26.781 5.737 12.205
107 HB3 SER 14 2HB SER 14 26.383 5.573 13.910
108 HG SER 14 HG SER 14 27.309 7.691 12.673
109 H ILE 15 H ILE 15 29.953 6.668 14.211
110 HA ILE 15 HA ILE 15 31.328 7.287 11.829
111 HB ILE 15 HB ILE 15 32.369 7.454 14.671
112 HG12 ILE 15 1HG1 ILE 15 30.989 9.560 12.979
113 HG13 ILE 15 2HG1 ILE 15 30.180 8.621 14.233
114 HG21 ILE 15 1HG2 ILE 15 33.845 9.202 13.772
115 HG22 ILE 15 2HG2 ILE 15 33.173 8.959 12.159
116 HG23 ILE 15 3HG2 ILE 15 34.120 7.682 12.922
117 HD11 ILE 15 1HD1 ILE 15 31.814 9.468 15.898
118 HD12 ILE 15 2HD1 ILE 15 30.908 10.778 15.143
119 HD13 ILE 15 3HD1 ILE 15 32.566 10.448 14.639
120 H LEU 16 H LEU 16 31.934 4.783 14.274
121 HA LEU 16 HA LEU 16 34.393 3.860 13.248
122 HB2 LEU 16 1HB LEU 16 33.346 3.113 15.414
123 HB3 LEU 16 2HB LEU 16 32.263 2.096 14.463
124 HG LEU 16 HG LEU 16 34.334 1.095 13.383
125 HD11 LEU 16 1HD1 LEU 16 36.363 1.321 15.004
126 HD12 LEU 16 2HD1 LEU 16 35.567 2.803 15.535
127 HD13 LEU 16 3HD1 LEU 16 36.060 2.621 13.852
128 HD21 LEU 16 1HD2 LEU 16 33.197 -0.237 14.997
129 HD22 LEU 16 2HD2 LEU 16 33.721 0.794 16.328
130 HD23 LEU 16 3HD2 LEU 16 34.884 -0.248 15.509
131 H LEU 17 H LEU 17 31.062 3.180 12.245
132 HA LEU 17 HA LEU 17 31.629 1.159 10.374
133 HB2 LEU 17 1HB LEU 17 29.331 1.890 11.062
134 HB3 LEU 17 2HB LEU 17 29.535 3.314 10.042
135 HG LEU 17 HG LEU 17 30.061 1.722 8.128
136 HD11 LEU 17 1HD1 LEU 17 30.576 -0.323 9.172
137 HD12 LEU 17 2HD1 LEU 17 28.939 -0.587 8.574
138 HD13 LEU 17 3HD1 LEU 17 29.204 -0.210 10.276
139 HD21 LEU 17 1HD2 LEU 17 27.858 2.858 8.447
140 HD22 LEU 17 2HD2 LEU 17 27.313 1.471 9.391
141 HD23 LEU 17 3HD2 LEU 17 27.699 1.277 7.682
142 H LEU 18 H LEU 18 31.875 4.686 10.097
143 HA LEU 18 HA LEU 18 32.504 4.810 7.352
144 HB2 LEU 18 1HB LEU 18 32.072 6.793 8.815
145 HB3 LEU 18 2HB LEU 18 33.672 6.566 9.519
146 HG LEU 18 HG LEU 18 34.612 6.683 7.166
147 HD11 LEU 18 1HD1 LEU 18 33.006 7.990 5.603
148 HD12 LEU 18 2HD1 LEU 18 31.723 7.388 6.655
149 HD13 LEU 18 3HD1 LEU 18 32.749 6.253 5.778
150 HD21 LEU 18 1HD2 LEU 18 33.137 9.047 8.361
151 HD22 LEU 18 2HD2 LEU 18 34.293 9.196 7.038
152 HD23 LEU 18 3HD2 LEU 18 34.825 8.604 8.611
153 H LEU 19 H LEU 19 34.554 4.131 10.168
154 HA LEU 19 HA LEU 19 37.015 3.948 8.800
155 HB2 LEU 19 1HB LEU 19 36.716 3.831 11.299
156 HB3 LEU 19 2HB LEU 19 36.181 2.164 11.092
157 HG LEU 19 HG LEU 19 38.356 1.768 9.813
158 HD11 LEU 19 1HD1 LEU 19 39.204 3.881 9.303
159 HD12 LEU 19 2HD1 LEU 19 40.151 3.462 10.732
160 HD13 LEU 19 3HD1 LEU 19 38.768 4.548 10.877
161 HD21 LEU 19 1HD2 LEU 19 37.961 0.989 12.134
162 HD22 LEU 19 2HD2 LEU 19 38.525 2.546 12.743
163 HD23 LEU 19 3HD2 LEU 19 39.641 1.474 11.897
164 H ALA 20 H ALA 20 34.373 1.628 9.111
165 HA ALA 20 HA ALA 20 35.617 -0.580 7.885
166 HB1 ALA 20 1HB ALA 20 33.485 -1.502 7.688
167 HB2 ALA 20 2HB ALA 20 32.727 0.062 7.389
168 HB3 ALA 20 3HB ALA 20 33.273 -0.358 9.013
169 H CYS 21 H CYS 21 33.967 2.227 6.487
170 HA CYS 21 HA CYS 21 34.018 1.401 3.794
171 HB2 CYS 21 1HB CYS 21 34.303 4.216 4.874
172 HB3 CYS 21 2HB CYS 21 33.827 3.774 3.235
173 HG CYS 21 HG CYS 21 31.518 3.402 4.039
174 H ILE 22 H ILE 22 36.466 3.056 5.771
175 HA ILE 22 HA ILE 22 38.366 3.434 3.719
176 HB ILE 22 HB ILE 22 38.874 2.892 6.658
177 HG12 ILE 22 1HG1 ILE 22 38.629 5.517 5.158
178 HG13 ILE 22 2HG1 ILE 22 37.333 4.813 6.118
179 HG21 ILE 22 1HG2 ILE 22 40.990 4.117 6.232
180 HG22 ILE 22 2HG2 ILE 22 40.584 4.207 4.519
181 HG23 ILE 22 3HG2 ILE 22 40.898 2.642 5.269
182 HD11 ILE 22 1HD1 ILE 22 39.211 6.567 7.080
183 HD12 ILE 22 2HD1 ILE 22 39.911 5.023 7.560
184 HD13 ILE 22 3HD1 ILE 22 38.282 5.454 8.078
185 H PHE 23 H PHE 23 37.655 0.595 5.741
186 HA PHE 23 HA PHE 23 39.810 -0.998 4.912
187 HB2 PHE 23 1HB PHE 23 38.169 -1.582 6.707
188 HB3 PHE 23 2HB PHE 23 37.009 -1.977 5.454
189 HD1 PHE 23 HD1 PHE 23 37.273 -3.975 4.073
190 HD2 PHE 23 HD2 PHE 23 40.109 -2.991 7.144
191 HE1 PHE 23 HE1 PHE 23 38.207 -6.268 3.944
192 HE2 PHE 23 HE2 PHE 23 41.044 -5.285 7.016
193 HZ PHE 23 HZ PHE 23 40.093 -6.924 5.416
194 H LEU 24 H LEU 24 36.666 -0.437 3.331
195 HA LEU 24 HA LEU 24 37.050 -2.216 1.197
196 HB2 LEU 24 1HB LEU 24 35.459 0.313 1.475
197 HB3 LEU 24 2HB LEU 24 35.615 -0.446 -0.098
198 HG LEU 24 HG LEU 24 33.565 -1.137 1.128
199 HD11 LEU 24 1HD1 LEU 24 33.663 -3.355 0.427
200 HD12 LEU 24 2HD1 LEU 24 35.340 -3.550 0.940
201 HD13 LEU 24 3HD1 LEU 24 34.962 -2.614 -0.507
202 HD21 LEU 24 1HD2 LEU 24 33.729 -2.609 3.067
203 HD22 LEU 24 2HD2 LEU 24 34.535 -1.081 3.420
204 HD23 LEU 24 3HD2 LEU 24 35.489 -2.511 3.027
205 H ILE 25 H ILE 25 38.248 1.105 1.620
206 HA ILE 25 HA ILE 25 39.394 1.394 -0.925
207 HB ILE 25 HB ILE 25 40.555 2.419 1.678
208 HG12 ILE 25 1HG1 ILE 25 38.631 3.758 -0.248
209 HG13 ILE 25 2HG1 ILE 25 38.135 3.014 1.273
210 HG21 ILE 25 1HG2 ILE 25 41.557 4.142 0.257
211 HG22 ILE 25 2HG2 ILE 25 40.819 3.419 -1.172
212 HG23 ILE 25 3HG2 ILE 25 42.071 2.545 -0.288
213 HD11 ILE 25 1HD1 ILE 25 39.901 5.424 0.861
214 HD12 ILE 25 2HD1 ILE 25 39.908 4.526 2.379
215 HD13 ILE 25 3HD1 ILE 25 38.425 5.298 1.817
216 H ALA 26 H ALA 26 40.612 -0.349 1.920
217 HA ALA 26 HA ALA 26 43.127 -1.057 0.900
218 HB1 ALA 26 1HB ALA 26 41.974 -1.560 3.217
219 HB2 ALA 26 2HB ALA 26 43.222 -2.638 2.590
220 HB3 ALA 26 3HB ALA 26 41.520 -3.070 2.427
221 H ILE 27 H ILE 27 39.949 -2.588 0.428
222 HA ILE 27 HA ILE 27 40.815 -4.739 -1.168
223 HB ILE 27 HB ILE 27 38.212 -3.222 -1.444
224 HG12 ILE 27 1HG1 ILE 27 38.533 -3.896 0.883
225 HG13 ILE 27 2HG1 ILE 27 37.311 -4.912 0.132
226 HG21 ILE 27 1HG2 ILE 27 37.384 -5.458 -2.205
227 HG22 ILE 27 2HG2 ILE 27 39.048 -6.038 -2.176
228 HG23 ILE 27 3HG2 ILE 27 38.584 -4.750 -3.287
229 HD11 ILE 27 1HD1 ILE 27 39.698 -6.305 -0.327
230 HD12 ILE 27 2HD1 ILE 27 38.496 -6.673 0.907
231 HD13 ILE 27 3HD1 ILE 27 39.879 -5.656 1.302
232 H LEU 28 H LEU 28 40.148 -1.361 -2.010
233 HA LEU 28 HA LEU 28 40.388 -1.603 -4.805
234 HB2 LEU 28 1HB LEU 28 39.670 0.471 -3.572
235 HB3 LEU 28 2HB LEU 28 41.368 0.750 -3.185
236 HG LEU 28 HG LEU 28 41.838 0.576 -5.682
237 HD11 LEU 28 1HD1 LEU 28 39.903 -0.455 -6.557
238 HD12 LEU 28 2HD1 LEU 28 39.723 1.234 -7.031
239 HD13 LEU 28 3HD1 LEU 28 38.822 0.604 -5.652
240 HD21 LEU 28 1HD2 LEU 28 40.060 2.806 -4.643
241 HD22 LEU 28 2HD2 LEU 28 41.046 2.907 -6.103
242 HD23 LEU 28 3HD2 LEU 28 41.819 2.732 -4.527
243 H ALA 29 H ALA 29 42.862 -1.383 -2.289
244 HA ALA 29 HA ALA 29 45.120 -1.163 -3.955
245 HB1 ALA 29 1HB ALA 29 46.399 -1.947 -2.108
246 HB2 ALA 29 2HB ALA 29 45.025 -2.828 -1.438
247 HB3 ALA 29 3HB ALA 29 45.042 -1.064 -1.408
248 H ALA 30 H ALA 30 43.276 -4.005 -2.910
249 HA ALA 30 HA ALA 30 44.845 -5.975 -4.178
250 HB1 ALA 30 1HB ALA 30 41.841 -6.124 -4.046
251 HB2 ALA 30 2HB ALA 30 42.828 -6.264 -2.591
252 HB3 ALA 30 3HB ALA 30 43.017 -7.429 -3.902
253 H SER 31 H SER 31 42.223 -3.933 -5.433
254 HA SER 31 HA SER 31 42.055 -5.037 -8.003
255 HB2 SER 31 1HB SER 31 40.531 -3.277 -7.020
256 HB3 SER 31 2HB SER 31 41.788 -2.097 -7.369
257 HG SER 31 HG SER 31 40.236 -3.659 -9.125
258 H ALA 32 H ALA 32 44.352 -2.675 -6.684
259 HA ALA 32 HA ALA 32 45.615 -1.969 -9.094
260 HB1 ALA 32 1HB ALA 32 47.471 -1.249 -7.743
261 HB2 ALA 32 2HB ALA 32 46.976 -2.296 -6.412
262 HB3 ALA 32 3HB ALA 32 45.993 -0.896 -6.847
263 H LEU 33 H LEU 33 46.191 -4.690 -6.874
264 HA LEU 33 HA LEU 33 48.311 -5.889 -8.299
265 HB2 LEU 33 1HB LEU 33 47.497 -6.627 -6.055
266 HB3 LEU 33 2HB LEU 33 46.083 -7.330 -6.842
267 HG LEU 33 HG LEU 33 47.704 -8.649 -8.300
268 HD11 LEU 33 1HD1 LEU 33 49.759 -7.521 -8.061
269 HD12 LEU 33 2HD1 LEU 33 49.965 -8.955 -7.055
270 HD13 LEU 33 3HD1 LEU 33 49.592 -7.401 -6.309
271 HD21 LEU 33 1HD2 LEU 33 46.596 -9.863 -6.593
272 HD22 LEU 33 2HD2 LEU 33 47.476 -9.028 -5.314
273 HD23 LEU 33 3HD2 LEU 33 48.305 -10.209 -6.327
274 H TRP 34 H TRP 34 44.800 -6.025 -8.804
275 HA TRP 34 HA TRP 34 44.774 -7.859 -10.933
276 HB2 TRP 34 1HB TRP 34 42.886 -6.335 -9.644
277 HB3 TRP 34 2HB TRP 34 42.918 -5.580 -11.220
278 HD1 TRP 34 HD1 TRP 34 42.501 -7.346 -13.343
279 HE1 TRP 34 HE1 TRP 34 40.881 -9.348 -13.442
280 HE3 TRP 34 HE3 TRP 34 41.764 -8.130 -8.352
281 HZ2 TRP 34 HZ2 TRP 34 39.456 -11.060 -11.637
282 HZ3 TRP 34 HZ3 TRP 34 40.275 -9.945 -7.569
283 HH2 TRP 34 HH2 TRP 34 39.121 -11.411 -9.200
284 H ALA 35 H ALA 35 45.618 -4.443 -10.869
285 HA ALA 35 HA ALA 35 45.780 -3.976 -13.638
286 HB1 ALA 35 1HB ALA 35 46.949 -2.043 -13.106
287 HB2 ALA 35 2HB ALA 35 47.818 -2.810 -11.777
288 HB3 ALA 35 3HB ALA 35 46.121 -2.370 -11.584
289 H ALA 36 H ALA 36 48.146 -5.350 -11.378
290 HA ALA 36 HA ALA 36 50.198 -5.864 -13.239
291 HB1 ALA 36 1HB ALA 36 51.118 -7.297 -11.643
292 HB2 ALA 36 2HB ALA 36 49.539 -7.812 -11.050
293 HB3 ALA 36 3HB ALA 36 50.145 -6.202 -10.660
294 H ALA 37 H ALA 37 47.286 -7.723 -12.459
295 HA ALA 37 HA ALA 37 47.739 -9.967 -14.059
296 HB1 ALA 37 1HB ALA 37 45.796 -9.381 -12.414
297 HB2 ALA 37 2HB ALA 37 45.488 -10.452 -13.780
298 HB3 ALA 37 3HB ALA 37 45.005 -8.758 -13.863
299 H TRP 38 H TRP 38 46.668 -6.747 -14.980
300 HA TRP 38 HA TRP 38 45.703 -7.209 -17.532
301 HB2 TRP 38 1HB TRP 38 45.711 -5.034 -16.327
302 HB3 TRP 38 2HB TRP 38 47.420 -4.881 -16.680
303 HD1 TRP 38 HD1 TRP 38 48.115 -4.100 -19.063
304 HE1 TRP 38 HE1 TRP 38 46.794 -3.195 -21.082
305 HE3 TRP 38 HE3 TRP 38 43.366 -5.291 -17.614
306 HZ2 TRP 38 HZ2 TRP 38 44.076 -2.999 -21.967
307 HZ3 TRP 38 HZ3 TRP 38 41.435 -4.736 -19.058
308 HH2 TRP 38 HH2 TRP 38 41.780 -3.593 -21.229
309 H HIS 39 H HIS 39 49.006 -7.411 -16.448
310 HA HIS 39 HA HIS 39 51.007 -7.751 -17.502
311 HB2 HIS 39 1HB HIS 39 49.130 -9.091 -19.441
312 HB3 HIS 39 2HB HIS 39 50.876 -9.197 -19.551
313 HD1 HIS 39 HD1 HIS 39 47.969 -10.733 -17.961
314 HD2 HIS 39 HD2 HIS 39 52.058 -10.537 -17.175
315 HE1 HIS 39 HE1 HIS 39 48.466 -12.576 -16.298
316 H GLY 40 H GLY 40 52.088 -6.064 -18.237
317 HA2 GLY 40 1HA GLY 40 51.181 -4.104 -20.007
318 HA3 GLY 40 2HA GLY 40 52.871 -4.422 -19.640
319 H GLN 41 H GLN 41 52.514 -7.256 -20.715
320 HA GLN 41 HA GLN 41 53.623 -6.824 -23.238
321 HB2 GLN 41 1HB GLN 41 52.208 -9.257 -22.137
322 HB3 GLN 41 2HB GLN 41 53.159 -9.242 -23.624
323 HG2 GLN 41 1HG GLN 41 55.149 -8.552 -22.386
324 HG3 GLN 41 2HG GLN 41 54.217 -8.455 -20.895
325 HE21 GLN 41 1HE2 GLN 41 56.491 -10.172 -21.112
326 HE22 GLN 41 2HE2 GLN 41 55.956 -11.782 -21.045
327 H LYS 42 H LYS 42 50.249 -6.923 -22.323
328 HA LYS 42 HA LYS 42 49.072 -7.729 -24.708
329 HB2 LYS 42 1HB LYS 42 48.166 -5.826 -22.556
330 HB3 LYS 42 2HB LYS 42 47.149 -6.204 -23.947
331 HG2 LYS 42 1HG LYS 42 48.389 -8.415 -22.323
332 HG3 LYS 42 2HG LYS 42 46.888 -7.652 -21.798
333 HD2 LYS 42 1HD LYS 42 45.705 -8.375 -23.688
334 HD3 LYS 42 2HD LYS 42 47.176 -8.630 -24.629
335 HE2 LYS 42 1HE LYS 42 46.637 -10.244 -22.142
336 HE3 LYS 42 2HE LYS 42 45.957 -10.722 -23.696
337 HZ1 LYS 42 1HZ LYS 42 48.796 -10.053 -23.625
338 HZ2 LYS 42 2HZ LYS 42 47.979 -11.231 -24.536
339 HZ3 LYS 42 3HZ LYS 42 48.331 -11.514 -22.899
340 HA PRO 43 HA PRO 43 50.120 -4.565 -27.629
341 HB2 PRO 43 1HB PRO 43 47.299 -4.552 -28.578
342 HB3 PRO 43 2HB PRO 43 48.797 -4.848 -29.482
343 HG2 PRO 43 1HG PRO 43 47.119 -6.821 -28.866
344 HG3 PRO 43 2HG PRO 43 48.876 -7.059 -28.898
345 HD2 PRO 43 1HD PRO 43 47.060 -6.791 -26.537
346 HD3 PRO 43 2HD PRO 43 48.533 -7.768 -26.730
347 H GLY 44 H GLY 44 50.089 -2.341 -27.778
348 HA2 GLY 44 1HA GLY 44 49.010 -0.798 -25.715
349 HA3 GLY 44 2HA GLY 44 49.598 -0.156 -27.246
350 H THR 45 H THR 45 47.214 0.528 -25.547
351 HA THR 45 HA THR 45 44.818 -0.291 -26.734
352 HB THR 45 HB THR 45 43.846 1.748 -25.785
353 HG1 THR 45 HG1 THR 45 45.405 3.243 -26.237
354 HG21 THR 45 1HG2 THR 45 45.971 0.565 -23.977
355 HG22 THR 45 2HG2 THR 45 44.411 -0.185 -24.317
356 HG23 THR 45 3HG2 THR 45 44.481 1.356 -23.464
357 H HIS 46 H HIS 46 47.218 1.951 -27.935
358 HA HIS 46 HA HIS 46 47.336 3.193 -29.861
359 HB2 HIS 46 1HB HIS 46 46.821 0.911 -30.790
360 HB3 HIS 46 2HB HIS 46 45.131 1.376 -30.834
361 HD1 HIS 46 HD1 HIS 46 44.387 2.975 -32.705
362 HD2 HIS 46 HD2 HIS 46 48.486 2.219 -32.724
363 HE1 HIS 46 HE1 HIS 46 45.273 3.893 -34.890
Start of MODEL 10
1 H ARG 1 3H ARG 1 7.924 -0.942 16.562
2 HA ARG 1 HA ARG 1 9.918 -3.039 16.393
3 HB2 ARG 1 1HB ARG 1 7.955 -2.819 14.879
4 HB3 ARG 1 2HB ARG 1 8.593 -1.272 14.319
5 HG2 ARG 1 1HG ARG 1 10.684 -2.434 13.608
6 HG3 ARG 1 2HG ARG 1 9.952 -3.971 14.068
7 HD2 ARG 1 1HD ARG 1 8.826 -2.051 12.010
8 HD3 ARG 1 2HD ARG 1 9.708 -3.530 11.642
9 HE ARG 1 HE ARG 1 6.977 -3.324 12.644
10 HH11 ARG 1 1HH1 ARG 1 9.705 -5.444 12.010
11 HH12 ARG 1 2HH1 ARG 1 8.724 -6.871 12.011
12 HH21 ARG 1 1HH2 ARG 1 5.766 -5.198 12.635
13 HH22 ARG 1 2HH2 ARG 1 6.523 -6.733 12.362
14 H SER 2 H SER 2 9.821 0.481 16.298
15 HA SER 2 HA SER 2 12.161 0.999 14.856
16 HB2 SER 2 1HB SER 2 11.112 2.542 17.235
17 HB3 SER 2 2HB SER 2 12.193 3.145 15.984
18 HG SER 2 HG SER 2 9.518 2.983 15.986
19 H LEU 3 H LEU 3 11.780 -0.142 18.163
20 HA LEU 3 HA LEU 3 14.290 0.522 19.207
21 HB2 LEU 3 1HB LEU 3 12.308 -0.436 20.418
22 HB3 LEU 3 2HB LEU 3 12.749 -2.013 19.777
23 HG LEU 3 HG LEU 3 14.920 -0.460 21.131
24 HD11 LEU 3 1HD1 LEU 3 13.062 -0.093 22.675
25 HD12 LEU 3 2HD1 LEU 3 14.175 -1.276 23.362
26 HD13 LEU 3 3HD1 LEU 3 12.658 -1.809 22.636
27 HD21 LEU 3 1HD2 LEU 3 14.103 -3.319 20.727
28 HD22 LEU 3 2HD2 LEU 3 15.141 -2.932 22.098
29 HD23 LEU 3 3HD2 LEU 3 15.671 -2.561 20.462
30 H LEU 4 H LEU 4 13.431 -1.937 16.898
31 HA LEU 4 HA LEU 4 15.537 -3.751 17.235
32 HB2 LEU 4 1HB LEU 4 13.345 -3.610 15.619
33 HB3 LEU 4 2HB LEU 4 14.617 -3.287 14.453
34 HG LEU 4 HG LEU 4 14.188 -5.666 14.503
35 HD11 LEU 4 1HD1 LEU 4 16.580 -4.901 14.345
36 HD12 LEU 4 2HD1 LEU 4 16.385 -6.536 14.976
37 HD13 LEU 4 3HD1 LEU 4 16.731 -5.200 16.076
38 HD21 LEU 4 1HD2 LEU 4 14.963 -5.797 17.406
39 HD22 LEU 4 2HD2 LEU 4 14.083 -6.981 16.440
40 HD23 LEU 4 3HD2 LEU 4 13.290 -5.487 16.941
41 H GLU 5 H GLU 5 15.588 -0.552 15.930
42 HA GLU 5 HA GLU 5 17.676 -0.922 14.023
43 HB2 GLU 5 1HB GLU 5 16.690 1.574 15.416
44 HB3 GLU 5 2HB GLU 5 17.794 1.557 14.040
45 HG2 GLU 5 1HG GLU 5 16.082 0.332 12.716
46 HG3 GLU 5 2HG GLU 5 14.976 0.446 14.078
47 H GLY 6 H GLY 6 17.729 -0.320 17.496
48 HA2 GLY 6 1HA GLY 6 19.497 -0.552 18.954
49 HA3 GLY 6 2HA GLY 6 20.424 -1.201 17.610
50 H GLU 7 H GLU 7 19.019 2.004 17.436
51 HA GLU 7 HA GLU 7 21.393 3.295 16.735
52 HB2 GLU 7 1HB GLU 7 19.095 4.125 16.303
53 HB3 GLU 7 2HB GLU 7 18.947 4.527 18.012
54 HG2 GLU 7 1HG GLU 7 19.592 6.532 16.847
55 HG3 GLU 7 2HG GLU 7 20.988 5.987 17.764
56 H ILE 8 H ILE 8 20.381 2.344 19.892
57 HA ILE 8 HA ILE 8 20.965 4.623 21.380
58 HB ILE 8 HB ILE 8 21.050 1.753 22.310
59 HG12 ILE 8 1HG1 ILE 8 18.764 3.740 22.403
60 HG13 ILE 8 2HG1 ILE 8 18.921 2.516 21.147
61 HG21 ILE 8 1HG2 ILE 8 22.029 3.379 23.928
62 HG22 ILE 8 2HG2 ILE 8 20.516 2.687 24.513
63 HG23 ILE 8 3HG2 ILE 8 20.539 4.320 23.848
64 HD11 ILE 8 1HD1 ILE 8 18.932 0.748 22.878
65 HD12 ILE 8 2HD1 ILE 8 17.453 1.707 22.941
66 HD13 ILE 8 3HD1 ILE 8 18.733 1.980 24.124
67 HA PRO 9 HA PRO 9 25.428 2.756 22.288
68 HB2 PRO 9 1HB PRO 9 26.221 2.522 19.415
69 HB3 PRO 9 2HB PRO 9 26.766 1.578 20.820
70 HG2 PRO 9 1HG PRO 9 25.055 0.524 19.133
71 HG3 PRO 9 2HG PRO 9 24.825 0.307 20.881
72 HD2 PRO 9 1HD PRO 9 23.407 2.191 19.023
73 HD3 PRO 9 2HD PRO 9 22.732 1.205 20.342
74 H PHE 10 H PHE 10 27.108 4.192 22.504
75 HA PHE 10 HA PHE 10 26.603 6.876 22.014
76 HB2 PHE 10 1HB PHE 10 29.186 5.453 22.637
77 HB3 PHE 10 2HB PHE 10 29.036 7.200 22.588
78 HD1 PHE 10 HD1 PHE 10 27.587 4.164 24.229
79 HD2 PHE 10 HD2 PHE 10 28.375 8.378 24.502
80 HE1 PHE 10 HE1 PHE 10 26.803 4.158 26.580
81 HE2 PHE 10 HE2 PHE 10 27.591 8.371 26.855
82 HZ PHE 10 HZ PHE 10 26.804 6.261 27.895
83 HA PRO 11 HA PRO 11 27.519 7.581 17.803
84 HB2 PRO 11 1HB PRO 11 29.150 9.961 18.506
85 HB3 PRO 11 2HB PRO 11 27.737 9.819 17.445
86 HG2 PRO 11 1HG PRO 11 27.565 10.924 19.854
87 HG3 PRO 11 2HG PRO 11 26.251 9.939 19.182
88 HD2 PRO 11 1HD PRO 11 28.249 9.218 21.289
89 HD3 PRO 11 2HD PRO 11 26.539 8.754 21.133
90 HA PRO 12 HA PRO 12 32.427 7.639 17.701
91 HB2 PRO 12 1HB PRO 12 32.828 5.811 20.031
92 HB3 PRO 12 2HB PRO 12 33.879 7.103 19.415
93 HG2 PRO 12 1HG PRO 12 32.451 7.474 21.600
94 HG3 PRO 12 2HG PRO 12 32.636 8.775 20.407
95 HD2 PRO 12 1HD PRO 12 30.276 7.008 20.908
96 HD3 PRO 12 2HD PRO 12 30.314 8.728 20.460
97 H THR 13 H THR 13 30.381 4.959 18.854
98 HA THR 13 HA THR 13 31.616 2.881 17.408
99 HB THR 13 HB THR 13 29.451 1.739 17.533
100 HG1 THR 13 HG1 THR 13 28.114 3.478 17.048
101 HG21 THR 13 1HG2 THR 13 29.090 1.975 20.007
102 HG22 THR 13 2HG2 THR 13 30.194 3.351 19.988
103 HG23 THR 13 3HG2 THR 13 30.780 1.744 19.558
104 H SER 14 H SER 14 29.219 5.312 16.397
105 HA SER 14 HA SER 14 28.825 4.390 13.774
106 HB2 SER 14 1HB SER 14 28.904 7.272 14.697
107 HB3 SER 14 2HB SER 14 28.113 6.653 13.254
108 HG SER 14 HG SER 14 27.067 6.891 15.617
109 H ILE 15 H ILE 15 31.377 6.448 15.159
110 HA ILE 15 HA ILE 15 32.666 7.091 12.736
111 HB ILE 15 HB ILE 15 33.978 6.632 15.429
112 HG12 ILE 15 1HG1 ILE 15 32.923 9.199 14.207
113 HG13 ILE 15 2HG1 ILE 15 32.058 8.266 15.429
114 HG21 ILE 15 1HG2 ILE 15 35.503 6.770 13.434
115 HG22 ILE 15 2HG2 ILE 15 35.726 8.087 14.585
116 HG23 ILE 15 3HG2 ILE 15 34.830 8.364 13.091
117 HD11 ILE 15 1HD1 ILE 15 34.218 8.451 16.831
118 HD12 ILE 15 2HD1 ILE 15 33.231 9.904 16.673
119 HD13 ILE 15 3HD1 ILE 15 34.690 9.718 15.700
120 H LEU 16 H LEU 16 32.861 4.183 14.763
121 HA LEU 16 HA LEU 16 34.975 2.921 13.387
122 HB2 LEU 16 1HB LEU 16 32.561 1.588 14.638
123 HB3 LEU 16 2HB LEU 16 34.096 0.817 14.251
124 HG LEU 16 HG LEU 16 33.780 3.135 16.179
125 HD11 LEU 16 1HD1 LEU 16 32.746 1.097 17.071
126 HD12 LEU 16 2HD1 LEU 16 34.261 1.419 17.915
127 HD13 LEU 16 3HD1 LEU 16 34.193 0.170 16.671
128 HD21 LEU 16 1HD2 LEU 16 35.992 3.232 15.395
129 HD22 LEU 16 2HD2 LEU 16 36.096 1.484 15.192
130 HD23 LEU 16 3HD2 LEU 16 36.143 2.186 16.808
131 H LEU 17 H LEU 17 31.504 3.103 12.654
132 HA LEU 17 HA LEU 17 31.509 1.348 10.451
133 HB2 LEU 17 1HB LEU 17 29.864 3.876 10.714
134 HB3 LEU 17 2HB LEU 17 29.515 2.497 9.679
135 HG LEU 17 HG LEU 17 29.678 2.382 12.705
136 HD11 LEU 17 1HD1 LEU 17 27.199 2.020 12.513
137 HD12 LEU 17 2HD1 LEU 17 27.318 2.428 10.800
138 HD13 LEU 17 3HD1 LEU 17 27.712 3.635 12.024
139 HD21 LEU 17 1HD2 LEU 17 29.021 0.359 10.551
140 HD22 LEU 17 2HD2 LEU 17 28.515 0.140 12.227
141 HD23 LEU 17 3HD2 LEU 17 30.231 0.230 11.828
142 H LEU 18 H LEU 18 32.431 4.765 10.670
143 HA LEU 18 HA LEU 18 32.853 5.209 7.916
144 HB2 LEU 18 1HB LEU 18 34.471 6.377 10.191
145 HB3 LEU 18 2HB LEU 18 34.331 7.023 8.562
146 HG LEU 18 HG LEU 18 32.004 6.677 10.474
147 HD11 LEU 18 1HD1 LEU 18 32.096 9.070 10.786
148 HD12 LEU 18 2HD1 LEU 18 33.377 9.229 9.585
149 HD13 LEU 18 3HD1 LEU 18 33.704 8.433 11.124
150 HD21 LEU 18 1HD2 LEU 18 31.173 6.589 8.245
151 HD22 LEU 18 2HD2 LEU 18 32.310 7.816 7.689
152 HD23 LEU 18 3HD2 LEU 18 30.963 8.270 8.735
153 H LEU 19 H LEU 19 34.937 3.720 10.369
154 HA LEU 19 HA LEU 19 37.216 3.348 8.759
155 HB2 LEU 19 1HB LEU 19 37.089 2.864 11.221
156 HB3 LEU 19 2HB LEU 19 36.217 1.383 10.825
157 HG LEU 19 HG LEU 19 38.156 0.782 9.298
158 HD11 LEU 19 1HD1 LEU 19 39.329 2.780 8.948
159 HD12 LEU 19 2HD1 LEU 19 40.325 1.972 10.158
160 HD13 LEU 19 3HD1 LEU 19 39.216 3.255 10.643
161 HD21 LEU 19 1HD2 LEU 19 37.871 -0.264 11.498
162 HD22 LEU 19 2HD2 LEU 19 38.676 1.100 12.273
163 HD23 LEU 19 3HD2 LEU 19 39.583 0.035 11.200
164 H ALA 20 H ALA 20 34.203 1.523 8.935
165 HA ALA 20 HA ALA 20 34.949 -0.660 7.323
166 HB1 ALA 20 1HB ALA 20 32.685 -1.156 7.183
167 HB2 ALA 20 2HB ALA 20 32.213 0.542 7.095
168 HB3 ALA 20 3HB ALA 20 32.730 -0.152 8.633
169 H CYS 21 H CYS 21 33.769 2.570 6.454
170 HA CYS 21 HA CYS 21 33.599 2.162 3.668
171 HB2 CYS 21 1HB CYS 21 34.350 4.685 5.166
172 HB3 CYS 21 2HB CYS 21 33.859 4.610 3.475
173 HG CYS 21 HG CYS 21 31.478 4.278 4.154
174 H ILE 22 H ILE 22 36.336 3.121 5.721
175 HA ILE 22 HA ILE 22 38.219 3.489 3.656
176 HB ILE 22 HB ILE 22 38.703 2.481 6.473
177 HG12 ILE 22 1HG1 ILE 22 38.843 5.293 5.346
178 HG13 ILE 22 2HG1 ILE 22 37.469 4.670 6.253
179 HG21 ILE 22 1HG2 ILE 22 40.975 3.347 6.151
180 HG22 ILE 22 2HG2 ILE 22 40.569 3.863 4.513
181 HG23 ILE 22 3HG2 ILE 22 40.619 2.145 4.910
182 HD11 ILE 22 1HD1 ILE 22 38.535 4.895 8.240
183 HD12 ILE 22 2HD1 ILE 22 39.634 5.955 7.364
184 HD13 ILE 22 3HD1 ILE 22 40.061 4.266 7.619
185 H PHE 23 H PHE 23 37.132 0.536 5.313
186 HA PHE 23 HA PHE 23 38.994 -1.232 4.183
187 HB2 PHE 23 1HB PHE 23 37.353 -1.826 5.954
188 HB3 PHE 23 2HB PHE 23 36.089 -1.824 4.741
189 HD1 PHE 23 HD1 PHE 23 39.107 -3.556 5.968
190 HD2 PHE 23 HD2 PHE 23 35.871 -3.630 3.144
191 HE1 PHE 23 HE1 PHE 23 39.622 -5.924 5.439
192 HE2 PHE 23 HE2 PHE 23 36.385 -5.997 2.616
193 HZ PHE 23 HZ PHE 23 38.261 -7.144 3.762
194 H LEU 24 H LEU 24 35.977 0.067 2.821
195 HA LEU 24 HA LEU 24 35.947 -1.410 0.446
196 HB2 LEU 24 1HB LEU 24 34.339 0.453 1.447
197 HB3 LEU 24 2HB LEU 24 35.272 1.507 0.397
198 HG LEU 24 HG LEU 24 33.287 0.763 -0.778
199 HD11 LEU 24 1HD1 LEU 24 35.667 0.773 -1.902
200 HD12 LEU 24 2HD1 LEU 24 34.271 0.153 -2.780
201 HD13 LEU 24 3HD1 LEU 24 35.395 -0.966 -2.010
202 HD21 LEU 24 1HD2 LEU 24 33.209 -1.411 0.670
203 HD22 LEU 24 2HD2 LEU 24 34.191 -2.098 -0.624
204 HD23 LEU 24 3HD2 LEU 24 32.589 -1.454 -0.980
205 H ILE 25 H ILE 25 37.752 1.568 1.237
206 HA ILE 25 HA ILE 25 39.011 1.874 -1.258
207 HB ILE 25 HB ILE 25 40.217 2.484 1.454
208 HG12 ILE 25 1HG1 ILE 25 38.608 4.256 -0.411
209 HG13 ILE 25 2HG1 ILE 25 37.951 3.497 1.038
210 HG21 ILE 25 1HG2 ILE 25 41.820 2.508 -0.445
211 HG22 ILE 25 2HG2 ILE 25 41.548 4.122 0.213
212 HG23 ILE 25 3HG2 ILE 25 40.768 3.641 -1.294
213 HD11 ILE 25 1HD1 ILE 25 38.588 5.699 1.704
214 HD12 ILE 25 2HD1 ILE 25 40.133 5.582 0.863
215 HD13 ILE 25 3HD1 ILE 25 39.850 4.633 2.322
216 H ALA 26 H ALA 26 39.757 -0.312 1.414
217 HA ALA 26 HA ALA 26 42.276 -1.170 0.532
218 HB1 ALA 26 1HB ALA 26 42.066 -2.943 2.054
219 HB2 ALA 26 2HB ALA 26 40.313 -3.013 1.870
220 HB3 ALA 26 3HB ALA 26 41.056 -1.673 2.743
221 H ILE 27 H ILE 27 39.059 -2.613 -0.148
222 HA ILE 27 HA ILE 27 40.072 -4.659 -1.798
223 HB ILE 27 HB ILE 27 37.805 -4.732 -0.900
224 HG12 ILE 27 1HG1 ILE 27 37.629 -4.688 -3.912
225 HG13 ILE 27 2HG1 ILE 27 38.534 -5.930 -3.046
226 HG21 ILE 27 1HG2 ILE 27 36.061 -3.406 -2.301
227 HG22 ILE 27 2HG2 ILE 27 37.407 -2.335 -2.671
228 HG23 ILE 27 3HG2 ILE 27 36.913 -2.586 -0.998
229 HD11 ILE 27 1HD1 ILE 27 36.302 -6.778 -3.428
230 HD12 ILE 27 2HD1 ILE 27 35.582 -5.306 -2.775
231 HD13 ILE 27 3HD1 ILE 27 36.453 -6.409 -1.710
232 H LEU 28 H LEU 28 39.298 -1.285 -2.526
233 HA LEU 28 HA LEU 28 39.582 -1.426 -5.326
234 HB2 LEU 28 1HB LEU 28 38.837 0.592 -4.054
235 HB3 LEU 28 2HB LEU 28 40.506 0.835 -3.543
236 HG LEU 28 HG LEU 28 41.149 0.844 -5.995
237 HD11 LEU 28 1HD1 LEU 28 39.164 1.476 -7.501
238 HD12 LEU 28 2HD1 LEU 28 38.134 0.836 -6.220
239 HD13 LEU 28 3HD1 LEU 28 39.289 -0.219 -7.033
240 HD21 LEU 28 1HD2 LEU 28 39.156 2.993 -5.218
241 HD22 LEU 28 2HD2 LEU 28 40.546 3.161 -6.292
242 HD23 LEU 28 3HD2 LEU 28 40.791 2.906 -4.564
243 H ALA 29 H ALA 29 42.014 -1.226 -2.760
244 HA ALA 29 HA ALA 29 44.290 -0.972 -4.395
245 HB1 ALA 29 1HB ALA 29 45.559 -1.670 -2.513
246 HB2 ALA 29 2HB ALA 29 44.201 -2.575 -1.842
247 HB3 ALA 29 3HB ALA 29 44.165 -0.812 -1.855
248 H ALA 30 H ALA 30 42.484 -3.833 -3.355
249 HA ALA 30 HA ALA 30 44.215 -5.788 -4.401
250 HB1 ALA 30 1HB ALA 30 41.195 -5.878 -4.204
251 HB2 ALA 30 2HB ALA 30 42.317 -6.307 -2.914
252 HB3 ALA 30 3HB ALA 30 42.261 -7.271 -4.390
253 H SER 31 H SER 31 41.558 -3.991 -5.927
254 HA SER 31 HA SER 31 41.608 -5.258 -8.428
255 HB2 SER 31 1HB SER 31 41.080 -2.325 -7.899
256 HB3 SER 31 2HB SER 31 40.550 -3.254 -9.297
257 HG SER 31 HG SER 31 39.325 -4.545 -7.869
258 H ALA 32 H ALA 32 43.595 -2.593 -7.170
259 HA ALA 32 HA ALA 32 44.981 -2.006 -9.543
260 HB1 ALA 32 1HB ALA 32 46.416 -0.755 -8.227
261 HB2 ALA 32 2HB ALA 32 46.406 -1.931 -6.913
262 HB3 ALA 32 3HB ALA 32 45.017 -0.872 -7.158
263 H LEU 33 H LEU 33 45.602 -4.434 -7.022
264 HA LEU 33 HA LEU 33 48.049 -5.398 -8.030
265 HB2 LEU 33 1HB LEU 33 47.066 -6.012 -5.819
266 HB3 LEU 33 2HB LEU 33 45.894 -7.024 -6.665
267 HG LEU 33 HG LEU 33 47.862 -8.219 -7.739
268 HD11 LEU 33 1HD1 LEU 33 49.972 -7.968 -6.210
269 HD12 LEU 33 2HD1 LEU 33 49.278 -6.396 -5.810
270 HD13 LEU 33 3HD1 LEU 33 49.691 -6.779 -7.481
271 HD21 LEU 33 1HD2 LEU 33 47.562 -8.277 -4.719
272 HD22 LEU 33 2HD2 LEU 33 48.377 -9.524 -5.663
273 HD23 LEU 33 3HD2 LEU 33 46.650 -9.239 -5.883
274 H TRP 34 H TRP 34 44.699 -6.202 -8.898
275 HA TRP 34 HA TRP 34 45.259 -8.266 -10.730
276 HB2 TRP 34 1HB TRP 34 42.989 -7.538 -9.929
277 HB3 TRP 34 2HB TRP 34 43.103 -6.180 -11.033
278 HD1 TRP 34 HD1 TRP 34 42.356 -6.575 -13.444
279 HE1 TRP 34 HE1 TRP 34 41.623 -8.635 -14.809
280 HE3 TRP 34 HE3 TRP 34 43.499 -10.287 -10.127
281 HZ2 TRP 34 HZ2 TRP 34 41.535 -11.483 -14.533
282 HZ3 TRP 34 HZ3 TRP 34 43.081 -12.658 -10.702
283 HH2 TRP 34 HH2 TRP 34 42.101 -13.262 -12.896
284 H ALA 35 H ALA 35 45.425 -4.755 -11.090
285 HA ALA 35 HA ALA 35 45.928 -4.653 -13.858
286 HB1 ALA 35 1HB ALA 35 47.320 -2.816 -11.938
287 HB2 ALA 35 2HB ALA 35 45.570 -2.734 -12.130
288 HB3 ALA 35 3HB ALA 35 46.622 -2.454 -13.516
289 H ALA 36 H ALA 36 48.116 -5.121 -11.119
290 HA ALA 36 HA ALA 36 50.530 -5.161 -12.553
291 HB1 ALA 36 1HB ALA 36 50.291 -5.100 -10.055
292 HB2 ALA 36 2HB ALA 36 51.485 -6.260 -10.640
293 HB3 ALA 36 3HB ALA 36 49.901 -6.819 -10.105
294 H ALA 37 H ALA 37 48.199 -7.760 -11.918
295 HA ALA 37 HA ALA 37 49.700 -9.886 -12.964
296 HB1 ALA 37 1HB ALA 37 47.390 -9.853 -11.742
297 HB2 ALA 37 2HB ALA 37 47.729 -11.118 -12.923
298 HB3 ALA 37 3HB ALA 37 46.736 -9.733 -13.376
299 H TRP 38 H TRP 38 47.487 -7.632 -14.596
300 HA TRP 38 HA TRP 38 47.707 -8.638 -17.187
301 HB2 TRP 38 1HB TRP 38 47.324 -5.836 -16.172
302 HB3 TRP 38 2HB TRP 38 47.317 -6.223 -17.883
303 HD1 TRP 38 HD1 TRP 38 44.992 -5.612 -15.263
304 HE1 TRP 38 HE1 TRP 38 42.728 -6.774 -15.656
305 HE3 TRP 38 HE3 TRP 38 46.335 -8.957 -18.880
306 HZ2 TRP 38 HZ2 TRP 38 41.627 -8.854 -17.289
307 HZ3 TRP 38 HZ3 TRP 38 44.664 -10.512 -19.834
308 HH2 TRP 38 HH2 TRP 38 42.315 -10.468 -19.045
309 H HIS 39 H HIS 39 50.081 -6.905 -15.325
310 HA HIS 39 HA HIS 39 51.588 -5.706 -17.343
311 HB2 HIS 39 1HB HIS 39 51.799 -5.544 -14.775
312 HB3 HIS 39 2HB HIS 39 52.833 -6.954 -14.913
313 HD1 HIS 39 HD1 HIS 39 52.605 -3.362 -16.113
314 HD2 HIS 39 HD2 HIS 39 55.456 -6.369 -15.665
315 HE1 HIS 39 HE1 HIS 39 54.849 -2.299 -16.606
316 H GLY 40 H GLY 40 53.290 -6.339 -18.603
317 HA2 GLY 40 1HA GLY 40 53.516 -8.964 -19.536
318 HA3 GLY 40 2HA GLY 40 54.744 -7.716 -19.735
319 H GLN 41 H GLN 41 55.065 -10.606 -19.158
320 HA GLN 41 HA GLN 41 55.683 -11.141 -16.488
321 HB2 GLN 41 1HB GLN 41 56.990 -12.229 -18.994
322 HB3 GLN 41 2HB GLN 41 57.148 -12.927 -17.381
323 HG2 GLN 41 1HG GLN 41 54.741 -13.311 -17.268
324 HG3 GLN 41 2HG GLN 41 54.519 -12.536 -18.834
325 HE21 GLN 41 1HE2 GLN 41 53.725 -15.259 -18.350
326 HE22 GLN 41 2HE2 GLN 41 54.709 -16.268 -19.296
327 H LYS 42 H LYS 42 57.595 -11.052 -15.289
328 HA LYS 42 HA LYS 42 58.908 -8.611 -15.428
329 HB2 LYS 42 1HB LYS 42 59.579 -11.134 -13.939
330 HB3 LYS 42 2HB LYS 42 60.443 -9.613 -13.704
331 HG2 LYS 42 1HG LYS 42 58.296 -8.492 -13.173
332 HG3 LYS 42 2HG LYS 42 57.461 -10.034 -13.351
333 HD2 LYS 42 1HD LYS 42 59.133 -10.919 -11.586
334 HD3 LYS 42 2HD LYS 42 59.457 -9.218 -11.244
335 HE2 LYS 42 1HE LYS 42 56.852 -9.013 -11.110
336 HE3 LYS 42 2HE LYS 42 56.901 -10.760 -10.880
337 HZ1 LYS 42 1HZ LYS 42 58.413 -8.788 -9.254
338 HZ2 LYS 42 2HZ LYS 42 58.363 -10.469 -9.009
339 HZ3 LYS 42 3HZ LYS 42 56.964 -9.533 -8.778
340 HA PRO 43 HA PRO 43 62.792 -10.873 -17.431
341 HB2 PRO 43 1HB PRO 43 61.166 -12.214 -19.554
342 HB3 PRO 43 2HB PRO 43 62.719 -12.702 -18.845
343 HG2 PRO 43 1HG PRO 43 60.476 -13.923 -18.160
344 HG3 PRO 43 2HG PRO 43 61.738 -13.585 -16.960
345 HD2 PRO 43 1HD PRO 43 59.113 -12.222 -17.354
346 HD3 PRO 43 2HD PRO 43 60.021 -12.506 -15.855
347 H GLY 44 H GLY 44 63.782 -9.635 -18.994
348 HA2 GLY 44 1HA GLY 44 62.521 -7.350 -19.993
349 HA3 GLY 44 2HA GLY 44 64.053 -7.989 -20.579
350 H THR 45 H THR 45 61.710 -6.782 -22.005
351 HA THR 45 HA THR 45 60.245 -8.678 -23.443
352 HB THR 45 HB THR 45 59.932 -6.920 -25.121
353 HG1 THR 45 HG1 THR 45 61.924 -6.043 -25.313
354 HG21 THR 45 1HG2 THR 45 58.701 -6.766 -22.983
355 HG22 THR 45 2HG2 THR 45 59.065 -5.167 -23.632
356 HG23 THR 45 3HG2 THR 45 60.019 -5.816 -22.299
357 H HIS 46 H HIS 46 60.566 -9.729 -25.397
358 HA HIS 46 HA HIS 46 63.390 -10.046 -26.178
359 HB2 HIS 46 1HB HIS 46 60.986 -11.761 -26.818
360 HB3 HIS 46 2HB HIS 46 62.645 -12.115 -27.259
361 HD1 HIS 46 HD1 HIS 46 60.204 -12.390 -24.501
362 HD2 HIS 46 HD2 HIS 46 64.323 -12.819 -24.974
363 HE1 HIS 46 HE1 HIS 46 61.040 -13.588 -22.434
Start of MODEL 11
1 H ARG 1 3H ARG 1 33.463 23.407 9.707
2 HA ARG 1 HA ARG 1 31.787 24.829 9.348
3 HB2 ARG 1 1HB ARG 1 32.777 24.325 7.100
4 HB3 ARG 1 2HB ARG 1 31.487 23.148 6.841
5 HG2 ARG 1 1HG ARG 1 29.806 24.946 7.157
6 HG3 ARG 1 2HG ARG 1 31.114 26.116 7.344
7 HD2 ARG 1 1HD ARG 1 31.946 25.480 5.075
8 HD3 ARG 1 2HD ARG 1 30.543 24.431 4.891
9 HE ARG 1 HE ARG 1 30.575 27.342 4.797
10 HH11 ARG 1 1HH1 ARG 1 28.580 24.466 5.070
11 HH12 ARG 1 2HH1 ARG 1 27.147 25.290 4.555
12 HH21 ARG 1 1HH2 ARG 1 28.697 28.349 4.141
13 HH22 ARG 1 2HH2 ARG 1 27.214 27.462 4.036
14 H SER 2 H SER 2 30.719 21.524 8.604
15 HA SER 2 HA SER 2 27.956 21.925 8.685
16 HB2 SER 2 1HB SER 2 29.496 19.484 9.584
17 HB3 SER 2 2HB SER 2 27.791 19.534 9.152
18 HG SER 2 HG SER 2 30.075 19.903 7.531
19 H LEU 3 H LEU 3 30.248 21.809 11.324
20 HA LEU 3 HA LEU 3 28.594 21.063 13.446
21 HB2 LEU 3 1HB LEU 3 31.063 21.352 13.545
22 HB3 LEU 3 2HB LEU 3 30.828 23.099 13.513
23 HG LEU 3 HG LEU 3 29.373 22.850 15.567
24 HD11 LEU 3 1HD1 LEU 3 30.346 20.020 15.226
25 HD12 LEU 3 2HD1 LEU 3 28.720 20.592 15.600
26 HD13 LEU 3 3HD1 LEU 3 29.979 20.646 16.833
27 HD21 LEU 3 1HD2 LEU 3 32.181 21.784 15.949
28 HD22 LEU 3 2HD2 LEU 3 31.247 22.779 17.066
29 HD23 LEU 3 3HD2 LEU 3 31.845 23.470 15.558
30 H LEU 4 H LEU 4 28.646 24.061 11.663
31 HA LEU 4 HA LEU 4 27.662 25.841 13.597
32 HB2 LEU 4 1HB LEU 4 27.148 25.847 10.615
33 HB3 LEU 4 2HB LEU 4 26.931 27.215 11.705
34 HG LEU 4 HG LEU 4 29.565 25.786 11.233
35 HD11 LEU 4 1HD1 LEU 4 28.946 27.003 9.236
36 HD12 LEU 4 2HD1 LEU 4 30.158 27.957 10.091
37 HD13 LEU 4 3HD1 LEU 4 28.455 28.406 10.187
38 HD21 LEU 4 1HD2 LEU 4 29.699 26.746 13.382
39 HD22 LEU 4 2HD2 LEU 4 28.690 28.119 12.931
40 HD23 LEU 4 3HD2 LEU 4 30.350 28.014 12.345
41 H GLU 5 H GLU 5 26.033 23.285 11.907
42 HA GLU 5 HA GLU 5 23.401 24.385 11.995
43 HB2 GLU 5 1HB GLU 5 24.175 22.547 10.473
44 HB3 GLU 5 2HB GLU 5 24.167 21.465 11.864
45 HG2 GLU 5 1HG GLU 5 22.060 21.183 10.752
46 HG3 GLU 5 2HG GLU 5 21.742 22.097 12.221
47 H GLY 6 H GLY 6 25.329 22.670 14.372
48 HA2 GLY 6 1HA GLY 6 24.945 22.685 16.667
49 HA3 GLY 6 2HA GLY 6 23.339 23.327 16.373
50 H GLU 7 H GLU 7 23.294 20.775 14.369
51 HA GLU 7 HA GLU 7 21.637 19.168 15.949
52 HB2 GLU 7 1HB GLU 7 23.329 18.385 13.564
53 HB3 GLU 7 2HB GLU 7 22.032 17.404 14.247
54 HG2 GLU 7 1HG GLU 7 20.444 19.278 13.849
55 HG3 GLU 7 2HG GLU 7 21.743 20.185 13.086
56 H ILE 8 H ILE 8 21.966 17.318 17.169
57 HA ILE 8 HA ILE 8 24.302 17.129 18.669
58 HB ILE 8 HB ILE 8 23.428 14.981 19.473
59 HG12 ILE 8 1HG1 ILE 8 21.021 14.496 18.338
60 HG13 ILE 8 2HG1 ILE 8 21.843 15.180 16.939
61 HG21 ILE 8 1HG2 ILE 8 21.219 15.834 20.229
62 HG22 ILE 8 2HG2 ILE 8 21.329 17.121 19.028
63 HG23 ILE 8 3HG2 ILE 8 22.487 17.055 20.356
64 HD11 ILE 8 1HD1 ILE 8 21.964 12.569 17.546
65 HD12 ILE 8 2HD1 ILE 8 23.335 13.121 18.503
66 HD13 ILE 8 3HD1 ILE 8 23.299 13.408 16.764
67 HA PRO 9 HA PRO 9 27.144 15.014 15.951
68 HB2 PRO 9 1HB PRO 9 28.418 13.319 17.759
69 HB3 PRO 9 2HB PRO 9 28.855 15.012 17.466
70 HG2 PRO 9 1HG PRO 9 27.230 13.833 19.652
71 HG3 PRO 9 2HG PRO 9 28.394 15.170 19.698
72 HD2 PRO 9 1HD PRO 9 25.732 15.625 19.724
73 HD3 PRO 9 2HD PRO 9 26.859 16.726 18.900
74 H PHE 10 H PHE 10 27.122 13.150 14.712
75 HA PHE 10 HA PHE 10 25.042 11.299 14.875
76 HB2 PHE 10 1HB PHE 10 27.771 10.960 13.622
77 HB3 PHE 10 2HB PHE 10 26.395 9.914 13.331
78 HD1 PHE 10 HD1 PHE 10 27.829 13.266 12.776
79 HD2 PHE 10 HD2 PHE 10 24.564 10.614 11.904
80 HE1 PHE 10 HE1 PHE 10 27.093 14.773 10.949
81 HE2 PHE 10 HE2 PHE 10 23.828 12.120 10.077
82 HZ PHE 10 HZ PHE 10 25.092 14.200 9.599
83 HA PRO 11 HA PRO 11 26.150 8.703 18.250
84 HB2 PRO 11 1HB PRO 11 25.514 6.304 16.604
85 HB3 PRO 11 2HB PRO 11 24.857 6.802 18.176
86 HG2 PRO 11 1HG PRO 11 23.437 7.019 15.935
87 HG3 PRO 11 2HG PRO 11 23.317 8.215 17.240
88 HD2 PRO 11 1HD PRO 11 24.705 8.446 14.602
89 HD3 PRO 11 2HD PRO 11 23.877 9.696 15.559
90 HA PRO 12 HA PRO 12 30.359 7.699 17.315
91 HB2 PRO 12 1HB PRO 12 30.945 5.827 19.281
92 HB3 PRO 12 2HB PRO 12 30.976 7.585 19.506
93 HG2 PRO 12 1HG PRO 12 28.876 5.623 20.245
94 HG3 PRO 12 2HG PRO 12 29.423 7.076 21.102
95 HD2 PRO 12 1HD PRO 12 27.113 7.041 19.686
96 HD3 PRO 12 2HD PRO 12 28.118 8.502 19.818
97 H THR 13 H THR 13 28.112 4.995 17.805
98 HA THR 13 HA THR 13 29.660 2.981 16.592
99 HB THR 13 HB THR 13 27.630 2.446 17.815
100 HG1 THR 13 HG1 THR 13 27.063 1.805 15.139
101 HG21 THR 13 1HG2 THR 13 26.344 4.465 17.176
102 HG22 THR 13 2HG2 THR 13 25.420 2.986 16.910
103 HG23 THR 13 3HG2 THR 13 26.163 3.820 15.544
104 H SER 14 H SER 14 27.603 5.497 15.177
105 HA SER 14 HA SER 14 27.571 4.487 12.544
106 HB2 SER 14 1HB SER 14 27.500 7.381 13.413
107 HB3 SER 14 2HB SER 14 26.959 6.740 11.866
108 HG SER 14 HG SER 14 25.132 6.392 12.838
109 H ILE 15 H ILE 15 29.815 6.794 14.123
110 HA ILE 15 HA ILE 15 31.401 7.149 11.811
111 HB ILE 15 HB ILE 15 31.534 8.643 13.779
112 HG12 ILE 15 1HG1 ILE 15 34.236 7.500 13.064
113 HG13 ILE 15 2HG1 ILE 15 33.259 8.409 11.911
114 HG21 ILE 15 1HG2 ILE 15 31.710 7.450 15.732
115 HG22 ILE 15 2HG2 ILE 15 33.412 7.790 15.454
116 HG23 ILE 15 3HG2 ILE 15 32.750 6.213 15.036
117 HD11 ILE 15 1HD1 ILE 15 33.244 10.350 13.371
118 HD12 ILE 15 2HD1 ILE 15 34.913 9.835 13.138
119 HD13 ILE 15 3HD1 ILE 15 34.073 9.448 14.639
120 H LEU 16 H LEU 16 31.404 4.572 14.208
121 HA LEU 16 HA LEU 16 33.824 3.342 13.456
122 HB2 LEU 16 1HB LEU 16 32.409 2.645 15.398
123 HB3 LEU 16 2HB LEU 16 31.279 1.916 14.256
124 HG LEU 16 HG LEU 16 33.235 0.582 13.341
125 HD11 LEU 16 1HD1 LEU 16 35.114 1.827 14.129
126 HD12 LEU 16 2HD1 LEU 16 35.117 0.329 15.058
127 HD13 LEU 16 3HD1 LEU 16 34.515 1.816 15.788
128 HD21 LEU 16 1HD2 LEU 16 33.303 -0.909 15.465
129 HD22 LEU 16 2HD2 LEU 16 31.732 -0.619 14.717
130 HD23 LEU 16 3HD2 LEU 16 32.200 0.279 16.160
131 H LEU 17 H LEU 17 30.595 3.215 11.974
132 HA LEU 17 HA LEU 17 31.171 1.289 10.006
133 HB2 LEU 17 1HB LEU 17 29.413 3.730 9.673
134 HB3 LEU 17 2HB LEU 17 29.379 2.277 8.681
135 HG LEU 17 HG LEU 17 28.799 2.362 11.658
136 HD11 LEU 17 1HD1 LEU 17 26.930 3.357 10.625
137 HD12 LEU 17 2HD1 LEU 17 26.480 1.655 10.711
138 HD13 LEU 17 3HD1 LEU 17 27.064 2.336 9.193
139 HD21 LEU 17 1HD2 LEU 17 29.689 0.202 11.078
140 HD22 LEU 17 2HD2 LEU 17 28.747 0.147 9.588
141 HD23 LEU 17 3HD2 LEU 17 27.936 0.020 11.150
142 H LEU 18 H LEU 18 31.933 4.749 10.120
143 HA LEU 18 HA LEU 18 32.959 4.987 7.501
144 HB2 LEU 18 1HB LEU 18 32.634 6.910 9.079
145 HB3 LEU 18 2HB LEU 18 34.086 6.384 9.933
146 HG LEU 18 HG LEU 18 35.315 6.508 7.723
147 HD11 LEU 18 1HD1 LEU 18 32.633 7.622 6.941
148 HD12 LEU 18 2HD1 LEU 18 33.669 6.497 6.060
149 HD13 LEU 18 3HD1 LEU 18 34.094 8.207 6.143
150 HD21 LEU 18 1HD2 LEU 18 34.077 9.117 8.652
151 HD22 LEU 18 2HD2 LEU 18 35.648 8.903 7.880
152 HD23 LEU 18 3HD2 LEU 18 35.375 8.286 9.508
153 H LEU 19 H LEU 19 34.445 3.714 10.452
154 HA LEU 19 HA LEU 19 37.044 3.299 9.440
155 HB2 LEU 19 1HB LEU 19 36.236 2.935 11.819
156 HB3 LEU 19 2HB LEU 19 35.611 1.380 11.279
157 HG LEU 19 HG LEU 19 38.455 2.044 10.609
158 HD11 LEU 19 1HD1 LEU 19 39.266 1.357 12.768
159 HD12 LEU 19 2HD1 LEU 19 37.637 0.963 13.319
160 HD13 LEU 19 3HD1 LEU 19 38.092 2.645 13.043
161 HD21 LEU 19 1HD2 LEU 19 36.756 -0.382 11.093
162 HD22 LEU 19 2HD2 LEU 19 38.494 -0.510 11.360
163 HD23 LEU 19 3HD2 LEU 19 37.880 -0.053 9.777
164 H ALA 20 H ALA 20 34.088 1.406 9.041
165 HA ALA 20 HA ALA 20 35.196 -0.792 7.670
166 HB1 ALA 20 1HB ALA 20 32.747 -0.325 8.493
167 HB2 ALA 20 2HB ALA 20 33.019 -1.349 7.084
168 HB3 ALA 20 3HB ALA 20 32.536 0.333 6.870
169 H CYS 21 H CYS 21 34.163 2.393 6.503
170 HA CYS 21 HA CYS 21 34.523 1.912 3.751
171 HB2 CYS 21 1HB CYS 21 34.966 4.500 5.255
172 HB3 CYS 21 2HB CYS 21 34.753 4.342 3.514
173 HG CYS 21 HG CYS 21 32.313 4.283 3.881
174 H ILE 22 H ILE 22 36.843 2.843 6.268
175 HA ILE 22 HA ILE 22 39.056 3.290 4.578
176 HB ILE 22 HB ILE 22 39.105 2.110 7.363
177 HG12 ILE 22 1HG1 ILE 22 37.819 4.196 7.343
178 HG13 ILE 22 2HG1 ILE 22 39.375 4.453 8.122
179 HG21 ILE 22 1HG2 ILE 22 41.165 3.604 5.722
180 HG22 ILE 22 2HG2 ILE 22 41.252 1.924 6.252
181 HG23 ILE 22 3HG2 ILE 22 41.343 3.228 7.436
182 HD11 ILE 22 1HD1 ILE 22 38.631 5.217 5.281
183 HD12 ILE 22 2HD1 ILE 22 40.249 5.385 5.962
184 HD13 ILE 22 3HD1 ILE 22 38.911 6.319 6.627
185 H PHE 23 H PHE 23 37.739 0.274 5.940
186 HA PHE 23 HA PHE 23 39.732 -1.450 4.972
187 HB2 PHE 23 1HB PHE 23 37.856 -2.173 6.428
188 HB3 PHE 23 2HB PHE 23 36.774 -2.035 5.055
189 HD1 PHE 23 HD1 PHE 23 36.840 -3.645 3.224
190 HD2 PHE 23 HD2 PHE 23 39.510 -3.972 6.573
191 HE1 PHE 23 HE1 PHE 23 37.417 -5.956 2.537
192 HE2 PHE 23 HE2 PHE 23 40.086 -6.284 5.887
193 HZ PHE 23 HZ PHE 23 39.040 -7.276 3.869
194 H LEU 24 H LEU 24 36.972 0.004 3.276
195 HA LEU 24 HA LEU 24 37.231 -1.399 0.871
196 HB2 LEU 24 1HB LEU 24 35.353 0.141 1.459
197 HB3 LEU 24 2HB LEU 24 36.423 1.498 1.111
198 HG LEU 24 HG LEU 24 36.797 0.485 -1.185
199 HD11 LEU 24 1HD1 LEU 24 34.849 -1.046 -1.874
200 HD12 LEU 24 2HD1 LEU 24 34.595 -1.306 -0.149
201 HD13 LEU 24 3HD1 LEU 24 36.122 -1.775 -0.896
202 HD21 LEU 24 1HD2 LEU 24 35.126 2.346 -0.551
203 HD22 LEU 24 2HD2 LEU 24 33.884 1.098 -0.662
204 HD23 LEU 24 3HD2 LEU 24 34.851 1.509 -2.078
205 H ILE 25 H ILE 25 38.988 1.582 1.880
206 HA ILE 25 HA ILE 25 40.291 1.872 -0.595
207 HB ILE 25 HB ILE 25 41.889 3.298 0.381
208 HG12 ILE 25 1HG1 ILE 25 41.051 2.962 3.220
209 HG13 ILE 25 2HG1 ILE 25 41.985 1.628 2.571
210 HG21 ILE 25 1HG2 ILE 25 39.250 3.606 1.825
211 HG22 ILE 25 2HG2 ILE 25 39.582 4.114 0.169
212 HG23 ILE 25 3HG2 ILE 25 40.420 4.888 1.513
213 HD11 ILE 25 1HD1 ILE 25 43.771 3.158 1.903
214 HD12 ILE 25 2HD1 ILE 25 43.419 3.348 3.620
215 HD13 ILE 25 3HD1 ILE 25 42.820 4.535 2.461
216 H ALA 26 H ALA 26 41.011 -0.304 2.047
217 HA ALA 26 HA ALA 26 43.604 -1.022 1.168
218 HB1 ALA 26 1HB ALA 26 43.559 -2.611 2.838
219 HB2 ALA 26 2HB ALA 26 41.869 -3.025 2.548
220 HB3 ALA 26 3HB ALA 26 42.279 -1.536 3.400
221 H ILE 27 H ILE 27 40.514 -2.813 0.760
222 HA ILE 27 HA ILE 27 41.633 -4.784 -0.914
223 HB ILE 27 HB ILE 27 39.448 -5.003 0.239
224 HG12 ILE 27 1HG1 ILE 27 38.282 -6.063 -1.757
225 HG13 ILE 27 2HG1 ILE 27 39.591 -5.425 -2.752
226 HG21 ILE 27 1HG2 ILE 27 37.491 -3.930 -0.529
227 HG22 ILE 27 2HG2 ILE 27 38.265 -3.392 -2.019
228 HG23 ILE 27 3HG2 ILE 27 38.698 -2.647 -0.481
229 HD11 ILE 27 1HD1 ILE 27 41.216 -6.754 -1.686
230 HD12 ILE 27 2HD1 ILE 27 39.834 -7.839 -1.828
231 HD13 ILE 27 3HD1 ILE 27 40.184 -7.053 -0.288
232 H LEU 28 H LEU 28 40.419 -1.555 -1.658
233 HA LEU 28 HA LEU 28 40.309 -1.793 -4.459
234 HB2 LEU 28 1HB LEU 28 39.478 0.157 -3.157
235 HB3 LEU 28 2HB LEU 28 41.150 0.633 -2.859
236 HG LEU 28 HG LEU 28 41.491 0.669 -5.365
237 HD11 LEU 28 1HD1 LEU 28 38.502 0.219 -5.246
238 HD12 LEU 28 2HD1 LEU 28 39.702 -0.705 -6.149
239 HD13 LEU 28 3HD1 LEU 28 39.291 0.933 -6.652
240 HD21 LEU 28 1HD2 LEU 28 40.162 2.810 -5.657
241 HD22 LEU 28 2HD2 LEU 28 41.172 2.763 -4.213
242 HD23 LEU 28 3HD2 LEU 28 39.435 2.489 -4.083
243 H ALA 29 H ALA 29 43.050 -1.191 -2.280
244 HA ALA 29 HA ALA 29 45.003 -0.732 -4.250
245 HB1 ALA 29 1HB ALA 29 45.476 -2.267 -1.694
246 HB2 ALA 29 2HB ALA 29 45.265 -0.516 -1.730
247 HB3 ALA 29 3HB ALA 29 46.620 -1.259 -2.580
248 H ALA 30 H ALA 30 43.753 -3.750 -2.885
249 HA ALA 30 HA ALA 30 45.515 -5.501 -4.224
250 HB1 ALA 30 1HB ALA 30 43.423 -7.097 -4.022
251 HB2 ALA 30 2HB ALA 30 42.796 -5.794 -3.014
252 HB3 ALA 30 3HB ALA 30 44.308 -6.590 -2.585
253 H SER 31 H SER 31 42.419 -4.092 -5.246
254 HA SER 31 HA SER 31 42.158 -5.525 -7.647
255 HB2 SER 31 1HB SER 31 40.555 -3.919 -8.307
256 HB3 SER 31 2HB SER 31 40.447 -3.987 -6.552
257 HG SER 31 HG SER 31 41.239 -2.022 -6.432
258 H ALA 32 H ALA 32 44.039 -2.600 -6.918
259 HA ALA 32 HA ALA 32 44.766 -1.965 -9.558
260 HB1 ALA 32 1HB ALA 32 45.225 -0.537 -7.565
261 HB2 ALA 32 2HB ALA 32 46.641 -0.766 -8.590
262 HB3 ALA 32 3HB ALA 32 46.487 -1.671 -7.085
263 H LEU 33 H LEU 33 46.209 -4.225 -7.224
264 HA LEU 33 HA LEU 33 48.378 -5.039 -8.836
265 HB2 LEU 33 1HB LEU 33 46.853 -6.327 -6.599
266 HB3 LEU 33 2HB LEU 33 48.010 -7.284 -7.511
267 HG LEU 33 HG LEU 33 48.982 -6.272 -5.459
268 HD11 LEU 33 1HD1 LEU 33 51.035 -5.677 -6.444
269 HD12 LEU 33 2HD1 LEU 33 50.255 -4.980 -7.864
270 HD13 LEU 33 3HD1 LEU 33 50.274 -6.730 -7.637
271 HD21 LEU 33 1HD2 LEU 33 47.666 -4.169 -5.461
272 HD22 LEU 33 2HD2 LEU 33 48.548 -3.633 -6.891
273 HD23 LEU 33 3HD2 LEU 33 49.398 -3.858 -5.363
274 H TRP 34 H TRP 34 44.994 -6.109 -8.792
275 HA TRP 34 HA TRP 34 45.240 -8.203 -10.660
276 HB2 TRP 34 1HB TRP 34 43.159 -7.597 -9.371
277 HB3 TRP 34 2HB TRP 34 42.914 -6.293 -10.514
278 HD1 TRP 34 HD1 TRP 34 41.652 -6.845 -12.654
279 HE1 TRP 34 HE1 TRP 34 40.817 -9.010 -13.775
280 HE3 TRP 34 HE3 TRP 34 43.876 -10.315 -9.637
281 HZ2 TRP 34 HZ2 TRP 34 41.060 -11.843 -13.437
282 HZ3 TRP 34 HZ3 TRP 34 43.559 -12.733 -10.058
283 HH2 TRP 34 HH2 TRP 34 42.155 -13.502 -11.950
284 H ALA 35 H ALA 35 45.123 -4.712 -11.132
285 HA ALA 35 HA ALA 35 44.888 -4.665 -13.934
286 HB1 ALA 35 1HB ALA 35 45.015 -2.722 -12.152
287 HB2 ALA 35 2HB ALA 35 45.538 -2.446 -13.813
288 HB3 ALA 35 3HB ALA 35 46.733 -2.755 -12.554
289 H ALA 36 H ALA 36 47.735 -5.064 -11.858
290 HA ALA 36 HA ALA 36 49.674 -5.279 -13.888
291 HB1 ALA 36 1HB ALA 36 49.869 -5.329 -11.253
292 HB2 ALA 36 2HB ALA 36 51.091 -6.104 -12.262
293 HB3 ALA 36 3HB ALA 36 49.829 -7.075 -11.505
294 H ALA 37 H ALA 37 47.474 -7.720 -12.552
295 HA ALA 37 HA ALA 37 48.391 -9.946 -13.975
296 HB1 ALA 37 1HB ALA 37 45.467 -9.448 -13.482
297 HB2 ALA 37 2HB ALA 37 46.573 -9.788 -12.151
298 HB3 ALA 37 3HB ALA 37 46.351 -10.974 -13.438
299 H TRP 38 H TRP 38 46.291 -7.315 -15.023
300 HA TRP 38 HA TRP 38 45.308 -8.363 -17.392
301 HB2 TRP 38 1HB TRP 38 44.758 -6.143 -16.321
302 HB3 TRP 38 2HB TRP 38 46.221 -5.515 -17.053
303 HD1 TRP 38 HD1 TRP 38 45.906 -4.454 -19.336
304 HE1 TRP 38 HE1 TRP 38 44.122 -4.567 -21.193
305 HE3 TRP 38 HE3 TRP 38 42.836 -8.040 -17.390
306 HZ2 TRP 38 HZ2 TRP 38 41.707 -5.996 -21.778
307 HZ3 TRP 38 HZ3 TRP 38 40.808 -8.758 -18.613
308 HH2 TRP 38 HH2 TRP 38 40.238 -7.743 -20.800
309 H HIS 39 H HIS 39 48.576 -7.320 -16.712
310 HA HIS 39 HA HIS 39 49.472 -6.711 -19.286
311 HB2 HIS 39 1HB HIS 39 50.964 -8.014 -17.013
312 HB3 HIS 39 2HB HIS 39 51.715 -7.340 -18.445
313 HD1 HIS 39 HD1 HIS 39 50.031 -4.713 -18.622
314 HD2 HIS 39 HD2 HIS 39 51.812 -6.147 -15.136
315 HE1 HIS 39 HE1 HIS 39 50.327 -2.716 -17.097
316 H GLY 40 H GLY 40 48.706 -9.833 -17.915
317 HA2 GLY 40 1HA GLY 40 50.386 -11.498 -19.396
318 HA3 GLY 40 2HA GLY 40 48.804 -11.958 -18.785
319 H GLN 41 H GLN 41 47.401 -9.885 -20.374
320 HA GLN 41 HA GLN 41 46.801 -11.358 -22.679
321 HB2 GLN 41 1HB GLN 41 45.360 -9.587 -21.683
322 HB3 GLN 41 2HB GLN 41 46.490 -8.373 -22.278
323 HG2 GLN 41 1HG GLN 41 44.762 -8.494 -23.913
324 HG3 GLN 41 2HG GLN 41 46.123 -9.372 -24.604
325 HE21 GLN 41 1HE2 GLN 41 45.573 -11.380 -25.445
326 HE22 GLN 41 2HE2 GLN 41 44.248 -12.316 -24.944
327 H LYS 42 H LYS 42 47.581 -11.356 -24.754
328 HA LYS 42 HA LYS 42 50.103 -10.372 -25.433
329 HB2 LYS 42 1HB LYS 42 47.712 -11.144 -27.100
330 HB3 LYS 42 2HB LYS 42 49.215 -10.590 -27.838
331 HG2 LYS 42 1HG LYS 42 50.362 -12.365 -26.335
332 HG3 LYS 42 2HG LYS 42 48.744 -13.048 -26.159
333 HD2 LYS 42 1HD LYS 42 48.551 -13.495 -28.473
334 HD3 LYS 42 2HD LYS 42 49.888 -12.417 -28.879
335 HE2 LYS 42 1HE LYS 42 51.505 -13.918 -27.964
336 HE3 LYS 42 2HE LYS 42 50.260 -14.893 -27.184
337 HZ1 LYS 42 1HZ LYS 42 51.298 -15.639 -29.433
338 HZ2 LYS 42 2HZ LYS 42 50.184 -14.543 -30.097
339 HZ3 LYS 42 3HZ LYS 42 49.638 -15.845 -29.153
340 HA PRO 43 HA PRO 43 49.381 -5.981 -25.929
341 HB2 PRO 43 1HB PRO 43 51.043 -6.116 -28.399
342 HB3 PRO 43 2HB PRO 43 51.230 -5.083 -26.968
343 HG2 PRO 43 1HG PRO 43 52.853 -7.136 -27.399
344 HG3 PRO 43 2HG PRO 43 52.312 -6.714 -25.762
345 HD2 PRO 43 1HD PRO 43 51.397 -8.960 -27.522
346 HD3 PRO 43 2HD PRO 43 51.604 -8.921 -25.756
347 H GLY 44 H GLY 44 47.941 -4.677 -27.053
348 HA2 GLY 44 1HA GLY 44 45.999 -5.875 -28.667
349 HA3 GLY 44 2HA GLY 44 46.238 -4.141 -28.505
350 H THR 45 H THR 45 49.015 -4.317 -29.583
351 HA THR 45 HA THR 45 48.485 -3.765 -32.271
352 HB THR 45 HB THR 45 50.513 -2.960 -31.230
353 HG1 THR 45 HG1 THR 45 51.088 -4.890 -33.224
354 HG21 THR 45 1HG2 THR 45 52.361 -4.877 -31.019
355 HG22 THR 45 2HG2 THR 45 50.941 -5.869 -30.696
356 HG23 THR 45 3HG2 THR 45 51.292 -4.471 -29.678
357 H HIS 46 H HIS 46 48.696 -4.916 -34.164
358 HA HIS 46 HA HIS 46 48.228 -7.740 -34.041
359 HB2 HIS 46 1HB HIS 46 47.253 -6.354 -35.800
360 HB3 HIS 46 2HB HIS 46 48.852 -5.923 -36.373
361 HD1 HIS 46 HD1 HIS 46 46.897 -9.158 -35.787
362 HD2 HIS 46 HD2 HIS 46 49.592 -7.495 -38.499
363 HE1 HIS 46 HE1 HIS 46 47.234 -10.882 -37.610
Start of MODEL 12
1 H ARG 1 3H ARG 1 17.239 -10.505 30.902
2 HA ARG 1 HA ARG 1 18.176 -11.690 29.110
3 HB2 ARG 1 1HB ARG 1 15.174 -11.433 28.755
4 HB3 ARG 1 2HB ARG 1 16.159 -12.752 28.121
5 HG2 ARG 1 1HG ARG 1 16.891 -13.278 30.445
6 HG3 ARG 1 2HG ARG 1 15.805 -12.024 31.043
7 HD2 ARG 1 1HD ARG 1 13.913 -13.227 29.890
8 HD3 ARG 1 2HD ARG 1 15.036 -14.538 29.542
9 HE ARG 1 HE ARG 1 13.772 -13.996 32.053
10 HH11 ARG 1 1HH1 ARG 1 16.730 -15.277 30.663
11 HH12 ARG 1 2HH1 ARG 1 17.075 -16.256 32.049
12 HH21 ARG 1 1HH2 ARG 1 14.270 -15.276 33.811
13 HH22 ARG 1 2HH2 ARG 1 15.699 -16.255 33.808
14 H SER 2 H SER 2 15.553 -9.744 27.658
15 HA SER 2 HA SER 2 16.544 -9.790 25.044
16 HB2 SER 2 1HB SER 2 15.009 -7.973 24.598
17 HB3 SER 2 2HB SER 2 14.248 -9.108 25.707
18 HG SER 2 HG SER 2 15.495 -6.625 26.299
19 H LEU 3 H LEU 3 17.552 -7.817 27.749
20 HA LEU 3 HA LEU 3 18.635 -5.608 26.425
21 HB2 LEU 3 1HB LEU 3 18.367 -5.852 28.888
22 HB3 LEU 3 2HB LEU 3 19.741 -6.958 28.893
23 HG LEU 3 HG LEU 3 21.105 -5.124 27.810
24 HD11 LEU 3 1HD1 LEU 3 20.023 -2.792 28.341
25 HD12 LEU 3 2HD1 LEU 3 18.504 -3.686 28.273
26 HD13 LEU 3 3HD1 LEU 3 19.563 -3.637 26.863
27 HD21 LEU 3 1HD2 LEU 3 19.853 -4.582 30.520
28 HD22 LEU 3 2HD2 LEU 3 21.331 -3.822 29.929
29 HD23 LEU 3 3HD2 LEU 3 21.284 -5.563 30.208
30 H LEU 4 H LEU 4 19.846 -8.883 26.596
31 HA LEU 4 HA LEU 4 22.586 -8.428 26.184
32 HB2 LEU 4 1HB LEU 4 20.749 -10.720 25.597
33 HB3 LEU 4 2HB LEU 4 22.411 -10.754 25.010
34 HG LEU 4 HG LEU 4 22.981 -10.055 27.492
35 HD11 LEU 4 1HD1 LEU 4 20.341 -11.510 27.824
36 HD12 LEU 4 2HD1 LEU 4 20.592 -9.793 28.144
37 HD13 LEU 4 3HD1 LEU 4 21.421 -11.002 29.121
38 HD21 LEU 4 1HD2 LEU 4 23.228 -12.430 28.060
39 HD22 LEU 4 2HD2 LEU 4 23.649 -12.171 26.368
40 HD23 LEU 4 3HD2 LEU 4 22.086 -12.869 26.790
41 H GLU 5 H GLU 5 19.931 -8.119 23.979
42 HA GLU 5 HA GLU 5 21.356 -8.599 21.559
43 HB2 GLU 5 1HB GLU 5 18.784 -7.104 22.085
44 HB3 GLU 5 2HB GLU 5 19.383 -7.540 20.484
45 HG2 GLU 5 1HG GLU 5 18.784 -9.499 22.718
46 HG3 GLU 5 2HG GLU 5 17.739 -9.190 21.337
47 H GLY 6 H GLY 6 21.178 -5.804 23.625
48 HA2 GLY 6 1HA GLY 6 22.225 -3.757 23.474
49 HA3 GLY 6 2HA GLY 6 23.137 -4.403 22.116
50 H GLU 7 H GLU 7 19.629 -4.335 22.063
51 HA GLU 7 HA GLU 7 19.457 -3.068 19.583
52 HB2 GLU 7 1HB GLU 7 17.412 -3.239 21.802
53 HB3 GLU 7 2HB GLU 7 17.059 -2.733 20.150
54 HG2 GLU 7 1HG GLU 7 17.941 -4.907 19.324
55 HG3 GLU 7 2HG GLU 7 18.198 -5.413 20.989
56 H ILE 8 H ILE 8 19.845 -1.633 22.747
57 HA ILE 8 HA ILE 8 18.700 0.874 22.358
58 HB ILE 8 HB ILE 8 21.207 0.151 23.902
59 HG12 ILE 8 1HG1 ILE 8 18.353 0.436 24.877
60 HG13 ILE 8 2HG1 ILE 8 19.085 -1.114 24.458
61 HG21 ILE 8 1HG2 ILE 8 19.339 2.522 24.200
62 HG22 ILE 8 2HG2 ILE 8 20.978 2.591 23.553
63 HG23 ILE 8 3HG2 ILE 8 20.714 2.154 25.241
64 HD11 ILE 8 1HD1 ILE 8 19.929 0.798 26.645
65 HD12 ILE 8 2HD1 ILE 8 20.950 -0.531 26.098
66 HD13 ILE 8 3HD1 ILE 8 19.376 -0.867 26.819
67 HA PRO 9 HA PRO 9 21.159 2.628 19.085
68 HB2 PRO 9 1HB PRO 9 21.118 5.217 20.555
69 HB3 PRO 9 2HB PRO 9 20.605 4.849 18.897
70 HG2 PRO 9 1HG PRO 9 18.831 5.286 20.820
71 HG3 PRO 9 2HG PRO 9 18.549 4.072 19.559
72 HD2 PRO 9 1HD PRO 9 19.345 3.667 22.411
73 HD3 PRO 9 2HD PRO 9 18.284 2.677 21.383
74 H PHE 10 H PHE 10 23.290 2.921 18.621
75 HA PHE 10 HA PHE 10 25.113 3.857 20.717
76 HB2 PHE 10 1HB PHE 10 25.236 1.200 19.325
77 HB3 PHE 10 2HB PHE 10 26.706 1.981 19.877
78 HD1 PHE 10 HD1 PHE 10 26.512 2.905 22.416
79 HD2 PHE 10 HD2 PHE 10 24.245 -0.333 20.738
80 HE1 PHE 10 HE1 PHE 10 26.119 2.002 24.692
81 HE2 PHE 10 HE2 PHE 10 23.852 -1.238 23.014
82 HZ PHE 10 HZ PHE 10 24.790 -0.069 24.991
83 HA PRO 11 HA PRO 11 25.556 5.575 16.360
84 HB2 PRO 11 1HB PRO 11 26.082 8.190 17.278
85 HB3 PRO 11 2HB PRO 11 24.569 7.570 16.605
86 HG2 PRO 11 1HG PRO 11 25.319 8.056 19.401
87 HG3 PRO 11 2HG PRO 11 23.728 8.055 18.631
88 HD2 PRO 11 1HD PRO 11 24.615 6.036 20.262
89 HD3 PRO 11 2HD PRO 11 23.395 5.815 18.991
90 HA PRO 12 HA PRO 12 30.095 6.845 17.713
91 HB2 PRO 12 1HB PRO 12 30.345 4.867 19.931
92 HB3 PRO 12 2HB PRO 12 31.096 6.463 19.751
93 HG2 PRO 12 1HG PRO 12 29.072 6.049 21.429
94 HG3 PRO 12 2HG PRO 12 29.260 7.572 20.541
95 HD2 PRO 12 1HD PRO 12 27.315 5.360 20.081
96 HD3 PRO 12 2HD PRO 12 27.142 7.102 19.782
97 H THR 13 H THR 13 28.621 3.638 18.202
98 HA THR 13 HA THR 13 30.603 2.096 16.938
99 HB THR 13 HB THR 13 27.613 1.645 16.822
100 HG1 THR 13 HG1 THR 13 28.128 0.346 18.708
101 HG21 THR 13 1HG2 THR 13 29.962 -0.266 16.693
102 HG22 THR 13 2HG2 THR 13 28.981 0.233 15.314
103 HG23 THR 13 3HG2 THR 13 28.258 -0.712 16.615
104 H SER 14 H SER 14 28.004 4.087 15.594
105 HA SER 14 HA SER 14 28.111 3.100 12.956
106 HB2 SER 14 1HB SER 14 26.298 4.548 13.898
107 HB3 SER 14 2HB SER 14 27.407 5.913 13.807
108 HG SER 14 HG SER 14 26.371 5.952 11.895
109 H ILE 15 H ILE 15 29.762 5.934 14.422
110 HA ILE 15 HA ILE 15 31.074 6.683 12.036
111 HB ILE 15 HB ILE 15 32.674 7.909 13.481
112 HG12 ILE 15 1HG1 ILE 15 31.044 6.858 15.797
113 HG13 ILE 15 2HG1 ILE 15 32.592 6.146 15.335
114 HG21 ILE 15 1HG2 ILE 15 31.003 9.431 14.407
115 HG22 ILE 15 2HG2 ILE 15 29.773 8.171 14.320
116 HG23 ILE 15 3HG2 ILE 15 30.456 8.840 12.838
117 HD11 ILE 15 1HD1 ILE 15 32.050 8.961 16.292
118 HD12 ILE 15 2HD1 ILE 15 33.555 8.513 15.490
119 HD13 ILE 15 3HD1 ILE 15 33.110 7.753 17.018
120 H LEU 16 H LEU 16 31.949 4.296 14.510
121 HA LEU 16 HA LEU 16 34.515 3.674 13.513
122 HB2 LEU 16 1HB LEU 16 32.471 1.822 14.763
123 HB3 LEU 16 2HB LEU 16 34.181 1.455 14.543
124 HG LEU 16 HG LEU 16 33.153 3.823 16.128
125 HD11 LEU 16 1HD1 LEU 16 33.422 2.574 18.097
126 HD12 LEU 16 2HD1 LEU 16 34.427 1.362 17.303
127 HD13 LEU 16 3HD1 LEU 16 32.689 1.403 17.001
128 HD21 LEU 16 1HD2 LEU 16 35.555 3.683 17.007
129 HD22 LEU 16 2HD2 LEU 16 35.373 4.249 15.347
130 HD23 LEU 16 3HD2 LEU 16 35.876 2.588 15.662
131 H LEU 17 H LEU 17 31.290 2.624 12.456
132 HA LEU 17 HA LEU 17 32.118 0.759 10.524
133 HB2 LEU 17 1HB LEU 17 29.737 1.205 11.252
134 HB3 LEU 17 2HB LEU 17 29.762 2.620 10.198
135 HG LEU 17 HG LEU 17 30.493 1.066 8.322
136 HD11 LEU 17 1HD1 LEU 17 29.877 -0.912 10.509
137 HD12 LEU 17 2HD1 LEU 17 31.260 -0.871 9.418
138 HD13 LEU 17 3HD1 LEU 17 29.676 -1.356 8.814
139 HD21 LEU 17 1HD2 LEU 17 28.216 1.862 8.377
140 HD22 LEU 17 2HD2 LEU 17 27.797 0.734 9.666
141 HD23 LEU 17 3HD2 LEU 17 28.151 0.130 8.047
142 H LEU 18 H LEU 18 31.934 4.293 10.376
143 HA LEU 18 HA LEU 18 32.495 4.596 7.631
144 HB2 LEU 18 1HB LEU 18 31.867 6.451 9.204
145 HB3 LEU 18 2HB LEU 18 33.514 6.396 9.836
146 HG LEU 18 HG LEU 18 34.316 6.693 7.440
147 HD11 LEU 18 1HD1 LEU 18 31.346 7.064 7.115
148 HD12 LEU 18 2HD1 LEU 18 32.466 6.158 6.099
149 HD13 LEU 18 3HD1 LEU 18 32.467 7.921 6.057
150 HD21 LEU 18 1HD2 LEU 18 33.884 9.136 7.467
151 HD22 LEU 18 2HD2 LEU 18 34.321 8.539 9.068
152 HD23 LEU 18 3HD2 LEU 18 32.636 8.891 8.690
153 H LEU 19 H LEU 19 34.658 4.043 10.391
154 HA LEU 19 HA LEU 19 37.104 4.130 8.990
155 HB2 LEU 19 1HB LEU 19 36.704 3.838 11.504
156 HB3 LEU 19 2HB LEU 19 36.500 2.122 11.159
157 HG LEU 19 HG LEU 19 38.917 3.504 10.049
158 HD11 LEU 19 1HD1 LEU 19 39.155 4.295 12.252
159 HD12 LEU 19 2HD1 LEU 19 40.054 2.778 12.273
160 HD13 LEU 19 3HD1 LEU 19 38.426 2.848 12.948
161 HD21 LEU 19 1HD2 LEU 19 39.796 1.142 10.900
162 HD22 LEU 19 2HD2 LEU 19 38.884 1.272 9.400
163 HD23 LEU 19 3HD2 LEU 19 38.078 0.745 10.876
164 H ALA 20 H ALA 20 34.672 1.574 9.240
165 HA ALA 20 HA ALA 20 36.054 -0.444 7.845
166 HB1 ALA 20 1HB ALA 20 33.118 -0.078 7.415
167 HB2 ALA 20 2HB ALA 20 33.701 -0.430 9.043
168 HB3 ALA 20 3HB ALA 20 34.032 -1.554 7.725
169 H CYS 21 H CYS 21 34.167 2.316 6.667
170 HA CYS 21 HA CYS 21 34.179 1.649 3.931
171 HB2 CYS 21 1HB CYS 21 34.379 4.437 5.094
172 HB3 CYS 21 2HB CYS 21 33.791 3.999 3.491
173 HG CYS 21 HG CYS 21 31.849 4.298 5.429
174 H ILE 22 H ILE 22 36.611 3.285 5.938
175 HA ILE 22 HA ILE 22 38.428 3.919 3.874
176 HB ILE 22 HB ILE 22 39.074 3.100 6.722
177 HG12 ILE 22 1HG1 ILE 22 38.643 5.866 5.550
178 HG13 ILE 22 2HG1 ILE 22 37.428 4.992 6.482
179 HG21 ILE 22 1HG2 ILE 22 41.024 3.121 5.179
180 HG22 ILE 22 2HG2 ILE 22 41.120 4.410 6.378
181 HG23 ILE 22 3HG2 ILE 22 40.627 4.779 4.725
182 HD11 ILE 22 1HD1 ILE 22 40.167 5.863 7.441
183 HD12 ILE 22 2HD1 ILE 22 39.079 4.828 8.367
184 HD13 ILE 22 3HD1 ILE 22 38.609 6.486 7.985
185 H PHE 23 H PHE 23 37.923 0.895 5.689
186 HA PHE 23 HA PHE 23 40.039 -0.565 4.553
187 HB2 PHE 23 1HB PHE 23 38.518 -1.348 6.400
188 HB3 PHE 23 2HB PHE 23 37.318 -1.701 5.172
189 HD1 PHE 23 HD1 PHE 23 40.646 -2.614 6.495
190 HD2 PHE 23 HD2 PHE 23 37.511 -3.624 3.739
191 HE1 PHE 23 HE1 PHE 23 41.689 -4.833 6.122
192 HE2 PHE 23 HE2 PHE 23 38.554 -5.843 3.364
193 HZ PHE 23 HZ PHE 23 40.643 -6.447 4.557
194 H LEU 24 H LEU 24 36.808 0.145 3.245
195 HA LEU 24 HA LEU 24 36.963 -1.447 0.951
196 HB2 LEU 24 1HB LEU 24 34.952 -0.129 1.694
197 HB3 LEU 24 2HB LEU 24 35.732 1.310 1.035
198 HG LEU 24 HG LEU 24 35.960 0.021 -1.156
199 HD11 LEU 24 1HD1 LEU 24 35.595 -2.226 -0.579
200 HD12 LEU 24 2HD1 LEU 24 34.056 -1.758 -1.301
201 HD13 LEU 24 3HD1 LEU 24 34.219 -1.836 0.453
202 HD21 LEU 24 1HD2 LEU 24 33.100 0.447 -0.263
203 HD22 LEU 24 2HD2 LEU 24 33.776 0.675 -1.876
204 HD23 LEU 24 3HD2 LEU 24 34.202 1.788 -0.576
205 H ILE 25 H ILE 25 38.329 1.793 1.538
206 HA ILE 25 HA ILE 25 39.402 2.197 -1.026
207 HB ILE 25 HB ILE 25 40.692 2.983 1.601
208 HG12 ILE 25 1HG1 ILE 25 38.788 4.547 -0.169
209 HG13 ILE 25 2HG1 ILE 25 38.297 3.723 1.312
210 HG21 ILE 25 1HG2 ILE 25 42.117 3.144 -0.469
211 HG22 ILE 25 2HG2 ILE 25 41.802 4.698 0.302
212 HG23 ILE 25 3HG2 ILE 25 40.912 4.238 -1.148
213 HD11 ILE 25 1HD1 ILE 25 40.150 6.082 1.002
214 HD12 ILE 25 2HD1 ILE 25 40.202 5.070 2.445
215 HD13 ILE 25 3HD1 ILE 25 38.720 5.931 2.025
216 H ALA 26 H ALA 26 40.630 0.232 1.667
217 HA ALA 26 HA ALA 26 43.051 -0.568 0.503
218 HB1 ALA 26 1HB ALA 26 42.027 -1.121 2.840
219 HB2 ALA 26 2HB ALA 26 43.093 -2.295 2.069
220 HB3 ALA 26 3HB ALA 26 41.345 -2.523 2.013
221 H ILE 27 H ILE 27 39.763 -1.842 0.040
222 HA ILE 27 HA ILE 27 40.432 -3.995 -1.643
223 HB ILE 27 HB ILE 27 37.950 -2.280 -1.841
224 HG12 ILE 27 1HG1 ILE 27 38.260 -3.031 0.476
225 HG13 ILE 27 2HG1 ILE 27 36.934 -3.907 -0.277
226 HG21 ILE 27 1HG2 ILE 27 38.569 -5.135 -2.634
227 HG22 ILE 27 2HG2 ILE 27 38.185 -3.793 -3.713
228 HG23 ILE 27 3HG2 ILE 27 36.950 -4.436 -2.630
229 HD11 ILE 27 1HD1 ILE 27 38.337 -5.451 1.000
230 HD12 ILE 27 2HD1 ILE 27 39.763 -4.936 0.104
231 HD13 ILE 27 3HD1 ILE 27 38.474 -5.815 -0.719
232 H LEU 28 H LEU 28 40.006 -0.548 -2.359
233 HA LEU 28 HA LEU 28 40.215 -0.709 -5.167
234 HB2 LEU 28 1HB LEU 28 39.680 1.374 -3.876
235 HB3 LEU 28 2HB LEU 28 41.386 1.480 -3.441
236 HG LEU 28 HG LEU 28 41.896 1.375 -5.937
237 HD11 LEU 28 1HD1 LEU 28 39.924 0.592 -6.938
238 HD12 LEU 28 2HD1 LEU 28 39.850 2.324 -7.259
239 HD13 LEU 28 3HD1 LEU 28 38.896 1.629 -5.949
240 HD21 LEU 28 1HD2 LEU 28 41.547 3.754 -6.214
241 HD22 LEU 28 2HD2 LEU 28 41.905 3.459 -4.511
242 HD23 LEU 28 3HD2 LEU 28 40.243 3.748 -5.025
243 H ALA 29 H ALA 29 42.711 -0.738 -2.654
244 HA ALA 29 HA ALA 29 44.973 -0.759 -4.331
245 HB1 ALA 29 1HB ALA 29 44.807 -0.709 -1.733
246 HB2 ALA 29 2HB ALA 29 46.179 -1.525 -2.482
247 HB3 ALA 29 3HB ALA 29 44.821 -2.467 -1.865
248 H ALA 30 H ALA 30 42.812 -3.376 -3.319
249 HA ALA 30 HA ALA 30 44.191 -5.523 -4.503
250 HB1 ALA 30 1HB ALA 30 42.229 -6.765 -4.235
251 HB2 ALA 30 2HB ALA 30 41.191 -5.368 -4.518
252 HB3 ALA 30 3HB ALA 30 42.071 -5.519 -2.997
253 H SER 31 H SER 31 41.872 -3.218 -5.890
254 HA SER 31 HA SER 31 41.655 -4.353 -8.444
255 HB2 SER 31 1HB SER 31 41.696 -1.399 -7.788
256 HB3 SER 31 2HB SER 31 40.993 -2.149 -9.216
257 HG SER 31 HG SER 31 39.691 -3.380 -7.639
258 H ALA 32 H ALA 32 44.138 -2.178 -7.115
259 HA ALA 32 HA ALA 32 45.620 -1.815 -9.477
260 HB1 ALA 32 1HB ALA 32 45.998 -0.625 -7.290
261 HB2 ALA 32 2HB ALA 32 47.471 -1.221 -8.058
262 HB3 ALA 32 3HB ALA 32 46.773 -2.093 -6.694
263 H LEU 33 H LEU 33 45.689 -4.419 -7.063
264 HA LEU 33 HA LEU 33 47.849 -5.873 -8.135
265 HB2 LEU 33 1HB LEU 33 46.759 -6.342 -5.940
266 HB3 LEU 33 2HB LEU 33 45.384 -7.022 -6.810
267 HG LEU 33 HG LEU 33 47.032 -8.585 -7.958
268 HD11 LEU 33 1HD1 LEU 33 49.121 -7.498 -7.586
269 HD12 LEU 33 2HD1 LEU 33 49.150 -8.924 -6.547
270 HD13 LEU 33 3HD1 LEU 33 48.813 -7.335 -5.857
271 HD21 LEU 33 1HD2 LEU 33 45.566 -9.282 -6.078
272 HD22 LEU 33 2HD2 LEU 33 46.808 -8.769 -4.936
273 HD23 LEU 33 3HD2 LEU 33 47.122 -10.113 -6.034
274 H TRP 34 H TRP 34 44.414 -5.818 -9.041
275 HA TRP 34 HA TRP 34 44.476 -7.912 -10.924
276 HB2 TRP 34 1HB TRP 34 42.428 -6.699 -10.150
277 HB3 TRP 34 2HB TRP 34 42.898 -5.356 -11.172
278 HD1 TRP 34 HD1 TRP 34 41.527 -8.898 -11.299
279 HE1 TRP 34 HE1 TRP 34 40.593 -9.346 -13.658
280 HE3 TRP 34 HE3 TRP 34 43.133 -4.686 -13.695
281 HZ2 TRP 34 HZ2 TRP 34 40.536 -8.081 -16.229
282 HZ3 TRP 34 HZ3 TRP 34 42.629 -4.332 -16.092
283 HH2 TRP 34 HH2 TRP 34 41.334 -6.021 -17.363
284 H ALA 35 H ALA 35 45.515 -4.547 -11.190
285 HA ALA 35 HA ALA 35 46.054 -4.507 -13.954
286 HB1 ALA 35 1HB ALA 35 46.224 -2.619 -12.138
287 HB2 ALA 35 2HB ALA 35 47.273 -2.568 -13.555
288 HB3 ALA 35 3HB ALA 35 47.900 -3.156 -12.015
289 H ALA 36 H ALA 36 48.034 -5.589 -11.223
290 HA ALA 36 HA ALA 36 50.297 -6.413 -12.684
291 HB1 ALA 36 1HB ALA 36 49.908 -6.289 -10.120
292 HB2 ALA 36 2HB ALA 36 50.960 -7.554 -10.756
293 HB3 ALA 36 3HB ALA 36 49.301 -7.935 -10.295
294 H ALA 37 H ALA 37 47.239 -8.068 -12.042
295 HA ALA 37 HA ALA 37 47.908 -10.613 -12.981
296 HB1 ALA 37 1HB ALA 37 45.637 -11.075 -12.950
297 HB2 ALA 37 2HB ALA 37 45.195 -9.460 -13.504
298 HB3 ALA 37 3HB ALA 37 45.735 -9.705 -11.843
299 H TRP 38 H TRP 38 46.916 -7.739 -14.781
300 HA TRP 38 HA TRP 38 46.489 -8.863 -17.281
301 HB2 TRP 38 1HB TRP 38 46.094 -6.502 -16.726
302 HB3 TRP 38 2HB TRP 38 47.826 -6.229 -16.675
303 HD1 TRP 38 HD1 TRP 38 44.913 -6.670 -19.044
304 HE1 TRP 38 HE1 TRP 38 45.680 -6.129 -21.444
305 HE3 TRP 38 HE3 TRP 38 49.948 -6.280 -18.293
306 HZ2 TRP 38 HZ2 TRP 38 48.112 -5.602 -22.861
307 HZ3 TRP 38 HZ3 TRP 38 51.464 -5.760 -20.180
308 HH2 TRP 38 HH2 TRP 38 50.556 -5.419 -22.460
309 H HIS 39 H HIS 39 49.535 -8.421 -15.624
310 HA HIS 39 HA HIS 39 51.304 -8.388 -17.783
311 HB2 HIS 39 1HB HIS 39 51.941 -7.959 -15.451
312 HB3 HIS 39 2HB HIS 39 51.695 -9.654 -15.074
313 HD1 HIS 39 HD1 HIS 39 53.772 -7.621 -17.558
314 HD2 HIS 39 HD2 HIS 39 54.051 -11.061 -15.221
315 HE1 HIS 39 HE1 HIS 39 56.110 -8.528 -17.898
316 H GLY 40 H GLY 40 49.443 -11.065 -16.516
317 HA2 GLY 40 1HA GLY 40 51.105 -13.212 -17.189
318 HA3 GLY 40 2HA GLY 40 49.350 -13.289 -17.101
319 H GLN 41 H GLN 41 51.555 -14.291 -19.024
320 HA GLN 41 HA GLN 41 51.151 -13.213 -21.573
321 HB2 GLN 41 1HB GLN 41 51.741 -16.058 -20.740
322 HB3 GLN 41 2HB GLN 41 51.855 -15.456 -22.395
323 HG2 GLN 41 1HG GLN 41 53.535 -13.815 -21.720
324 HG3 GLN 41 2HG GLN 41 53.384 -14.318 -20.038
325 HE21 GLN 41 1HE2 GLN 41 55.887 -14.453 -21.434
326 HE22 GLN 41 2HE2 GLN 41 56.308 -16.088 -21.608
327 H LYS 42 H LYS 42 49.026 -15.207 -19.657
328 HA LYS 42 HA LYS 42 47.646 -16.580 -21.630
329 HB2 LYS 42 1HB LYS 42 45.788 -16.714 -19.989
330 HB3 LYS 42 2HB LYS 42 47.356 -17.084 -19.271
331 HG2 LYS 42 1HG LYS 42 47.512 -14.758 -18.435
332 HG3 LYS 42 2HG LYS 42 45.925 -14.413 -19.123
333 HD2 LYS 42 1HD LYS 42 45.007 -16.305 -17.718
334 HD3 LYS 42 2HD LYS 42 46.576 -16.378 -16.913
335 HE2 LYS 42 1HE LYS 42 46.345 -14.195 -16.017
336 HE3 LYS 42 2HE LYS 42 45.020 -13.798 -17.112
337 HZ1 LYS 42 1HZ LYS 42 44.550 -14.485 -14.658
338 HZ2 LYS 42 2HZ LYS 42 44.705 -16.061 -15.273
339 HZ3 LYS 42 3HZ LYS 42 43.529 -15.011 -15.906
340 HA PRO 43 HA PRO 43 45.344 -13.427 -23.819
341 HB2 PRO 43 1HB PRO 43 43.005 -15.265 -23.792
342 HB3 PRO 43 2HB PRO 43 43.828 -14.502 -25.166
343 HG2 PRO 43 1HG PRO 43 44.114 -17.091 -24.642
344 HG3 PRO 43 2HG PRO 43 45.457 -16.112 -25.262
345 HD2 PRO 43 1HD PRO 43 44.987 -17.103 -22.476
346 HD3 PRO 43 2HD PRO 43 46.515 -16.913 -23.366
347 H GLY 44 H GLY 44 43.869 -11.790 -23.350
348 HA2 GLY 44 1HA GLY 44 43.165 -11.295 -20.698
349 HA3 GLY 44 2HA GLY 44 42.444 -10.491 -22.090
350 H THR 45 H THR 45 41.241 -11.455 -19.537
351 HA THR 45 HA THR 45 39.774 -13.811 -19.842
352 HB THR 45 HB THR 45 38.880 -11.312 -18.388
353 HG1 THR 45 HG1 THR 45 40.699 -11.715 -17.388
354 HG21 THR 45 1HG2 THR 45 37.658 -12.898 -16.977
355 HG22 THR 45 2HG2 THR 45 38.276 -14.247 -17.930
356 HG23 THR 45 3HG2 THR 45 37.166 -13.087 -18.659
357 H HIS 46 H HIS 46 37.754 -14.292 -20.639
358 HA HIS 46 HA HIS 46 36.760 -12.475 -22.704
359 HB2 HIS 46 1HB HIS 46 37.131 -14.831 -23.272
360 HB3 HIS 46 2HB HIS 46 36.008 -15.318 -22.017
361 HD1 HIS 46 HD1 HIS 46 33.505 -15.173 -22.544
362 HD2 HIS 46 HD2 HIS 46 35.907 -13.667 -25.600
363 HE1 HIS 46 HE1 HIS 46 31.988 -14.826 -24.539
Start of MODEL 13
1 H ARG 1 3H ARG 1 26.390 -2.560 32.210
2 HA ARG 1 HA ARG 1 26.572 -1.667 30.183
3 HB2 ARG 1 1HB ARG 1 23.665 -2.538 30.158
4 HB3 ARG 1 2HB ARG 1 24.649 -2.254 28.720
5 HG2 ARG 1 1HG ARG 1 26.252 -3.988 29.513
6 HG3 ARG 1 2HG ARG 1 25.184 -4.317 30.877
7 HD2 ARG 1 1HD ARG 1 23.347 -4.800 29.217
8 HD3 ARG 1 2HD ARG 1 24.550 -4.674 27.937
9 HE ARG 1 HE ARG 1 25.237 -6.797 28.492
10 HH11 ARG 1 1HH1 ARG 1 23.652 -5.438 31.315
11 HH12 ARG 1 2HH1 ARG 1 23.805 -6.902 32.228
12 HH21 ARG 1 1HH2 ARG 1 25.404 -8.653 29.717
13 HH22 ARG 1 2HH2 ARG 1 24.785 -8.699 31.333
14 H SER 2 H SER 2 26.838 0.532 30.995
15 HA SER 2 HA SER 2 24.788 2.400 31.323
16 HB2 SER 2 1HB SER 2 27.162 2.761 31.954
17 HB3 SER 2 2HB SER 2 27.565 2.917 30.248
18 HG SER 2 HG SER 2 25.951 4.632 30.211
19 H LEU 3 H LEU 3 26.105 1.078 28.368
20 HA LEU 3 HA LEU 3 25.507 3.135 26.568
21 HB2 LEU 3 1HB LEU 3 25.632 0.144 26.251
22 HB3 LEU 3 2HB LEU 3 25.290 1.217 24.893
23 HG LEU 3 HG LEU 3 27.418 2.506 25.739
24 HD11 LEU 3 1HD1 LEU 3 27.591 -0.178 27.087
25 HD12 LEU 3 2HD1 LEU 3 27.986 1.416 27.733
26 HD13 LEU 3 3HD1 LEU 3 29.062 0.645 26.568
27 HD21 LEU 3 1HD2 LEU 3 27.006 1.017 23.622
28 HD22 LEU 3 2HD2 LEU 3 27.976 -0.174 24.488
29 HD23 LEU 3 3HD2 LEU 3 28.663 1.401 24.087
30 H LEU 4 H LEU 4 23.338 0.933 28.184
31 HA LEU 4 HA LEU 4 21.187 0.894 26.387
32 HB2 LEU 4 1HB LEU 4 21.402 -0.523 28.421
33 HB3 LEU 4 2HB LEU 4 21.042 0.894 29.407
34 HG LEU 4 HG LEU 4 18.888 1.143 28.109
35 HD11 LEU 4 1HD1 LEU 4 18.197 -1.131 27.038
36 HD12 LEU 4 2HD1 LEU 4 19.931 -1.436 26.951
37 HD13 LEU 4 3HD1 LEU 4 19.236 -0.050 26.110
38 HD21 LEU 4 1HD2 LEU 4 18.860 0.126 30.318
39 HD22 LEU 4 2HD2 LEU 4 19.382 -1.422 29.652
40 HD23 LEU 4 3HD2 LEU 4 17.781 -0.792 29.268
41 H GLU 5 H GLU 5 22.300 3.435 28.485
42 HA GLU 5 HA GLU 5 19.846 4.860 28.721
43 HB2 GLU 5 1HB GLU 5 22.706 5.767 29.067
44 HB3 GLU 5 2HB GLU 5 21.289 6.717 29.517
45 HG2 GLU 5 1HG GLU 5 20.557 4.867 31.010
46 HG3 GLU 5 2HG GLU 5 22.026 3.988 30.609
47 H GLY 6 H GLY 6 22.140 4.675 26.127
48 HA2 GLY 6 1HA GLY 6 22.189 5.738 24.077
49 HA3 GLY 6 2HA GLY 6 20.643 6.469 24.483
50 H GLU 7 H GLU 7 23.435 6.867 26.557
51 HA GLU 7 HA GLU 7 23.199 9.626 26.766
52 HB2 GLU 7 1HB GLU 7 25.522 9.559 27.697
53 HB3 GLU 7 2HB GLU 7 24.423 8.393 28.421
54 HG2 GLU 7 1HG GLU 7 25.322 6.630 26.925
55 HG3 GLU 7 2HG GLU 7 26.456 7.784 26.248
56 H ILE 8 H ILE 8 24.269 11.367 25.906
57 HA ILE 8 HA ILE 8 24.559 11.325 23.147
58 HB ILE 8 HB ILE 8 25.258 13.641 23.294
59 HG12 ILE 8 1HG1 ILE 8 25.313 13.223 26.296
60 HG13 ILE 8 2HG1 ILE 8 26.758 13.353 25.291
61 HG21 ILE 8 1HG2 ILE 8 23.137 12.984 25.356
62 HG22 ILE 8 2HG2 ILE 8 22.872 12.937 23.613
63 HG23 ILE 8 3HG2 ILE 8 23.269 14.463 24.404
64 HD11 ILE 8 1HD1 ILE 8 24.646 15.458 25.786
65 HD12 ILE 8 2HD1 ILE 8 25.800 15.576 24.456
66 HD13 ILE 8 3HD1 ILE 8 26.374 15.551 26.124
67 HA PRO 9 HA PRO 9 29.422 11.451 23.668
68 HB2 PRO 9 1HB PRO 9 29.599 8.969 25.307
69 HB3 PRO 9 2HB PRO 9 30.666 10.389 25.277
70 HG2 PRO 9 1HG PRO 9 28.980 10.023 27.272
71 HG3 PRO 9 2HG PRO 9 29.256 11.645 26.602
72 HD2 PRO 9 1HD PRO 9 26.934 9.809 26.175
73 HD3 PRO 9 2HD PRO 9 26.946 11.568 26.377
74 H PHE 10 H PHE 10 27.101 8.932 23.230
75 HA PHE 10 HA PHE 10 28.636 6.822 22.307
76 HB2 PHE 10 1HB PHE 10 26.232 6.848 22.975
77 HB3 PHE 10 2HB PHE 10 25.864 7.458 21.374
78 HD1 PHE 10 HD1 PHE 10 27.600 4.636 23.117
79 HD2 PHE 10 HD2 PHE 10 25.486 5.955 19.618
80 HE1 PHE 10 HE1 PHE 10 27.575 2.310 22.255
81 HE2 PHE 10 HE2 PHE 10 25.462 3.630 18.755
82 HZ PHE 10 HZ PHE 10 26.507 1.808 20.074
83 HA PRO 11 HA PRO 11 27.532 8.319 17.748
84 HB2 PRO 11 1HB PRO 11 29.058 10.873 17.825
85 HB3 PRO 11 2HB PRO 11 27.591 10.446 16.919
86 HG2 PRO 11 1HG PRO 11 27.439 11.952 19.078
87 HG3 PRO 11 2HG PRO 11 26.221 10.702 18.756
88 HD2 PRO 11 1HD PRO 11 28.490 10.653 20.708
89 HD3 PRO 11 2HD PRO 11 26.846 9.999 20.873
90 HA PRO 12 HA PRO 12 32.347 8.619 16.848
91 HB2 PRO 12 1HB PRO 12 33.251 7.168 19.296
92 HB3 PRO 12 2HB PRO 12 34.073 8.439 18.366
93 HG2 PRO 12 1HG PRO 12 32.961 9.001 20.687
94 HG3 PRO 12 2HG PRO 12 32.828 10.132 19.326
95 HD2 PRO 12 1HD PRO 12 30.775 8.229 20.392
96 HD3 PRO 12 2HD PRO 12 30.556 9.893 19.801
97 H THR 13 H THR 13 30.629 6.044 18.585
98 HA THR 13 HA THR 13 31.859 3.825 17.371
99 HB THR 13 HB THR 13 28.928 4.103 18.079
100 HG1 THR 13 HG1 THR 13 29.845 3.030 20.044
101 HG21 THR 13 1HG2 THR 13 30.791 1.734 17.774
102 HG22 THR 13 2HG2 THR 13 29.374 2.103 16.791
103 HG23 THR 13 3HG2 THR 13 29.179 1.635 18.480
104 H SER 14 H SER 14 29.224 5.931 16.212
105 HA SER 14 HA SER 14 28.725 4.601 13.786
106 HB2 SER 14 1HB SER 14 27.369 6.496 14.709
107 HB3 SER 14 2HB SER 14 28.671 7.590 14.254
108 HG SER 14 HG SER 14 27.197 7.522 12.580
109 H ILE 15 H ILE 15 31.174 7.030 14.656
110 HA ILE 15 HA ILE 15 32.263 7.360 12.077
111 HB ILE 15 HB ILE 15 33.776 7.463 14.699
112 HG12 ILE 15 1HG1 ILE 15 32.400 9.690 13.167
113 HG13 ILE 15 2HG1 ILE 15 31.719 8.915 14.597
114 HG21 ILE 15 1HG2 ILE 15 35.328 8.881 13.500
115 HG22 ILE 15 2HG2 ILE 15 34.311 8.851 12.060
116 HG23 ILE 15 3HG2 ILE 15 35.139 7.384 12.585
117 HD11 ILE 15 1HD1 ILE 15 34.158 10.664 14.385
118 HD12 ILE 15 2HD1 ILE 15 34.006 9.509 15.709
119 HD13 ILE 15 3HD1 ILE 15 32.804 10.784 15.508
120 H LEU 16 H LEU 16 32.786 4.824 14.497
121 HA LEU 16 HA LEU 16 34.953 3.538 13.231
122 HB2 LEU 16 1HB LEU 16 32.703 2.206 14.754
123 HB3 LEU 16 2HB LEU 16 34.297 1.532 14.433
124 HG LEU 16 HG LEU 16 33.790 4.062 16.023
125 HD11 LEU 16 1HD1 LEU 16 34.705 1.351 17.017
126 HD12 LEU 16 2HD1 LEU 16 33.026 1.886 17.088
127 HD13 LEU 16 3HD1 LEU 16 34.269 2.757 17.988
128 HD21 LEU 16 1HD2 LEU 16 36.257 2.502 15.251
129 HD22 LEU 16 2HD2 LEU 16 36.239 3.520 16.691
130 HD23 LEU 16 3HD2 LEU 16 35.963 4.235 15.104
131 H LEU 17 H LEU 17 31.455 3.343 12.628
132 HA LEU 17 HA LEU 17 31.539 1.302 10.688
133 HB2 LEU 17 1HB LEU 17 29.721 3.723 10.669
134 HB3 LEU 17 2HB LEU 17 29.449 2.200 9.827
135 HG LEU 17 HG LEU 17 29.712 2.468 12.836
136 HD11 LEU 17 1HD1 LEU 17 27.305 2.237 11.012
137 HD12 LEU 17 2HD1 LEU 17 27.648 3.510 12.183
138 HD13 LEU 17 3HD1 LEU 17 27.237 1.886 12.739
139 HD21 LEU 17 1HD2 LEU 17 28.612 0.119 12.601
140 HD22 LEU 17 2HD2 LEU 17 30.339 0.262 12.269
141 HD23 LEU 17 3HD2 LEU 17 29.188 0.183 10.935
142 H LEU 18 H LEU 18 32.193 4.778 10.401
143 HA LEU 18 HA LEU 18 32.553 4.838 7.601
144 HB2 LEU 18 1HB LEU 18 34.101 6.480 9.617
145 HB3 LEU 18 2HB LEU 18 33.859 6.847 7.916
146 HG LEU 18 HG LEU 18 31.624 6.609 9.950
147 HD11 LEU 18 1HD1 LEU 18 32.878 8.594 10.454
148 HD12 LEU 18 2HD1 LEU 18 31.472 9.113 9.526
149 HD13 LEU 18 3HD1 LEU 18 33.049 8.994 8.745
150 HD21 LEU 18 1HD2 LEU 18 30.676 6.119 7.851
151 HD22 LEU 18 2HD2 LEU 18 31.762 7.218 7.000
152 HD23 LEU 18 3HD2 LEU 18 30.446 7.862 7.982
153 H LEU 19 H LEU 19 34.756 3.857 10.196
154 HA LEU 19 HA LEU 19 37.064 3.482 8.626
155 HB2 LEU 19 1HB LEU 19 36.934 3.278 11.140
156 HB3 LEU 19 2HB LEU 19 36.228 1.679 10.901
157 HG LEU 19 HG LEU 19 38.262 1.171 9.425
158 HD11 LEU 19 1HD1 LEU 19 40.269 2.609 10.315
159 HD12 LEU 19 2HD1 LEU 19 39.020 3.805 10.662
160 HD13 LEU 19 3HD1 LEU 19 39.267 3.242 9.010
161 HD21 LEU 19 1HD2 LEU 19 38.870 1.727 12.339
162 HD22 LEU 19 2HD2 LEU 19 39.543 0.451 11.323
163 HD23 LEU 19 3HD2 LEU 19 37.850 0.387 11.814
164 H ALA 20 H ALA 20 34.214 1.440 9.055
165 HA ALA 20 HA ALA 20 35.124 -0.828 7.652
166 HB1 ALA 20 1HB ALA 20 32.939 -0.533 8.959
167 HB2 ALA 20 2HB ALA 20 32.852 -1.463 7.463
168 HB3 ALA 20 3HB ALA 20 32.297 0.210 7.495
169 H CYS 21 H CYS 21 33.651 2.186 6.495
170 HA CYS 21 HA CYS 21 33.507 1.500 3.764
171 HB2 CYS 21 1HB CYS 21 34.077 4.227 4.950
172 HB3 CYS 21 2HB CYS 21 33.489 3.904 3.320
173 HG CYS 21 HG CYS 21 31.646 4.308 5.491
174 H ILE 22 H ILE 22 36.173 2.835 5.692
175 HA ILE 22 HA ILE 22 38.000 3.183 3.572
176 HB ILE 22 HB ILE 22 38.590 2.465 6.457
177 HG12 ILE 22 1HG1 ILE 22 38.475 5.159 5.064
178 HG13 ILE 22 2HG1 ILE 22 37.190 4.518 6.080
179 HG21 ILE 22 1HG2 ILE 22 40.328 3.815 4.363
180 HG22 ILE 22 2HG2 ILE 22 40.504 2.135 4.872
181 HG23 ILE 22 3HG2 ILE 22 40.790 3.440 6.024
182 HD11 ILE 22 1HD1 ILE 22 38.282 5.065 7.986
183 HD12 ILE 22 2HD1 ILE 22 39.290 6.080 6.960
184 HD13 ILE 22 3HD1 ILE 22 39.830 4.463 7.397
185 H PHE 23 H PHE 23 37.138 0.287 5.448
186 HA PHE 23 HA PHE 23 39.111 -1.426 4.428
187 HB2 PHE 23 1HB PHE 23 37.445 -1.998 6.215
188 HB3 PHE 23 2HB PHE 23 36.243 -2.195 4.956
189 HD1 PHE 23 HD1 PHE 23 39.385 -3.540 6.371
190 HD2 PHE 23 HD2 PHE 23 36.193 -4.152 3.562
191 HE1 PHE 23 HE1 PHE 23 40.114 -5.890 6.054
192 HE2 PHE 23 HE2 PHE 23 36.922 -6.501 3.245
193 HZ PHE 23 HZ PHE 23 38.882 -7.370 4.491
194 H LEU 24 H LEU 24 36.012 -0.422 2.984
195 HA LEU 24 HA LEU 24 36.145 -2.001 0.674
196 HB2 LEU 24 1HB LEU 24 34.211 -0.556 1.332
197 HB3 LEU 24 2HB LEU 24 35.136 0.846 0.796
198 HG LEU 24 HG LEU 24 35.383 -0.314 -1.450
199 HD11 LEU 24 1HD1 LEU 24 34.894 -2.579 -0.972
200 HD12 LEU 24 2HD1 LEU 24 33.462 -2.004 -1.826
201 HD13 LEU 24 3HD1 LEU 24 33.437 -2.162 -0.069
202 HD21 LEU 24 1HD2 LEU 24 33.801 1.502 -1.206
203 HD22 LEU 24 2HD2 LEU 24 32.638 0.443 -0.407
204 HD23 LEU 24 3HD2 LEU 24 33.006 0.218 -2.118
205 H ILE 25 H ILE 25 37.707 1.135 1.358
206 HA ILE 25 HA ILE 25 38.960 1.431 -1.142
207 HB ILE 25 HB ILE 25 40.152 2.210 1.530
208 HG12 ILE 25 1HG1 ILE 25 38.409 3.827 -0.354
209 HG13 ILE 25 2HG1 ILE 25 37.810 3.062 1.118
210 HG21 ILE 25 1HG2 ILE 25 41.705 2.273 -0.407
211 HG22 ILE 25 2HG2 ILE 25 41.345 3.886 0.208
212 HG23 ILE 25 3HG2 ILE 25 40.563 3.308 -1.264
213 HD11 ILE 25 1HD1 ILE 25 38.315 5.247 1.824
214 HD12 ILE 25 2HD1 ILE 25 39.780 5.323 0.846
215 HD13 ILE 25 3HD1 ILE 25 39.743 4.331 2.303
216 H ALA 26 H ALA 26 39.814 -0.632 1.592
217 HA ALA 26 HA ALA 26 42.381 -1.378 0.753
218 HB1 ALA 26 1HB ALA 26 41.143 -1.928 2.950
219 HB2 ALA 26 2HB ALA 26 42.230 -3.149 2.289
220 HB3 ALA 26 3HB ALA 26 40.487 -3.309 2.072
221 H ILE 27 H ILE 27 39.244 -2.982 0.047
222 HA ILE 27 HA ILE 27 40.383 -4.959 -1.611
223 HB ILE 27 HB ILE 27 38.106 -5.154 -0.725
224 HG12 ILE 27 1HG1 ILE 27 38.052 -5.197 -3.744
225 HG13 ILE 27 2HG1 ILE 27 38.978 -6.361 -2.795
226 HG21 ILE 27 1HG2 ILE 27 37.610 -2.812 -2.537
227 HG22 ILE 27 2HG2 ILE 27 37.037 -3.103 -0.897
228 HG23 ILE 27 3HG2 ILE 27 36.325 -3.979 -2.247
229 HD11 ILE 27 1HD1 ILE 27 36.024 -5.863 -2.363
230 HD12 ILE 27 2HD1 ILE 27 36.999 -7.179 -1.709
231 HD13 ILE 27 3HD1 ILE 27 36.641 -7.119 -3.435
232 H LEU 28 H LEU 28 39.447 -1.627 -2.323
233 HA LEU 28 HA LEU 28 39.770 -1.741 -5.121
234 HB2 LEU 28 1HB LEU 28 38.908 0.239 -3.854
235 HB3 LEU 28 2HB LEU 28 40.562 0.571 -3.340
236 HG LEU 28 HG LEU 28 41.203 0.575 -5.801
237 HD11 LEU 28 1HD1 LEU 28 38.197 0.423 -5.990
238 HD12 LEU 28 2HD1 LEU 28 39.402 -0.518 -6.867
239 HD13 LEU 28 3HD1 LEU 28 39.150 1.182 -7.265
240 HD21 LEU 28 1HD2 LEU 28 41.030 2.673 -4.631
241 HD22 LEU 28 2HD2 LEU 28 39.268 2.621 -4.680
242 HD23 LEU 28 3HD2 LEU 28 40.185 2.872 -6.166
243 H ALA 29 H ALA 29 42.164 -1.468 -2.525
244 HA ALA 29 HA ALA 29 44.455 -1.135 -4.121
245 HB1 ALA 29 1HB ALA 29 44.167 -1.176 -1.517
246 HB2 ALA 29 2HB ALA 29 45.690 -1.703 -2.234
247 HB3 ALA 29 3HB ALA 29 44.509 -2.898 -1.695
248 H ALA 30 H ALA 30 42.670 -4.054 -3.208
249 HA ALA 30 HA ALA 30 44.381 -5.955 -4.385
250 HB1 ALA 30 1HB ALA 30 41.403 -6.272 -4.534
251 HB2 ALA 30 2HB ALA 30 42.198 -6.252 -2.960
252 HB3 ALA 30 3HB ALA 30 42.636 -7.474 -4.154
253 H SER 31 H SER 31 41.779 -3.991 -5.802
254 HA SER 31 HA SER 31 41.850 -5.046 -8.398
255 HB2 SER 31 1HB SER 31 40.199 -3.353 -7.514
256 HB3 SER 31 2HB SER 31 41.446 -2.129 -7.722
257 HG SER 31 HG SER 31 39.982 -2.412 -9.538
258 H ALA 32 H ALA 32 43.932 -2.604 -6.869
259 HA ALA 32 HA ALA 32 45.408 -1.875 -9.149
260 HB1 ALA 32 1HB ALA 32 45.491 -0.888 -6.765
261 HB2 ALA 32 2HB ALA 32 47.003 -0.973 -7.670
262 HB3 ALA 32 3HB ALA 32 46.653 -2.169 -6.422
263 H LEU 33 H LEU 33 45.804 -4.590 -6.892
264 HA LEU 33 HA LEU 33 48.167 -5.659 -7.995
265 HB2 LEU 33 1HB LEU 33 47.106 -6.435 -5.874
266 HB3 LEU 33 2HB LEU 33 45.851 -7.222 -6.832
267 HG LEU 33 HG LEU 33 47.704 -8.469 -8.038
268 HD11 LEU 33 1HD1 LEU 33 49.657 -7.236 -7.606
269 HD12 LEU 33 2HD1 LEU 33 49.815 -8.608 -6.510
270 HD13 LEU 33 3HD1 LEU 33 49.271 -7.047 -5.896
271 HD21 LEU 33 1HD2 LEU 33 47.390 -8.854 -5.044
272 HD22 LEU 33 2HD2 LEU 33 48.049 -10.061 -6.148
273 HD23 LEU 33 3HD2 LEU 33 46.367 -9.553 -6.298
274 H TRP 34 H TRP 34 44.771 -6.026 -8.977
275 HA TRP 34 HA TRP 34 45.168 -7.890 -11.050
276 HB2 TRP 34 1HB TRP 34 42.961 -6.959 -10.168
277 HB3 TRP 34 2HB TRP 34 43.241 -5.586 -11.223
278 HD1 TRP 34 HD1 TRP 34 42.396 -9.295 -11.265
279 HE1 TRP 34 HE1 TRP 34 41.527 -9.925 -13.607
280 HE3 TRP 34 HE3 TRP 34 43.350 -4.942 -13.759
281 HZ2 TRP 34 HZ2 TRP 34 41.271 -8.739 -16.202
282 HZ3 TRP 34 HZ3 TRP 34 42.786 -4.719 -16.159
283 HH2 TRP 34 HH2 TRP 34 41.749 -6.608 -17.383
284 H ALA 35 H ALA 35 45.738 -4.412 -10.951
285 HA ALA 35 HA ALA 35 46.250 -3.985 -13.684
286 HB1 ALA 35 1HB ALA 35 47.932 -2.624 -11.618
287 HB2 ALA 35 2HB ALA 35 46.193 -2.327 -11.633
288 HB3 ALA 35 3HB ALA 35 47.163 -1.954 -13.057
289 H ALA 36 H ALA 36 48.377 -5.117 -11.082
290 HA ALA 36 HA ALA 36 50.702 -5.507 -12.627
291 HB1 ALA 36 1HB ALA 36 50.329 -5.762 -10.068
292 HB2 ALA 36 2HB ALA 36 51.503 -6.811 -10.863
293 HB3 ALA 36 3HB ALA 36 49.899 -7.426 -10.461
294 H ALA 37 H ALA 37 47.864 -7.572 -12.172
295 HA ALA 37 HA ALA 37 48.716 -9.832 -13.573
296 HB1 ALA 37 1HB ALA 37 46.497 -9.297 -12.256
297 HB2 ALA 37 2HB ALA 37 46.515 -10.514 -13.533
298 HB3 ALA 37 3HB ALA 37 45.895 -8.896 -13.865
299 H TRP 38 H TRP 38 47.539 -6.754 -14.803
300 HA TRP 38 HA TRP 38 46.997 -7.408 -17.437
301 HB2 TRP 38 1HB TRP 38 46.664 -5.186 -16.370
302 HB3 TRP 38 2HB TRP 38 48.391 -4.906 -16.491
303 HD1 TRP 38 HD1 TRP 38 49.380 -4.307 -18.850
304 HE1 TRP 38 HE1 TRP 38 48.287 -3.589 -21.070
305 HE3 TRP 38 HE3 TRP 38 44.524 -5.549 -17.880
306 HZ2 TRP 38 HZ2 TRP 38 45.688 -3.544 -22.278
307 HZ3 TRP 38 HZ3 TRP 38 42.764 -5.157 -19.576
308 HH2 TRP 38 HH2 TRP 38 43.336 -4.159 -21.771
309 H HIS 39 H HIS 39 50.143 -7.219 -15.890
310 HA HIS 39 HA HIS 39 51.792 -6.891 -18.127
311 HB2 HIS 39 1HB HIS 39 52.587 -6.888 -15.790
312 HB3 HIS 39 2HB HIS 39 52.277 -8.611 -15.691
313 HD1 HIS 39 HD1 HIS 39 54.295 -6.278 -17.950
314 HD2 HIS 39 HD2 HIS 39 54.562 -10.052 -16.199
315 HE1 HIS 39 HE1 HIS 39 56.565 -7.200 -18.583
316 H GLY 40 H GLY 40 52.703 -8.314 -19.604
317 HA2 GLY 40 1HA GLY 40 51.144 -10.438 -20.544
318 HA3 GLY 40 2HA GLY 40 52.832 -10.165 -20.970
319 H GLN 41 H GLN 41 51.240 -12.656 -20.305
320 HA GLN 41 HA GLN 41 52.019 -13.732 -17.842
321 HB2 GLN 41 1HB GLN 41 50.409 -14.660 -19.673
322 HB3 GLN 41 2HB GLN 41 51.860 -15.432 -20.312
323 HG2 GLN 41 1HG GLN 41 50.927 -17.030 -18.823
324 HG3 GLN 41 2HG GLN 41 52.258 -16.298 -17.930
325 HE21 GLN 41 1HE2 GLN 41 51.705 -15.653 -15.851
326 HE22 GLN 41 2HE2 GLN 41 50.139 -15.233 -15.345
327 H LYS 42 H LYS 42 53.772 -15.035 -17.216
328 HA LYS 42 HA LYS 42 56.251 -14.023 -17.954
329 HB2 LYS 42 1HB LYS 42 55.504 -16.544 -16.494
330 HB3 LYS 42 2HB LYS 42 57.166 -15.976 -16.657
331 HG2 LYS 42 1HG LYS 42 56.182 -13.703 -15.783
332 HG3 LYS 42 2HG LYS 42 54.878 -14.721 -15.169
333 HD2 LYS 42 1HD LYS 42 56.806 -16.194 -14.210
334 HD3 LYS 42 2HD LYS 42 57.797 -14.752 -14.436
335 HE2 LYS 42 1HE LYS 42 55.159 -14.682 -12.961
336 HE3 LYS 42 2HE LYS 42 56.691 -14.996 -12.144
337 HZ1 LYS 42 1HZ LYS 42 55.776 -12.577 -12.396
338 HZ2 LYS 42 2HZ LYS 42 56.501 -12.680 -13.929
339 HZ3 LYS 42 3HZ LYS 42 57.437 -12.892 -12.528
340 HA PRO 43 HA PRO 43 57.016 -18.007 -20.724
341 HB2 PRO 43 1HB PRO 43 54.415 -17.821 -22.181
342 HB3 PRO 43 2HB PRO 43 55.416 -19.246 -21.834
343 HG2 PRO 43 1HG PRO 43 53.199 -18.795 -20.470
344 HG3 PRO 43 2HG PRO 43 54.652 -19.427 -19.668
345 HD2 PRO 43 1HD PRO 43 53.523 -16.657 -19.598
346 HD3 PRO 43 2HD PRO 43 54.340 -17.572 -18.311
347 H GLY 44 H GLY 44 58.086 -17.542 -22.618
348 HA2 GLY 44 1HA GLY 44 58.316 -14.909 -23.520
349 HA3 GLY 44 2HA GLY 44 58.863 -16.326 -24.406
350 H THR 45 H THR 45 56.025 -17.384 -24.473
351 HA THR 45 HA THR 45 55.330 -16.504 -27.030
352 HB THR 45 HB THR 45 53.457 -17.669 -24.961
353 HG1 THR 45 HG1 THR 45 54.600 -19.396 -25.166
354 HG21 THR 45 1HG2 THR 45 53.449 -17.496 -27.978
355 HG22 THR 45 2HG2 THR 45 52.208 -16.941 -26.855
356 HG23 THR 45 3HG2 THR 45 52.467 -18.668 -27.099
357 H HIS 46 H HIS 46 54.545 -15.090 -23.920
358 HA HIS 46 HA HIS 46 52.969 -13.015 -25.327
359 HB2 HIS 46 1HB HIS 46 51.705 -14.748 -23.810
360 HB3 HIS 46 2HB HIS 46 52.356 -13.779 -22.501
361 HD1 HIS 46 HD1 HIS 46 49.806 -13.774 -25.213
362 HD2 HIS 46 HD2 HIS 46 51.279 -11.107 -22.368
363 HE1 HIS 46 HE1 HIS 46 48.181 -11.836 -25.141
Start of MODEL 14
1 H ARG 1 3H ARG 1 9.171 20.572 20.953
2 HA ARG 1 HA ARG 1 9.133 19.136 19.160
3 HB2 ARG 1 1HB ARG 1 10.605 19.374 17.224
4 HB3 ARG 1 2HB ARG 1 9.726 20.876 17.498
5 HG2 ARG 1 1HG ARG 1 11.734 21.732 18.760
6 HG3 ARG 1 2HG ARG 1 12.602 20.286 18.245
7 HD2 ARG 1 1HD ARG 1 12.106 20.891 15.871
8 HD3 ARG 1 2HD ARG 1 11.376 22.389 16.441
9 HE ARG 1 HE ARG 1 14.105 21.917 17.331
10 HH11 ARG 1 1HH1 ARG 1 12.068 23.442 14.913
11 HH12 ARG 1 2HH1 ARG 1 13.302 24.561 14.436
12 HH21 ARG 1 1HH2 ARG 1 15.653 23.382 16.674
13 HH22 ARG 1 2HH2 ARG 1 15.305 24.525 15.421
14 H SER 2 H SER 2 10.200 17.175 19.196
15 HA SER 2 HA SER 2 11.902 16.629 21.345
16 HB2 SER 2 1HB SER 2 12.140 14.417 20.390
17 HB3 SER 2 2HB SER 2 10.481 14.963 20.171
18 HG SER 2 HG SER 2 12.218 14.197 18.328
19 H LEU 3 H LEU 3 12.699 17.713 18.118
20 HA LEU 3 HA LEU 3 15.307 16.743 17.861
21 HB2 LEU 3 1HB LEU 3 13.958 19.220 16.814
22 HB3 LEU 3 2HB LEU 3 15.635 18.835 16.423
23 HG LEU 3 HG LEU 3 14.657 16.478 15.801
24 HD11 LEU 3 1HD1 LEU 3 12.247 18.278 15.900
25 HD12 LEU 3 2HD1 LEU 3 12.411 16.614 16.462
26 HD13 LEU 3 3HD1 LEU 3 12.319 16.956 14.735
27 HD21 LEU 3 1HD2 LEU 3 14.205 17.331 13.486
28 HD22 LEU 3 2HD2 LEU 3 15.699 17.965 14.176
29 HD23 LEU 3 3HD2 LEU 3 14.254 18.974 14.124
30 H LEU 4 H LEU 4 14.131 19.210 19.994
31 HA LEU 4 HA LEU 4 16.333 20.943 20.093
32 HB2 LEU 4 1HB LEU 4 14.362 20.230 22.274
33 HB3 LEU 4 2HB LEU 4 15.447 21.621 22.294
34 HG LEU 4 HG LEU 4 13.404 21.108 20.113
35 HD11 LEU 4 1HD1 LEU 4 12.164 22.995 21.212
36 HD12 LEU 4 2HD1 LEU 4 13.290 22.889 22.565
37 HD13 LEU 4 3HD1 LEU 4 12.225 21.533 22.195
38 HD21 LEU 4 1HD2 LEU 4 15.035 22.529 19.208
39 HD22 LEU 4 2HD2 LEU 4 15.365 23.298 20.761
40 HD23 LEU 4 3HD2 LEU 4 13.882 23.678 19.887
41 H GLU 5 H GLU 5 15.966 17.745 21.411
42 HA GLU 5 HA GLU 5 17.789 18.073 23.582
43 HB2 GLU 5 1HB GLU 5 17.650 15.677 23.852
44 HB3 GLU 5 2HB GLU 5 16.046 16.323 23.521
45 HG2 GLU 5 1HG GLU 5 16.390 15.727 21.099
46 HG3 GLU 5 2HG GLU 5 17.884 14.939 21.563
47 H GLY 6 H GLY 6 18.310 17.361 20.181
48 HA2 GLY 6 1HA GLY 6 20.382 18.064 19.236
49 HA3 GLY 6 2HA GLY 6 21.166 17.732 20.769
50 H GLU 7 H GLU 7 19.328 15.070 20.295
51 HA GLU 7 HA GLU 7 21.467 13.342 19.798
52 HB2 GLU 7 1HB GLU 7 18.493 12.914 19.573
53 HB3 GLU 7 2HB GLU 7 19.681 11.619 19.430
54 HG2 GLU 7 1HG GLU 7 20.574 12.217 21.667
55 HG3 GLU 7 2HG GLU 7 19.335 13.453 21.819
56 H ILE 8 H ILE 8 19.761 15.208 17.481
57 HA ILE 8 HA ILE 8 19.168 13.310 15.543
58 HB ILE 8 HB ILE 8 19.857 16.185 14.955
59 HG12 ILE 8 1HG1 ILE 8 17.097 16.085 15.155
60 HG13 ILE 8 2HG1 ILE 8 17.571 14.965 16.424
61 HG21 ILE 8 1HG2 ILE 8 19.604 14.902 12.946
62 HG22 ILE 8 2HG2 ILE 8 18.105 15.805 13.167
63 HG23 ILE 8 3HG2 ILE 8 18.168 14.090 13.571
64 HD11 ILE 8 1HD1 ILE 8 18.448 16.620 17.726
65 HD12 ILE 8 2HD1 ILE 8 17.368 17.639 16.777
66 HD13 ILE 8 3HD1 ILE 8 19.073 17.527 16.349
67 HA PRO 9 HA PRO 9 23.506 14.092 13.405
68 HB2 PRO 9 1HB PRO 9 25.148 13.732 15.873
69 HB3 PRO 9 2HB PRO 9 25.475 14.716 14.431
70 HG2 PRO 9 1HG PRO 9 24.724 15.875 16.670
71 HG3 PRO 9 2HG PRO 9 24.067 16.425 15.113
72 HD2 PRO 9 1HD PRO 9 22.772 14.674 17.179
73 HD3 PRO 9 2HD PRO 9 22.056 16.010 16.243
74 H PHE 10 H PHE 10 24.471 12.205 12.616
75 HA PHE 10 HA PHE 10 23.323 9.771 13.316
76 HB2 PHE 10 1HB PHE 10 25.242 8.751 12.007
77 HB3 PHE 10 2HB PHE 10 24.247 9.920 11.165
78 HD1 PHE 10 HD1 PHE 10 27.377 9.775 13.234
79 HD2 PHE 10 HD2 PHE 10 25.310 11.571 9.926
80 HE1 PHE 10 HE1 PHE 10 29.412 11.076 12.669
81 HE2 PHE 10 HE2 PHE 10 27.344 12.872 9.360
82 HZ PHE 10 HZ PHE 10 29.395 12.624 10.733
83 HA PRO 11 HA PRO 11 25.363 8.582 17.021
84 HB2 PRO 11 1HB PRO 11 25.667 5.804 16.007
85 HB3 PRO 11 2HB PRO 11 24.841 6.396 17.460
86 HG2 PRO 11 1HG PRO 11 23.506 5.537 15.314
87 HG3 PRO 11 2HG PRO 11 22.906 6.851 16.343
88 HD2 PRO 11 1HD PRO 11 24.149 7.009 13.631
89 HD3 PRO 11 2HD PRO 11 22.886 8.023 14.365
90 HA PRO 12 HA PRO 12 29.779 8.648 16.040
91 HB2 PRO 12 1HB PRO 12 30.210 7.285 18.648
92 HB3 PRO 12 2HB PRO 12 30.895 8.804 18.041
93 HG2 PRO 12 1HG PRO 12 29.016 8.774 19.925
94 HG3 PRO 12 2HG PRO 12 29.081 10.042 18.688
95 HD2 PRO 12 1HD PRO 12 27.222 7.706 18.883
96 HD3 PRO 12 2HD PRO 12 26.911 9.351 18.283
97 H THR 13 H THR 13 28.207 5.728 17.327
98 HA THR 13 HA THR 13 30.107 3.827 16.504
99 HB THR 13 HB THR 13 27.096 3.512 16.491
100 HG1 THR 13 HG1 THR 13 27.229 3.353 18.589
101 HG21 THR 13 1HG2 THR 13 29.302 1.475 16.900
102 HG22 THR 13 2HG2 THR 13 28.449 1.716 15.377
103 HG23 THR 13 3HG2 THR 13 27.571 1.154 16.799
104 H SER 14 H SER 14 27.527 5.467 14.677
105 HA SER 14 HA SER 14 27.808 4.041 12.269
106 HB2 SER 14 1HB SER 14 26.011 5.719 12.756
107 HB3 SER 14 2HB SER 14 27.210 6.993 12.558
108 HG SER 14 HG SER 14 26.335 6.746 10.573
109 H ILE 15 H ILE 15 29.605 6.834 13.555
110 HA ILE 15 HA ILE 15 31.228 7.276 11.291
111 HB ILE 15 HB ILE 15 32.022 7.622 14.196
112 HG12 ILE 15 1HG1 ILE 15 30.791 9.622 12.274
113 HG13 ILE 15 2HG1 ILE 15 29.882 8.772 13.524
114 HG21 ILE 15 1HG2 ILE 15 33.018 8.986 11.675
115 HG22 ILE 15 2HG2 ILE 15 33.889 7.723 12.545
116 HG23 ILE 15 3HG2 ILE 15 33.592 9.279 13.318
117 HD11 ILE 15 1HD1 ILE 15 30.482 10.867 14.493
118 HD12 ILE 15 2HD1 ILE 15 32.136 10.752 13.892
119 HD13 ILE 15 3HD1 ILE 15 31.595 9.689 15.191
120 H LEU 16 H LEU 16 31.531 4.929 13.940
121 HA LEU 16 HA LEU 16 34.074 3.925 13.237
122 HB2 LEU 16 1HB LEU 16 31.765 2.350 14.397
123 HB3 LEU 16 2HB LEU 16 33.466 1.901 14.438
124 HG LEU 16 HG LEU 16 32.337 4.423 15.683
125 HD11 LEU 16 1HD1 LEU 16 32.631 3.297 17.821
126 HD12 LEU 16 2HD1 LEU 16 33.289 1.871 17.018
127 HD13 LEU 16 3HD1 LEU 16 31.593 2.303 16.797
128 HD21 LEU 16 1HD2 LEU 16 34.619 4.345 16.834
129 HD22 LEU 16 2HD2 LEU 16 34.644 4.750 15.118
130 HD23 LEU 16 3HD2 LEU 16 35.072 3.123 15.645
131 H LEU 17 H LEU 17 30.846 3.174 11.963
132 HA LEU 17 HA LEU 17 31.619 1.081 10.247
133 HB2 LEU 17 1HB LEU 17 29.501 3.168 9.678
134 HB3 LEU 17 2HB LEU 17 29.641 1.581 8.931
135 HG LEU 17 HG LEU 17 29.246 2.037 11.901
136 HD11 LEU 17 1HD1 LEU 17 27.288 1.192 9.743
137 HD12 LEU 17 2HD1 LEU 17 27.257 2.716 10.631
138 HD13 LEU 17 3HD1 LEU 17 26.948 1.198 11.473
139 HD21 LEU 17 1HD2 LEU 17 30.307 -0.063 11.614
140 HD22 LEU 17 2HD2 LEU 17 29.428 -0.397 10.122
141 HD23 LEU 17 3HD2 LEU 17 28.590 -0.461 11.673
142 H LEU 18 H LEU 18 31.871 4.595 9.851
143 HA LEU 18 HA LEU 18 32.728 4.609 7.166
144 HB2 LEU 18 1HB LEU 18 32.175 6.647 8.541
145 HB3 LEU 18 2HB LEU 18 33.749 6.469 9.317
146 HG LEU 18 HG LEU 18 34.773 6.481 6.992
147 HD11 LEU 18 1HD1 LEU 18 32.986 6.018 5.535
148 HD12 LEU 18 2HD1 LEU 18 33.200 7.758 5.347
149 HD13 LEU 18 3HD1 LEU 18 31.900 7.135 6.363
150 HD21 LEU 18 1HD2 LEU 18 33.234 8.996 7.686
151 HD22 LEU 18 2HD2 LEU 18 34.803 8.882 6.888
152 HD23 LEU 18 3HD2 LEU 18 34.647 8.458 8.593
153 H LEU 19 H LEU 19 34.534 4.041 10.172
154 HA LEU 19 HA LEU 19 37.096 3.780 9.018
155 HB2 LEU 19 1HB LEU 19 36.577 3.749 11.489
156 HB3 LEU 19 2HB LEU 19 36.053 2.077 11.286
157 HG LEU 19 HG LEU 19 38.321 1.615 10.235
158 HD11 LEU 19 1HD1 LEU 19 38.744 4.420 11.277
159 HD12 LEU 19 2HD1 LEU 19 39.095 3.791 9.667
160 HD13 LEU 19 3HD1 LEU 19 40.087 3.302 11.041
161 HD21 LEU 19 1HD2 LEU 19 39.430 1.417 12.411
162 HD22 LEU 19 2HD2 LEU 19 37.722 1.012 12.579
163 HD23 LEU 19 3HD2 LEU 19 38.311 2.587 13.110
164 H ALA 20 H ALA 20 34.398 1.501 9.197
165 HA ALA 20 HA ALA 20 35.687 -0.742 8.084
166 HB1 ALA 20 1HB ALA 20 33.236 -0.392 9.022
167 HB2 ALA 20 2HB ALA 20 33.580 -1.649 7.835
168 HB3 ALA 20 3HB ALA 20 32.866 -0.122 7.319
169 H CYS 21 H CYS 21 34.179 2.077 6.546
170 HA CYS 21 HA CYS 21 34.453 1.237 3.872
171 HB2 CYS 21 1HB CYS 21 34.727 4.078 4.878
172 HB3 CYS 21 2HB CYS 21 34.284 3.566 3.253
173 HG CYS 21 HG CYS 21 31.984 3.823 4.222
174 H ILE 22 H ILE 22 36.765 2.790 6.074
175 HA ILE 22 HA ILE 22 38.822 3.244 4.202
176 HB ILE 22 HB ILE 22 39.135 2.464 7.111
177 HG12 ILE 22 1HG1 ILE 22 37.625 4.376 6.914
178 HG13 ILE 22 2HG1 ILE 22 39.183 4.909 7.531
179 HG21 ILE 22 1HG2 ILE 22 41.254 3.687 6.960
180 HG22 ILE 22 2HG2 ILE 22 40.942 4.047 5.261
181 HG23 ILE 22 3HG2 ILE 22 41.216 2.381 5.774
182 HD11 ILE 22 1HD1 ILE 22 39.452 5.169 4.756
183 HD12 ILE 22 2HD1 ILE 22 39.137 6.471 5.901
184 HD13 ILE 22 3HD1 ILE 22 37.796 5.678 5.080
185 H PHE 23 H PHE 23 37.969 0.328 6.066
186 HA PHE 23 HA PHE 23 40.069 -1.307 5.152
187 HB2 PHE 23 1HB PHE 23 38.384 -1.946 6.886
188 HB3 PHE 23 2HB PHE 23 37.219 -2.188 5.599
189 HD1 PHE 23 HD1 PHE 23 37.396 -4.086 4.072
190 HD2 PHE 23 HD2 PHE 23 40.250 -3.480 7.225
191 HE1 PHE 23 HE1 PHE 23 38.218 -6.406 3.775
192 HE2 PHE 23 HE2 PHE 23 41.071 -5.802 6.928
193 HZ PHE 23 HZ PHE 23 40.055 -7.265 5.202
194 H LEU 24 H LEU 24 36.996 -0.443 3.580
195 HA LEU 24 HA LEU 24 37.249 -2.067 1.315
196 HB2 LEU 24 1HB LEU 24 35.312 -0.521 2.019
197 HB3 LEU 24 2HB LEU 24 36.189 0.746 1.165
198 HG LEU 24 HG LEU 24 35.758 -1.863 -0.245
199 HD11 LEU 24 1HD1 LEU 24 33.576 -0.796 -1.122
200 HD12 LEU 24 2HD1 LEU 24 33.644 0.216 0.320
201 HD13 LEU 24 3HD1 LEU 24 33.529 -1.537 0.478
202 HD21 LEU 24 1HD2 LEU 24 36.974 -0.412 -1.591
203 HD22 LEU 24 2HD2 LEU 24 36.198 1.025 -0.928
204 HD23 LEU 24 3HD2 LEU 24 35.341 0.014 -2.091
205 H ILE 25 H ILE 25 38.738 1.093 2.011
206 HA ILE 25 HA ILE 25 39.956 1.481 -0.488
207 HB ILE 25 HB ILE 25 41.136 2.210 2.205
208 HG12 ILE 25 1HG1 ILE 25 39.361 3.847 0.369
209 HG13 ILE 25 2HG1 ILE 25 38.776 3.024 1.814
210 HG21 ILE 25 1HG2 ILE 25 42.331 3.922 0.964
211 HG22 ILE 25 2HG2 ILE 25 41.517 3.458 -0.531
212 HG23 ILE 25 3HG2 ILE 25 42.667 2.356 0.226
213 HD11 ILE 25 1HD1 ILE 25 40.637 4.295 3.070
214 HD12 ILE 25 2HD1 ILE 25 39.233 5.225 2.550
215 HD13 ILE 25 3HD1 ILE 25 40.735 5.310 1.631
216 H ALA 26 H ALA 26 40.978 -0.542 2.250
217 HA ALA 26 HA ALA 26 43.449 -1.372 1.210
218 HB1 ALA 26 1HB ALA 26 42.428 -1.917 3.494
219 HB2 ALA 26 2HB ALA 26 43.322 -3.213 2.700
220 HB3 ALA 26 3HB ALA 26 41.559 -3.214 2.674
221 H ILE 27 H ILE 27 40.177 -2.656 0.645
222 HA ILE 27 HA ILE 27 40.906 -4.736 -1.105
223 HB ILE 27 HB ILE 27 38.385 -3.057 -1.191
224 HG12 ILE 27 1HG1 ILE 27 38.919 -5.677 0.241
225 HG13 ILE 27 2HG1 ILE 27 38.918 -4.105 1.040
226 HG21 ILE 27 1HG2 ILE 27 37.391 -5.011 -2.265
227 HG22 ILE 27 2HG2 ILE 27 38.915 -5.891 -2.135
228 HG23 ILE 27 3HG2 ILE 27 38.794 -4.488 -3.198
229 HD11 ILE 27 1HD1 ILE 27 36.596 -5.417 -0.398
230 HD12 ILE 27 2HD1 ILE 27 36.578 -3.751 0.183
231 HD13 ILE 27 3HD1 ILE 27 36.724 -5.083 1.330
232 H LEU 28 H LEU 28 40.466 -1.269 -1.691
233 HA LEU 28 HA LEU 28 40.596 -1.328 -4.502
234 HB2 LEU 28 1HB LEU 28 40.044 0.691 -3.118
235 HB3 LEU 28 2HB LEU 28 41.760 0.831 -2.738
236 HG LEU 28 HG LEU 28 42.190 0.824 -5.250
237 HD11 LEU 28 1HD1 LEU 28 40.161 -0.022 -6.142
238 HD12 LEU 28 2HD1 LEU 28 40.127 1.699 -6.527
239 HD13 LEU 28 3HD1 LEU 28 39.181 1.078 -5.173
240 HD21 LEU 28 1HD2 LEU 28 41.290 3.250 -5.451
241 HD22 LEU 28 2HD2 LEU 28 42.437 2.906 -4.155
242 HD23 LEU 28 3HD2 LEU 28 40.714 3.021 -3.800
243 H ALA 29 H ALA 29 43.164 -1.415 -2.066
244 HA ALA 29 HA ALA 29 45.365 -1.232 -3.813
245 HB1 ALA 29 1HB ALA 29 46.662 -2.238 -2.064
246 HB2 ALA 29 2HB ALA 29 45.232 -2.982 -1.351
247 HB3 ALA 29 3HB ALA 29 45.440 -1.232 -1.287
248 H ALA 30 H ALA 30 43.408 -4.017 -2.824
249 HA ALA 30 HA ALA 30 44.867 -6.005 -4.188
250 HB1 ALA 30 1HB ALA 30 42.885 -7.371 -4.014
251 HB2 ALA 30 2HB ALA 30 41.869 -5.948 -3.782
252 HB3 ALA 30 3HB ALA 30 43.027 -6.420 -2.538
253 H SER 31 H SER 31 42.239 -3.885 -5.294
254 HA SER 31 HA SER 31 41.932 -5.010 -7.850
255 HB2 SER 31 1HB SER 31 40.712 -3.083 -8.432
256 HB3 SER 31 2HB SER 31 40.473 -3.243 -6.697
257 HG SER 31 HG SER 31 42.052 -1.431 -8.155
258 H ALA 32 H ALA 32 44.261 -2.610 -6.662
259 HA ALA 32 HA ALA 32 45.347 -1.878 -9.150
260 HB1 ALA 32 1HB ALA 32 47.398 -1.314 -7.855
261 HB2 ALA 32 2HB ALA 32 46.696 -2.115 -6.449
262 HB3 ALA 32 3HB ALA 32 45.929 -0.675 -7.117
263 H LEU 33 H LEU 33 46.117 -4.583 -6.972
264 HA LEU 33 HA LEU 33 48.259 -5.652 -8.461
265 HB2 LEU 33 1HB LEU 33 47.591 -6.392 -6.174
266 HB3 LEU 33 2HB LEU 33 46.196 -7.205 -6.883
267 HG LEU 33 HG LEU 33 47.837 -8.457 -8.377
268 HD11 LEU 33 1HD1 LEU 33 50.168 -8.580 -7.262
269 HD12 LEU 33 2HD1 LEU 33 49.729 -7.058 -6.485
270 HD13 LEU 33 3HD1 LEU 33 49.812 -7.159 -8.245
271 HD21 LEU 33 1HD2 LEU 33 47.951 -8.797 -5.364
272 HD22 LEU 33 2HD2 LEU 33 48.519 -10.006 -6.517
273 HD23 LEU 33 3HD2 LEU 33 46.812 -9.564 -6.472
274 H TRP 34 H TRP 34 44.747 -6.101 -8.786
275 HA TRP 34 HA TRP 34 44.797 -7.978 -10.884
276 HB2 TRP 34 1HB TRP 34 42.765 -7.186 -9.621
277 HB3 TRP 34 2HB TRP 34 42.803 -5.736 -10.605
278 HD1 TRP 34 HD1 TRP 34 41.727 -5.841 -12.932
279 HE1 TRP 34 HE1 TRP 34 40.567 -7.689 -14.302
280 HE3 TRP 34 HE3 TRP 34 42.872 -9.910 -10.069
281 HZ2 TRP 34 HZ2 TRP 34 40.172 -10.523 -14.197
282 HZ3 TRP 34 HZ3 TRP 34 42.093 -12.167 -10.723
283 HH2 TRP 34 HH2 TRP 34 40.747 -12.481 -12.781
284 H ALA 35 H ALA 35 45.281 -4.490 -10.914
285 HA ALA 35 HA ALA 35 45.121 -4.063 -13.686
286 HB1 ALA 35 1HB ALA 35 47.145 -2.598 -12.037
287 HB2 ALA 35 2HB ALA 35 45.430 -2.389 -11.683
288 HB3 ALA 35 3HB ALA 35 46.057 -1.983 -13.280
289 H ALA 36 H ALA 36 47.849 -5.040 -11.649
290 HA ALA 36 HA ALA 36 49.795 -5.162 -13.683
291 HB1 ALA 36 1HB ALA 36 49.706 -7.098 -11.379
292 HB2 ALA 36 2HB ALA 36 50.089 -5.394 -11.136
293 HB3 ALA 36 3HB ALA 36 51.114 -6.389 -12.170
294 H ALA 37 H ALA 37 47.448 -7.583 -12.582
295 HA ALA 37 HA ALA 37 48.331 -9.730 -14.152
296 HB1 ALA 37 1HB ALA 37 45.414 -9.275 -13.624
297 HB2 ALA 37 2HB ALA 37 46.516 -9.615 -12.291
298 HB3 ALA 37 3HB ALA 37 46.330 -10.782 -13.600
299 H TRP 38 H TRP 38 46.236 -7.024 -14.990
300 HA TRP 38 HA TRP 38 45.173 -7.970 -17.369
301 HB2 TRP 38 1HB TRP 38 45.751 -5.254 -16.300
302 HB3 TRP 38 2HB TRP 38 45.281 -5.402 -17.983
303 HD1 TRP 38 HD1 TRP 38 43.741 -4.530 -14.964
304 HE1 TRP 38 HE1 TRP 38 41.258 -5.206 -14.848
305 HE3 TRP 38 HE3 TRP 38 43.580 -7.933 -18.764
306 HZ2 TRP 38 HZ2 TRP 38 39.438 -6.962 -16.194
307 HZ3 TRP 38 HZ3 TRP 38 41.466 -9.090 -19.325
308 HH2 TRP 38 HH2 TRP 38 39.396 -8.612 -18.050
309 H HIS 39 H HIS 39 48.467 -7.001 -16.777
310 HA HIS 39 HA HIS 39 49.155 -5.970 -19.285
311 HB2 HIS 39 1HB HIS 39 50.820 -7.555 -17.329
312 HB3 HIS 39 2HB HIS 39 51.471 -6.704 -18.716
313 HD1 HIS 39 HD1 HIS 39 52.386 -5.949 -15.884
314 HD2 HIS 39 HD2 HIS 39 49.218 -4.079 -17.845
315 HE1 HIS 39 HE1 HIS 39 52.116 -3.678 -14.801
316 H GLY 40 H GLY 40 49.753 -6.828 -21.198
317 HA2 GLY 40 1HA GLY 40 49.039 -9.467 -21.932
318 HA3 GLY 40 2HA GLY 40 50.007 -8.355 -22.894
319 H GLN 41 H GLN 41 50.243 -11.336 -22.133
320 HA GLN 41 HA GLN 41 52.758 -11.732 -20.959
321 HB2 GLN 41 1HB GLN 41 51.418 -13.197 -23.237
322 HB3 GLN 41 2HB GLN 41 52.872 -13.761 -22.410
323 HG2 GLN 41 1HG GLN 41 51.675 -13.826 -20.280
324 HG3 GLN 41 2HG GLN 41 50.228 -13.176 -21.047
325 HE21 GLN 41 1HE2 GLN 41 50.256 -15.727 -19.702
326 HE22 GLN 41 2HE2 GLN 41 49.988 -16.932 -20.868
327 H LYS 42 H LYS 42 51.970 -10.186 -23.949
328 HA LYS 42 HA LYS 42 54.012 -11.010 -25.623
329 HB2 LYS 42 1HB LYS 42 52.399 -8.483 -25.535
330 HB3 LYS 42 2HB LYS 42 53.530 -8.851 -26.838
331 HG2 LYS 42 1HG LYS 42 52.310 -10.734 -27.540
332 HG3 LYS 42 2HG LYS 42 51.453 -10.865 -26.004
333 HD2 LYS 42 1HD LYS 42 49.808 -9.917 -27.348
334 HD3 LYS 42 2HD LYS 42 50.542 -8.475 -26.645
335 HE2 LYS 42 1HE LYS 42 51.664 -7.920 -28.609
336 HE3 LYS 42 2HE LYS 42 51.650 -9.580 -29.207
337 HZ1 LYS 42 1HZ LYS 42 49.140 -9.293 -29.295
338 HZ2 LYS 42 2HZ LYS 42 50.056 -8.483 -30.474
339 HZ3 LYS 42 3HZ LYS 42 49.432 -7.629 -29.146
340 HA PRO 43 HA PRO 43 56.557 -7.014 -24.298
341 HB2 PRO 43 1HB PRO 43 56.745 -7.730 -21.401
342 HB3 PRO 43 2HB PRO 43 56.751 -6.130 -22.173
343 HG2 PRO 43 1HG PRO 43 54.592 -6.987 -20.939
344 HG3 PRO 43 2HG PRO 43 54.458 -6.126 -22.486
345 HD2 PRO 43 1HD PRO 43 54.224 -9.063 -21.946
346 HD3 PRO 43 2HD PRO 43 53.277 -8.052 -23.061
347 H GLY 44 H GLY 44 58.774 -7.170 -24.375
348 HA2 GLY 44 1HA GLY 44 60.807 -8.197 -24.650
349 HA3 GLY 44 2HA GLY 44 60.378 -9.192 -23.262
350 H THR 45 H THR 45 58.872 -8.934 -26.471
351 HA THR 45 HA THR 45 58.462 -11.677 -26.845
352 HB THR 45 HB THR 45 58.935 -9.615 -29.010
353 HG1 THR 45 HG1 THR 45 56.792 -9.150 -28.799
354 HG21 THR 45 1HG2 THR 45 57.564 -12.305 -28.899
355 HG22 THR 45 2HG2 THR 45 58.870 -11.795 -29.968
356 HG23 THR 45 3HG2 THR 45 57.247 -11.139 -30.183
357 H HIS 46 H HIS 46 59.634 -13.288 -27.867
358 HA HIS 46 HA HIS 46 61.507 -14.444 -28.523
359 HB2 HIS 46 1HB HIS 46 61.292 -12.971 -30.480
360 HB3 HIS 46 2HB HIS 46 62.257 -11.751 -29.671
361 HD1 HIS 46 HD1 HIS 46 64.794 -12.042 -29.699
362 HD2 HIS 46 HD2 HIS 46 62.771 -15.284 -31.363
363 HE1 HIS 46 HE1 HIS 46 66.549 -13.482 -30.820
Start of MODEL 15
1 H ARG 1 3H ARG 1 24.695 22.159 14.878
2 HA ARG 1 HA ARG 1 23.990 20.868 17.152
3 HB2 ARG 1 1HB ARG 1 25.604 19.023 15.363
4 HB3 ARG 1 2HB ARG 1 25.335 18.777 17.090
5 HG2 ARG 1 1HG ARG 1 22.880 18.747 16.671
6 HG3 ARG 1 2HG ARG 1 23.198 18.886 14.941
7 HD2 ARG 1 1HD ARG 1 24.591 16.791 15.113
8 HD3 ARG 1 2HD ARG 1 24.026 16.621 16.772
9 HE ARG 1 HE ARG 1 21.989 15.896 15.952
10 HH11 ARG 1 1HH1 ARG 1 23.730 17.445 13.325
11 HH12 ARG 1 2HH1 ARG 1 22.565 16.964 12.137
12 HH21 ARG 1 1HH2 ARG 1 20.526 15.304 14.377
13 HH22 ARG 1 2HH2 ARG 1 20.774 15.767 12.726
14 H SER 2 H SER 2 25.053 23.106 17.083
15 HA SER 2 HA SER 2 27.777 23.492 16.593
16 HB2 SER 2 1HB SER 2 26.145 25.315 17.045
17 HB3 SER 2 2HB SER 2 26.102 24.823 18.734
18 HG SER 2 HG SER 2 27.728 26.517 17.739
19 H LEU 3 H LEU 3 29.616 23.330 17.844
20 HA LEU 3 HA LEU 3 29.843 21.217 19.658
21 HB2 LEU 3 1HB LEU 3 31.694 22.307 18.349
22 HB3 LEU 3 2HB LEU 3 31.655 23.632 19.510
23 HG LEU 3 HG LEU 3 31.930 21.776 21.309
24 HD11 LEU 3 1HD1 LEU 3 31.543 20.020 19.385
25 HD12 LEU 3 2HD1 LEU 3 32.730 19.686 20.645
26 HD13 LEU 3 3HD1 LEU 3 33.259 20.276 19.071
27 HD21 LEU 3 1HD2 LEU 3 34.344 21.929 21.125
28 HD22 LEU 3 2HD2 LEU 3 33.653 23.465 20.601
29 HD23 LEU 3 3HD2 LEU 3 34.229 22.304 19.405
30 H LEU 4 H LEU 4 28.900 24.537 20.237
31 HA LEU 4 HA LEU 4 29.603 24.805 22.941
32 HB2 LEU 4 1HB LEU 4 27.213 25.979 21.504
33 HB3 LEU 4 2HB LEU 4 27.892 26.555 23.025
34 HG LEU 4 HG LEU 4 29.400 26.441 20.395
35 HD11 LEU 4 1HD1 LEU 4 29.172 28.890 20.406
36 HD12 LEU 4 2HD1 LEU 4 28.222 28.805 21.889
37 HD13 LEU 4 3HD1 LEU 4 27.582 28.126 20.391
38 HD21 LEU 4 1HD2 LEU 4 30.975 27.953 21.710
39 HD22 LEU 4 2HD2 LEU 4 30.938 26.269 22.235
40 HD23 LEU 4 3HD2 LEU 4 30.071 27.499 23.154
41 H GLU 5 H GLU 5 27.026 22.979 21.469
42 HA GLU 5 HA GLU 5 25.293 22.898 23.733
43 HB2 GLU 5 1HB GLU 5 25.516 21.059 21.347
44 HB3 GLU 5 2HB GLU 5 24.207 21.016 22.529
45 HG2 GLU 5 1HG GLU 5 23.703 23.397 22.011
46 HG3 GLU 5 2HG GLU 5 24.951 23.371 20.773
47 H GLY 6 H GLY 6 28.150 21.073 22.902
48 HA2 GLY 6 1HA GLY 6 29.347 19.543 24.134
49 HA3 GLY 6 2HA GLY 6 28.309 19.933 25.497
50 H GLU 7 H GLU 7 26.931 18.754 22.489
51 HA GLU 7 HA GLU 7 25.490 16.679 23.685
52 HB2 GLU 7 1HB GLU 7 25.040 17.664 21.427
53 HB3 GLU 7 2HB GLU 7 26.429 16.766 20.810
54 HG2 GLU 7 1HG GLU 7 25.372 14.654 21.600
55 HG3 GLU 7 2HG GLU 7 23.963 15.575 22.109
56 H ILE 8 H ILE 8 25.820 14.470 23.884
57 HA ILE 8 HA ILE 8 28.384 13.601 24.523
58 HB ILE 8 HB ILE 8 25.983 11.935 23.721
59 HG12 ILE 8 1HG1 ILE 8 26.944 12.772 26.472
60 HG13 ILE 8 2HG1 ILE 8 25.638 13.576 25.602
61 HG21 ILE 8 1HG2 ILE 8 28.135 10.673 23.741
62 HG22 ILE 8 2HG2 ILE 8 27.034 10.149 25.015
63 HG23 ILE 8 3HG2 ILE 8 28.396 11.198 25.405
64 HD11 ILE 8 1HD1 ILE 8 24.550 12.002 27.011
65 HD12 ILE 8 2HD1 ILE 8 25.719 10.737 26.628
66 HD13 ILE 8 3HD1 ILE 8 24.551 11.257 25.412
67 HA PRO 9 HA PRO 9 30.183 12.708 20.486
68 HB2 PRO 9 1HB PRO 9 31.429 10.321 21.756
69 HB3 PRO 9 2HB PRO 9 32.190 11.655 20.865
70 HG2 PRO 9 1HG PRO 9 32.405 11.473 23.500
71 HG3 PRO 9 2HG PRO 9 32.220 13.044 22.696
72 HD2 PRO 9 1HD PRO 9 30.177 11.457 24.206
73 HD3 PRO 9 2HD PRO 9 30.420 13.217 24.153
74 H PHE 10 H PHE 10 29.711 11.393 18.724
75 HA PHE 10 HA PHE 10 27.472 9.733 18.753
76 HB2 PHE 10 1HB PHE 10 29.803 9.860 16.844
77 HB3 PHE 10 2HB PHE 10 28.388 8.864 16.559
78 HD1 PHE 10 HD1 PHE 10 29.619 12.341 16.907
79 HD2 PHE 10 HD2 PHE 10 26.321 9.822 15.799
80 HE1 PHE 10 HE1 PHE 10 28.471 14.292 15.894
81 HE2 PHE 10 HE2 PHE 10 25.172 11.772 14.785
82 HZ PHE 10 HZ PHE 10 26.248 14.007 14.831
83 HA PRO 11 HA PRO 11 28.759 6.065 20.725
84 HB2 PRO 11 1HB PRO 11 27.592 4.436 18.514
85 HB3 PRO 11 2HB PRO 11 27.263 4.374 20.256
86 HG2 PRO 11 1HG PRO 11 25.535 5.458 18.554
87 HG3 PRO 11 2HG PRO 11 25.787 6.127 20.178
88 HD2 PRO 11 1HD PRO 11 26.734 7.180 17.546
89 HD3 PRO 11 2HD PRO 11 26.244 8.060 19.011
90 HA PRO 12 HA PRO 12 32.634 5.123 18.723
91 HB2 PRO 12 1HB PRO 12 32.680 2.501 20.116
92 HB3 PRO 12 2HB PRO 12 33.844 3.837 20.180
93 HG2 PRO 12 1HG PRO 12 32.203 3.274 22.212
94 HG3 PRO 12 2HG PRO 12 32.711 4.929 21.829
95 HD2 PRO 12 1HD PRO 12 30.080 3.606 21.315
96 HD3 PRO 12 2HD PRO 12 30.440 5.302 21.709
97 H THR 13 H THR 13 30.115 2.621 18.810
98 HA THR 13 HA THR 13 31.145 0.962 16.786
99 HB THR 13 HB THR 13 29.284 0.224 18.146
100 HG1 THR 13 HG1 THR 13 28.259 0.592 15.545
101 HG21 THR 13 1HG2 THR 13 28.210 2.431 18.461
102 HG22 THR 13 2HG2 THR 13 27.053 1.218 17.917
103 HG23 THR 13 3HG2 THR 13 27.683 2.408 16.779
104 H SER 14 H SER 14 29.210 3.937 16.582
105 HA SER 14 HA SER 14 28.765 3.875 13.795
106 HB2 SER 14 1HB SER 14 27.659 5.464 15.365
107 HB3 SER 14 2HB SER 14 29.194 6.308 15.546
108 HG SER 14 HG SER 14 27.481 6.103 13.325
109 H ILE 15 H ILE 15 31.446 5.163 15.737
110 HA ILE 15 HA ILE 15 32.955 6.248 13.618
111 HB ILE 15 HB ILE 15 34.037 4.904 16.104
112 HG12 ILE 15 1HG1 ILE 15 32.362 6.586 16.726
113 HG13 ILE 15 2HG1 ILE 15 33.978 7.158 17.121
114 HG21 ILE 15 1HG2 ILE 15 35.168 7.038 14.275
115 HG22 ILE 15 2HG2 ILE 15 35.753 5.384 14.443
116 HG23 ILE 15 3HG2 ILE 15 35.906 6.513 15.788
117 HD11 ILE 15 1HD1 ILE 15 32.350 7.945 14.683
118 HD12 ILE 15 2HD1 ILE 15 33.997 8.484 15.010
119 HD13 ILE 15 3HD1 ILE 15 32.684 8.958 16.085
120 H LEU 16 H LEU 16 32.716 2.927 14.831
121 HA LEU 16 HA LEU 16 34.805 1.799 13.319
122 HB2 LEU 16 1HB LEU 16 33.513 0.649 15.139
123 HB3 LEU 16 2HB LEU 16 32.176 0.468 14.003
124 HG LEU 16 HG LEU 16 33.959 -0.607 12.436
125 HD11 LEU 16 1HD1 LEU 16 35.761 0.147 14.202
126 HD12 LEU 16 2HD1 LEU 16 35.931 -1.408 13.388
127 HD13 LEU 16 3HD1 LEU 16 35.288 -1.336 15.028
128 HD21 LEU 16 1HD2 LEU 16 32.836 -1.889 14.936
129 HD22 LEU 16 2HD2 LEU 16 33.666 -2.819 13.687
130 HD23 LEU 16 3HD2 LEU 16 32.181 -1.949 13.300
131 H LEU 17 H LEU 17 31.425 2.491 12.475
132 HA LEU 17 HA LEU 17 31.405 1.248 9.953
133 HB2 LEU 17 1HB LEU 17 29.967 3.776 10.798
134 HB3 LEU 17 2HB LEU 17 29.563 2.778 9.401
135 HG LEU 17 HG LEU 17 29.568 1.788 12.268
136 HD11 LEU 17 1HD1 LEU 17 27.316 2.682 10.443
137 HD12 LEU 17 2HD1 LEU 17 27.768 3.384 11.997
138 HD13 LEU 17 3HD1 LEU 17 27.067 1.768 11.931
139 HD21 LEU 17 1HD2 LEU 17 28.826 0.579 9.597
140 HD22 LEU 17 2HD2 LEU 17 28.186 -0.060 11.111
141 HD23 LEU 17 3HD2 LEU 17 29.925 -0.064 10.818
142 H LEU 18 H LEU 18 32.530 4.470 10.925
143 HA LEU 18 HA LEU 18 33.104 5.447 8.340
144 HB2 LEU 18 1HB LEU 18 34.588 5.993 10.923
145 HB3 LEU 18 2HB LEU 18 34.677 6.970 9.457
146 HG LEU 18 HG LEU 18 32.122 6.430 11.000
147 HD11 LEU 18 1HD1 LEU 18 32.352 8.544 12.008
148 HD12 LEU 18 2HD1 LEU 18 33.567 9.070 10.843
149 HD13 LEU 18 3HD1 LEU 18 33.988 7.892 12.087
150 HD21 LEU 18 1HD2 LEU 18 31.578 6.905 8.731
151 HD22 LEU 18 2HD2 LEU 18 32.844 8.125 8.602
152 HD23 LEU 18 3HD2 LEU 18 31.404 8.447 9.568
153 H LEU 19 H LEU 19 35.034 3.461 10.556
154 HA LEU 19 HA LEU 19 37.354 3.293 8.968
155 HB2 LEU 19 1HB LEU 19 36.209 1.166 10.789
156 HB3 LEU 19 2HB LEU 19 37.873 1.260 10.218
157 HG LEU 19 HG LEU 19 36.492 3.366 11.909
158 HD11 LEU 19 1HD1 LEU 19 37.587 2.488 13.775
159 HD12 LEU 19 2HD1 LEU 19 38.796 1.651 12.800
160 HD13 LEU 19 3HD1 LEU 19 37.154 1.020 12.899
161 HD21 LEU 19 1HD2 LEU 19 38.158 4.513 10.704
162 HD22 LEU 19 2HD2 LEU 19 39.236 3.118 10.685
163 HD23 LEU 19 3HD2 LEU 19 39.007 4.034 12.174
164 H ALA 20 H ALA 20 34.311 1.523 8.795
165 HA ALA 20 HA ALA 20 35.138 -0.500 7.022
166 HB1 ALA 20 1HB ALA 20 32.844 -0.935 6.664
167 HB2 ALA 20 2HB ALA 20 32.390 0.739 6.981
168 HB3 ALA 20 3HB ALA 20 32.925 -0.295 8.305
169 H CYS 21 H CYS 21 33.884 2.762 6.415
170 HA CYS 21 HA CYS 21 33.717 2.553 3.608
171 HB2 CYS 21 1HB CYS 21 34.337 4.994 5.292
172 HB3 CYS 21 2HB CYS 21 33.824 5.017 3.605
173 HG CYS 21 HG CYS 21 32.013 4.147 5.993
174 H ILE 22 H ILE 22 36.395 3.556 5.726
175 HA ILE 22 HA ILE 22 38.241 4.179 3.685
176 HB ILE 22 HB ILE 22 38.820 2.985 6.412
177 HG12 ILE 22 1HG1 ILE 22 38.727 5.896 5.563
178 HG13 ILE 22 2HG1 ILE 22 37.416 5.080 6.416
179 HG21 ILE 22 1HG2 ILE 22 40.559 4.735 4.648
180 HG22 ILE 22 2HG2 ILE 22 40.714 2.981 4.743
181 HG23 ILE 22 3HG2 ILE 22 41.016 3.971 6.171
182 HD11 ILE 22 1HD1 ILE 22 40.251 5.481 7.411
183 HD12 ILE 22 2HD1 ILE 22 39.042 4.496 8.236
184 HD13 ILE 22 3HD1 ILE 22 38.790 6.232 8.052
185 H PHE 23 H PHE 23 37.390 1.075 5.194
186 HA PHE 23 HA PHE 23 39.357 -0.503 3.972
187 HB2 PHE 23 1HB PHE 23 37.771 -1.225 5.770
188 HB3 PHE 23 2HB PHE 23 36.517 -1.338 4.550
189 HD1 PHE 23 HD1 PHE 23 39.794 -2.703 5.637
190 HD2 PHE 23 HD2 PHE 23 36.364 -3.238 3.106
191 HE1 PHE 23 HE1 PHE 23 40.537 -5.011 5.118
192 HE2 PHE 23 HE2 PHE 23 37.109 -5.546 2.587
193 HZ PHE 23 HZ PHE 23 39.195 -6.432 3.592
194 H LEU 24 H LEU 24 36.211 0.596 2.727
195 HA LEU 24 HA LEU 24 36.201 -0.880 0.349
196 HB2 LEU 24 1HB LEU 24 34.312 0.512 1.184
197 HB3 LEU 24 2HB LEU 24 35.209 1.955 0.711
198 HG LEU 24 HG LEU 24 35.320 1.010 -1.631
199 HD11 LEU 24 1HD1 LEU 24 33.471 -0.721 -2.069
200 HD12 LEU 24 2HD1 LEU 24 33.486 -1.010 -0.330
201 HD13 LEU 24 3HD1 LEU 24 34.935 -1.314 -1.286
202 HD21 LEU 24 1HD2 LEU 24 32.745 1.359 -1.974
203 HD22 LEU 24 2HD2 LEU 24 33.718 2.704 -1.380
204 HD23 LEU 24 3HD2 LEU 24 32.748 1.752 -0.255
205 H ILE 25 H ILE 25 37.778 2.234 1.079
206 HA ILE 25 HA ILE 25 38.870 2.690 -1.468
207 HB ILE 25 HB ILE 25 40.141 3.311 1.212
208 HG12 ILE 25 1HG1 ILE 25 38.366 5.029 -0.549
209 HG13 ILE 25 2HG1 ILE 25 37.795 4.172 0.882
210 HG21 ILE 25 1HG2 ILE 25 41.696 3.522 -0.700
211 HG22 ILE 25 2HG2 ILE 25 41.283 5.105 -0.044
212 HG23 ILE 25 3HG2 ILE 25 40.528 4.544 -1.536
213 HD11 ILE 25 1HD1 ILE 25 38.320 6.454 1.520
214 HD12 ILE 25 2HD1 ILE 25 39.922 6.329 0.793
215 HD13 ILE 25 3HD1 ILE 25 39.530 5.385 2.230
216 H ALA 26 H ALA 26 40.004 0.594 1.158
217 HA ALA 26 HA ALA 26 42.440 -0.187 0.007
218 HB1 ALA 26 1HB ALA 26 40.778 -2.180 1.495
219 HB2 ALA 26 2HB ALA 26 41.346 -0.740 2.339
220 HB3 ALA 26 3HB ALA 26 42.507 -1.851 1.612
221 H ILE 27 H ILE 27 39.155 -1.460 -0.472
222 HA ILE 27 HA ILE 27 39.862 -3.695 -2.028
223 HB ILE 27 HB ILE 27 37.367 -2.006 -2.297
224 HG12 ILE 27 1HG1 ILE 27 37.682 -2.674 0.039
225 HG13 ILE 27 2HG1 ILE 27 36.365 -3.593 -0.681
226 HG21 ILE 27 1HG2 ILE 27 37.408 -3.515 -4.108
227 HG22 ILE 27 2HG2 ILE 27 36.433 -4.338 -2.892
228 HG23 ILE 27 3HG2 ILE 27 38.117 -4.802 -3.134
229 HD11 ILE 27 1HD1 ILE 27 37.768 -5.088 0.638
230 HD12 ILE 27 2HD1 ILE 27 39.204 -4.565 -0.238
231 HD13 ILE 27 3HD1 ILE 27 37.953 -5.489 -1.068
232 H LEU 28 H LEU 28 39.333 -0.303 -2.947
233 HA LEU 28 HA LEU 28 39.623 -0.641 -5.733
234 HB2 LEU 28 1HB LEU 28 40.179 1.646 -3.870
235 HB3 LEU 28 2HB LEU 28 40.607 1.761 -5.578
236 HG LEU 28 HG LEU 28 38.197 0.987 -6.054
237 HD11 LEU 28 1HD1 LEU 28 36.624 1.699 -4.175
238 HD12 LEU 28 2HD1 LEU 28 38.035 1.701 -3.120
239 HD13 LEU 28 3HD1 LEU 28 37.517 0.205 -3.897
240 HD21 LEU 28 1HD2 LEU 28 38.935 3.277 -6.465
241 HD22 LEU 28 2HD2 LEU 28 38.754 3.672 -4.755
242 HD23 LEU 28 3HD2 LEU 28 37.331 3.313 -5.732
243 H ALA 29 H ALA 29 42.045 -0.341 -3.171
244 HA ALA 29 HA ALA 29 44.333 -0.288 -4.812
245 HB1 ALA 29 1HB ALA 29 45.571 -0.842 -2.883
246 HB2 ALA 29 2HB ALA 29 44.224 -1.727 -2.167
247 HB3 ALA 29 3HB ALA 29 44.169 0.032 -2.269
248 H ALA 30 H ALA 30 42.414 -2.998 -3.589
249 HA ALA 30 HA ALA 30 44.110 -5.077 -4.435
250 HB1 ALA 30 1HB ALA 30 42.374 -6.514 -3.919
251 HB2 ALA 30 2HB ALA 30 41.141 -5.420 -4.545
252 HB3 ALA 30 3HB ALA 30 41.904 -5.092 -2.989
253 H SER 31 H SER 31 41.516 -3.352 -6.145
254 HA SER 31 HA SER 31 41.514 -4.897 -8.486
255 HB2 SER 31 1HB SER 31 39.859 -3.101 -7.920
256 HB3 SER 31 2HB SER 31 41.089 -1.907 -8.322
257 HG SER 31 HG SER 31 41.196 -2.971 -10.410
258 H ALA 32 H ALA 32 43.558 -2.132 -7.563
259 HA ALA 32 HA ALA 32 44.965 -1.905 -9.989
260 HB1 ALA 32 1HB ALA 32 45.641 -1.245 -7.136
261 HB2 ALA 32 2HB ALA 32 45.326 -0.151 -8.482
262 HB3 ALA 32 3HB ALA 32 46.843 -1.048 -8.410
263 H LEU 33 H LEU 33 45.529 -3.965 -7.151
264 HA LEU 33 HA LEU 33 47.956 -5.112 -7.995
265 HB2 LEU 33 1HB LEU 33 46.953 -5.386 -5.726
266 HB3 LEU 33 2HB LEU 33 45.759 -6.478 -6.426
267 HG LEU 33 HG LEU 33 47.697 -7.863 -7.305
268 HD11 LEU 33 1HD1 LEU 33 49.521 -6.340 -7.229
269 HD12 LEU 33 2HD1 LEU 33 49.835 -7.484 -5.924
270 HD13 LEU 33 3HD1 LEU 33 49.175 -5.889 -5.560
271 HD21 LEU 33 1HD2 LEU 33 46.463 -8.586 -5.337
272 HD22 LEU 33 2HD2 LEU 33 47.374 -7.475 -4.314
273 HD23 LEU 33 3HD2 LEU 33 48.182 -8.858 -5.051
274 H TRP 34 H TRP 34 44.598 -5.937 -8.796
275 HA TRP 34 HA TRP 34 45.100 -8.279 -10.271
276 HB2 TRP 34 1HB TRP 34 42.853 -7.310 -9.637
277 HB3 TRP 34 2HB TRP 34 43.046 -6.186 -10.968
278 HD1 TRP 34 HD1 TRP 34 42.338 -9.826 -10.170
279 HE1 TRP 34 HE1 TRP 34 41.513 -11.010 -12.304
280 HE3 TRP 34 HE3 TRP 34 43.199 -6.149 -13.609
281 HZ2 TRP 34 HZ2 TRP 34 41.252 -10.471 -15.105
282 HZ3 TRP 34 HZ3 TRP 34 42.655 -6.510 -15.997
283 HH2 TRP 34 HH2 TRP 34 41.684 -8.662 -16.751
284 H ALA 35 H ALA 35 45.406 -4.877 -11.173
285 HA ALA 35 HA ALA 35 45.920 -5.235 -13.918
286 HB1 ALA 35 1HB ALA 35 46.628 -3.031 -13.935
287 HB2 ALA 35 2HB ALA 35 47.418 -3.163 -12.364
288 HB3 ALA 35 3HB ALA 35 45.661 -3.053 -12.460
289 H ALA 36 H ALA 36 48.099 -5.292 -11.122
290 HA ALA 36 HA ALA 36 50.483 -5.832 -12.525
291 HB1 ALA 36 1HB ALA 36 50.120 -5.276 -10.022
292 HB2 ALA 36 2HB ALA 36 51.423 -6.383 -10.455
293 HB3 ALA 36 3HB ALA 36 49.901 -7.015 -9.825
294 H ALA 37 H ALA 37 47.909 -7.982 -11.432
295 HA ALA 37 HA ALA 37 49.217 -10.428 -11.748
296 HB1 ALA 37 1HB ALA 37 46.283 -9.914 -12.245
297 HB2 ALA 37 2HB ALA 37 47.003 -10.066 -10.643
298 HB3 ALA 37 3HB ALA 37 47.033 -11.434 -11.756
299 H TRP 38 H TRP 38 47.541 -8.451 -14.162
300 HA TRP 38 HA TRP 38 47.474 -10.327 -16.212
301 HB2 TRP 38 1HB TRP 38 46.692 -8.673 -17.491
302 HB3 TRP 38 2HB TRP 38 46.604 -7.825 -15.975
303 HD1 TRP 38 HD1 TRP 38 49.670 -6.910 -15.808
304 HE1 TRP 38 HE1 TRP 38 50.507 -5.081 -17.418
305 HE3 TRP 38 HE3 TRP 38 46.124 -7.266 -19.462
306 HZ2 TRP 38 HZ2 TRP 38 49.768 -3.919 -19.929
307 HZ3 TRP 38 HZ3 TRP 38 46.213 -5.791 -21.447
308 HH2 TRP 38 HH2 TRP 38 48.026 -4.119 -21.688
309 H HIS 39 H HIS 39 50.241 -8.672 -14.961
310 HA HIS 39 HA HIS 39 51.967 -8.731 -17.154
311 HB2 HIS 39 1HB HIS 39 52.423 -7.578 -15.018
312 HB3 HIS 39 2HB HIS 39 52.655 -9.132 -14.243
313 HD1 HIS 39 HD1 HIS 39 54.905 -10.296 -14.580
314 HD2 HIS 39 HD2 HIS 39 54.516 -6.824 -16.855
315 HE1 HIS 39 HE1 HIS 39 57.199 -9.802 -15.530
316 H GLY 40 H GLY 40 53.380 -10.207 -17.980
317 HA2 GLY 40 1HA GLY 40 54.547 -12.174 -18.262
318 HA3 GLY 40 2HA GLY 40 54.064 -12.638 -16.636
319 H GLN 41 H GLN 41 53.983 -14.747 -17.826
320 HA GLN 41 HA GLN 41 52.080 -15.408 -19.755
321 HB2 GLN 41 1HB GLN 41 53.205 -17.080 -17.498
322 HB3 GLN 41 2HB GLN 41 52.290 -17.724 -18.863
323 HG2 GLN 41 1HG GLN 41 53.958 -16.872 -20.430
324 HG3 GLN 41 2HG GLN 41 54.852 -16.125 -19.109
325 HE21 GLN 41 1HE2 GLN 41 56.067 -18.072 -20.824
326 HE22 GLN 41 2HE2 GLN 41 56.384 -19.464 -19.907
327 H LYS 42 H LYS 42 49.988 -16.177 -19.674
328 HA LYS 42 HA LYS 42 48.214 -15.102 -17.825
329 HB2 LYS 42 1HB LYS 42 47.867 -17.548 -19.574
330 HB3 LYS 42 2HB LYS 42 46.557 -16.692 -18.761
331 HG2 LYS 42 1HG LYS 42 48.437 -15.156 -20.527
332 HG3 LYS 42 2HG LYS 42 47.147 -16.109 -21.260
333 HD2 LYS 42 1HD LYS 42 45.526 -14.936 -19.714
334 HD3 LYS 42 2HD LYS 42 46.849 -13.864 -19.250
335 HE2 LYS 42 1HE LYS 42 45.502 -12.854 -21.050
336 HE3 LYS 42 2HE LYS 42 47.138 -13.198 -21.611
337 HZ1 LYS 42 1HZ LYS 42 45.208 -13.896 -23.093
338 HZ2 LYS 42 2HZ LYS 42 44.945 -15.144 -21.971
339 HZ3 LYS 42 3HZ LYS 42 46.423 -15.045 -22.805
340 HA PRO 43 HA PRO 43 48.668 -17.561 -14.191
341 HB2 PRO 43 1HB PRO 43 45.708 -17.799 -13.991
342 HB3 PRO 43 2HB PRO 43 46.874 -17.159 -12.817
343 HG2 PRO 43 1HG PRO 43 45.265 -15.559 -14.208
344 HG3 PRO 43 2HG PRO 43 46.919 -15.087 -13.781
345 HD2 PRO 43 1HD PRO 43 45.841 -15.968 -16.424
346 HD3 PRO 43 2HD PRO 43 47.131 -14.801 -16.058
347 H GLY 44 H GLY 44 48.750 -19.702 -13.566
348 HA2 GLY 44 1HA GLY 44 48.772 -21.982 -13.855
349 HA3 GLY 44 2HA GLY 44 47.084 -21.797 -14.316
350 H THR 45 H THR 45 50.147 -20.794 -15.849
351 HA THR 45 HA THR 45 49.350 -21.272 -18.484
352 HB THR 45 HB THR 45 52.159 -21.489 -17.386
353 HG1 THR 45 HG1 THR 45 51.494 -19.529 -16.780
354 HG21 THR 45 1HG2 THR 45 52.024 -22.253 -19.675
355 HG22 THR 45 2HG2 THR 45 52.714 -20.630 -19.686
356 HG23 THR 45 3HG2 THR 45 51.022 -20.872 -20.125
357 H HIS 46 H HIS 46 50.461 -23.539 -16.054
358 HA HIS 46 HA HIS 46 50.183 -25.716 -18.037
359 HB2 HIS 46 1HB HIS 46 52.026 -26.900 -16.919
360 HB3 HIS 46 2HB HIS 46 52.552 -25.397 -17.653
361 HD1 HIS 46 HD1 HIS 46 53.038 -23.384 -15.978
362 HD2 HIS 46 HD2 HIS 46 52.436 -27.087 -14.162
363 HE1 HIS 46 HE1 HIS 46 53.892 -23.164 -13.607
Start of MODEL 16
1 H ARG 1 3H ARG 1 31.556 7.635 33.937
2 HA ARG 1 HA ARG 1 32.060 8.936 32.089
3 HB2 ARG 1 1HB ARG 1 34.733 8.416 33.423
4 HB3 ARG 1 2HB ARG 1 34.231 9.893 32.606
5 HG2 ARG 1 1HG ARG 1 32.852 8.775 35.063
6 HG3 ARG 1 2HG ARG 1 34.101 10.018 35.117
7 HD2 ARG 1 1HD ARG 1 31.482 10.254 33.606
8 HD3 ARG 1 2HD ARG 1 31.823 10.990 35.167
9 HE ARG 1 HE ARG 1 33.828 11.977 33.707
10 HH11 ARG 1 1HH1 ARG 1 30.419 11.730 32.907
11 HH12 ARG 1 2HH1 ARG 1 30.457 13.124 31.880
12 HH21 ARG 1 1HH2 ARG 1 33.813 13.767 32.375
13 HH22 ARG 1 2HH2 ARG 1 32.355 14.262 31.584
14 H SER 2 H SER 2 34.347 6.234 32.378
15 HA SER 2 HA SER 2 35.636 6.500 29.914
16 HB2 SER 2 1HB SER 2 36.349 4.948 31.718
17 HB3 SER 2 2HB SER 2 34.962 3.926 31.357
18 HG SER 2 HG SER 2 35.973 3.203 29.653
19 H LEU 3 H LEU 3 35.268 5.679 27.875
20 HA LEU 3 HA LEU 3 32.655 5.555 26.898
21 HB2 LEU 3 1HB LEU 3 34.714 5.981 25.553
22 HB3 LEU 3 2HB LEU 3 35.100 4.266 25.672
23 HG LEU 3 HG LEU 3 32.846 3.772 24.644
24 HD11 LEU 3 1HD1 LEU 3 32.857 6.778 24.525
25 HD12 LEU 3 2HD1 LEU 3 31.548 5.693 24.990
26 HD13 LEU 3 3HD1 LEU 3 32.002 5.851 23.293
27 HD21 LEU 3 1HD2 LEU 3 33.570 4.640 22.333
28 HD22 LEU 3 2HD2 LEU 3 34.728 3.624 23.193
29 HD23 LEU 3 3HD2 LEU 3 34.940 5.375 23.166
30 H LEU 4 H LEU 4 34.561 3.042 28.389
31 HA LEU 4 HA LEU 4 33.414 0.750 27.249
32 HB2 LEU 4 1HB LEU 4 34.421 1.129 30.076
33 HB3 LEU 4 2HB LEU 4 34.184 -0.415 29.259
34 HG LEU 4 HG LEU 4 36.062 1.767 28.306
35 HD11 LEU 4 1HD1 LEU 4 36.804 0.718 30.427
36 HD12 LEU 4 2HD1 LEU 4 37.853 0.269 29.082
37 HD13 LEU 4 3HD1 LEU 4 36.651 -0.873 29.683
38 HD21 LEU 4 1HD2 LEU 4 35.415 0.478 26.420
39 HD22 LEU 4 2HD2 LEU 4 35.389 -1.021 27.350
40 HD23 LEU 4 3HD2 LEU 4 36.928 -0.259 26.948
41 H GLU 5 H GLU 5 32.084 2.998 29.545
42 HA GLU 5 HA GLU 5 30.230 1.220 30.785
43 HB2 GLU 5 1HB GLU 5 30.218 4.233 30.550
44 HB3 GLU 5 2HB GLU 5 29.146 3.300 31.594
45 HG2 GLU 5 1HG GLU 5 32.174 3.262 31.722
46 HG3 GLU 5 2HG GLU 5 31.126 4.144 32.825
47 H GLY 6 H GLY 6 30.136 2.973 27.763
48 HA2 GLY 6 1HA GLY 6 28.664 2.697 26.006
49 HA3 GLY 6 2HA GLY 6 27.786 1.532 26.979
50 H GLU 7 H GLU 7 27.809 4.091 28.994
51 HA GLU 7 HA GLU 7 25.103 4.710 28.664
52 HB2 GLU 7 1HB GLU 7 27.295 6.339 29.963
53 HB3 GLU 7 2HB GLU 7 25.568 6.645 30.149
54 HG2 GLU 7 1HG GLU 7 26.974 4.061 30.882
55 HG3 GLU 7 2HG GLU 7 26.474 5.302 32.025
56 H ILE 8 H ILE 8 27.919 6.097 27.084
57 HA ILE 8 HA ILE 8 26.868 8.499 26.139
58 HB ILE 8 HB ILE 8 28.721 6.569 24.722
59 HG12 ILE 8 1HG1 ILE 8 29.561 7.134 26.945
60 HG13 ILE 8 2HG1 ILE 8 30.535 7.923 25.713
61 HG21 ILE 8 1HG2 ILE 8 29.531 8.498 23.492
62 HG22 ILE 8 2HG2 ILE 8 28.434 9.561 24.371
63 HG23 ILE 8 3HG2 ILE 8 27.789 8.352 23.262
64 HD11 ILE 8 1HD1 ILE 8 28.374 9.198 27.415
65 HD12 ILE 8 2HD1 ILE 8 29.170 10.013 26.069
66 HD13 ILE 8 3HD1 ILE 8 30.104 9.522 27.478
67 HA PRO 9 HA PRO 9 23.633 7.096 23.315
68 HB2 PRO 9 1HB PRO 9 23.955 9.024 21.315
69 HB3 PRO 9 2HB PRO 9 22.934 9.189 22.753
70 HG2 PRO 9 1HG PRO 9 25.674 10.220 22.259
71 HG3 PRO 9 2HG PRO 9 24.320 10.967 23.129
72 HD2 PRO 9 1HD PRO 9 26.360 9.868 24.478
73 HD3 PRO 9 2HD PRO 9 24.692 9.723 25.071
74 H PHE 10 H PHE 10 23.490 5.872 21.444
75 HA PHE 10 HA PHE 10 25.730 4.382 20.783
76 HB2 PHE 10 1HB PHE 10 23.089 4.624 19.389
77 HB3 PHE 10 2HB PHE 10 24.284 3.390 19.037
78 HD1 PHE 10 HD1 PHE 10 21.815 4.619 21.466
79 HD2 PHE 10 HD2 PHE 10 24.736 1.583 20.624
80 HE1 PHE 10 HE1 PHE 10 20.899 3.228 23.304
81 HE2 PHE 10 HE2 PHE 10 23.820 0.193 22.463
82 HZ PHE 10 HZ PHE 10 21.902 1.015 23.803
83 HA PRO 11 HA PRO 11 25.446 6.481 16.363
84 HB2 PRO 11 1HB PRO 11 26.203 9.247 17.145
85 HB3 PRO 11 2HB PRO 11 25.114 8.680 15.862
86 HG2 PRO 11 1HG PRO 11 24.140 9.719 18.083
87 HG3 PRO 11 2HG PRO 11 23.365 8.314 17.322
88 HD2 PRO 11 1HD PRO 11 25.156 8.395 19.728
89 HD3 PRO 11 2HD PRO 11 23.689 7.426 19.453
90 HA PRO 12 HA PRO 12 30.108 7.889 16.907
91 HB2 PRO 12 1HB PRO 12 30.672 6.394 19.423
92 HB3 PRO 12 2HB PRO 12 31.347 7.932 18.848
93 HG2 PRO 12 1HG PRO 12 29.566 7.884 20.801
94 HG3 PRO 12 2HG PRO 12 29.526 9.153 19.560
95 HD2 PRO 12 1HD PRO 12 27.781 6.729 19.822
96 HD3 PRO 12 2HD PRO 12 27.340 8.379 19.320
97 H THR 13 H THR 13 28.694 4.845 18.081
98 HA THR 13 HA THR 13 30.624 3.074 17.049
99 HB THR 13 HB THR 13 28.835 1.399 17.050
100 HG1 THR 13 HG1 THR 13 27.203 2.757 16.207
101 HG21 THR 13 1HG2 THR 13 28.721 3.338 19.377
102 HG22 THR 13 2HG2 THR 13 29.840 1.986 19.196
103 HG23 THR 13 3HG2 THR 13 28.117 1.681 19.418
104 H SER 14 H SER 14 27.887 4.705 15.459
105 HA SER 14 HA SER 14 28.120 3.465 12.947
106 HB2 SER 14 1HB SER 14 26.277 5.018 13.632
107 HB3 SER 14 2HB SER 14 27.408 6.359 13.477
108 HG SER 14 HG SER 14 26.989 6.302 11.423
109 H ILE 15 H ILE 15 29.867 6.221 14.364
110 HA ILE 15 HA ILE 15 31.303 6.953 12.053
111 HB ILE 15 HB ILE 15 32.264 7.111 14.922
112 HG12 ILE 15 1HG1 ILE 15 30.792 9.176 13.256
113 HG13 ILE 15 2HG1 ILE 15 30.020 8.168 14.480
114 HG21 ILE 15 1HG2 ILE 15 33.016 8.712 12.457
115 HG22 ILE 15 2HG2 ILE 15 34.023 7.472 13.207
116 HG23 ILE 15 3HG2 ILE 15 33.651 8.956 14.085
117 HD11 ILE 15 1HD1 ILE 15 31.741 9.056 16.130
118 HD12 ILE 15 2HD1 ILE 15 30.560 10.236 15.560
119 HD13 ILE 15 3HD1 ILE 15 32.193 10.232 14.894
120 H LEU 16 H LEU 16 31.939 4.431 14.474
121 HA LEU 16 HA LEU 16 34.455 3.636 13.468
122 HB2 LEU 16 1HB LEU 16 32.318 2.208 15.015
123 HB3 LEU 16 2HB LEU 16 33.659 1.291 14.351
124 HG LEU 16 HG LEU 16 34.032 2.004 16.702
125 HD11 LEU 16 1HD1 LEU 16 35.872 1.736 14.900
126 HD12 LEU 16 2HD1 LEU 16 36.294 2.536 16.414
127 HD13 LEU 16 3HD1 LEU 16 35.983 3.495 14.966
128 HD21 LEU 16 1HD2 LEU 16 34.095 4.807 15.545
129 HD22 LEU 16 2HD2 LEU 16 34.470 4.362 17.209
130 HD23 LEU 16 3HD2 LEU 16 32.830 4.167 16.593
131 H LEU 17 H LEU 17 31.168 2.821 12.412
132 HA LEU 17 HA LEU 17 31.871 0.895 10.486
133 HB2 LEU 17 1HB LEU 17 29.520 1.518 11.150
134 HB3 LEU 17 2HB LEU 17 29.684 2.950 10.132
135 HG LEU 17 HG LEU 17 30.339 1.383 8.237
136 HD11 LEU 17 1HD1 LEU 17 29.262 -0.970 8.687
137 HD12 LEU 17 2HD1 LEU 17 29.549 -0.573 10.381
138 HD13 LEU 17 3HD1 LEU 17 30.901 -0.649 9.251
139 HD21 LEU 17 1HD2 LEU 17 27.981 0.763 7.779
140 HD22 LEU 17 2HD2 LEU 17 28.104 2.410 8.397
141 HD23 LEU 17 3HD2 LEU 17 27.572 1.107 9.459
142 H LEU 18 H LEU 18 31.980 4.434 10.337
143 HA LEU 18 HA LEU 18 32.634 4.683 7.608
144 HB2 LEU 18 1HB LEU 18 32.118 6.590 9.166
145 HB3 LEU 18 2HB LEU 18 33.743 6.409 9.827
146 HG LEU 18 HG LEU 18 34.620 6.639 7.458
147 HD11 LEU 18 1HD1 LEU 18 31.694 7.231 7.043
148 HD12 LEU 18 2HD1 LEU 18 32.758 6.202 6.083
149 HD13 LEU 18 3HD1 LEU 18 32.916 7.956 5.997
150 HD21 LEU 18 1HD2 LEU 18 33.034 9.002 8.512
151 HD22 LEU 18 2HD2 LEU 18 34.473 9.068 7.496
152 HD23 LEU 18 3HD2 LEU 18 34.593 8.490 9.157
153 H LEU 19 H LEU 19 34.671 3.953 10.420
154 HA LEU 19 HA LEU 19 37.151 3.865 9.079
155 HB2 LEU 19 1HB LEU 19 36.758 3.611 11.577
156 HB3 LEU 19 2HB LEU 19 36.340 1.930 11.248
157 HG LEU 19 HG LEU 19 38.583 1.792 9.998
158 HD11 LEU 19 1HD1 LEU 19 40.274 3.435 10.918
159 HD12 LEU 19 2HD1 LEU 19 38.922 4.373 11.551
160 HD13 LEU 19 3HD1 LEU 19 39.099 4.143 9.812
161 HD21 LEU 19 1HD2 LEU 19 38.389 2.180 12.997
162 HD22 LEU 19 2HD2 LEU 19 39.828 1.543 12.200
163 HD23 LEU 19 3HD2 LEU 19 38.304 0.661 12.106
164 H ALA 20 H ALA 20 34.539 1.487 9.255
165 HA ALA 20 HA ALA 20 35.796 -0.594 7.834
166 HB1 ALA 20 1HB ALA 20 33.416 -0.420 8.976
167 HB2 ALA 20 2HB ALA 20 33.706 -1.548 7.652
168 HB3 ALA 20 3HB ALA 20 32.911 -0.005 7.337
169 H CYS 21 H CYS 21 34.229 2.366 6.705
170 HA CYS 21 HA CYS 21 34.053 1.667 3.976
171 HB2 CYS 21 1HB CYS 21 34.426 4.426 5.162
172 HB3 CYS 21 2HB CYS 21 33.819 4.057 3.550
173 HG CYS 21 HG CYS 21 31.866 2.674 4.967
174 H ILE 22 H ILE 22 36.610 3.390 5.784
175 HA ILE 22 HA ILE 22 38.255 3.777 3.510
176 HB ILE 22 HB ILE 22 40.116 4.186 5.025
177 HG12 ILE 22 1HG1 ILE 22 38.311 3.596 7.353
178 HG13 ILE 22 2HG1 ILE 22 39.319 2.319 6.669
179 HG21 ILE 22 1HG2 ILE 22 38.637 6.029 4.708
180 HG22 ILE 22 2HG2 ILE 22 38.944 5.949 6.443
181 HG23 ILE 22 3HG2 ILE 22 37.426 5.334 5.786
182 HD11 ILE 22 1HD1 ILE 22 41.277 3.951 6.902
183 HD12 ILE 22 2HD1 ILE 22 40.626 3.297 8.405
184 HD13 ILE 22 3HD1 ILE 22 40.204 4.933 7.899
185 H PHE 23 H PHE 23 37.924 1.000 5.690
186 HA PHE 23 HA PHE 23 40.055 -0.516 4.678
187 HB2 PHE 23 1HB PHE 23 38.594 -1.163 6.600
188 HB3 PHE 23 2HB PHE 23 37.343 -1.589 5.448
189 HD1 PHE 23 HD1 PHE 23 40.700 -2.457 6.726
190 HD2 PHE 23 HD2 PHE 23 37.456 -3.626 4.166
191 HE1 PHE 23 HE1 PHE 23 41.693 -4.719 6.501
192 HE2 PHE 23 HE2 PHE 23 38.448 -5.887 3.940
193 HZ PHE 23 HZ PHE 23 40.566 -6.435 5.108
194 H LEU 24 H LEU 24 36.790 -0.016 3.333
195 HA LEU 24 HA LEU 24 37.017 -1.780 1.171
196 HB2 LEU 24 1HB LEU 24 35.633 0.909 1.109
197 HB3 LEU 24 2HB LEU 24 35.334 -0.457 0.043
198 HG LEU 24 HG LEU 24 34.930 -0.503 3.049
199 HD11 LEU 24 1HD1 LEU 24 32.932 -0.345 0.770
200 HD12 LEU 24 2HD1 LEU 24 33.295 0.948 1.913
201 HD13 LEU 24 3HD1 LEU 24 32.523 -0.535 2.476
202 HD21 LEU 24 1HD2 LEU 24 34.591 -2.510 0.828
203 HD22 LEU 24 2HD2 LEU 24 33.577 -2.605 2.267
204 HD23 LEU 24 3HD2 LEU 24 35.330 -2.730 2.414
205 H ILE 25 H ILE 25 38.253 1.543 1.508
206 HA ILE 25 HA ILE 25 39.304 1.798 -1.081
207 HB ILE 25 HB ILE 25 40.651 2.791 1.437
208 HG12 ILE 25 1HG1 ILE 25 38.304 3.497 1.430
209 HG13 ILE 25 2HG1 ILE 25 39.348 4.866 1.073
210 HG21 ILE 25 1HG2 ILE 25 41.384 4.611 -0.144
211 HG22 ILE 25 2HG2 ILE 25 40.746 3.631 -1.464
212 HG23 ILE 25 3HG2 ILE 25 42.075 3.023 -0.478
213 HD11 ILE 25 1HD1 ILE 25 37.242 3.673 -0.548
214 HD12 ILE 25 2HD1 ILE 25 38.749 3.788 -1.451
215 HD13 ILE 25 3HD1 ILE 25 38.041 5.230 -0.730
216 H ALA 26 H ALA 26 40.603 0.041 1.718
217 HA ALA 26 HA ALA 26 43.059 -0.718 0.603
218 HB1 ALA 26 1HB ALA 26 41.473 -2.719 2.166
219 HB2 ALA 26 2HB ALA 26 41.965 -1.221 2.956
220 HB3 ALA 26 3HB ALA 26 43.184 -2.304 2.285
221 H ILE 27 H ILE 27 39.835 -2.187 0.226
222 HA ILE 27 HA ILE 27 40.620 -4.331 -1.421
223 HB ILE 27 HB ILE 27 38.008 -2.797 -1.512
224 HG12 ILE 27 1HG1 ILE 27 38.763 -5.307 0.015
225 HG13 ILE 27 2HG1 ILE 27 38.678 -3.705 0.738
226 HG21 ILE 27 1HG2 ILE 27 38.645 -5.649 -2.329
227 HG22 ILE 27 2HG2 ILE 27 38.475 -4.312 -3.466
228 HG23 ILE 27 3HG2 ILE 27 37.095 -4.825 -2.496
229 HD11 ILE 27 1HD1 ILE 27 36.237 -4.441 -0.757
230 HD12 ILE 27 2HD1 ILE 27 36.415 -3.763 0.858
231 HD13 ILE 27 3HD1 ILE 27 36.589 -5.495 0.609
232 H LEU 28 H LEU 28 39.987 -0.930 -2.201
233 HA LEU 28 HA LEU 28 40.147 -1.143 -5.008
234 HB2 LEU 28 1HB LEU 28 39.541 0.942 -3.711
235 HB3 LEU 28 2HB LEU 28 41.264 1.160 -3.407
236 HG LEU 28 HG LEU 28 41.601 0.989 -5.928
237 HD11 LEU 28 1HD1 LEU 28 39.420 1.772 -7.132
238 HD12 LEU 28 2HD1 LEU 28 38.598 1.092 -5.727
239 HD13 LEU 28 3HD1 LEU 28 39.603 0.061 -6.746
240 HD21 LEU 28 1HD2 LEU 28 41.815 3.142 -4.937
241 HD22 LEU 28 2HD2 LEU 28 40.085 3.248 -4.609
242 HD23 LEU 28 3HD2 LEU 28 40.677 3.369 -6.265
243 H ALA 29 H ALA 29 42.695 -1.008 -2.551
244 HA ALA 29 HA ALA 29 44.917 -0.947 -4.279
245 HB1 ALA 29 1HB ALA 29 44.781 -0.912 -1.663
246 HB2 ALA 29 2HB ALA 29 46.195 -1.613 -2.451
247 HB3 ALA 29 3HB ALA 29 44.926 -2.663 -1.818
248 H ALA 30 H ALA 30 42.881 -3.641 -3.213
249 HA ALA 30 HA ALA 30 44.334 -5.739 -4.395
250 HB1 ALA 30 1HB ALA 30 42.425 -7.063 -4.091
251 HB2 ALA 30 2HB ALA 30 41.328 -5.706 -4.342
252 HB3 ALA 30 3HB ALA 30 42.257 -5.825 -2.847
253 H SER 31 H SER 31 41.869 -3.576 -5.767
254 HA SER 31 HA SER 31 41.722 -4.774 -8.306
255 HB2 SER 31 1HB SER 31 40.637 -2.840 -9.050
256 HB3 SER 31 2HB SER 31 40.301 -2.849 -7.324
257 HG SER 31 HG SER 31 41.339 -0.911 -8.645
258 H ALA 32 H ALA 32 44.072 -2.451 -7.006
259 HA ALA 32 HA ALA 32 45.504 -1.988 -9.379
260 HB1 ALA 32 1HB ALA 32 46.917 -2.311 -6.751
261 HB2 ALA 32 2HB ALA 32 45.794 -0.971 -6.986
262 HB3 ALA 32 3HB ALA 32 47.205 -1.134 -8.033
263 H LEU 33 H LEU 33 45.697 -4.640 -7.026
264 HA LEU 33 HA LEU 33 47.940 -5.950 -8.117
265 HB2 LEU 33 1HB LEU 33 46.866 -6.519 -5.936
266 HB3 LEU 33 2HB LEU 33 45.537 -7.259 -6.827
267 HG LEU 33 HG LEU 33 47.275 -8.706 -7.992
268 HD11 LEU 33 1HD1 LEU 33 49.316 -7.586 -7.630
269 HD12 LEU 33 2HD1 LEU 33 49.390 -8.936 -6.496
270 HD13 LEU 33 3HD1 LEU 33 48.972 -7.322 -5.921
271 HD21 LEU 33 1HD2 LEU 33 46.829 -8.868 -5.001
272 HD22 LEU 33 2HD2 LEU 33 47.595 -10.161 -5.924
273 HD23 LEU 33 3HD2 LEU 33 45.927 -9.697 -6.270
274 H TRP 34 H TRP 34 44.495 -6.134 -8.985
275 HA TRP 34 HA TRP 34 44.747 -8.112 -10.981
276 HB2 TRP 34 1HB TRP 34 42.822 -5.840 -10.634
277 HB3 TRP 34 2HB TRP 34 42.775 -6.849 -12.064
278 HD1 TRP 34 HD1 TRP 34 41.746 -6.714 -8.477
279 HE1 TRP 34 HE1 TRP 34 40.520 -8.889 -7.838
280 HE3 TRP 34 HE3 TRP 34 42.783 -9.552 -12.593
281 HZ2 TRP 34 HZ2 TRP 34 40.042 -11.494 -8.930
282 HZ3 TRP 34 HZ3 TRP 34 41.933 -11.870 -12.769
283 HH2 TRP 34 HH2 TRP 34 40.565 -12.846 -10.947
284 H ALA 35 H ALA 35 45.475 -4.665 -11.058
285 HA ALA 35 HA ALA 35 45.930 -4.391 -13.818
286 HB1 ALA 35 1HB ALA 35 47.733 -3.050 -11.834
287 HB2 ALA 35 2HB ALA 35 46.019 -2.633 -11.869
288 HB3 ALA 35 3HB ALA 35 47.013 -2.400 -13.307
289 H ALA 36 H ALA 36 48.054 -5.562 -11.233
290 HA ALA 36 HA ALA 36 50.325 -6.110 -12.809
291 HB1 ALA 36 1HB ALA 36 51.104 -7.367 -11.015
292 HB2 ALA 36 2HB ALA 36 49.495 -7.956 -10.597
293 HB3 ALA 36 3HB ALA 36 49.948 -6.292 -10.227
294 H ALA 37 H ALA 37 47.401 -8.028 -12.234
295 HA ALA 37 HA ALA 37 48.111 -10.350 -13.615
296 HB1 ALA 37 1HB ALA 37 45.335 -9.237 -13.811
297 HB2 ALA 37 2HB ALA 37 45.971 -9.750 -12.248
298 HB3 ALA 37 3HB ALA 37 45.855 -10.906 -13.575
299 H TRP 38 H TRP 38 47.020 -7.248 -14.871
300 HA TRP 38 HA TRP 38 46.430 -7.921 -17.490
301 HB2 TRP 38 1HB TRP 38 46.242 -5.662 -16.348
302 HB3 TRP 38 2HB TRP 38 47.940 -5.435 -16.722
303 HD1 TRP 38 HD1 TRP 38 44.501 -5.269 -18.197
304 HE1 TRP 38 HE1 TRP 38 44.639 -4.484 -20.648
305 HE3 TRP 38 HE3 TRP 38 49.544 -5.578 -18.940
306 HZ2 TRP 38 HZ2 TRP 38 46.628 -4.045 -22.661
307 HZ3 TRP 38 HZ3 TRP 38 50.531 -4.974 -21.128
308 HH2 TRP 38 HH2 TRP 38 49.084 -4.209 -22.988
309 H HIS 39 H HIS 39 49.576 -7.879 -15.976
310 HA HIS 39 HA HIS 39 51.230 -7.413 -18.173
311 HB2 HIS 39 1HB HIS 39 52.002 -7.561 -15.841
312 HB3 HIS 39 2HB HIS 39 51.710 -9.289 -15.861
313 HD1 HIS 39 HD1 HIS 39 53.735 -6.777 -17.914
314 HD2 HIS 39 HD2 HIS 39 53.999 -10.681 -16.476
315 HE1 HIS 39 HE1 HIS 39 56.018 -7.636 -18.591
316 H GLY 40 H GLY 40 49.348 -10.264 -17.411
317 HA2 GLY 40 1HA GLY 40 48.953 -12.174 -18.626
318 HA3 GLY 40 2HA GLY 40 49.706 -11.363 -19.995
319 H GLN 41 H GLN 41 49.905 -14.149 -18.968
320 HA GLN 41 HA GLN 41 52.343 -14.685 -17.719
321 HB2 GLN 41 1HB GLN 41 50.883 -16.353 -19.776
322 HB3 GLN 41 2HB GLN 41 52.132 -16.936 -18.679
323 HG2 GLN 41 1HG GLN 41 49.459 -15.762 -17.861
324 HG3 GLN 41 2HG GLN 41 49.900 -17.465 -17.800
325 HE21 GLN 41 1HE2 GLN 41 49.410 -15.045 -15.721
326 HE22 GLN 41 2HE2 GLN 41 50.622 -15.351 -14.572
327 H LYS 42 H LYS 42 51.763 -13.666 -21.006
328 HA LYS 42 HA LYS 42 53.834 -14.937 -22.339
329 HB2 LYS 42 1HB LYS 42 52.612 -12.212 -22.788
330 HB3 LYS 42 2HB LYS 42 53.745 -12.966 -23.911
331 HG2 LYS 42 1HG LYS 42 52.111 -15.015 -23.758
332 HG3 LYS 42 2HG LYS 42 50.951 -13.810 -23.197
333 HD2 LYS 42 1HD LYS 42 51.096 -12.567 -25.213
334 HD3 LYS 42 2HD LYS 42 52.571 -13.397 -25.713
335 HE2 LYS 42 1HE LYS 42 51.101 -15.549 -25.649
336 HE3 LYS 42 2HE LYS 42 49.742 -14.427 -25.705
337 HZ1 LYS 42 1HZ LYS 42 51.962 -14.615 -27.666
338 HZ2 LYS 42 2HZ LYS 42 50.749 -13.427 -27.694
339 HZ3 LYS 42 3HZ LYS 42 50.345 -15.061 -27.923
340 HA PRO 43 HA PRO 43 57.530 -13.175 -20.579
341 HB2 PRO 43 1HB PRO 43 58.717 -13.052 -23.299
342 HB3 PRO 43 2HB PRO 43 59.293 -13.890 -21.845
343 HG2 PRO 43 1HG PRO 43 58.228 -15.205 -23.905
344 HG3 PRO 43 2HG PRO 43 58.000 -15.733 -22.228
345 HD2 PRO 43 1HD PRO 43 56.068 -14.342 -24.039
346 HD3 PRO 43 2HD PRO 43 55.769 -15.573 -22.791
347 H GLY 44 H GLY 44 55.919 -11.607 -23.247
348 HA2 GLY 44 1HA GLY 44 57.559 -9.393 -23.669
349 HA3 GLY 44 2HA GLY 44 55.821 -9.413 -23.938
350 H THR 45 H THR 45 57.797 -7.429 -22.738
351 HA THR 45 HA THR 45 57.304 -7.044 -20.012
352 HB THR 45 HB THR 45 57.713 -4.888 -22.092
353 HG1 THR 45 HG1 THR 45 59.625 -6.332 -20.580
354 HG21 THR 45 1HG2 THR 45 57.137 -3.891 -20.006
355 HG22 THR 45 2HG2 THR 45 58.898 -3.830 -20.083
356 HG23 THR 45 3HG2 THR 45 58.101 -5.058 -19.100
357 H HIS 46 H HIS 46 55.214 -6.437 -22.748
358 HA HIS 46 HA HIS 46 53.194 -5.308 -20.915
359 HB2 HIS 46 1HB HIS 46 54.386 -3.518 -22.239
360 HB3 HIS 46 2HB HIS 46 53.732 -4.251 -23.689
361 HD1 HIS 46 HD1 HIS 46 52.421 -2.839 -20.394
362 HD2 HIS 46 HD2 HIS 46 51.304 -3.158 -24.398
363 HE1 HIS 46 HE1 HIS 46 50.249 -1.561 -20.635
Start of MODEL 17
1 H ARG 1 3H ARG 1 32.191 7.130 31.589
2 HA ARG 1 HA ARG 1 32.094 4.168 31.659
3 HB2 ARG 1 1HB ARG 1 31.239 6.341 33.593
4 HB3 ARG 1 2HB ARG 1 30.918 4.619 33.816
5 HG2 ARG 1 1HG ARG 1 33.379 4.193 33.687
6 HG3 ARG 1 2HG ARG 1 33.642 5.935 33.620
7 HD2 ARG 1 1HD ARG 1 32.319 4.410 35.882
8 HD3 ARG 1 2HD ARG 1 33.914 5.146 35.914
9 HE ARG 1 HE ARG 1 32.917 7.269 36.060
10 HH11 ARG 1 1HH1 ARG 1 30.435 4.803 35.693
11 HH12 ARG 1 2HH1 ARG 1 29.173 5.865 36.216
12 HH21 ARG 1 1HH2 ARG 1 31.244 8.580 36.717
13 HH22 ARG 1 2HH2 ARG 1 29.623 7.972 36.784
14 H SER 2 H SER 2 29.941 6.984 32.122
15 HA SER 2 HA SER 2 27.576 5.713 31.344
16 HB2 SER 2 1HB SER 2 27.709 7.902 32.517
17 HB3 SER 2 2HB SER 2 28.251 8.640 31.014
18 HG SER 2 HG SER 2 26.143 8.865 30.789
19 H LEU 3 H LEU 3 30.135 7.032 29.358
20 HA LEU 3 HA LEU 3 28.763 7.514 26.972
21 HB2 LEU 3 1HB LEU 3 31.573 6.447 27.311
22 HB3 LEU 3 2HB LEU 3 30.928 7.224 25.867
23 HG LEU 3 HG LEU 3 31.106 8.538 28.596
24 HD11 LEU 3 1HD1 LEU 3 33.340 8.319 27.809
25 HD12 LEU 3 2HD1 LEU 3 32.851 9.947 27.338
26 HD13 LEU 3 3HD1 LEU 3 32.867 8.651 26.142
27 HD21 LEU 3 1HD2 LEU 3 29.320 9.529 27.343
28 HD22 LEU 3 2HD2 LEU 3 30.257 9.491 25.850
29 HD23 LEU 3 3HD2 LEU 3 30.703 10.605 27.143
30 H LEU 4 H LEU 4 29.529 4.463 28.456
31 HA LEU 4 HA LEU 4 29.676 2.787 26.216
32 HB2 LEU 4 1HB LEU 4 30.222 2.133 28.553
33 HB3 LEU 4 2HB LEU 4 28.497 2.125 28.919
34 HG LEU 4 HG LEU 4 28.192 0.450 27.057
35 HD11 LEU 4 1HD1 LEU 4 30.088 0.709 25.683
36 HD12 LEU 4 2HD1 LEU 4 30.426 -0.790 26.550
37 HD13 LEU 4 3HD1 LEU 4 31.195 0.714 27.057
38 HD21 LEU 4 1HD2 LEU 4 29.233 -1.440 28.370
39 HD22 LEU 4 2HD2 LEU 4 28.256 -0.340 29.341
40 HD23 LEU 4 3HD2 LEU 4 30.016 -0.226 29.381
41 H GLU 5 H GLU 5 26.920 4.358 27.652
42 HA GLU 5 HA GLU 5 24.922 2.545 26.728
43 HB2 GLU 5 1HB GLU 5 24.631 4.178 28.594
44 HB3 GLU 5 2HB GLU 5 24.601 5.473 27.397
45 HG2 GLU 5 1HG GLU 5 22.672 4.364 26.286
46 HG3 GLU 5 2HG GLU 5 22.678 3.135 27.543
47 H GLY 6 H GLY 6 26.644 5.139 25.147
48 HA2 GLY 6 1HA GLY 6 26.696 5.675 22.902
49 HA3 GLY 6 2HA GLY 6 25.539 4.388 22.613
50 H GLU 7 H GLU 7 24.031 6.184 24.911
51 HA GLU 7 HA GLU 7 22.067 7.209 23.211
52 HB2 GLU 7 1HB GLU 7 21.823 6.828 25.665
53 HB3 GLU 7 2HB GLU 7 22.797 8.271 25.946
54 HG2 GLU 7 1HG GLU 7 21.155 9.596 24.622
55 HG3 GLU 7 2HG GLU 7 20.161 8.155 24.455
56 H ILE 8 H ILE 8 25.143 8.619 24.131
57 HA ILE 8 HA ILE 8 24.626 11.318 23.716
58 HB ILE 8 HB ILE 8 26.712 10.439 24.665
59 HG12 ILE 8 1HG1 ILE 8 27.186 12.032 22.126
60 HG13 ILE 8 2HG1 ILE 8 26.659 12.707 23.667
61 HG21 ILE 8 1HG2 ILE 8 28.402 9.396 23.264
62 HG22 ILE 8 2HG2 ILE 8 27.390 9.596 21.833
63 HG23 ILE 8 3HG2 ILE 8 26.898 8.488 23.114
64 HD11 ILE 8 1HD1 ILE 8 29.047 13.017 23.522
65 HD12 ILE 8 2HD1 ILE 8 29.290 11.324 23.090
66 HD13 ILE 8 3HD1 ILE 8 28.744 11.752 24.712
67 HA PRO 9 HA PRO 9 23.760 11.520 19.309
68 HB2 PRO 9 1HB PRO 9 25.312 14.059 19.266
69 HB3 PRO 9 2HB PRO 9 23.647 13.741 18.740
70 HG2 PRO 9 1HG PRO 9 24.141 15.067 20.979
71 HG3 PRO 9 2HG PRO 9 22.796 13.917 20.868
72 HD2 PRO 9 1HD PRO 9 25.461 13.567 22.188
73 HD3 PRO 9 2HD PRO 9 23.862 12.993 22.712
74 H PHE 10 H PHE 10 24.766 10.971 17.398
75 HA PHE 10 HA PHE 10 26.402 10.009 16.102
76 HB2 PHE 10 1HB PHE 10 26.550 12.499 15.769
77 HB3 PHE 10 2HB PHE 10 27.906 12.500 16.881
78 HD1 PHE 10 HD1 PHE 10 26.964 10.121 14.140
79 HD2 PHE 10 HD2 PHE 10 29.820 12.963 15.629
80 HE1 PHE 10 HE1 PHE 10 28.486 9.579 12.257
81 HE2 PHE 10 HE2 PHE 10 31.340 12.422 13.746
82 HZ PHE 10 HZ PHE 10 30.674 10.731 12.060
83 HA PRO 11 HA PRO 11 28.816 8.721 19.979
84 HB2 PRO 11 1HB PRO 11 28.456 5.977 19.536
85 HB3 PRO 11 2HB PRO 11 27.512 6.982 20.648
86 HG2 PRO 11 1HG PRO 11 26.861 6.090 17.897
87 HG3 PRO 11 2HG PRO 11 25.802 6.299 19.303
88 HD2 PRO 11 1HD PRO 11 25.839 8.105 17.300
89 HD3 PRO 11 2HD PRO 11 25.603 8.599 18.993
90 HA PRO 12 HA PRO 12 32.458 8.103 17.483
91 HB2 PRO 12 1HB PRO 12 33.564 6.369 19.629
92 HB3 PRO 12 2HB PRO 12 34.233 7.847 18.911
93 HG2 PRO 12 1HG PRO 12 33.193 7.822 21.365
94 HG3 PRO 12 2HG PRO 12 33.036 9.224 20.290
95 HD2 PRO 12 1HD PRO 12 30.982 7.173 21.012
96 HD3 PRO 12 2HD PRO 12 30.781 8.909 20.684
97 H THR 13 H THR 13 30.862 5.312 18.975
98 HA THR 13 HA THR 13 32.128 3.266 17.520
99 HB THR 13 HB THR 13 30.123 1.934 17.977
100 HG1 THR 13 HG1 THR 13 28.302 2.934 18.045
101 HG21 THR 13 1HG2 THR 13 30.887 3.791 20.248
102 HG22 THR 13 2HG2 THR 13 31.710 2.293 19.809
103 HG23 THR 13 3HG2 THR 13 30.062 2.243 20.436
104 H SER 14 H SER 14 29.411 5.399 16.629
105 HA SER 14 HA SER 14 28.824 4.209 14.143
106 HB2 SER 14 1HB SER 14 28.714 7.150 14.862
107 HB3 SER 14 2HB SER 14 27.881 6.375 13.520
108 HG SER 14 HG SER 14 27.569 5.488 16.185
109 H ILE 15 H ILE 15 31.238 6.648 15.074
110 HA ILE 15 HA ILE 15 32.249 7.138 12.484
111 HB ILE 15 HB ILE 15 33.821 7.155 15.075
112 HG12 ILE 15 1HG1 ILE 15 32.358 9.419 13.684
113 HG13 ILE 15 2HG1 ILE 15 31.718 8.550 15.079
114 HG21 ILE 15 1HG2 ILE 15 34.253 8.643 12.469
115 HG22 ILE 15 2HG2 ILE 15 35.168 7.221 12.973
116 HG23 ILE 15 3HG2 ILE 15 35.279 8.717 13.902
117 HD11 ILE 15 1HD1 ILE 15 32.783 10.469 15.992
118 HD12 ILE 15 2HD1 ILE 15 34.186 10.287 14.939
119 HD13 ILE 15 3HD1 ILE 15 33.920 9.147 16.258
120 H LEU 16 H LEU 16 32.908 4.505 14.763
121 HA LEU 16 HA LEU 16 35.081 3.350 13.384
122 HB2 LEU 16 1HB LEU 16 32.919 1.869 14.897
123 HB3 LEU 16 2HB LEU 16 34.527 1.271 14.508
124 HG LEU 16 HG LEU 16 33.963 3.703 16.231
125 HD11 LEU 16 1HD1 LEU 16 33.311 1.455 17.209
126 HD12 LEU 16 2HD1 LEU 16 34.550 2.324 18.115
127 HD13 LEU 16 3HD1 LEU 16 35.003 0.983 17.065
128 HD21 LEU 16 1HD2 LEU 16 36.451 3.220 16.814
129 HD22 LEU 16 2HD2 LEU 16 36.103 4.013 15.278
130 HD23 LEU 16 3HD2 LEU 16 36.468 2.288 15.317
131 H LEU 17 H LEU 17 31.579 3.082 12.848
132 HA LEU 17 HA LEU 17 31.658 1.144 10.810
133 HB2 LEU 17 1HB LEU 17 29.571 2.068 11.836
134 HB3 LEU 17 2HB LEU 17 29.813 3.541 10.896
135 HG LEU 17 HG LEU 17 29.888 2.069 8.824
136 HD11 LEU 17 1HD1 LEU 17 30.278 -0.104 9.615
137 HD12 LEU 17 2HD1 LEU 17 28.546 -0.131 9.281
138 HD13 LEU 17 3HD1 LEU 17 29.122 0.066 10.936
139 HD21 LEU 17 1HD2 LEU 17 27.514 2.074 8.601
140 HD22 LEU 17 2HD2 LEU 17 27.877 3.398 9.709
141 HD23 LEU 17 3HD2 LEU 17 27.277 1.863 10.336
142 H LEU 18 H LEU 18 32.269 4.637 10.687
143 HA LEU 18 HA LEU 18 32.584 4.860 7.891
144 HB2 LEU 18 1HB LEU 18 32.556 6.777 9.538
145 HB3 LEU 18 2HB LEU 18 34.231 6.375 9.918
146 HG LEU 18 HG LEU 18 34.718 6.542 7.430
147 HD11 LEU 18 1HD1 LEU 18 32.588 6.394 6.418
148 HD12 LEU 18 2HD1 LEU 18 33.000 8.103 6.275
149 HD13 LEU 18 3HD1 LEU 18 31.882 7.566 7.530
150 HD21 LEU 18 1HD2 LEU 18 34.587 9.103 7.492
151 HD22 LEU 18 2HD2 LEU 18 35.451 8.336 8.824
152 HD23 LEU 18 3HD2 LEU 18 33.804 8.920 9.062
153 H LEU 19 H LEU 19 34.841 3.753 10.392
154 HA LEU 19 HA LEU 19 37.109 3.472 8.741
155 HB2 LEU 19 1HB LEU 19 36.356 1.600 10.994
156 HB3 LEU 19 2HB LEU 19 37.960 1.874 10.329
157 HG LEU 19 HG LEU 19 36.280 4.002 11.684
158 HD11 LEU 19 1HD1 LEU 19 38.824 2.792 12.755
159 HD12 LEU 19 2HD1 LEU 19 37.266 2.032 13.079
160 HD13 LEU 19 3HD1 LEU 19 37.572 3.681 13.624
161 HD21 LEU 19 1HD2 LEU 19 37.729 5.150 10.236
162 HD22 LEU 19 2HD2 LEU 19 39.002 3.940 10.396
163 HD23 LEU 19 3HD2 LEU 19 38.681 5.061 11.718
164 H ALA 20 H ALA 20 34.279 1.401 9.127
165 HA ALA 20 HA ALA 20 35.158 -0.786 7.587
166 HB1 ALA 20 1HB ALA 20 32.939 -1.462 7.518
167 HB2 ALA 20 2HB ALA 20 32.332 0.188 7.373
168 HB3 ALA 20 3HB ALA 20 32.931 -0.398 8.925
169 H CYS 21 H CYS 21 33.729 2.311 6.614
170 HA CYS 21 HA CYS 21 33.562 1.796 3.846
171 HB2 CYS 21 1HB CYS 21 34.243 4.452 5.129
172 HB3 CYS 21 2HB CYS 21 33.552 4.196 3.530
173 HG CYS 21 HG CYS 21 31.571 4.695 5.167
174 H ILE 22 H ILE 22 36.276 2.911 5.843
175 HA ILE 22 HA ILE 22 38.114 3.333 3.744
176 HB ILE 22 HB ILE 22 38.715 2.352 6.548
177 HG12 ILE 22 1HG1 ILE 22 38.616 5.165 5.414
178 HG13 ILE 22 2HG1 ILE 22 37.373 4.460 6.439
179 HG21 ILE 22 1HG2 ILE 22 40.581 2.131 4.889
180 HG22 ILE 22 2HG2 ILE 22 40.927 3.297 6.166
181 HG23 ILE 22 3HG2 ILE 22 40.446 3.860 4.565
182 HD11 ILE 22 1HD1 ILE 22 40.007 4.176 7.672
183 HD12 ILE 22 2HD1 ILE 22 38.547 4.934 8.301
184 HD13 ILE 22 3HD1 ILE 22 39.649 5.858 7.287
185 H PHE 23 H PHE 23 37.129 0.346 5.403
186 HA PHE 23 HA PHE 23 39.044 -1.356 4.253
187 HB2 PHE 23 1HB PHE 23 37.376 -2.013 6.001
188 HB3 PHE 23 2HB PHE 23 36.153 -2.060 4.746
189 HD1 PHE 23 HD1 PHE 23 39.257 -3.634 6.002
190 HD2 PHE 23 HD2 PHE 23 36.015 -3.895 3.196
191 HE1 PHE 23 HE1 PHE 23 39.897 -5.973 5.480
192 HE2 PHE 23 HE2 PHE 23 36.655 -6.232 2.674
193 HZ PHE 23 HZ PHE 23 38.595 -7.272 3.816
194 H LEU 24 H LEU 24 35.970 -0.159 2.917
195 HA LEU 24 HA LEU 24 36.017 -1.689 0.568
196 HB2 LEU 24 1HB LEU 24 34.763 0.947 1.245
197 HB3 LEU 24 2HB LEU 24 34.687 0.315 -0.397
198 HG LEU 24 HG LEU 24 33.800 -1.848 0.599
199 HD11 LEU 24 1HD1 LEU 24 32.621 -1.285 2.894
200 HD12 LEU 24 2HD1 LEU 24 33.923 -0.103 3.034
201 HD13 LEU 24 3HD1 LEU 24 34.302 -1.815 2.870
202 HD21 LEU 24 1HD2 LEU 24 32.299 0.769 0.794
203 HD22 LEU 24 2HD2 LEU 24 31.506 -0.782 1.071
204 HD23 LEU 24 3HD2 LEU 24 32.233 -0.431 -0.497
205 H ILE 25 H ILE 25 37.521 1.549 1.109
206 HA ILE 25 HA ILE 25 38.528 1.689 -1.522
207 HB ILE 25 HB ILE 25 40.088 3.355 -0.832
208 HG12 ILE 25 1HG1 ILE 25 39.341 3.076 2.058
209 HG13 ILE 25 2HG1 ILE 25 40.602 2.024 1.413
210 HG21 ILE 25 1HG2 ILE 25 38.510 4.905 0.310
211 HG22 ILE 25 2HG2 ILE 25 37.450 3.535 0.641
212 HG23 ILE 25 3HG2 ILE 25 37.763 4.025 -1.023
213 HD11 ILE 25 1HD1 ILE 25 41.482 4.162 2.383
214 HD12 ILE 25 2HD1 ILE 25 40.592 5.043 1.141
215 HD13 ILE 25 3HD1 ILE 25 41.895 3.946 0.682
216 H ALA 26 H ALA 26 39.720 -0.103 1.247
217 HA ALA 26 HA ALA 26 42.248 -0.764 0.243
218 HB1 ALA 26 1HB ALA 26 42.339 -2.361 1.906
219 HB2 ALA 26 2HB ALA 26 40.649 -2.823 1.705
220 HB3 ALA 26 3HB ALA 26 41.061 -1.319 2.529
221 H ILE 27 H ILE 27 39.126 -2.492 -0.252
222 HA ILE 27 HA ILE 27 40.265 -4.489 -1.885
223 HB ILE 27 HB ILE 27 38.025 -4.726 -0.904
224 HG12 ILE 27 1HG1 ILE 27 37.925 -4.938 -3.916
225 HG13 ILE 27 2HG1 ILE 27 38.908 -6.009 -2.917
226 HG21 ILE 27 1HG2 ILE 27 36.178 -3.698 -2.520
227 HG22 ILE 27 2HG2 ILE 27 37.407 -2.461 -2.752
228 HG23 ILE 27 3HG2 ILE 27 36.793 -2.804 -1.136
229 HD11 ILE 27 1HD1 ILE 27 36.854 -6.625 -1.633
230 HD12 ILE 27 2HD1 ILE 27 36.759 -7.075 -3.335
231 HD13 ILE 27 3HD1 ILE 27 35.903 -5.648 -2.752
232 H LEU 28 H LEU 28 39.202 -1.218 -2.676
233 HA LEU 28 HA LEU 28 39.452 -1.415 -5.481
234 HB2 LEU 28 1HB LEU 28 38.605 0.598 -4.247
235 HB3 LEU 28 2HB LEU 28 40.272 0.966 -3.806
236 HG LEU 28 HG LEU 28 40.813 0.870 -6.298
237 HD11 LEU 28 1HD1 LEU 28 38.731 1.425 -7.706
238 HD12 LEU 28 2HD1 LEU 28 37.793 0.796 -6.352
239 HD13 LEU 28 3HD1 LEU 28 38.924 -0.255 -7.203
240 HD21 LEU 28 1HD2 LEU 28 38.938 2.973 -5.179
241 HD22 LEU 28 2HD2 LEU 28 39.835 3.167 -6.685
242 HD23 LEU 28 3HD2 LEU 28 40.702 3.001 -5.157
243 H ALA 29 H ALA 29 41.910 -1.007 -2.963
244 HA ALA 29 HA ALA 29 44.170 -0.787 -4.619
245 HB1 ALA 29 1HB ALA 29 45.435 -1.293 -2.735
246 HB2 ALA 29 2HB ALA 29 44.252 -2.451 -2.126
247 HB3 ALA 29 3HB ALA 29 43.933 -0.720 -2.008
248 H ALA 30 H ALA 30 42.323 -3.625 -3.595
249 HA ALA 30 HA ALA 30 43.991 -5.622 -4.662
250 HB1 ALA 30 1HB ALA 30 41.763 -5.783 -3.274
251 HB2 ALA 30 2HB ALA 30 42.206 -7.078 -4.386
252 HB3 ALA 30 3HB ALA 30 41.013 -5.872 -4.867
253 H SER 31 H SER 31 41.485 -3.636 -6.218
254 HA SER 31 HA SER 31 41.591 -4.788 -8.775
255 HB2 SER 31 1HB SER 31 41.290 -1.833 -8.202
256 HB3 SER 31 2HB SER 31 40.721 -2.706 -9.619
257 HG SER 31 HG SER 31 39.890 -3.068 -6.923
258 H ALA 32 H ALA 32 43.716 -2.363 -7.274
259 HA ALA 32 HA ALA 32 45.356 -1.853 -9.501
260 HB1 ALA 32 1HB ALA 32 46.913 -0.953 -7.990
261 HB2 ALA 32 2HB ALA 32 46.455 -2.073 -6.708
262 HB3 ALA 32 3HB ALA 32 45.371 -0.756 -7.156
263 H LEU 33 H LEU 33 45.432 -4.482 -7.120
264 HA LEU 33 HA LEU 33 47.828 -5.698 -7.969
265 HB2 LEU 33 1HB LEU 33 46.533 -6.325 -5.913
266 HB3 LEU 33 2HB LEU 33 45.377 -7.151 -6.958
267 HG LEU 33 HG LEU 33 47.350 -8.444 -7.916
268 HD11 LEU 33 1HD1 LEU 33 49.260 -8.558 -6.146
269 HD12 LEU 33 2HD1 LEU 33 48.660 -6.982 -5.630
270 HD13 LEU 33 3HD1 LEU 33 49.246 -7.206 -7.278
271 HD21 LEU 33 1HD2 LEU 33 45.825 -9.512 -6.362
272 HD22 LEU 33 2HD2 LEU 33 46.602 -8.721 -4.990
273 HD23 LEU 33 3HD2 LEU 33 47.469 -9.956 -5.902
274 H TRP 34 H TRP 34 44.522 -5.952 -9.243
275 HA TRP 34 HA TRP 34 45.003 -7.952 -11.172
276 HB2 TRP 34 1HB TRP 34 42.773 -6.942 -10.611
277 HB3 TRP 34 2HB TRP 34 43.237 -5.537 -11.549
278 HD1 TRP 34 HD1 TRP 34 43.057 -9.365 -12.126
279 HE1 TRP 34 HE1 TRP 34 42.127 -9.765 -14.495
280 HE3 TRP 34 HE3 TRP 34 42.529 -4.534 -13.692
281 HZ2 TRP 34 HZ2 TRP 34 41.270 -8.235 -16.761
282 HZ3 TRP 34 HZ3 TRP 34 41.656 -4.034 -15.953
283 HH2 TRP 34 HH2 TRP 34 41.026 -5.873 -17.490
284 H ALA 35 H ALA 35 45.724 -4.492 -11.215
285 HA ALA 35 HA ALA 35 46.678 -4.301 -13.858
286 HB1 ALA 35 1HB ALA 35 47.673 -2.295 -13.216
287 HB2 ALA 35 2HB ALA 35 48.072 -2.890 -11.605
288 HB3 ALA 35 3HB ALA 35 46.405 -2.473 -12.003
289 H ALA 36 H ALA 36 48.289 -5.360 -10.888
290 HA ALA 36 HA ALA 36 50.805 -5.983 -11.981
291 HB1 ALA 36 1HB ALA 36 51.231 -7.092 -10.001
292 HB2 ALA 36 2HB ALA 36 49.600 -7.751 -9.894
293 HB3 ALA 36 3HB ALA 36 49.892 -6.055 -9.509
294 H ALA 37 H ALA 37 47.791 -7.832 -11.972
295 HA ALA 37 HA ALA 37 48.740 -10.259 -12.975
296 HB1 ALA 37 1HB ALA 37 46.521 -10.784 -13.451
297 HB2 ALA 37 2HB ALA 37 46.113 -9.121 -13.873
298 HB3 ALA 37 3HB ALA 37 46.364 -9.566 -12.185
299 H TRP 38 H TRP 38 48.000 -7.262 -14.685
300 HA TRP 38 HA TRP 38 48.124 -8.134 -17.314
301 HB2 TRP 38 1HB TRP 38 47.575 -5.839 -16.624
302 HB3 TRP 38 2HB TRP 38 49.254 -5.570 -16.195
303 HD1 TRP 38 HD1 TRP 38 46.923 -5.926 -19.181
304 HE1 TRP 38 HE1 TRP 38 48.137 -5.088 -21.293
305 HE3 TRP 38 HE3 TRP 38 51.617 -5.247 -17.288
306 HZ2 TRP 38 HZ2 TRP 38 50.757 -4.240 -22.079
307 HZ3 TRP 38 HZ3 TRP 38 53.449 -4.425 -18.736
308 HH2 TRP 38 HH2 TRP 38 53.029 -3.920 -21.125
309 H HIS 39 H HIS 39 50.760 -7.853 -15.040
310 HA HIS 39 HA HIS 39 52.947 -7.644 -16.755
311 HB2 HIS 39 1HB HIS 39 53.082 -7.459 -14.318
312 HB3 HIS 39 2HB HIS 39 52.738 -9.170 -14.162
313 HD1 HIS 39 HD1 HIS 39 54.662 -10.814 -14.601
314 HD2 HIS 39 HD2 HIS 39 55.721 -6.836 -15.256
315 HE1 HIS 39 HE1 HIS 39 57.179 -10.778 -14.855
316 H GLY 40 H GLY 40 50.854 -10.383 -16.239
317 HA2 GLY 40 1HA GLY 40 52.579 -12.516 -16.704
318 HA3 GLY 40 2HA GLY 40 50.864 -12.516 -17.088
319 H GLN 41 H GLN 41 51.293 -10.206 -19.011
320 HA GLN 41 HA GLN 41 51.488 -11.675 -21.380
321 HB2 GLN 41 1HB GLN 41 52.097 -8.737 -20.981
322 HB3 GLN 41 2HB GLN 41 51.701 -9.516 -22.511
323 HG2 GLN 41 1HG GLN 41 49.886 -9.348 -20.088
324 HG3 GLN 41 2HG GLN 41 49.724 -8.399 -21.562
325 HE21 GLN 41 1HE2 GLN 41 48.196 -10.848 -20.131
326 HE22 GLN 41 2HE2 GLN 41 47.802 -11.818 -21.467
327 H LYS 42 H LYS 42 53.124 -12.042 -22.853
328 HA LYS 42 HA LYS 42 55.693 -12.528 -21.898
329 HB2 LYS 42 1HB LYS 42 54.520 -12.269 -24.647
330 HB3 LYS 42 2HB LYS 42 56.264 -12.450 -24.455
331 HG2 LYS 42 1HG LYS 42 55.592 -14.429 -22.854
332 HG3 LYS 42 2HG LYS 42 54.073 -14.379 -23.752
333 HD2 LYS 42 1HD LYS 42 55.086 -14.970 -25.767
334 HD3 LYS 42 2HD LYS 42 56.669 -14.384 -25.259
335 HE2 LYS 42 1HE LYS 42 55.349 -16.727 -23.891
336 HE3 LYS 42 2HE LYS 42 56.335 -16.940 -25.339
337 HZ1 LYS 42 1HZ LYS 42 57.340 -16.963 -22.891
338 HZ2 LYS 42 2HZ LYS 42 57.474 -15.302 -23.222
339 HZ3 LYS 42 3HZ LYS 42 58.222 -16.438 -24.241
340 HA PRO 43 HA PRO 43 57.609 -8.531 -21.759
341 HB2 PRO 43 1HB PRO 43 60.153 -9.112 -22.744
342 HB3 PRO 43 2HB PRO 43 59.633 -9.323 -21.062
343 HG2 PRO 43 1HG PRO 43 59.866 -11.333 -23.231
344 HG3 PRO 43 2HG PRO 43 60.208 -11.488 -21.499
345 HD2 PRO 43 1HD PRO 43 57.953 -12.503 -22.583
346 HD3 PRO 43 2HD PRO 43 57.976 -11.825 -20.939
347 H GLY 44 H GLY 44 57.946 -6.766 -23.107
348 HA2 GLY 44 1HA GLY 44 56.910 -6.838 -25.698
349 HA3 GLY 44 2HA GLY 44 57.889 -5.528 -25.046
350 H THR 45 H THR 45 57.810 -6.884 -27.734
351 HA THR 45 HA THR 45 60.087 -8.444 -28.185
352 HB THR 45 HB THR 45 58.897 -6.400 -30.074
353 HG1 THR 45 HG1 THR 45 57.345 -7.790 -30.414
354 HG21 THR 45 1HG2 THR 45 60.740 -8.756 -30.353
355 HG22 THR 45 2HG2 THR 45 60.864 -7.155 -31.083
356 HG23 THR 45 3HG2 THR 45 59.678 -8.311 -31.690
357 H HIS 46 H HIS 46 62.202 -7.978 -28.718
358 HA HIS 46 HA HIS 46 63.064 -5.160 -28.573
359 HB2 HIS 46 1HB HIS 46 63.391 -6.251 -26.360
360 HB3 HIS 46 2HB HIS 46 64.410 -7.449 -27.133
361 HD1 HIS 46 HD1 HIS 46 66.803 -6.746 -27.769
362 HD2 HIS 46 HD2 HIS 46 64.563 -3.651 -26.102
363 HE1 HIS 46 HE1 HIS 46 68.432 -4.875 -27.267
Start of MODEL 18
1 H ARG 1 3H ARG 1 26.300 12.763 5.730
2 HA ARG 1 HA ARG 1 27.357 12.011 3.546
3 HB2 ARG 1 1HB ARG 1 28.035 9.669 5.351
4 HB3 ARG 1 2HB ARG 1 28.287 9.753 3.609
5 HG2 ARG 1 1HG ARG 1 29.580 11.630 5.607
6 HG3 ARG 1 2HG ARG 1 30.367 10.203 4.934
7 HD2 ARG 1 1HD ARG 1 30.000 11.143 2.643
8 HD3 ARG 1 2HD ARG 1 29.360 12.605 3.386
9 HE ARG 1 HE ARG 1 31.929 11.979 4.445
10 HH11 ARG 1 1HH1 ARG 1 30.408 13.330 1.583
11 HH12 ARG 1 2HH1 ARG 1 31.801 14.272 1.166
12 HH21 ARG 1 1HH2 ARG 1 33.691 13.215 3.857
13 HH22 ARG 1 2HH2 ARG 1 33.635 14.207 2.438
14 H SER 2 H SER 2 26.281 9.997 2.507
15 HA SER 2 HA SER 2 23.520 10.167 2.910
16 HB2 SER 2 1HB SER 2 23.318 8.408 1.320
17 HB3 SER 2 2HB SER 2 24.758 9.309 0.857
18 HG SER 2 HG SER 2 25.887 7.578 1.236
19 H LEU 3 H LEU 3 22.020 8.860 3.908
20 HA LEU 3 HA LEU 3 22.665 7.703 6.368
21 HB2 LEU 3 1HB LEU 3 20.254 7.127 4.635
22 HB3 LEU 3 2HB LEU 3 20.385 6.823 6.366
23 HG LEU 3 HG LEU 3 20.612 9.553 5.062
24 HD11 LEU 3 1HD1 LEU 3 18.396 9.967 5.731
25 HD12 LEU 3 2HD1 LEU 3 18.388 8.617 6.865
26 HD13 LEU 3 3HD1 LEU 3 18.319 8.311 5.130
27 HD21 LEU 3 1HD2 LEU 3 20.206 10.163 7.585
28 HD22 LEU 3 2HD2 LEU 3 21.829 9.716 7.060
29 HD23 LEU 3 3HD2 LEU 3 20.814 8.536 7.889
30 H LEU 4 H LEU 4 22.835 6.296 3.188
31 HA LEU 4 HA LEU 4 22.419 3.585 3.787
32 HB2 LEU 4 1HB LEU 4 24.278 4.780 1.721
33 HB3 LEU 4 2HB LEU 4 23.671 3.126 1.735
34 HG LEU 4 HG LEU 4 21.926 5.601 1.576
35 HD11 LEU 4 1HD1 LEU 4 23.107 5.417 -0.499
36 HD12 LEU 4 2HD1 LEU 4 21.520 4.698 -0.776
37 HD13 LEU 4 3HD1 LEU 4 22.926 3.663 -0.523
38 HD21 LEU 4 1HD2 LEU 4 21.397 2.629 1.568
39 HD22 LEU 4 2HD2 LEU 4 20.267 3.754 0.816
40 HD23 LEU 4 3HD2 LEU 4 20.620 3.880 2.539
41 H GLU 5 H GLU 5 25.155 5.637 4.475
42 HA GLU 5 HA GLU 5 27.112 3.565 4.657
43 HB2 GLU 5 1HB GLU 5 27.060 6.341 5.849
44 HB3 GLU 5 2HB GLU 5 28.464 5.273 5.853
45 HG2 GLU 5 1HG GLU 5 28.341 5.157 3.367
46 HG3 GLU 5 2HG GLU 5 27.014 6.309 3.403
47 H GLY 6 H GLY 6 24.671 4.673 6.880
48 HA2 GLY 6 1HA GLY 6 23.993 3.710 8.871
49 HA3 GLY 6 2HA GLY 6 25.288 2.538 8.704
50 H GLU 7 H GLU 7 26.991 5.267 8.421
51 HA GLU 7 HA GLU 7 28.137 5.250 10.969
52 HB2 GLU 7 1HB GLU 7 29.160 6.191 8.903
53 HB3 GLU 7 2HB GLU 7 28.060 7.562 9.024
54 HG2 GLU 7 1HG GLU 7 28.966 8.039 11.300
55 HG3 GLU 7 2HG GLU 7 30.123 6.733 11.084
56 H ILE 8 H ILE 8 25.162 6.737 9.968
57 HA ILE 8 HA ILE 8 25.387 9.181 11.239
58 HB ILE 8 HB ILE 8 22.901 9.302 11.129
59 HG12 ILE 8 1HG1 ILE 8 21.986 7.395 9.569
60 HG13 ILE 8 2HG1 ILE 8 23.273 6.434 10.271
61 HG21 ILE 8 1HG2 ILE 8 24.674 9.772 9.283
62 HG22 ILE 8 2HG2 ILE 8 22.976 9.668 8.820
63 HG23 ILE 8 3HG2 ILE 8 24.052 8.299 8.539
64 HD11 ILE 8 1HD1 ILE 8 22.032 7.689 12.476
65 HD12 ILE 8 2HD1 ILE 8 21.865 6.008 11.983
66 HD13 ILE 8 3HD1 ILE 8 20.718 7.210 11.406
67 HA PRO 9 HA PRO 9 23.172 7.424 15.207
68 HB2 PRO 9 1HB PRO 9 25.062 5.178 15.719
69 HB3 PRO 9 2HB PRO 9 23.326 5.297 16.069
70 HG2 PRO 9 1HG PRO 9 24.194 3.802 14.077
71 HG3 PRO 9 2HG PRO 9 22.723 4.782 13.901
72 HD2 PRO 9 1HD PRO 9 25.483 5.342 12.859
73 HD3 PRO 9 2HD PRO 9 23.915 5.569 12.055
74 H PHE 10 H PHE 10 23.866 8.415 17.055
75 HA PHE 10 HA PHE 10 26.111 10.043 16.936
76 HB2 PHE 10 1HB PHE 10 24.581 9.220 19.386
77 HB3 PHE 10 2HB PHE 10 25.604 10.635 19.225
78 HD1 PHE 10 HD1 PHE 10 24.911 12.516 17.745
79 HD2 PHE 10 HD2 PHE 10 22.350 9.155 18.514
80 HE1 PHE 10 HE1 PHE 10 22.968 13.804 16.899
81 HE2 PHE 10 HE2 PHE 10 20.406 10.442 17.670
82 HZ PHE 10 HZ PHE 10 20.715 12.767 16.861
83 HA PRO 11 HA PRO 11 28.203 7.089 20.243
84 HB2 PRO 11 1HB PRO 11 28.054 4.597 18.599
85 HB3 PRO 11 2HB PRO 11 28.078 4.788 20.364
86 HG2 PRO 11 1HG PRO 11 25.826 4.245 19.082
87 HG3 PRO 11 2HG PRO 11 25.852 5.348 20.471
88 HD2 PRO 11 1HD PRO 11 25.580 5.993 17.573
89 HD3 PRO 11 2HD PRO 11 24.890 6.820 18.982
90 HA PRO 12 HA PRO 12 31.841 7.774 17.629
91 HB2 PRO 12 1HB PRO 12 33.751 6.535 19.224
92 HB3 PRO 12 2HB PRO 12 33.208 8.212 19.410
93 HG2 PRO 12 1HG PRO 12 32.394 5.788 20.918
94 HG3 PRO 12 2HG PRO 12 32.654 7.446 21.491
95 HD2 PRO 12 1HD PRO 12 30.167 6.467 21.108
96 HD3 PRO 12 2HD PRO 12 30.558 8.172 20.792
97 H THR 13 H THR 13 31.036 4.601 18.982
98 HA THR 13 HA THR 13 32.669 3.003 17.346
99 HB THR 13 HB THR 13 31.063 1.208 17.785
100 HG1 THR 13 HG1 THR 13 29.455 3.221 18.955
101 HG21 THR 13 1HG2 THR 13 32.608 1.846 19.583
102 HG22 THR 13 2HG2 THR 13 31.057 1.344 20.255
103 HG23 THR 13 3HG2 THR 13 31.461 3.057 20.153
104 H SER 14 H SER 14 29.538 4.555 16.671
105 HA SER 14 HA SER 14 29.053 3.343 14.171
106 HB2 SER 14 1HB SER 14 28.440 6.217 14.879
107 HB3 SER 14 2HB SER 14 27.588 5.182 13.738
108 HG SER 14 HG SER 14 27.104 3.821 15.572
109 H ILE 15 H ILE 15 30.973 6.201 15.082
110 HA ILE 15 HA ILE 15 31.776 6.919 12.472
111 HB ILE 15 HB ILE 15 33.392 7.193 15.020
112 HG12 ILE 15 1HG1 ILE 15 31.494 9.161 13.705
113 HG13 ILE 15 2HG1 ILE 15 31.067 8.167 15.099
114 HG21 ILE 15 1HG2 ILE 15 33.473 8.762 12.425
115 HG22 ILE 15 2HG2 ILE 15 34.661 7.549 12.904
116 HG23 ILE 15 3HG2 ILE 15 34.490 9.033 13.841
117 HD11 ILE 15 1HD1 ILE 15 33.244 10.268 14.953
118 HD12 ILE 15 2HD1 ILE 15 33.051 9.153 16.306
119 HD13 ILE 15 3HD1 ILE 15 31.778 10.317 15.933
120 H LEU 16 H LEU 16 33.043 4.457 14.690
121 HA LEU 16 HA LEU 16 35.310 3.742 13.169
122 HB2 LEU 16 1HB LEU 16 33.605 1.863 14.817
123 HB3 LEU 16 2HB LEU 16 35.271 1.609 14.314
124 HG LEU 16 HG LEU 16 34.342 3.893 16.079
125 HD11 LEU 16 1HD1 LEU 16 34.262 1.499 17.032
126 HD12 LEU 16 2HD1 LEU 16 35.212 2.683 17.930
127 HD13 LEU 16 3HD1 LEU 16 36.020 1.513 16.887
128 HD21 LEU 16 1HD2 LEU 16 36.864 4.027 16.485
129 HD22 LEU 16 2HD2 LEU 16 36.320 4.545 14.889
130 HD23 LEU 16 3HD2 LEU 16 37.050 2.952 15.099
131 H LEU 17 H LEU 17 31.902 2.824 12.826
132 HA LEU 17 HA LEU 17 32.231 0.869 10.833
133 HB2 LEU 17 1HB LEU 17 30.059 1.432 11.947
134 HB3 LEU 17 2HB LEU 17 29.983 2.889 10.956
135 HG LEU 17 HG LEU 17 30.230 1.386 8.923
136 HD11 LEU 17 1HD1 LEU 17 29.922 -0.659 11.115
137 HD12 LEU 17 2HD1 LEU 17 31.071 -0.640 9.777
138 HD13 LEU 17 3HD1 LEU 17 29.372 -1.007 9.476
139 HD21 LEU 17 1HD2 LEU 17 28.060 2.343 9.620
140 HD22 LEU 17 2HD2 LEU 17 27.807 0.977 10.707
141 HD23 LEU 17 3HD2 LEU 17 27.849 0.720 8.963
142 H LEU 18 H LEU 18 32.187 4.411 10.594
143 HA LEU 18 HA LEU 18 32.359 4.592 7.784
144 HB2 LEU 18 1HB LEU 18 32.052 6.536 9.338
145 HB3 LEU 18 2HB LEU 18 33.764 6.417 9.739
146 HG LEU 18 HG LEU 18 34.259 6.602 7.264
147 HD11 LEU 18 1HD1 LEU 18 31.281 7.004 7.279
148 HD12 LEU 18 2HD1 LEU 18 32.274 6.085 6.148
149 HD13 LEU 18 3HD1 LEU 18 32.265 7.847 6.082
150 HD21 LEU 18 1HD2 LEU 18 32.738 8.978 8.359
151 HD22 LEU 18 2HD2 LEU 18 34.140 8.992 7.288
152 HD23 LEU 18 3HD2 LEU 18 34.322 8.504 8.973
153 H LEU 19 H LEU 19 34.865 3.998 10.225
154 HA LEU 19 HA LEU 19 37.079 3.950 8.478
155 HB2 LEU 19 1HB LEU 19 37.104 3.720 11.034
156 HB3 LEU 19 2HB LEU 19 36.776 2.008 10.762
157 HG LEU 19 HG LEU 19 38.774 2.001 9.183
158 HD11 LEU 19 1HD1 LEU 19 40.445 3.864 9.841
159 HD12 LEU 19 2HD1 LEU 19 39.031 4.734 10.439
160 HD13 LEU 19 3HD1 LEU 19 39.139 4.295 8.735
161 HD21 LEU 19 1HD2 LEU 19 40.314 1.621 10.978
162 HD22 LEU 19 2HD2 LEU 19 38.724 1.185 11.605
163 HD23 LEU 19 3HD2 LEU 19 39.452 2.731 12.042
164 H ALA 20 H ALA 20 34.585 1.529 9.102
165 HA ALA 20 HA ALA 20 35.680 -0.592 7.609
166 HB1 ALA 20 1HB ALA 20 33.590 -1.572 7.727
167 HB2 ALA 20 2HB ALA 20 32.744 -0.043 7.488
168 HB3 ALA 20 3HB ALA 20 33.474 -0.413 9.050
169 H CYS 21 H CYS 21 33.802 2.243 6.588
170 HA CYS 21 HA CYS 21 33.571 1.569 3.860
171 HB2 CYS 21 1HB CYS 21 33.973 4.357 4.967
172 HB3 CYS 21 2HB CYS 21 33.230 3.922 3.431
173 HG CYS 21 HG CYS 21 31.110 3.842 4.707
174 H ILE 22 H ILE 22 36.214 3.118 5.660
175 HA ILE 22 HA ILE 22 37.889 3.649 3.454
176 HB ILE 22 HB ILE 22 38.785 2.823 6.221
177 HG12 ILE 22 1HG1 ILE 22 37.208 4.686 6.392
178 HG13 ILE 22 2HG1 ILE 22 38.842 5.256 6.698
179 HG21 ILE 22 1HG2 ILE 22 40.126 4.520 4.103
180 HG22 ILE 22 2HG2 ILE 22 40.539 2.846 4.473
181 HG23 ILE 22 3HG2 ILE 22 40.792 4.103 5.682
182 HD11 ILE 22 1HD1 ILE 22 38.531 5.589 3.933
183 HD12 ILE 22 2HD1 ILE 22 38.431 6.851 5.158
184 HD13 ILE 22 3HD1 ILE 22 36.967 6.042 4.608
185 H PHE 23 H PHE 23 37.373 0.660 5.315
186 HA PHE 23 HA PHE 23 39.365 -0.888 4.083
187 HB2 PHE 23 1HB PHE 23 37.881 -1.613 5.990
188 HB3 PHE 23 2HB PHE 23 36.624 -1.909 4.804
189 HD1 PHE 23 HD1 PHE 23 39.957 -2.969 5.999
190 HD2 PHE 23 HD2 PHE 23 36.676 -3.834 3.364
191 HE1 PHE 23 HE1 PHE 23 40.887 -5.230 5.584
192 HE2 PHE 23 HE2 PHE 23 37.606 -6.095 2.950
193 HZ PHE 23 HZ PHE 23 39.711 -6.793 4.058
194 H LEU 24 H LEU 24 36.105 -0.038 2.922
195 HA LEU 24 HA LEU 24 36.120 -1.586 0.589
196 HB2 LEU 24 1HB LEU 24 34.192 -0.202 1.436
197 HB3 LEU 24 2HB LEU 24 35.003 1.216 0.771
198 HG LEU 24 HG LEU 24 35.092 -0.030 -1.449
199 HD11 LEU 24 1HD1 LEU 24 33.164 -1.764 -1.570
200 HD12 LEU 24 2HD1 LEU 24 33.338 -1.862 0.182
201 HD13 LEU 24 3HD1 LEU 24 34.695 -2.281 -0.863
202 HD21 LEU 24 1HD2 LEU 24 33.340 1.734 -0.602
203 HD22 LEU 24 2HD2 LEU 24 32.243 0.353 -0.563
204 HD23 LEU 24 3HD2 LEU 24 33.007 0.831 -2.080
205 H ILE 25 H ILE 25 37.604 1.604 1.187
206 HA ILE 25 HA ILE 25 38.649 1.982 -1.395
207 HB ILE 25 HB ILE 25 40.036 2.745 1.186
208 HG12 ILE 25 1HG1 ILE 25 38.087 4.340 -0.507
209 HG13 ILE 25 2HG1 ILE 25 37.646 3.539 1.001
210 HG21 ILE 25 1HG2 ILE 25 40.164 3.964 -1.583
211 HG22 ILE 25 2HG2 ILE 25 41.381 2.870 -0.925
212 HG23 ILE 25 3HG2 ILE 25 41.110 4.442 -0.173
213 HD11 ILE 25 1HD1 ILE 25 39.681 4.858 1.991
214 HD12 ILE 25 2HD1 ILE 25 38.151 5.698 1.736
215 HD13 ILE 25 3HD1 ILE 25 39.466 5.891 0.576
216 H ALA 26 H ALA 26 39.834 -0.057 1.257
217 HA ALA 26 HA ALA 26 42.223 -0.904 0.060
218 HB1 ALA 26 1HB ALA 26 42.240 -2.637 1.607
219 HB2 ALA 26 2HB ALA 26 40.493 -2.862 1.530
220 HB3 ALA 26 3HB ALA 26 41.167 -1.480 2.393
221 H ILE 27 H ILE 27 38.885 -2.031 -0.443
222 HA ILE 27 HA ILE 27 39.485 -4.209 -2.124
223 HB ILE 27 HB ILE 27 37.081 -2.382 -2.312
224 HG12 ILE 27 1HG1 ILE 27 37.331 -3.191 -0.020
225 HG13 ILE 27 2HG1 ILE 27 35.992 -4.020 -0.801
226 HG21 ILE 27 1HG2 ILE 27 35.986 -4.481 -3.147
227 HG22 ILE 27 2HG2 ILE 27 37.580 -5.235 -3.189
228 HG23 ILE 27 3HG2 ILE 27 37.232 -3.851 -4.224
229 HD11 ILE 27 1HD1 ILE 27 38.464 -5.115 0.304
230 HD12 ILE 27 2HD1 ILE 27 38.188 -5.667 -1.347
231 HD13 ILE 27 3HD1 ILE 27 36.963 -5.939 -0.109
232 H LEU 28 H LEU 28 39.120 -0.748 -2.855
233 HA LEU 28 HA LEU 28 39.496 -0.961 -5.648
234 HB2 LEU 28 1HB LEU 28 40.028 1.238 -3.676
235 HB3 LEU 28 2HB LEU 28 40.605 1.394 -5.325
236 HG LEU 28 HG LEU 28 38.385 2.447 -4.960
237 HD11 LEU 28 1HD1 LEU 28 39.208 1.239 -7.144
238 HD12 LEU 28 2HD1 LEU 28 37.547 1.821 -7.024
239 HD13 LEU 28 3HD1 LEU 28 37.903 0.113 -6.769
240 HD21 LEU 28 1HD2 LEU 28 37.708 0.515 -3.319
241 HD22 LEU 28 2HD2 LEU 28 37.164 -0.292 -4.790
242 HD23 LEU 28 3HD2 LEU 28 36.474 1.265 -4.332
243 H ALA 29 H ALA 29 41.830 -0.950 -2.994
244 HA ALA 29 HA ALA 29 44.184 -0.965 -4.532
245 HB1 ALA 29 1HB ALA 29 43.770 -0.995 -1.911
246 HB2 ALA 29 2HB ALA 29 45.273 -1.605 -2.605
247 HB3 ALA 29 3HB ALA 29 44.001 -2.730 -2.131
248 H ALA 30 H ALA 30 41.928 -3.571 -3.733
249 HA ALA 30 HA ALA 30 43.391 -5.727 -4.791
250 HB1 ALA 30 1HB ALA 30 40.415 -5.547 -5.137
251 HB2 ALA 30 2HB ALA 30 41.107 -5.679 -3.519
252 HB3 ALA 30 3HB ALA 30 41.404 -6.943 -4.712
253 H SER 31 H SER 31 41.226 -3.395 -6.387
254 HA SER 31 HA SER 31 41.397 -4.424 -8.994
255 HB2 SER 31 1HB SER 31 39.956 -2.488 -8.233
256 HB3 SER 31 2HB SER 31 41.400 -1.483 -8.294
257 HG SER 31 HG SER 31 40.369 -3.035 -10.443
258 H ALA 32 H ALA 32 43.645 -2.315 -7.216
259 HA ALA 32 HA ALA 32 45.502 -1.907 -9.286
260 HB1 ALA 32 1HB ALA 32 45.422 -0.922 -6.877
261 HB2 ALA 32 2HB ALA 32 46.992 -1.193 -7.634
262 HB3 ALA 32 3HB ALA 32 46.376 -2.340 -6.445
263 H LEU 33 H LEU 33 45.085 -4.625 -7.045
264 HA LEU 33 HA LEU 33 47.427 -6.037 -7.715
265 HB2 LEU 33 1HB LEU 33 45.889 -6.606 -5.821
266 HB3 LEU 33 2HB LEU 33 44.757 -7.266 -7.002
267 HG LEU 33 HG LEU 33 46.685 -8.720 -7.834
268 HD11 LEU 33 1HD1 LEU 33 48.385 -9.121 -5.925
269 HD12 LEU 33 2HD1 LEU 33 47.873 -7.545 -5.322
270 HD13 LEU 33 3HD1 LEU 33 48.603 -7.682 -6.922
271 HD21 LEU 33 1HD2 LEU 33 46.471 -10.269 -5.796
272 HD22 LEU 33 2HD2 LEU 33 44.963 -9.777 -6.568
273 HD23 LEU 33 3HD2 LEU 33 45.483 -8.999 -5.072
274 H TRP 34 H TRP 34 44.247 -5.927 -9.303
275 HA TRP 34 HA TRP 34 44.748 -7.872 -11.282
276 HB2 TRP 34 1HB TRP 34 42.556 -6.771 -10.938
277 HB3 TRP 34 2HB TRP 34 43.213 -5.295 -11.614
278 HD1 TRP 34 HD1 TRP 34 43.276 -5.056 -14.176
279 HE1 TRP 34 HE1 TRP 34 42.493 -6.535 -16.135
280 HE3 TRP 34 HE3 TRP 34 42.316 -9.401 -11.670
281 HZ2 TRP 34 HZ2 TRP 34 41.578 -9.212 -16.581
282 HZ3 TRP 34 HZ3 TRP 34 41.492 -11.394 -12.883
283 HH2 TRP 34 HH2 TRP 34 41.121 -11.308 -15.332
284 H ALA 35 H ALA 35 45.751 -4.490 -11.069
285 HA ALA 35 HA ALA 35 46.976 -4.264 -13.595
286 HB1 ALA 35 1HB ALA 35 48.044 -2.371 -12.763
287 HB2 ALA 35 2HB ALA 35 48.250 -3.068 -11.157
288 HB3 ALA 35 3HB ALA 35 46.661 -2.505 -11.676
289 H ALA 36 H ALA 36 48.189 -5.594 -10.547
290 HA ALA 36 HA ALA 36 50.771 -6.303 -11.402
291 HB1 ALA 36 1HB ALA 36 49.710 -6.426 -9.046
292 HB2 ALA 36 2HB ALA 36 50.888 -7.659 -9.497
293 HB3 ALA 36 3HB ALA 36 49.164 -8.029 -9.539
294 H ALA 37 H ALA 37 47.682 -7.993 -11.782
295 HA ALA 37 HA ALA 37 48.631 -10.409 -12.816
296 HB1 ALA 37 1HB ALA 37 46.436 -10.797 -13.579
297 HB2 ALA 37 2HB ALA 37 46.119 -9.076 -13.806
298 HB3 ALA 37 3HB ALA 37 46.236 -9.744 -12.179
299 H TRP 38 H TRP 38 48.111 -7.313 -14.440
300 HA TRP 38 HA TRP 38 48.423 -8.094 -17.084
301 HB2 TRP 38 1HB TRP 38 47.837 -5.826 -16.398
302 HB3 TRP 38 2HB TRP 38 49.448 -5.589 -15.748
303 HD1 TRP 38 HD1 TRP 38 47.460 -5.546 -18.953
304 HE1 TRP 38 HE1 TRP 38 48.956 -4.697 -20.871
305 HE3 TRP 38 HE3 TRP 38 51.995 -5.555 -16.605
306 HZ2 TRP 38 HZ2 TRP 38 51.719 -4.100 -21.350
307 HZ3 TRP 38 HZ3 TRP 38 54.035 -4.845 -17.810
308 HH2 TRP 38 HH2 TRP 38 53.907 -4.118 -20.176
309 H HIS 39 H HIS 39 50.886 -7.920 -14.598
310 HA HIS 39 HA HIS 39 53.185 -7.720 -16.177
311 HB2 HIS 39 1HB HIS 39 52.662 -9.070 -13.542
312 HB3 HIS 39 2HB HIS 39 54.250 -9.066 -14.282
313 HD1 HIS 39 HD1 HIS 39 55.694 -7.126 -13.692
314 HD2 HIS 39 HD2 HIS 39 51.656 -6.258 -13.134
315 HE1 HIS 39 HE1 HIS 39 55.595 -4.813 -12.669
316 H GLY 40 H GLY 40 54.495 -9.181 -17.206
317 HA2 GLY 40 1HA GLY 40 53.443 -11.485 -18.390
318 HA3 GLY 40 2HA GLY 40 55.162 -11.129 -18.236
319 H GLN 41 H GLN 41 53.637 -13.678 -17.925
320 HA GLN 41 HA GLN 41 53.581 -14.564 -15.275
321 HB2 GLN 41 1HB GLN 41 54.261 -16.119 -17.776
322 HB3 GLN 41 2HB GLN 41 53.798 -16.822 -16.227
323 HG2 GLN 41 1HG GLN 41 52.088 -14.973 -17.916
324 HG3 GLN 41 2HG GLN 41 51.864 -16.711 -17.744
325 HE21 GLN 41 1HE2 GLN 41 50.399 -14.013 -16.763
326 HE22 GLN 41 2HE2 GLN 41 49.943 -14.440 -15.186
327 H LYS 42 H LYS 42 56.346 -13.788 -17.197
328 HA LYS 42 HA LYS 42 58.093 -15.846 -16.578
329 HB2 LYS 42 1HB LYS 42 58.540 -12.989 -17.360
330 HB3 LYS 42 2HB LYS 42 59.878 -14.116 -17.129
331 HG2 LYS 42 1HG LYS 42 58.458 -15.687 -18.685
332 HG3 LYS 42 2HG LYS 42 57.686 -14.180 -19.182
333 HD2 LYS 42 1HD LYS 42 59.689 -13.285 -20.028
334 HD3 LYS 42 2HD LYS 42 60.688 -14.415 -19.114
335 HE2 LYS 42 1HE LYS 42 58.775 -15.356 -21.253
336 HE3 LYS 42 2HE LYS 42 60.431 -14.880 -21.629
337 HZ1 LYS 42 1HZ LYS 42 60.034 -17.310 -21.140
338 HZ2 LYS 42 2HZ LYS 42 59.797 -16.857 -19.521
339 HZ3 LYS 42 3HZ LYS 42 61.291 -16.567 -20.276
340 HA PRO 43 HA PRO 43 59.897 -13.155 -12.882
341 HB2 PRO 43 1HB PRO 43 57.312 -12.816 -11.429
342 HB3 PRO 43 2HB PRO 43 58.730 -11.745 -11.486
343 HG2 PRO 43 1HG PRO 43 56.554 -11.137 -12.840
344 HG3 PRO 43 2HG PRO 43 58.161 -10.880 -13.552
345 HD2 PRO 43 1HD PRO 43 56.199 -13.083 -14.094
346 HD3 PRO 43 2HD PRO 43 57.234 -12.199 -15.241
347 H GLY 44 H GLY 44 60.633 -14.294 -11.122
348 HA2 GLY 44 1HA GLY 44 60.288 -15.823 -9.276
349 HA3 GLY 44 2HA GLY 44 59.077 -16.652 -10.248
350 H THR 45 H THR 45 62.428 -15.605 -10.878
351 HA THR 45 HA THR 45 63.165 -17.806 -12.436
352 HB THR 45 HB THR 45 64.475 -15.752 -12.364
353 HG1 THR 45 HG1 THR 45 66.133 -16.924 -12.831
354 HG21 THR 45 1HG2 THR 45 65.120 -16.623 -9.533
355 HG22 THR 45 2HG2 THR 45 64.202 -15.191 -10.003
356 HG23 THR 45 3HG2 THR 45 65.920 -15.302 -10.386
357 H HIS 46 H HIS 46 62.909 -17.549 -8.958
358 HA HIS 46 HA HIS 46 63.278 -19.056 -7.269
359 HB2 HIS 46 1HB HIS 46 61.806 -20.438 -8.717
360 HB3 HIS 46 2HB HIS 46 63.233 -21.076 -9.513
361 HD1 HIS 46 HD1 HIS 46 61.931 -20.800 -5.929
362 HD2 HIS 46 HD2 HIS 46 64.031 -23.448 -8.371
363 HE1 HIS 46 HE1 HIS 46 62.367 -22.868 -4.535
Start of MODEL 19
1 H ARG 1 3H ARG 1 23.634 -9.245 17.185
2 HA ARG 1 HA ARG 1 21.649 -8.729 18.337
3 HB2 ARG 1 1HB ARG 1 22.472 -6.283 16.740
4 HB3 ARG 1 2HB ARG 1 21.710 -6.291 18.329
5 HG2 ARG 1 1HG ARG 1 24.414 -7.523 17.725
6 HG3 ARG 1 2HG ARG 1 24.184 -5.924 18.433
7 HD2 ARG 1 1HD ARG 1 22.912 -6.987 20.305
8 HD3 ARG 1 2HD ARG 1 23.296 -8.565 19.622
9 HE ARG 1 HE ARG 1 25.563 -6.814 20.177
10 HH11 ARG 1 1HH1 ARG 1 23.591 -9.493 21.305
11 HH12 ARG 1 2HH1 ARG 1 24.809 -10.055 22.400
12 HH21 ARG 1 1HH2 ARG 1 27.089 -7.586 21.607
13 HH22 ARG 1 2HH2 ARG 1 26.762 -8.988 22.569
14 H SER 2 H SER 2 19.788 -9.718 17.575
15 HA SER 2 HA SER 2 18.532 -9.254 15.124
16 HB2 SER 2 1HB SER 2 17.247 -10.030 17.754
17 HB3 SER 2 2HB SER 2 16.529 -10.224 16.158
18 HG SER 2 HG SER 2 17.605 -12.019 16.036
19 H LEU 3 H LEU 3 16.922 -7.907 14.439
20 HA LEU 3 HA LEU 3 16.796 -5.285 15.395
21 HB2 LEU 3 1HB LEU 3 14.731 -6.761 13.751
22 HB3 LEU 3 2HB LEU 3 14.882 -5.011 13.894
23 HG LEU 3 HG LEU 3 17.043 -6.844 12.810
24 HD11 LEU 3 1HD1 LEU 3 16.413 -5.540 10.657
25 HD12 LEU 3 2HD1 LEU 3 14.904 -5.173 11.492
26 HD13 LEU 3 3HD1 LEU 3 15.346 -6.849 11.167
27 HD21 LEU 3 1HD2 LEU 3 17.806 -4.488 11.944
28 HD22 LEU 3 2HD2 LEU 3 18.152 -4.937 13.614
29 HD23 LEU 3 3HD2 LEU 3 16.791 -3.875 13.251
30 H LEU 4 H LEU 4 15.106 -8.086 16.560
31 HA LEU 4 HA LEU 4 12.674 -6.939 17.369
32 HB2 LEU 4 1HB LEU 4 14.196 -9.210 18.665
33 HB3 LEU 4 2HB LEU 4 12.484 -8.852 18.885
34 HG LEU 4 HG LEU 4 13.773 -9.510 16.220
35 HD11 LEU 4 1HD1 LEU 4 13.772 -11.463 17.701
36 HD12 LEU 4 2HD1 LEU 4 12.543 -11.661 16.451
37 HD13 LEU 4 3HD1 LEU 4 12.071 -11.193 18.085
38 HD21 LEU 4 1HD2 LEU 4 11.818 -8.156 15.880
39 HD22 LEU 4 2HD2 LEU 4 10.919 -9.032 17.119
40 HD23 LEU 4 3HD2 LEU 4 11.320 -9.824 15.595
41 H GLU 5 H GLU 5 15.857 -6.756 18.832
42 HA GLU 5 HA GLU 5 14.965 -5.981 21.439
43 HB2 GLU 5 1HB GLU 5 17.603 -5.514 20.037
44 HB3 GLU 5 2HB GLU 5 17.305 -5.214 21.750
45 HG2 GLU 5 1HG GLU 5 16.975 -7.887 20.361
46 HG3 GLU 5 2HG GLU 5 18.342 -7.434 21.370
47 H GLY 6 H GLY 6 15.618 -4.195 18.483
48 HA2 GLY 6 1HA GLY 6 14.842 -2.156 17.805
49 HA3 GLY 6 2HA GLY 6 13.880 -2.101 19.268
50 H GLU 7 H GLU 7 16.902 -2.447 20.525
51 HA GLU 7 HA GLU 7 17.028 0.212 21.439
52 HB2 GLU 7 1HB GLU 7 18.104 -1.766 22.540
53 HB3 GLU 7 2HB GLU 7 19.321 -1.756 21.264
54 HG2 GLU 7 1HG GLU 7 19.885 0.593 21.862
55 HG3 GLU 7 2HG GLU 7 18.730 0.511 23.186
56 H ILE 8 H ILE 8 18.075 2.016 20.689
57 HA ILE 8 HA ILE 8 18.884 2.252 18.026
58 HB ILE 8 HB ILE 8 19.939 4.386 18.734
59 HG12 ILE 8 1HG1 ILE 8 19.152 3.500 21.528
60 HG13 ILE 8 2HG1 ILE 8 20.807 3.499 20.921
61 HG21 ILE 8 1HG2 ILE 8 17.413 4.014 18.431
62 HG22 ILE 8 2HG2 ILE 8 17.900 5.439 19.349
63 HG23 ILE 8 3HG2 ILE 8 17.321 4.002 20.192
64 HD11 ILE 8 1HD1 ILE 8 20.596 5.567 22.064
65 HD12 ILE 8 2HD1 ILE 8 18.995 5.868 21.389
66 HD13 ILE 8 3HD1 ILE 8 20.422 5.980 20.359
67 HA PRO 9 HA PRO 9 23.103 0.523 18.268
68 HB2 PRO 9 1HB PRO 9 24.274 2.099 16.297
69 HB3 PRO 9 2HB PRO 9 23.418 0.575 15.998
70 HG2 PRO 9 1HG PRO 9 22.468 3.367 15.684
71 HG3 PRO 9 2HG PRO 9 22.121 1.932 14.701
72 HD2 PRO 9 1HD PRO 9 20.325 2.916 16.475
73 HD3 PRO 9 2HD PRO 9 20.455 1.178 16.129
74 H PHE 10 H PHE 10 24.889 1.166 19.503
75 HA PHE 10 HA PHE 10 24.916 3.606 20.875
76 HB2 PHE 10 1HB PHE 10 26.711 1.314 20.539
77 HB3 PHE 10 2HB PHE 10 27.586 2.802 20.802
78 HD1 PHE 10 HD1 PHE 10 26.235 4.325 22.729
79 HD2 PHE 10 HD2 PHE 10 26.429 0.045 22.432
80 HE1 PHE 10 HE1 PHE 10 25.792 4.137 25.161
81 HE2 PHE 10 HE2 PHE 10 25.984 -0.144 24.864
82 HZ PHE 10 HZ PHE 10 25.666 1.902 26.230
83 HA PRO 11 HA PRO 11 26.258 6.400 17.664
84 HB2 PRO 11 1HB PRO 11 27.836 7.936 19.632
85 HB3 PRO 11 2HB PRO 11 26.473 8.443 18.621
86 HG2 PRO 11 1HG PRO 11 26.253 8.073 21.268
87 HG3 PRO 11 2HG PRO 11 24.917 7.782 20.140
88 HD2 PRO 11 1HD PRO 11 26.667 5.798 21.531
89 HD3 PRO 11 2HD PRO 11 24.949 5.682 21.086
90 HA PRO 12 HA PRO 12 31.110 5.859 18.186
91 HB2 PRO 12 1HB PRO 12 30.999 3.379 19.844
92 HB3 PRO 12 2HB PRO 12 32.214 4.672 19.822
93 HG2 PRO 12 1HG PRO 12 30.414 4.467 21.777
94 HG3 PRO 12 2HG PRO 12 30.992 6.035 21.189
95 HD2 PRO 12 1HD PRO 12 28.354 4.740 20.764
96 HD3 PRO 12 2HD PRO 12 28.780 6.459 20.782
97 H THR 13 H THR 13 28.764 3.163 18.156
98 HA THR 13 HA THR 13 30.235 1.458 16.456
99 HB THR 13 HB THR 13 28.192 0.303 15.983
100 HG1 THR 13 HG1 THR 13 26.294 1.243 16.030
101 HG21 THR 13 1HG2 THR 13 27.960 1.452 18.777
102 HG22 THR 13 2HG2 THR 13 29.062 0.153 18.320
103 HG23 THR 13 3HG2 THR 13 27.319 -0.092 18.215
104 H SER 14 H SER 14 28.221 4.270 15.742
105 HA SER 14 HA SER 14 27.956 3.778 12.959
106 HB2 SER 14 1HB SER 14 27.175 6.034 12.792
107 HB3 SER 14 2HB SER 14 26.584 5.399 14.324
108 HG SER 14 HG SER 14 28.527 6.380 15.249
109 H ILE 15 H ILE 15 30.192 5.909 14.775
110 HA ILE 15 HA ILE 15 31.632 6.738 12.487
111 HB ILE 15 HB ILE 15 33.430 7.385 14.050
112 HG12 ILE 15 1HG1 ILE 15 31.672 6.161 16.188
113 HG13 ILE 15 2HG1 ILE 15 33.129 5.382 15.569
114 HG21 ILE 15 1HG2 ILE 15 30.637 7.997 15.062
115 HG22 ILE 15 2HG2 ILE 15 31.427 8.812 13.711
116 HG23 ILE 15 3HG2 ILE 15 32.081 8.972 15.341
117 HD11 ILE 15 1HD1 ILE 15 33.888 6.546 17.478
118 HD12 ILE 15 2HD1 ILE 15 32.891 7.956 17.120
119 HD13 ILE 15 3HD1 ILE 15 34.316 7.611 16.139
120 H LEU 16 H LEU 16 31.960 3.847 14.505
121 HA LEU 16 HA LEU 16 34.383 2.908 13.413
122 HB2 LEU 16 1HB LEU 16 31.991 1.405 14.487
123 HB3 LEU 16 2HB LEU 16 33.509 0.631 14.034
124 HG LEU 16 HG LEU 16 33.346 2.910 16.022
125 HD11 LEU 16 1HD1 LEU 16 33.084 -0.065 16.364
126 HD12 LEU 16 2HD1 LEU 16 32.196 1.228 17.170
127 HD13 LEU 16 3HD1 LEU 16 33.865 0.888 17.627
128 HD21 LEU 16 1HD2 LEU 16 35.478 0.989 15.089
129 HD22 LEU 16 2HD2 LEU 16 35.590 1.770 16.665
130 HD23 LEU 16 3HD2 LEU 16 35.554 2.748 15.198
131 H LEU 17 H LEU 17 31.045 2.677 12.217
132 HA LEU 17 HA LEU 17 31.547 0.985 10.032
133 HB2 LEU 17 1HB LEU 17 29.283 1.740 10.771
134 HB3 LEU 17 2HB LEU 17 29.627 3.323 10.070
135 HG LEU 17 HG LEU 17 30.098 2.130 7.879
136 HD11 LEU 17 1HD1 LEU 17 28.842 -0.145 7.804
137 HD12 LEU 17 2HD1 LEU 17 29.058 -0.150 9.554
138 HD13 LEU 17 3HD1 LEU 17 30.466 -0.116 8.492
139 HD21 LEU 17 1HD2 LEU 17 28.003 3.302 8.169
140 HD22 LEU 17 2HD2 LEU 17 27.346 1.988 9.143
141 HD23 LEU 17 3HD2 LEU 17 27.640 1.747 7.422
142 H LEU 18 H LEU 18 32.025 4.481 10.392
143 HA LEU 18 HA LEU 18 32.760 5.032 7.725
144 HB2 LEU 18 1HB LEU 18 32.376 6.764 9.483
145 HB3 LEU 18 2HB LEU 18 33.927 6.324 10.199
146 HG LEU 18 HG LEU 18 34.989 6.786 7.947
147 HD11 LEU 18 1HD1 LEU 18 33.157 6.670 6.442
148 HD12 LEU 18 2HD1 LEU 18 33.551 8.386 6.528
149 HD13 LEU 18 3HD1 LEU 18 32.174 7.751 7.429
150 HD21 LEU 18 1HD2 LEU 18 34.876 9.266 8.236
151 HD22 LEU 18 2HD2 LEU 18 35.136 8.419 9.761
152 HD23 LEU 18 3HD2 LEU 18 33.537 9.045 9.361
153 H LEU 19 H LEU 19 34.663 3.778 10.443
154 HA LEU 19 HA LEU 19 37.163 3.683 9.147
155 HB2 LEU 19 1HB LEU 19 36.727 3.203 11.584
156 HB3 LEU 19 2HB LEU 19 36.143 1.612 11.095
157 HG LEU 19 HG LEU 19 38.401 1.416 9.824
158 HD11 LEU 19 1HD1 LEU 19 39.011 3.811 10.131
159 HD12 LEU 19 2HD1 LEU 19 40.225 2.724 10.805
160 HD13 LEU 19 3HD1 LEU 19 39.088 3.546 11.873
161 HD21 LEU 19 1HD2 LEU 19 38.423 1.446 12.858
162 HD22 LEU 19 2HD2 LEU 19 39.451 0.473 11.805
163 HD23 LEU 19 3HD2 LEU 19 37.718 0.153 11.886
164 H ALA 20 H ALA 20 34.404 1.479 9.007
165 HA ALA 20 HA ALA 20 35.602 -0.560 7.480
166 HB1 ALA 20 1HB ALA 20 33.464 -1.379 7.150
167 HB2 ALA 20 2HB ALA 20 32.760 0.229 6.983
168 HB3 ALA 20 3HB ALA 20 33.216 -0.372 8.576
169 H CYS 21 H CYS 21 34.187 2.534 6.517
170 HA CYS 21 HA CYS 21 34.050 2.006 3.745
171 HB2 CYS 21 1HB CYS 21 34.375 4.626 5.224
172 HB3 CYS 21 2HB CYS 21 34.006 4.487 3.504
173 HG CYS 21 HG CYS 21 31.647 4.363 4.269
174 H ILE 22 H ILE 22 36.571 3.625 5.692
175 HA ILE 22 HA ILE 22 38.310 4.069 3.500
176 HB ILE 22 HB ILE 22 40.111 4.347 5.150
177 HG12 ILE 22 1HG1 ILE 22 38.051 3.650 7.247
178 HG13 ILE 22 2HG1 ILE 22 39.247 2.486 6.675
179 HG21 ILE 22 1HG2 ILE 22 37.521 5.587 6.112
180 HG22 ILE 22 2HG2 ILE 22 38.385 6.124 4.672
181 HG23 ILE 22 3HG2 ILE 22 39.146 6.259 6.257
182 HD11 ILE 22 1HD1 ILE 22 40.968 4.384 7.200
183 HD12 ILE 22 2HD1 ILE 22 40.322 3.423 8.531
184 HD13 ILE 22 3HD1 ILE 22 39.678 5.034 8.211
185 H PHE 23 H PHE 23 37.868 1.229 5.583
186 HA PHE 23 HA PHE 23 40.045 -0.268 4.646
187 HB2 PHE 23 1HB PHE 23 38.519 -0.936 6.498
188 HB3 PHE 23 2HB PHE 23 37.295 -1.325 5.305
189 HD1 PHE 23 HD1 PHE 23 40.605 -2.260 6.662
190 HD2 PHE 23 HD2 PHE 23 37.416 -3.347 3.998
191 HE1 PHE 23 HE1 PHE 23 41.572 -4.532 6.431
192 HE2 PHE 23 HE2 PHE 23 38.383 -5.620 3.768
193 HZ PHE 23 HZ PHE 23 40.462 -6.212 4.984
194 H LEU 24 H LEU 24 36.829 0.231 3.187
195 HA LEU 24 HA LEU 24 37.138 -1.514 1.021
196 HB2 LEU 24 1HB LEU 24 35.725 1.160 0.991
197 HB3 LEU 24 2HB LEU 24 35.478 -0.165 -0.139
198 HG LEU 24 HG LEU 24 34.993 -0.340 2.850
199 HD11 LEU 24 1HD1 LEU 24 32.593 -0.406 2.182
200 HD12 LEU 24 2HD1 LEU 24 33.070 -0.068 0.519
201 HD13 LEU 24 3HD1 LEU 24 33.356 1.132 1.778
202 HD21 LEU 24 1HD2 LEU 24 33.719 -2.435 2.012
203 HD22 LEU 24 2HD2 LEU 24 35.479 -2.526 2.071
204 HD23 LEU 24 3HD2 LEU 24 34.661 -2.251 0.533
205 H ILE 25 H ILE 25 38.322 1.818 1.428
206 HA ILE 25 HA ILE 25 39.396 2.130 -1.149
207 HB ILE 25 HB ILE 25 40.610 3.157 1.429
208 HG12 ILE 25 1HG1 ILE 25 38.624 4.486 -0.441
209 HG13 ILE 25 2HG1 ILE 25 38.174 3.725 1.085
210 HG21 ILE 25 1HG2 ILE 25 41.553 4.901 -0.008
211 HG22 ILE 25 2HG2 ILE 25 40.791 4.172 -1.422
212 HG23 ILE 25 3HG2 ILE 25 42.076 3.313 -0.571
213 HD11 ILE 25 1HD1 ILE 25 40.101 6.040 0.749
214 HD12 ILE 25 2HD1 ILE 25 39.734 5.246 2.280
215 HD13 ILE 25 3HD1 ILE 25 38.473 6.130 1.420
216 H ALA 26 H ALA 26 40.720 0.423 1.673
217 HA ALA 26 HA ALA 26 43.204 -0.275 0.570
218 HB1 ALA 26 1HB ALA 26 42.234 -0.718 2.944
219 HB2 ALA 26 2HB ALA 26 43.357 -1.889 2.256
220 HB3 ALA 26 3HB ALA 26 41.623 -2.214 2.236
221 H ILE 27 H ILE 27 40.028 -1.844 0.254
222 HA ILE 27 HA ILE 27 40.859 -4.040 -1.295
223 HB ILE 27 HB ILE 27 38.220 -2.559 -1.462
224 HG12 ILE 27 1HG1 ILE 27 38.987 -4.972 0.209
225 HG13 ILE 27 2HG1 ILE 27 38.891 -3.328 0.843
226 HG21 ILE 27 1HG2 ILE 27 37.347 -4.707 -2.270
227 HG22 ILE 27 2HG2 ILE 27 38.956 -5.420 -2.155
228 HG23 ILE 27 3HG2 ILE 27 38.640 -4.143 -3.330
229 HD11 ILE 27 1HD1 ILE 27 36.494 -3.295 -0.109
230 HD12 ILE 27 2HD1 ILE 27 36.774 -4.266 1.336
231 HD13 ILE 27 3HD1 ILE 27 36.659 -5.046 -0.241
232 H LEU 28 H LEU 28 40.130 -0.696 -2.227
233 HA LEU 28 HA LEU 28 40.247 -1.035 -5.021
234 HB2 LEU 28 1HB LEU 28 39.565 1.072 -3.850
235 HB3 LEU 28 2HB LEU 28 41.267 1.363 -3.488
236 HG LEU 28 HG LEU 28 41.715 1.153 -5.982
237 HD11 LEU 28 1HD1 LEU 28 39.588 1.729 -7.340
238 HD12 LEU 28 2HD1 LEU 28 38.697 1.134 -5.938
239 HD13 LEU 28 3HD1 LEU 28 39.790 0.059 -6.812
240 HD21 LEU 28 1HD2 LEU 28 39.986 3.359 -4.839
241 HD22 LEU 28 2HD2 LEU 28 40.703 3.460 -6.448
242 HD23 LEU 28 3HD2 LEU 28 41.740 3.344 -5.025
243 H ALA 29 H ALA 29 42.829 -0.673 -2.626
244 HA ALA 29 HA ALA 29 45.011 -0.580 -4.405
245 HB1 ALA 29 1HB ALA 29 45.144 -2.130 -1.836
246 HB2 ALA 29 2HB ALA 29 44.940 -0.380 -1.805
247 HB3 ALA 29 3HB ALA 29 46.362 -1.088 -2.570
248 H ALA 30 H ALA 30 43.198 -3.329 -3.096
249 HA ALA 30 HA ALA 30 44.721 -5.392 -4.255
250 HB1 ALA 30 1HB ALA 30 42.681 -5.470 -2.605
251 HB2 ALA 30 2HB ALA 30 42.967 -6.812 -3.713
252 HB3 ALA 30 3HB ALA 30 41.737 -5.605 -4.089
253 H SER 31 H SER 31 42.081 -3.432 -5.593
254 HA SER 31 HA SER 31 41.791 -4.765 -8.041
255 HB2 SER 31 1HB SER 31 41.557 -1.783 -7.578
256 HB3 SER 31 2HB SER 31 40.831 -2.705 -8.890
257 HG SER 31 HG SER 31 39.712 -3.901 -7.232
258 H ALA 32 H ALA 32 44.131 -2.270 -7.061
259 HA ALA 32 HA ALA 32 45.353 -1.902 -9.568
260 HB1 ALA 32 1HB ALA 32 47.055 -0.815 -8.425
261 HB2 ALA 32 2HB ALA 32 47.007 -1.943 -7.070
262 HB3 ALA 32 3HB ALA 32 45.747 -0.720 -7.245
263 H LEU 33 H LEU 33 45.920 -4.328 -7.034
264 HA LEU 33 HA LEU 33 48.102 -5.634 -8.244
265 HB2 LEU 33 1HB LEU 33 47.277 -6.069 -5.930
266 HB3 LEU 33 2HB LEU 33 45.899 -6.927 -6.621
267 HG LEU 33 HG LEU 33 47.568 -8.400 -7.844
268 HD11 LEU 33 1HD1 LEU 33 49.838 -8.419 -6.554
269 HD12 LEU 33 2HD1 LEU 33 49.409 -6.768 -6.107
270 HD13 LEU 33 3HD1 LEU 33 49.589 -7.202 -7.807
271 HD21 LEU 33 1HD2 LEU 33 48.171 -9.669 -5.720
272 HD22 LEU 33 2HD2 LEU 33 46.459 -9.288 -5.906
273 HD23 LEU 33 3HD2 LEU 33 47.461 -8.329 -4.817
274 H TRP 34 H TRP 34 44.607 -5.974 -8.780
275 HA TRP 34 HA TRP 34 44.705 -8.137 -10.581
276 HB2 TRP 34 1HB TRP 34 42.631 -7.066 -9.625
277 HB3 TRP 34 2HB TRP 34 42.834 -5.786 -10.804
278 HD1 TRP 34 HD1 TRP 34 41.839 -6.166 -13.123
279 HE1 TRP 34 HE1 TRP 34 40.729 -8.157 -14.324
280 HE3 TRP 34 HE3 TRP 34 42.763 -9.866 -9.728
281 HZ2 TRP 34 HZ2 TRP 34 40.291 -10.956 -13.901
282 HZ3 TRP 34 HZ3 TRP 34 41.991 -12.180 -10.150
283 HH2 TRP 34 HH2 TRP 34 40.758 -12.732 -12.227
284 H ALA 35 H ALA 35 45.357 -4.704 -11.073
285 HA ALA 35 HA ALA 35 45.587 -4.724 -13.878
286 HB1 ALA 35 1HB ALA 35 45.747 -2.752 -12.165
287 HB2 ALA 35 2HB ALA 35 46.654 -2.664 -13.674
288 HB3 ALA 35 3HB ALA 35 47.472 -3.122 -12.180
289 H ALA 36 H ALA 36 47.945 -5.520 -11.355
290 HA ALA 36 HA ALA 36 50.109 -6.179 -13.032
291 HB1 ALA 36 1HB ALA 36 49.510 -7.743 -10.540
292 HB2 ALA 36 2HB ALA 36 49.969 -6.042 -10.438
293 HB3 ALA 36 3HB ALA 36 51.069 -7.210 -11.172
294 H ALA 37 H ALA 37 47.312 -8.103 -12.023
295 HA ALA 37 HA ALA 37 48.060 -10.567 -13.108
296 HB1 ALA 37 1HB ALA 37 45.856 -11.216 -12.805
297 HB2 ALA 37 2HB ALA 37 45.219 -9.639 -13.270
298 HB3 ALA 37 3HB ALA 37 45.976 -9.854 -11.691
299 H TRP 38 H TRP 38 46.657 -7.745 -14.692
300 HA TRP 38 HA TRP 38 46.000 -8.826 -17.159
301 HB2 TRP 38 1HB TRP 38 45.549 -6.504 -16.450
302 HB3 TRP 38 2HB TRP 38 47.251 -6.130 -16.647
303 HD1 TRP 38 HD1 TRP 38 48.046 -5.446 -18.988
304 HE1 TRP 38 HE1 TRP 38 46.924 -5.263 -21.301
305 HE3 TRP 38 HE3 TRP 38 43.586 -7.721 -17.985
306 HZ2 TRP 38 HZ2 TRP 38 44.456 -5.985 -22.562
307 HZ3 TRP 38 HZ3 TRP 38 41.871 -7.959 -19.755
308 HH2 TRP 38 HH2 TRP 38 42.297 -7.097 -22.038
309 H HIS 39 H HIS 39 49.193 -8.261 -15.859
310 HA HIS 39 HA HIS 39 50.687 -8.031 -18.206
311 HB2 HIS 39 1HB HIS 39 51.578 -7.699 -15.927
312 HB3 HIS 39 2HB HIS 39 51.469 -9.427 -15.646
313 HD1 HIS 39 HD1 HIS 39 53.084 -7.159 -18.269
314 HD2 HIS 39 HD2 HIS 39 53.889 -10.638 -16.119
315 HE1 HIS 39 HE1 HIS 39 55.409 -7.892 -18.943
316 H GLY 40 H GLY 40 51.651 -9.469 -19.581
317 HA2 GLY 40 1HA GLY 40 51.969 -11.403 -20.774
318 HA3 GLY 40 2HA GLY 40 51.943 -12.221 -19.216
319 H GLN 41 H GLN 41 51.005 -13.703 -21.116
320 HA GLN 41 HA GLN 41 48.361 -13.460 -21.974
321 HB2 GLN 41 1HB GLN 41 50.012 -15.148 -22.784
322 HB3 GLN 41 2HB GLN 41 49.806 -16.023 -21.267
323 HG2 GLN 41 1HG GLN 41 47.359 -16.198 -21.755
324 HG3 GLN 41 2HG GLN 41 47.656 -15.451 -23.324
325 HE21 GLN 41 1HE2 GLN 41 47.885 -16.967 -24.963
326 HE22 GLN 41 2HE2 GLN 41 48.512 -18.532 -24.764
327 H LYS 42 H LYS 42 46.393 -14.170 -21.162
328 HA LYS 42 HA LYS 42 45.897 -13.866 -18.445
329 HB2 LYS 42 1HB LYS 42 44.286 -15.394 -20.503
330 HB3 LYS 42 2HB LYS 42 43.688 -14.896 -18.921
331 HG2 LYS 42 1HG LYS 42 43.667 -12.639 -19.483
332 HG3 LYS 42 2HG LYS 42 44.902 -12.829 -20.728
333 HD2 LYS 42 1HD LYS 42 43.372 -13.778 -22.266
334 HD3 LYS 42 2HD LYS 42 42.180 -14.103 -21.007
335 HE2 LYS 42 1HE LYS 42 43.031 -11.269 -21.508
336 HE3 LYS 42 2HE LYS 42 41.872 -12.025 -22.601
337 HZ1 LYS 42 1HZ LYS 42 40.673 -12.703 -20.464
338 HZ2 LYS 42 2HZ LYS 42 40.555 -11.083 -20.964
339 HZ3 LYS 42 3HZ LYS 42 41.614 -11.513 -19.707
340 HA PRO 43 HA PRO 43 47.342 -17.584 -16.566
341 HB2 PRO 43 1HB PRO 43 44.813 -17.780 -15.010
342 HB3 PRO 43 2HB PRO 43 46.491 -17.695 -14.439
343 HG2 PRO 43 1HG PRO 43 44.828 -15.625 -14.232
344 HG3 PRO 43 2HG PRO 43 46.559 -15.412 -14.552
345 HD2 PRO 43 1HD PRO 43 44.256 -15.138 -16.434
346 HD3 PRO 43 2HD PRO 43 45.798 -14.256 -16.393
347 H GLY 44 H GLY 44 47.226 -19.786 -16.856
348 HA2 GLY 44 1HA GLY 44 45.652 -20.862 -18.895
349 HA3 GLY 44 2HA GLY 44 46.523 -21.810 -17.694
350 H THR 45 H THR 45 43.824 -22.171 -18.919
351 HA THR 45 HA THR 45 41.753 -21.563 -17.144
352 HB THR 45 HB THR 45 40.525 -23.394 -18.209
353 HG1 THR 45 HG1 THR 45 41.782 -24.587 -19.825
354 HG21 THR 45 1HG2 THR 45 40.561 -22.528 -20.421
355 HG22 THR 45 2HG2 THR 45 42.265 -22.090 -20.304
356 HG23 THR 45 3HG2 THR 45 41.057 -21.182 -19.396
357 H HIS 46 H HIS 46 44.250 -23.999 -16.863
358 HA HIS 46 HA HIS 46 42.811 -25.468 -14.798
359 HB2 HIS 46 1HB HIS 46 45.616 -25.740 -15.886
360 HB3 HIS 46 2HB HIS 46 44.918 -26.790 -14.668
361 HD1 HIS 46 HD1 HIS 46 44.904 -26.063 -18.325
362 HD2 HIS 46 HD2 HIS 46 42.927 -28.604 -15.676
363 HE1 HIS 46 HE1 HIS 46 43.712 -27.788 -19.743
Start of MODEL 20
1 H ARG 1 3H ARG 1 45.990 14.166 15.601
2 HA ARG 1 HA ARG 1 45.612 15.473 13.482
3 HB2 ARG 1 1HB ARG 1 43.936 12.998 12.973
4 HB3 ARG 1 2HB ARG 1 43.805 14.500 12.056
5 HG2 ARG 1 1HG ARG 1 46.232 14.304 11.479
6 HG3 ARG 1 2HG ARG 1 46.258 12.733 12.276
7 HD2 ARG 1 1HD ARG 1 44.541 13.495 9.899
8 HD3 ARG 1 2HD ARG 1 45.959 12.455 9.859
9 HE ARG 1 HE ARG 1 43.889 11.558 11.676
10 HH11 ARG 1 1HH1 ARG 1 45.062 11.396 8.371
11 HH12 ARG 1 2HH1 ARG 1 44.249 9.900 8.052
12 HH21 ARG 1 1HH2 ARG 1 42.867 9.635 11.206
13 HH22 ARG 1 2HH2 ARG 1 43.022 8.916 9.638
14 H SER 2 H SER 2 43.676 16.772 13.466
15 HA SER 2 HA SER 2 42.538 17.191 15.983
16 HB2 SER 2 1HB SER 2 42.639 18.879 14.167
17 HB3 SER 2 2HB SER 2 41.386 17.993 13.306
18 HG SER 2 HG SER 2 40.001 18.368 15.046
19 H LEU 3 H LEU 3 41.520 15.012 13.437
20 HA LEU 3 HA LEU 3 38.806 14.749 14.044
21 HB2 LEU 3 1HB LEU 3 40.851 12.942 12.807
22 HB3 LEU 3 2HB LEU 3 39.262 12.296 13.189
23 HG LEU 3 HG LEU 3 39.446 13.115 10.850
24 HD11 LEU 3 1HD1 LEU 3 37.544 14.923 12.318
25 HD12 LEU 3 2HD1 LEU 3 37.307 13.175 12.309
26 HD13 LEU 3 3HD1 LEU 3 37.310 14.074 10.791
27 HD21 LEU 3 1HD2 LEU 3 39.608 15.484 10.365
28 HD22 LEU 3 2HD2 LEU 3 41.001 15.018 11.340
29 HD23 LEU 3 3HD2 LEU 3 39.651 15.875 12.084
30 H LEU 4 H LEU 4 41.561 13.596 15.834
31 HA LEU 4 HA LEU 4 40.462 11.365 17.127
32 HB2 LEU 4 1HB LEU 4 42.859 12.028 17.173
33 HB3 LEU 4 2HB LEU 4 42.441 13.350 18.261
34 HG LEU 4 HG LEU 4 41.446 11.630 19.824
35 HD11 LEU 4 1HD1 LEU 4 42.702 9.811 17.762
36 HD12 LEU 4 2HD1 LEU 4 41.056 9.767 18.395
37 HD13 LEU 4 3HD1 LEU 4 42.408 9.280 19.418
38 HD21 LEU 4 1HD2 LEU 4 43.590 11.001 20.752
39 HD22 LEU 4 2HD2 LEU 4 43.765 12.606 20.042
40 HD23 LEU 4 3HD2 LEU 4 44.377 11.191 19.184
41 H GLU 5 H GLU 5 39.901 14.772 17.657
42 HA GLU 5 HA GLU 5 39.001 14.572 20.357
43 HB2 GLU 5 1HB GLU 5 38.487 16.675 18.249
44 HB3 GLU 5 2HB GLU 5 38.075 16.842 19.956
45 HG2 GLU 5 1HG GLU 5 40.465 16.471 20.539
46 HG3 GLU 5 2HG GLU 5 40.852 16.402 18.825
47 H GLY 6 H GLY 6 37.412 13.999 17.299
48 HA2 GLY 6 1HA GLY 6 35.314 13.172 16.831
49 HA3 GLY 6 2HA GLY 6 35.140 12.838 18.547
50 H GLU 7 H GLU 7 35.813 16.114 17.539
51 HA GLU 7 HA GLU 7 33.652 17.196 18.938
52 HB2 GLU 7 1HB GLU 7 35.259 18.381 16.671
53 HB3 GLU 7 2HB GLU 7 34.170 19.293 17.717
54 HG2 GLU 7 1HG GLU 7 36.560 17.687 18.661
55 HG3 GLU 7 2HG GLU 7 36.525 19.437 18.484
56 H ILE 8 H ILE 8 33.722 15.886 15.701
57 HA ILE 8 HA ILE 8 31.747 17.404 14.476
58 HB ILE 8 HB ILE 8 31.382 15.433 13.011
59 HG12 ILE 8 1HG1 ILE 8 33.308 14.049 14.902
60 HG13 ILE 8 2HG1 ILE 8 31.573 13.739 14.855
61 HG21 ILE 8 1HG2 ILE 8 33.688 15.306 12.189
62 HG22 ILE 8 2HG2 ILE 8 34.288 15.927 13.727
63 HG23 ILE 8 3HG2 ILE 8 33.315 16.959 12.679
64 HD11 ILE 8 1HD1 ILE 8 33.513 13.349 12.557
65 HD12 ILE 8 2HD1 ILE 8 31.769 13.098 12.465
66 HD13 ILE 8 3HD1 ILE 8 32.755 12.069 13.505
67 HA PRO 9 HA PRO 9 28.068 16.440 16.771
68 HB2 PRO 9 1HB PRO 9 26.520 16.337 14.241
69 HB3 PRO 9 2HB PRO 9 26.311 17.381 15.658
70 HG2 PRO 9 1HG PRO 9 27.295 18.291 13.349
71 HG3 PRO 9 2HG PRO 9 27.820 18.920 14.921
72 HD2 PRO 9 1HD PRO 9 29.253 17.065 13.068
73 HD3 PRO 9 2HD PRO 9 29.903 18.318 14.149
74 H PHE 10 H PHE 10 28.950 14.455 14.022
75 HA PHE 10 HA PHE 10 26.971 12.509 14.144
76 HB2 PHE 10 1HB PHE 10 29.878 12.233 13.384
77 HB3 PHE 10 2HB PHE 10 28.660 11.006 13.088
78 HD1 PHE 10 HD1 PHE 10 26.915 11.347 11.395
79 HD2 PHE 10 HD2 PHE 10 29.962 14.292 12.101
80 HE1 PHE 10 HE1 PHE 10 26.332 12.463 9.258
81 HE2 PHE 10 HE2 PHE 10 29.379 15.407 9.963
82 HZ PHE 10 HZ PHE 10 27.564 14.492 8.542
83 HA PRO 11 HA PRO 11 27.937 10.336 17.987
84 HB2 PRO 11 1HB PRO 11 27.164 7.833 16.574
85 HB3 PRO 11 2HB PRO 11 26.539 8.516 18.086
86 HG2 PRO 11 1HG PRO 11 25.124 8.577 15.834
87 HG3 PRO 11 2HG PRO 11 25.063 9.898 17.015
88 HD2 PRO 11 1HD PRO 11 26.480 9.801 14.380
89 HD3 PRO 11 2HD PRO 11 25.674 11.169 15.181
90 HA PRO 12 HA PRO 12 32.071 8.857 17.022
91 HB2 PRO 12 1HB PRO 12 32.487 7.144 19.176
92 HB3 PRO 12 2HB PRO 12 32.768 8.894 19.198
93 HG2 PRO 12 1HG PRO 12 30.457 7.340 20.220
94 HG3 PRO 12 2HG PRO 12 31.232 8.790 20.884
95 HD2 PRO 12 1HD PRO 12 28.875 8.918 19.555
96 HD3 PRO 12 2HD PRO 12 30.075 10.230 19.473
97 H THR 13 H THR 13 29.537 6.542 17.956
98 HA THR 13 HA THR 13 30.678 4.219 16.853
99 HB THR 13 HB THR 13 27.743 4.953 16.905
100 HG1 THR 13 HG1 THR 13 27.797 4.528 18.967
101 HG21 THR 13 1HG2 THR 13 27.588 2.416 17.199
102 HG22 THR 13 2HG2 THR 13 29.279 2.359 16.701
103 HG23 THR 13 3HG2 THR 13 28.055 2.987 15.596
104 H SER 14 H SER 14 28.835 6.856 15.338
105 HA SER 14 HA SER 14 28.556 5.692 12.787
106 HB2 SER 14 1HB SER 14 28.912 8.615 13.488
107 HB3 SER 14 2HB SER 14 28.286 7.986 11.968
108 HG SER 14 HG SER 14 26.426 7.777 12.916
109 H ILE 15 H ILE 15 31.205 7.577 14.228
110 HA ILE 15 HA ILE 15 32.860 7.683 11.952
111 HB ILE 15 HB ILE 15 33.715 7.406 14.848
112 HG12 ILE 15 1HG1 ILE 15 33.294 9.905 13.181
113 HG13 ILE 15 2HG1 ILE 15 32.127 9.301 14.358
114 HG21 ILE 15 1HG2 ILE 15 35.157 8.595 12.458
115 HG22 ILE 15 2HG2 ILE 15 35.518 7.020 13.165
116 HG23 ILE 15 3HG2 ILE 15 35.778 8.489 14.105
117 HD11 ILE 15 1HD1 ILE 15 33.424 10.940 15.514
118 HD12 ILE 15 2HD1 ILE 15 34.936 10.293 14.877
119 HD13 ILE 15 3HD1 ILE 15 34.018 9.375 16.072
120 H LEU 16 H LEU 16 32.334 5.092 14.319
121 HA LEU 16 HA LEU 16 34.353 3.336 13.441
122 HB2 LEU 16 1HB LEU 16 32.565 3.205 15.410
123 HB3 LEU 16 2HB LEU 16 31.673 2.260 14.227
124 HG LEU 16 HG LEU 16 32.973 0.761 15.613
125 HD11 LEU 16 1HD1 LEU 16 33.996 -0.526 13.956
126 HD12 LEU 16 2HD1 LEU 16 34.597 0.888 13.090
127 HD13 LEU 16 3HD1 LEU 16 32.884 0.475 13.022
128 HD21 LEU 16 1HD2 LEU 16 34.693 2.673 16.091
129 HD22 LEU 16 2HD2 LEU 16 35.541 2.016 14.692
130 HD23 LEU 16 3HD2 LEU 16 35.241 0.997 16.101
131 H LEU 17 H LEU 17 31.068 3.907 12.209
132 HA LEU 17 HA LEU 17 31.051 1.875 10.257
133 HB2 LEU 17 1HB LEU 17 29.778 4.613 10.032
134 HB3 LEU 17 2HB LEU 17 29.350 3.180 9.103
135 HG LEU 17 HG LEU 17 29.170 3.380 12.123
136 HD11 LEU 17 1HD1 LEU 17 27.032 3.529 9.975
137 HD12 LEU 17 2HD1 LEU 17 27.512 4.832 11.061
138 HD13 LEU 17 3HD1 LEU 17 26.710 3.399 11.705
139 HD21 LEU 17 1HD2 LEU 17 28.518 1.250 10.087
140 HD22 LEU 17 2HD2 LEU 17 27.683 1.299 11.639
141 HD23 LEU 17 3HD2 LEU 17 29.434 1.095 11.586
142 H LEU 18 H LEU 18 32.432 5.139 10.182
143 HA LEU 18 HA LEU 18 33.207 5.162 7.475
144 HB2 LEU 18 1HB LEU 18 33.329 7.119 9.033
145 HB3 LEU 18 2HB LEU 18 34.752 6.382 9.769
146 HG LEU 18 HG LEU 18 35.765 6.297 7.435
147 HD11 LEU 18 1HD1 LEU 18 33.261 7.892 6.935
148 HD12 LEU 18 2HD1 LEU 18 33.954 6.590 5.969
149 HD13 LEU 18 3HD1 LEU 18 34.707 8.185 5.970
150 HD21 LEU 18 1HD2 LEU 18 36.585 7.948 8.959
151 HD22 LEU 18 2HD2 LEU 18 35.110 8.907 8.821
152 HD23 LEU 18 3HD2 LEU 18 36.233 8.815 7.463
153 H LEU 19 H LEU 19 34.773 3.742 10.320
154 HA LEU 19 HA LEU 19 37.170 2.937 9.084
155 HB2 LEU 19 1HB LEU 19 36.680 2.787 11.537
156 HB3 LEU 19 2HB LEU 19 35.668 1.383 11.198
157 HG LEU 19 HG LEU 19 37.691 0.363 10.031
158 HD11 LEU 19 1HD1 LEU 19 39.074 2.292 9.697
159 HD12 LEU 19 2HD1 LEU 19 39.886 1.314 10.919
160 HD13 LEU 19 3HD1 LEU 19 38.969 2.742 11.400
161 HD21 LEU 19 1HD2 LEU 19 38.794 -0.195 12.260
162 HD22 LEU 19 2HD2 LEU 19 37.054 -0.475 12.190
163 HD23 LEU 19 3HD2 LEU 19 37.686 0.959 13.001
164 H ALA 20 H ALA 20 33.965 1.445 9.090
165 HA ALA 20 HA ALA 20 34.638 -0.963 7.793
166 HB1 ALA 20 1HB ALA 20 32.351 -1.232 7.383
167 HB2 ALA 20 2HB ALA 20 32.082 0.501 7.197
168 HB3 ALA 20 3HB ALA 20 32.373 -0.179 8.798
169 H CYS 21 H CYS 21 33.852 2.237 6.490
170 HA CYS 21 HA CYS 21 33.948 1.574 3.756
171 HB2 CYS 21 1HB CYS 21 34.778 4.174 5.064
172 HB3 CYS 21 2HB CYS 21 34.374 3.951 3.363
173 HG CYS 21 HG CYS 21 32.010 2.972 4.774
174 H ILE 22 H ILE 22 36.533 2.401 6.041
175 HA ILE 22 HA ILE 22 38.634 2.606 4.174
176 HB ILE 22 HB ILE 22 38.818 1.526 6.994
177 HG12 ILE 22 1HG1 ILE 22 37.675 3.692 7.003
178 HG13 ILE 22 2HG1 ILE 22 39.302 3.864 7.648
179 HG21 ILE 22 1HG2 ILE 22 40.904 1.151 6.003
180 HG22 ILE 22 2HG2 ILE 22 41.110 2.742 6.736
181 HG23 ILE 22 3HG2 ILE 22 40.800 2.602 5.006
182 HD11 ILE 22 1HD1 ILE 22 40.065 4.683 5.415
183 HD12 ILE 22 2HD1 ILE 22 38.822 5.710 6.123
184 HD13 ILE 22 3HD1 ILE 22 38.400 4.579 4.840
185 H PHE 23 H PHE 23 37.218 -0.236 5.779
186 HA PHE 23 HA PHE 23 39.085 -2.123 4.853
187 HB2 PHE 23 1HB PHE 23 36.160 -2.359 5.498
188 HB3 PHE 23 2HB PHE 23 37.090 -3.734 4.936
189 HD1 PHE 23 HD1 PHE 23 36.536 -1.371 7.699
190 HD2 PHE 23 HD2 PHE 23 38.818 -4.744 6.336
191 HE1 PHE 23 HE1 PHE 23 37.322 -1.775 10.017
192 HE2 PHE 23 HE2 PHE 23 39.605 -5.148 8.652
193 HZ PHE 23 HZ PHE 23 38.856 -3.664 10.493
194 H LEU 24 H LEU 24 36.185 -0.820 3.245
195 HA LEU 24 HA LEU 24 36.396 -2.357 0.903
196 HB2 LEU 24 1HB LEU 24 35.275 0.384 1.420
197 HB3 LEU 24 2HB LEU 24 35.290 -0.310 -0.200
198 HG LEU 24 HG LEU 24 34.192 -2.379 0.847
199 HD11 LEU 24 1HD1 LEU 24 32.791 -1.569 2.922
200 HD12 LEU 24 2HD1 LEU 24 34.110 -0.418 3.120
201 HD13 LEU 24 3HD1 LEU 24 34.439 -2.149 3.155
202 HD21 LEU 24 1HD2 LEU 24 31.948 -1.325 0.762
203 HD22 LEU 24 2HD2 LEU 24 32.972 -0.773 -0.564
204 HD23 LEU 24 3HD2 LEU 24 32.703 0.266 0.836
205 H ILE 25 H ILE 25 38.069 0.639 1.811
206 HA ILE 25 HA ILE 25 39.369 1.086 -0.636
207 HB ILE 25 HB ILE 25 40.482 1.633 2.127
208 HG12 ILE 25 1HG1 ILE 25 38.864 3.437 0.304
209 HG13 ILE 25 2HG1 ILE 25 38.181 2.574 1.681
210 HG21 ILE 25 1HG2 ILE 25 41.804 3.340 1.014
211 HG22 ILE 25 2HG2 ILE 25 41.027 2.987 -0.529
212 HG23 ILE 25 3HG2 ILE 25 42.097 1.797 0.212
213 HD11 ILE 25 1HD1 ILE 25 38.708 4.708 2.552
214 HD12 ILE 25 2HD1 ILE 25 40.244 4.775 1.688
215 HD13 ILE 25 3HD1 ILE 25 40.054 3.691 3.066
216 H ALA 26 H ALA 26 40.136 -1.175 1.961
217 HA ALA 26 HA ALA 26 42.730 -1.851 1.101
218 HB1 ALA 26 1HB ALA 26 42.612 -3.664 2.593
219 HB2 ALA 26 2HB ALA 26 40.866 -3.822 2.403
220 HB3 ALA 26 3HB ALA 26 41.536 -2.460 3.303
221 H ILE 27 H ILE 27 39.644 -3.586 0.504
222 HA ILE 27 HA ILE 27 40.786 -5.493 -1.231
223 HB ILE 27 HB ILE 27 38.551 -5.739 -0.216
224 HG12 ILE 27 1HG1 ILE 27 38.331 -5.808 -3.228
225 HG13 ILE 27 2HG1 ILE 27 39.351 -6.937 -2.335
226 HG21 ILE 27 1HG2 ILE 27 37.632 -3.529 -0.450
227 HG22 ILE 27 2HG2 ILE 27 36.631 -4.620 -1.405
228 HG23 ILE 27 3HG2 ILE 27 37.809 -3.580 -2.205
229 HD11 ILE 27 1HD1 ILE 27 37.441 -7.742 -1.065
230 HD12 ILE 27 2HD1 ILE 27 37.059 -7.838 -2.785
231 HD13 ILE 27 3HD1 ILE 27 36.395 -6.530 -1.805
232 H LEU 28 H LEU 28 39.633 -2.209 -1.853
233 HA LEU 28 HA LEU 28 39.718 -2.273 -4.665
234 HB2 LEU 28 1HB LEU 28 38.816 -0.395 -3.299
235 HB3 LEU 28 2HB LEU 28 40.469 0.043 -2.867
236 HG LEU 28 HG LEU 28 40.965 0.216 -5.346
237 HD11 LEU 28 1HD1 LEU 28 39.241 -1.035 -6.367
238 HD12 LEU 28 2HD1 LEU 28 38.797 0.640 -6.699
239 HD13 LEU 28 3HD1 LEU 28 37.986 -0.248 -5.409
240 HD21 LEU 28 1HD2 LEU 28 40.634 2.250 -4.109
241 HD22 LEU 28 2HD2 LEU 28 38.889 2.004 -4.054
242 HD23 LEU 28 3HD2 LEU 28 39.675 2.399 -5.582
243 H ALA 29 H ALA 29 42.299 -1.839 -2.274
244 HA ALA 29 HA ALA 29 44.383 -1.218 -4.053
245 HB1 ALA 29 1HB ALA 29 44.511 -1.117 -1.552
246 HB2 ALA 29 2HB ALA 29 45.886 -1.926 -2.302
247 HB3 ALA 29 3HB ALA 29 44.615 -2.877 -1.535
248 H ALA 30 H ALA 30 43.075 -4.341 -3.012
249 HA ALA 30 HA ALA 30 44.939 -5.988 -4.338
250 HB1 ALA 30 1HB ALA 30 43.167 -7.717 -4.281
251 HB2 ALA 30 2HB ALA 30 42.001 -6.483 -3.803
252 HB3 ALA 30 3HB ALA 30 43.340 -6.893 -2.731
253 H SER 31 H SER 31 41.930 -4.495 -5.488
254 HA SER 31 HA SER 31 41.882 -5.623 -8.053
255 HB2 SER 31 1HB SER 31 40.053 -4.255 -7.044
256 HB3 SER 31 2HB SER 31 41.035 -2.818 -7.310
257 HG SER 31 HG SER 31 39.965 -2.906 -9.159
258 H ALA 32 H ALA 32 43.655 -2.797 -6.833
259 HA ALA 32 HA ALA 32 44.627 -1.884 -9.308
260 HB1 ALA 32 1HB ALA 32 46.434 -0.827 -7.983
261 HB2 ALA 32 2HB ALA 32 45.928 -1.765 -6.576
262 HB3 ALA 32 3HB ALA 32 44.844 -0.559 -7.269
263 H LEU 33 H LEU 33 45.896 -4.323 -7.056
264 HA LEU 33 HA LEU 33 48.313 -4.834 -8.413
265 HB2 LEU 33 1HB LEU 33 46.613 -6.787 -6.843
266 HB3 LEU 33 2HB LEU 33 48.318 -6.987 -7.246
267 HG LEU 33 HG LEU 33 47.196 -4.699 -5.601
268 HD11 LEU 33 1HD1 LEU 33 47.002 -6.744 -4.328
269 HD12 LEU 33 2HD1 LEU 33 48.415 -5.875 -3.729
270 HD13 LEU 33 3HD1 LEU 33 48.620 -7.254 -4.809
271 HD21 LEU 33 1HD2 LEU 33 49.205 -3.952 -6.617
272 HD22 LEU 33 2HD2 LEU 33 49.969 -5.534 -6.463
273 HD23 LEU 33 3HD2 LEU 33 49.717 -4.534 -5.034
274 H TRP 34 H TRP 34 45.045 -6.153 -8.904
275 HA TRP 34 HA TRP 34 45.714 -7.986 -10.938
276 HB2 TRP 34 1HB TRP 34 43.203 -6.441 -10.373
277 HB3 TRP 34 2HB TRP 34 43.332 -7.500 -11.762
278 HD1 TRP 34 HD1 TRP 34 42.337 -7.504 -8.251
279 HE1 TRP 34 HE1 TRP 34 42.133 -9.909 -7.347
280 HE3 TRP 34 HE3 TRP 34 44.707 -10.054 -11.986
281 HZ2 TRP 34 HZ2 TRP 34 42.880 -12.567 -8.106
282 HZ3 TRP 34 HZ3 TRP 34 44.948 -12.515 -11.871
283 HH2 TRP 34 HH2 TRP 34 44.039 -13.776 -9.941
284 H ALA 35 H ALA 35 45.258 -4.493 -11.055
285 HA ALA 35 HA ALA 35 45.269 -4.168 -13.850
286 HB1 ALA 35 1HB ALA 35 44.944 -2.412 -11.954
287 HB2 ALA 35 2HB ALA 35 45.718 -1.909 -13.456
288 HB3 ALA 35 3HB ALA 35 46.698 -2.251 -12.031
289 H ALA 36 H ALA 36 47.943 -4.434 -11.538
290 HA ALA 36 HA ALA 36 50.064 -4.257 -13.385
291 HB1 ALA 36 1HB ALA 36 50.052 -4.417 -10.762
292 HB2 ALA 36 2HB ALA 36 51.432 -5.018 -11.680
293 HB3 ALA 36 3HB ALA 36 50.222 -6.146 -11.069
294 H ALA 37 H ALA 37 48.050 -7.005 -12.434
295 HA ALA 37 HA ALA 37 49.423 -9.048 -13.752
296 HB1 ALA 37 1HB ALA 37 47.321 -9.100 -12.196
297 HB2 ALA 37 2HB ALA 37 47.533 -10.350 -13.421
298 HB3 ALA 37 3HB ALA 37 46.428 -9.007 -13.715
299 H TRP 38 H TRP 38 47.178 -6.659 -15.060
300 HA TRP 38 HA TRP 38 46.688 -7.756 -17.559
301 HB2 TRP 38 1HB TRP 38 45.713 -5.651 -16.618
302 HB3 TRP 38 2HB TRP 38 47.213 -4.837 -17.020
303 HD1 TRP 38 HD1 TRP 38 44.138 -6.447 -18.612
304 HE1 TRP 38 HE1 TRP 38 43.940 -5.623 -21.045
305 HE3 TRP 38 HE3 TRP 38 48.541 -3.897 -19.041
306 HZ2 TRP 38 HZ2 TRP 38 45.450 -4.082 -22.929
307 HZ3 TRP 38 HZ3 TRP 38 49.135 -2.761 -21.159
308 HH2 TRP 38 HH2 TRP 38 47.599 -2.850 -23.102
309 H HIS 39 H HIS 39 49.668 -6.309 -16.394
310 HA HIS 39 HA HIS 39 50.960 -5.800 -18.823
311 HB2 HIS 39 1HB HIS 39 52.059 -6.760 -16.183
312 HB3 HIS 39 2HB HIS 39 53.064 -6.267 -17.532
313 HD1 HIS 39 HD1 HIS 39 52.297 -3.681 -18.429
314 HD2 HIS 39 HD2 HIS 39 51.649 -4.694 -14.437
315 HE1 HIS 39 HE1 HIS 39 52.049 -1.500 -17.169
316 H GLY 40 H GLY 40 52.219 -7.043 -20.195
317 HA2 GLY 40 1HA GLY 40 51.555 -9.712 -20.677
318 HA3 GLY 40 2HA GLY 40 53.016 -8.922 -21.266
319 H GLN 41 H GLN 41 52.631 -11.683 -20.237
320 HA GLN 41 HA GLN 41 53.518 -12.012 -17.611
321 HB2 GLN 41 1HB GLN 41 52.607 -13.806 -19.094
322 HB3 GLN 41 2HB GLN 41 54.157 -13.834 -19.936
323 HG2 GLN 41 1HG GLN 41 55.310 -14.385 -17.842
324 HG3 GLN 41 2HG GLN 41 53.785 -14.309 -16.965
325 HE21 GLN 41 1HE2 GLN 41 55.117 -16.695 -16.767
326 HE22 GLN 41 2HE2 GLN 41 54.375 -17.889 -17.719
327 H LYS 42 H LYS 42 55.340 -11.211 -20.476
328 HA LYS 42 HA LYS 42 57.602 -11.139 -20.914
329 HB2 LYS 42 1HB LYS 42 58.609 -9.267 -19.685
330 HB3 LYS 42 2HB LYS 42 56.973 -8.918 -20.229
331 HG2 LYS 42 1HG LYS 42 56.177 -9.588 -17.908
332 HG3 LYS 42 2HG LYS 42 57.871 -9.615 -17.421
333 HD2 LYS 42 1HD LYS 42 56.659 -7.211 -18.778
334 HD3 LYS 42 2HD LYS 42 56.570 -7.428 -17.030
335 HE2 LYS 42 1HE LYS 42 58.903 -7.304 -16.769
336 HE3 LYS 42 2HE LYS 42 59.206 -7.663 -18.468
337 HZ1 LYS 42 1HZ LYS 42 58.348 -5.534 -19.086
338 HZ2 LYS 42 2HZ LYS 42 59.530 -5.303 -17.887
339 HZ3 LYS 42 3HZ LYS 42 57.881 -5.194 -17.491
340 HA PRO 43 HA PRO 43 58.839 -14.145 -17.452
341 HB2 PRO 43 1HB PRO 43 59.830 -15.687 -19.800
342 HB3 PRO 43 2HB PRO 43 58.944 -16.249 -18.368
343 HG2 PRO 43 1HG PRO 43 57.777 -16.036 -20.755
344 HG3 PRO 43 2HG PRO 43 56.906 -15.709 -19.246
345 HD2 PRO 43 1HD PRO 43 57.934 -13.779 -21.276
346 HD3 PRO 43 2HD PRO 43 56.503 -13.670 -20.228
347 H GLY 44 H GLY 44 60.914 -14.308 -16.626
348 HA2 GLY 44 1HA GLY 44 62.801 -12.390 -17.366
349 HA3 GLY 44 2HA GLY 44 63.131 -13.773 -16.328
350 H THR 45 H THR 45 64.705 -12.441 -18.514
351 HA THR 45 HA THR 45 64.885 -14.038 -20.802
352 HB THR 45 HB THR 45 67.174 -12.652 -19.388
353 HG1 THR 45 HG1 THR 45 65.863 -11.023 -19.746
354 HG21 THR 45 1HG2 THR 45 68.010 -14.046 -21.138
355 HG22 THR 45 2HG2 THR 45 67.938 -12.417 -21.810
356 HG23 THR 45 3HG2 THR 45 66.692 -13.595 -22.220
357 H HIS 46 H HIS 46 66.075 -15.852 -21.334
358 HA HIS 46 HA HIS 46 66.403 -17.852 -19.404
359 HB2 HIS 46 1HB HIS 46 66.186 -18.253 -21.837
360 HB3 HIS 46 2HB HIS 46 67.797 -17.603 -22.072
361 HD1 HIS 46 HD1 HIS 46 66.183 -20.375 -19.993
362 HD2 HIS 46 HD2 HIS 46 69.687 -19.601 -22.115
363 HE1 HIS 46 HE1 HIS 46 67.571 -22.489 -19.877