Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
455669 | 2ksg RC | 16817 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 1HT SER 1 10.063 12.998 -5.235
2 H2 SER 1 2HT SER 1 11.131 12.287 -4.130
3 H3 SER 1 3HT SER 1 10.015 11.322 -4.973
4 HA SER 1 HA SER 1 11.090 11.807 -7.044
5 HB2 SER 1 2HB SER 1 11.893 14.072 -6.392
6 HB3 SER 1 1HB SER 1 13.101 13.322 -5.350
7 HG SER 1 HG SER 1 14.308 13.269 -7.060
8 H SER 2 H SER 2 11.345 9.625 -7.069
9 HA SER 2 HA SER 2 13.789 8.606 -5.803
10 HB2 SER 2 2HB SER 2 12.387 6.376 -5.689
11 HB3 SER 2 1HB SER 2 12.218 7.594 -4.423
12 HG SER 2 HG SER 2 10.461 6.938 -6.529
13 H LEU 3 H LEU 3 15.005 8.646 -7.632
14 HA LEU 3 HA LEU 3 13.922 7.669 -10.131
15 HB2 LEU 3 2HB LEU 3 16.599 8.857 -9.410
16 HB3 LEU 3 1HB LEU 3 16.205 8.286 -11.015
17 HG LEU 3 HG LEU 3 15.939 10.624 -11.075
18 HD11 LEU 3 1HD1 LEU 3 13.558 10.934 -11.518
19 HD12 LEU 3 2HD1 LEU 3 13.213 9.398 -10.721
20 HD13 LEU 3 3HD1 LEU 3 14.169 9.428 -12.203
21 HD21 LEU 3 3HD2 LEU 3 15.901 11.071 -8.689
22 HD22 LEU 3 1HD2 LEU 3 14.269 10.414 -8.575
23 HD23 LEU 3 2HD2 LEU 3 14.565 11.889 -9.497
24 H LEU 4 H LEU 4 16.502 6.744 -7.868
25 HA LEU 4 HA LEU 4 16.583 4.126 -9.208
26 HB2 LEU 4 2HB LEU 4 18.935 5.759 -8.250
27 HB3 LEU 4 1HB LEU 4 19.042 4.047 -8.603
28 HG LEU 4 HG LEU 4 18.125 4.781 -10.957
29 HD11 LEU 4 1HD1 LEU 4 17.728 7.112 -10.361
30 HD12 LEU 4 2HD1 LEU 4 18.943 6.976 -11.633
31 HD13 LEU 4 3HD1 LEU 4 19.438 7.309 -9.974
32 HD21 LEU 4 3HD2 LEU 4 20.963 5.253 -10.059
33 HD22 LEU 4 1HD2 LEU 4 20.436 5.023 -11.726
34 HD23 LEU 4 2HD2 LEU 4 20.270 3.710 -10.560
35 H GLU 5 H GLU 5 18.227 2.762 -7.617
36 HA GLU 5 HA GLU 5 16.766 1.998 -5.407
37 HB2 GLU 5 2HB GLU 5 18.958 0.994 -4.604
38 HB3 GLU 5 1HB GLU 5 18.444 0.530 -6.221
39 HG2 GLU 5 2HG GLU 5 20.029 1.974 -7.234
40 HG3 GLU 5 1HG GLU 5 20.395 2.754 -5.697
41 H LYS 6 H LYS 6 19.447 4.313 -5.575
42 HA LYS 6 HA LYS 6 19.323 4.833 -2.735
43 HB2 LYS 6 2HB LYS 6 20.959 6.144 -4.912
44 HB3 LYS 6 1HB LYS 6 21.155 6.428 -3.189
45 HG2 LYS 6 2HG LYS 6 21.774 4.083 -2.870
46 HG3 LYS 6 1HG LYS 6 21.573 3.799 -4.598
47 HD2 LYS 6 2HD LYS 6 23.329 5.437 -5.069
48 HD3 LYS 6 1HD LYS 6 23.538 5.707 -3.341
49 HE2 LYS 6 2HE LYS 6 25.249 4.200 -4.172
50 HE3 LYS 6 1HE LYS 6 24.174 3.351 -3.063
51 HZ1 LYS 6 3HZ LYS 6 23.141 2.222 -4.826
52 HZ2 LYS 6 1HZ LYS 6 24.799 2.156 -5.183
53 HZ3 LYS 6 2HZ LYS 6 23.794 3.253 -5.999
54 H GLY 7 H GLY 7 17.233 5.588 -4.959
55 HA2 GLY 7 2HA GLY 7 16.947 8.433 -4.340
56 HA3 GLY 7 1HA GLY 7 15.968 7.508 -5.477
57 H LEU 8 H LEU 8 16.067 5.494 -3.035
58 HA LEU 8 HA LEU 8 13.531 6.391 -1.952
59 HB2 LEU 8 2HB LEU 8 15.106 3.842 -1.724
60 HB3 LEU 8 1HB LEU 8 13.724 4.150 -0.695
61 HG LEU 8 HG LEU 8 12.931 2.804 -2.462
62 HD11 LEU 8 1HD1 LEU 8 11.336 4.231 -3.632
63 HD12 LEU 8 2HD1 LEU 8 12.243 5.656 -3.128
64 HD13 LEU 8 3HD1 LEU 8 11.448 4.645 -1.922
65 HD21 LEU 8 3HD2 LEU 8 13.281 3.293 -4.823
66 HD22 LEU 8 1HD2 LEU 8 14.817 3.072 -3.983
67 HD23 LEU 8 2HD2 LEU 8 14.262 4.695 -4.391
68 H ASP 9 H ASP 9 13.143 6.688 0.269
69 HA ASP 9 HA ASP 9 15.388 7.987 1.556
70 HB2 ASP 9 2HB ASP 9 13.165 9.067 1.435
71 HB3 ASP 9 1HB ASP 9 12.503 7.778 2.435
72 H GLY 10 H GLY 10 13.337 5.189 2.044
73 HA2 GLY 10 2HA GLY 10 14.299 4.587 4.673
74 HA3 GLY 10 1HA GLY 10 13.385 3.511 3.625
75 H ALA 11 H ALA 11 15.861 4.472 1.757
76 HA ALA 11 HA ALA 11 17.184 1.984 1.844
77 HB1 ALA 11 1HB ALA 11 17.083 3.374 -0.163
78 HB2 ALA 11 2HB ALA 11 18.748 2.969 0.257
79 HB3 ALA 11 3HB ALA 11 18.112 4.574 0.617
80 H LYS 12 H LYS 12 17.689 4.951 3.576
81 HA LYS 12 HA LYS 12 20.384 4.242 4.384
82 HB2 LYS 12 2HB LYS 12 18.592 6.499 5.309
83 HB3 LYS 12 1HB LYS 12 20.273 6.291 5.773
84 HG2 LYS 12 2HG LYS 12 20.536 7.802 4.108
85 HG3 LYS 12 1HG LYS 12 20.625 6.328 3.151
86 HD2 LYS 12 2HD LYS 12 19.139 7.602 1.923
87 HD3 LYS 12 1HD LYS 12 18.049 6.634 2.920
88 HE2 LYS 12 2HE LYS 12 18.950 9.432 3.612
89 HE3 LYS 12 1HE LYS 12 17.451 9.062 2.768
90 HZ1 LYS 12 3HZ LYS 12 16.837 7.682 4.732
91 HZ2 LYS 12 1HZ LYS 12 16.948 9.342 5.053
92 HZ3 LYS 12 2HZ LYS 12 18.196 8.302 5.543
93 H LYS 13 H LYS 13 17.460 3.110 5.232
94 HA LYS 13 HA LYS 13 18.140 2.852 8.085
95 HB2 LYS 13 2HB LYS 13 16.192 4.285 7.701
96 HB3 LYS 13 1HB LYS 13 15.414 3.011 6.780
97 HG2 LYS 13 2HG LYS 13 16.179 2.490 9.614
98 HG3 LYS 13 1HG LYS 13 14.758 3.477 9.263
99 HD2 LYS 13 2HD LYS 13 13.955 1.612 7.782
100 HD3 LYS 13 1HD LYS 13 15.280 0.633 8.417
101 HE2 LYS 13 2HE LYS 13 13.037 1.868 10.011
102 HE3 LYS 13 1HE LYS 13 13.215 0.163 9.608
103 HZ1 LYS 13 3HZ LYS 13 15.408 0.305 10.850
104 HZ2 LYS 13 1HZ LYS 13 13.989 0.366 11.782
105 HZ3 LYS 13 2HZ LYS 13 14.852 1.789 11.459
106 H ALA 14 H ALA 14 16.641 1.224 5.311
107 HA ALA 14 HA ALA 14 16.187 -1.181 6.830
108 HB1 ALA 14 1HB ALA 14 15.191 -2.054 4.809
109 HB2 ALA 14 2HB ALA 14 15.821 -0.692 3.883
110 HB3 ALA 14 3HB ALA 14 14.598 -0.423 5.126
111 H VAL 15 H VAL 15 18.264 -0.384 4.024
112 HA VAL 15 HA VAL 15 19.245 -3.110 3.990
113 HB VAL 15 HB VAL 15 18.685 -1.742 1.919
114 HG11 VAL 15 1HG1 VAL 15 21.362 -0.504 2.525
115 HG12 VAL 15 2HG1 VAL 15 19.805 0.322 2.486
116 HG13 VAL 15 3HG1 VAL 15 20.485 -0.346 1.002
117 HG21 VAL 15 3HG2 VAL 15 21.372 -3.092 2.095
118 HG22 VAL 15 1HG2 VAL 15 20.497 -2.741 0.602
119 HG23 VAL 15 2HG2 VAL 15 19.816 -3.862 1.777
120 H GLY 16 H GLY 16 20.062 -0.508 5.796
121 HA2 GLY 16 2HA GLY 16 22.882 -1.363 5.932
122 HA3 GLY 16 1HA GLY 16 22.439 0.337 5.987
123 H GLY 17 H GLY 17 21.243 -2.610 7.592
124 HA2 GLY 17 2HA GLY 17 20.562 -1.257 9.976
125 HA3 GLY 17 1HA GLY 17 20.679 -2.996 9.779
126 H LEU 18 H LEU 18 23.367 -3.288 9.171
127 HA LEU 18 HA LEU 18 24.458 -3.204 11.803
128 HB2 LEU 18 2HB LEU 18 24.944 -4.986 10.157
129 HB3 LEU 18 1HB LEU 18 25.828 -3.828 9.186
130 HG LEU 18 HG LEU 18 27.432 -3.526 11.065
131 HD11 LEU 18 1HD1 LEU 18 27.435 -5.150 12.886
132 HD12 LEU 18 2HD1 LEU 18 25.921 -5.833 12.291
133 HD13 LEU 18 3HD1 LEU 18 25.964 -4.178 12.902
134 HD21 LEU 18 3HD2 LEU 18 28.575 -5.663 10.754
135 HD22 LEU 18 1HD2 LEU 18 27.925 -5.060 9.230
136 HD23 LEU 18 2HD2 LEU 18 27.100 -6.362 10.090
137 H GLY 19 H GLY 19 24.685 -1.147 9.022
138 HA2 GLY 19 2HA GLY 19 26.889 0.379 10.202
139 HA3 GLY 19 1HA GLY 19 26.191 0.627 8.608
140 H LYS 20 H LYS 20 23.676 0.266 10.694
141 HA LYS 20 HA LYS 20 23.128 3.115 10.573
142 HB2 LYS 20 2HB LYS 20 21.501 1.159 10.013
143 HB3 LYS 20 1HB LYS 20 21.280 1.054 11.751
144 HG2 LYS 20 2HG LYS 20 20.957 3.724 10.519
145 HG3 LYS 20 1HG LYS 20 19.725 2.522 10.155
146 HD2 LYS 20 2HD LYS 20 20.581 3.324 12.936
147 HD3 LYS 20 1HD LYS 20 19.162 3.950 12.096
148 HE2 LYS 20 2HE LYS 20 18.292 2.256 13.435
149 HE3 LYS 20 1HE LYS 20 18.467 1.490 11.859
150 HZ1 LYS 20 3HZ LYS 20 19.281 -0.019 13.470
151 HZ2 LYS 20 1HZ LYS 20 20.225 1.174 14.230
152 HZ3 LYS 20 2HZ LYS 20 20.643 0.615 12.688
153 H LEU 21 H LEU 21 25.152 2.932 12.190
154 HA LEU 21 HA LEU 21 23.939 3.687 14.743
155 HB2 LEU 21 2HB LEU 21 26.416 1.971 14.469
156 HB3 LEU 21 1HB LEU 21 25.932 2.762 15.954
157 HG LEU 21 HG LEU 21 23.695 1.392 15.537
158 HD11 LEU 21 1HD1 LEU 21 24.406 0.443 13.406
159 HD12 LEU 21 2HD1 LEU 21 24.163 -0.817 14.615
160 HD13 LEU 21 3HD1 LEU 21 25.797 -0.301 14.193
161 HD21 LEU 21 3HD2 LEU 21 25.070 1.253 17.527
162 HD22 LEU 21 1HD2 LEU 21 26.233 0.232 16.677
163 HD23 LEU 21 2HD2 LEU 21 24.602 -0.361 16.994
164 H GLY 22 H GLY 22 24.143 5.762 13.664
165 HA2 GLY 22 2HA GLY 22 25.698 7.642 14.388
166 HA3 GLY 22 1HA GLY 22 26.935 6.732 13.532
167 H LYS 23 H LYS 23 25.092 5.910 11.406
168 HA LYS 23 HA LYS 23 25.331 8.268 9.764
169 HB2 LYS 23 2HB LYS 23 24.702 6.903 7.928
170 HB3 LYS 23 1HB LYS 23 25.728 5.901 8.943
171 HG2 LYS 23 2HG LYS 23 23.846 4.702 9.787
172 HG3 LYS 23 1HG LYS 23 22.719 5.820 9.018
173 HD2 LYS 23 2HD LYS 23 24.613 3.932 7.624
174 HD3 LYS 23 1HD LYS 23 22.859 3.781 7.726
175 HE2 LYS 23 2HE LYS 23 22.550 5.769 6.421
176 HE3 LYS 23 1HE LYS 23 24.279 6.108 6.449
177 HZ1 LYS 23 3HZ LYS 23 23.735 5.162 4.352
178 HZ2 LYS 23 1HZ LYS 23 22.922 3.857 5.069
179 HZ3 LYS 23 2HZ LYS 23 24.604 3.994 5.220
180 H ASP 24 H ASP 24 22.963 6.771 11.696
181 HA ASP 24 HA ASP 24 20.634 7.818 10.441
182 HB2 ASP 24 2HB ASP 24 19.566 7.236 12.672
183 HB3 ASP 24 1HB ASP 24 20.335 5.901 11.821
184 H ALA 25 H ALA 25 20.384 9.895 10.217
185 HA ALA 25 HA ALA 25 20.380 11.647 12.530
186 HB1 ALA 25 1HB ALA 25 22.279 12.190 10.249
187 HB2 ALA 25 2HB ALA 25 22.744 11.679 11.870
188 HB3 ALA 25 3HB ALA 25 21.975 13.248 11.630
189 H VAL 26 H VAL 26 20.385 11.570 8.975
190 HA VAL 26 HA VAL 26 18.663 13.804 8.643
191 HB VAL 26 HB VAL 26 19.014 11.504 6.706
192 HG11 VAL 26 1HG1 VAL 26 18.511 13.174 5.004
193 HG12 VAL 26 2HG1 VAL 26 18.322 14.403 6.255
194 HG13 VAL 26 3HG1 VAL 26 17.197 13.046 6.176
195 HG21 VAL 26 3HG2 VAL 26 20.850 12.773 5.717
196 HG22 VAL 26 1HG2 VAL 26 21.205 12.328 7.385
197 HG23 VAL 26 2HG2 VAL 26 20.715 13.977 6.998
198 H GLU 27 H GLU 27 18.238 10.373 8.980
199 HA GLU 27 HA GLU 27 15.556 10.082 8.290
200 HB2 GLU 27 2HB GLU 27 17.141 8.597 10.401
201 HB3 GLU 27 1HB GLU 27 15.618 8.060 9.713
202 HG2 GLU 27 2HG GLU 27 17.439 6.847 8.721
203 HG3 GLU 27 1HG GLU 27 16.679 7.879 7.513
204 H ASP 28 H ASP 28 17.076 10.969 11.328
205 HA ASP 28 HA ASP 28 14.841 10.864 13.004
206 HB2 ASP 28 2HB ASP 28 17.102 10.987 13.882
207 HB3 ASP 28 1HB ASP 28 17.331 12.577 13.164
208 H LEU 29 H LEU 29 16.241 13.646 11.266
209 HA LEU 29 HA LEU 29 14.162 15.364 12.272
210 HB2 LEU 29 2HB LEU 29 15.325 17.104 10.837
211 HB3 LEU 29 1HB LEU 29 16.224 16.427 12.177
212 HG LEU 29 HG LEU 29 17.222 14.834 10.366
213 HD11 LEU 29 1HD1 LEU 29 16.301 17.147 8.671
214 HD12 LEU 29 2HD1 LEU 29 15.757 15.474 8.540
215 HD13 LEU 29 3HD1 LEU 29 17.430 15.888 8.169
216 HD21 LEU 29 3HD2 LEU 29 19.001 16.466 9.939
217 HD22 LEU 29 1HD2 LEU 29 18.502 16.459 11.631
218 HD23 LEU 29 2HD2 LEU 29 17.961 17.749 10.558
219 H GLU 30 H GLU 30 14.732 13.600 9.318
220 HA GLU 30 HA GLU 30 12.763 15.095 7.845
221 HB2 GLU 30 2HB GLU 30 14.237 12.535 7.278
222 HB3 GLU 30 1HB GLU 30 12.976 13.143 6.214
223 HG2 GLU 30 2HG GLU 30 15.495 14.608 6.963
224 HG3 GLU 30 1HG GLU 30 15.205 13.766 5.441
225 H SER 31 H SER 31 12.786 12.261 9.878
226 HA SER 31 HA SER 31 10.324 11.159 9.080
227 HB2 SER 31 2HB SER 31 11.994 10.000 10.540
228 HB3 SER 31 1HB SER 31 11.545 11.084 11.852
229 HG SER 31 HG SER 31 10.409 8.813 11.220
230 H VAL 32 H VAL 32 11.159 13.697 11.375
231 HA VAL 32 HA VAL 32 8.616 14.065 12.515
232 HB VAL 32 HB VAL 32 10.747 16.163 12.073
233 HG11 VAL 32 1HG1 VAL 32 9.736 17.295 13.980
234 HG12 VAL 32 2HG1 VAL 32 8.504 16.037 14.087
235 HG13 VAL 32 3HG1 VAL 32 8.568 17.091 12.674
236 HG21 VAL 32 3HG2 VAL 32 11.528 15.603 14.319
237 HG22 VAL 32 1HG2 VAL 32 11.642 14.213 13.242
238 HG23 VAL 32 2HG2 VAL 32 10.332 14.310 14.418
239 H GLY 33 H GLY 33 10.191 15.690 9.769
240 HA2 GLY 33 2HA GLY 33 8.019 17.384 9.136
241 HA3 GLY 33 1HA GLY 33 9.341 16.966 8.058
242 H LYS 34 H LYS 34 8.820 14.110 8.177
243 HA LYS 34 HA LYS 34 6.675 14.009 6.228
244 HB2 LYS 34 2HB LYS 34 8.744 12.029 7.161
245 HB3 LYS 34 1HB LYS 34 7.419 11.553 6.106
246 HG2 LYS 34 2HG LYS 34 8.166 12.948 4.368
247 HG3 LYS 34 1HG LYS 34 9.280 13.805 5.433
248 HD2 LYS 34 2HD LYS 34 10.756 11.983 5.537
249 HD3 LYS 34 1HD LYS 34 9.550 10.862 4.904
250 HE2 LYS 34 2HE LYS 34 9.744 11.696 2.729
251 HE3 LYS 34 1HE LYS 34 10.530 13.177 3.274
252 HZ1 LYS 34 3HZ LYS 34 11.796 10.513 3.575
253 HZ2 LYS 34 1HZ LYS 34 12.521 12.038 3.682
254 HZ3 LYS 34 2HZ LYS 34 11.999 11.464 2.181
255 H GLY 35 H GLY 35 6.445 14.219 9.345
256 HA2 GLY 35 2HA GLY 35 4.464 13.810 10.544
257 HA3 GLY 35 1HA GLY 35 4.077 12.514 9.423
258 H ALA 36 H ALA 36 6.142 13.430 12.121
259 HA ALA 36 HA ALA 36 7.345 10.967 12.623
260 HB1 ALA 36 1HB ALA 36 8.049 13.055 13.689
261 HB2 ALA 36 2HB ALA 36 7.744 11.790 14.880
262 HB3 ALA 36 3HB ALA 36 6.560 13.073 14.634
263 H VAL 37 H VAL 37 4.130 12.059 13.229
264 HA VAL 37 HA VAL 37 3.259 10.300 15.199
265 HB VAL 37 HB VAL 37 1.703 11.297 12.803
266 HG11 VAL 37 1HG1 VAL 37 0.589 9.433 13.891
267 HG12 VAL 37 2HG1 VAL 37 -0.280 10.936 14.200
268 HG13 VAL 37 3HG1 VAL 37 0.741 10.232 15.455
269 HG21 VAL 37 3HG2 VAL 37 2.004 12.472 15.568
270 HG22 VAL 37 1HG2 VAL 37 0.920 13.068 14.309
271 HG23 VAL 37 2HG2 VAL 37 2.666 13.133 14.074
272 H HIS 38 H HIS 38 3.364 9.881 11.672
273 HA HIS 38 HA HIS 38 2.217 7.294 11.668
274 HB2 HIS 38 2HB HIS 38 2.192 8.631 9.642
275 HB3 HIS 38 1HB HIS 38 3.952 8.664 9.602
276 HD1 HIS 38 1HD HIS 38 4.691 7.248 7.710
277 HD2 HIS 38 2HD HIS 38 1.489 5.536 9.753
278 HE1 HIS 38 1HE HIS 38 4.297 5.018 6.617
279 HE2 HIS 38 2HE HIS 38 2.386 3.976 7.888
280 H ASP 39 H ASP 39 5.527 8.454 11.918
281 HA ASP 39 HA ASP 39 6.836 6.038 11.346
282 HB2 ASP 39 2HB ASP 39 7.930 8.292 11.519
283 HB3 ASP 39 1HB ASP 39 7.801 8.164 13.271
284 H VAL 40 H VAL 40 6.081 7.455 14.539
285 HA VAL 40 HA VAL 40 6.861 5.131 15.962
286 HB VAL 40 HB VAL 40 6.842 7.317 17.047
287 HG11 VAL 40 1HG1 VAL 40 4.752 8.393 17.732
288 HG12 VAL 40 2HG1 VAL 40 3.839 7.189 16.822
289 HG13 VAL 40 3HG1 VAL 40 4.903 8.309 15.975
290 HG21 VAL 40 3HG2 VAL 40 5.748 6.685 19.156
291 HG22 VAL 40 1HG2 VAL 40 6.690 5.366 18.463
292 HG23 VAL 40 2HG2 VAL 40 4.933 5.363 18.317
293 H LYS 41 H LYS 41 3.769 6.264 14.702
294 HA LYS 41 HA LYS 41 2.101 4.431 16.021
295 HB2 LYS 41 2HB LYS 41 1.210 6.391 14.917
296 HB3 LYS 41 1HB LYS 41 1.785 5.825 13.357
297 HG2 LYS 41 2HG LYS 41 -0.629 5.527 13.641
298 HG3 LYS 41 1HG LYS 41 0.212 3.993 13.401
299 HD2 LYS 41 2HD LYS 41 0.151 3.583 15.807
300 HD3 LYS 41 1HD LYS 41 -0.666 5.127 16.056
301 HE2 LYS 41 2HE LYS 41 -2.594 4.374 14.863
302 HE3 LYS 41 1HE LYS 41 -1.762 2.908 14.339
303 HZ1 LYS 41 3HZ LYS 41 -3.279 2.489 16.187
304 HZ2 LYS 41 1HZ LYS 41 -2.426 3.588 17.159
305 HZ3 LYS 41 2HZ LYS 41 -1.675 2.166 16.619
306 H ASP 42 H ASP 42 3.744 4.257 12.893
307 HA ASP 42 HA ASP 42 2.539 1.800 12.127
308 HB2 ASP 42 2HB ASP 42 3.571 3.537 10.588
309 HB3 ASP 42 1HB ASP 42 5.140 2.893 11.061
310 H VAL 43 H VAL 43 5.579 2.624 13.726
311 HA VAL 43 HA VAL 43 6.690 0.015 13.636
312 HB VAL 43 HB VAL 43 7.222 2.265 15.592
313 HG11 VAL 43 1HG1 VAL 43 8.805 -0.254 15.084
314 HG12 VAL 43 2HG1 VAL 43 7.900 0.127 16.549
315 HG13 VAL 43 3HG1 VAL 43 9.311 1.088 16.110
316 HG21 VAL 43 3HG2 VAL 43 9.227 2.639 14.216
317 HG22 VAL 43 1HG2 VAL 43 7.738 2.857 13.298
318 HG23 VAL 43 2HG2 VAL 43 8.683 1.380 13.107
319 H LEU 44 H LEU 44 4.543 1.643 15.909
320 HA LEU 44 HA LEU 44 4.625 -0.439 17.859
321 HB2 LEU 44 2HB LEU 44 2.598 1.756 17.433
322 HB3 LEU 44 1HB LEU 44 2.655 0.699 18.831
323 HG LEU 44 HG LEU 44 4.808 2.651 18.029
324 HD11 LEU 44 1HD1 LEU 44 2.811 2.735 20.287
325 HD12 LEU 44 2HD1 LEU 44 2.813 3.769 18.859
326 HD13 LEU 44 3HD1 LEU 44 4.127 3.883 20.031
327 HD21 LEU 44 3HD2 LEU 44 5.818 2.096 20.186
328 HD22 LEU 44 1HD2 LEU 44 5.721 0.681 19.137
329 HD23 LEU 44 2HD2 LEU 44 4.570 0.880 20.458
330 H ASP 45 H ASP 45 3.038 -0.085 14.877
331 HA ASP 45 HA ASP 45 1.008 -2.087 15.521
332 HB2 ASP 45 2HB ASP 45 0.291 -0.185 14.164
333 HB3 ASP 45 1HB ASP 45 1.530 -0.549 12.965
334 H SER 46 H SER 46 3.616 -1.572 13.165
335 HA SER 46 HA SER 46 3.680 -4.435 12.599
336 HB2 SER 46 2HB SER 46 3.789 -2.862 10.700
337 HB3 SER 46 1HB SER 46 5.257 -2.152 11.371
338 HG SER 46 HG SER 46 6.315 -4.095 11.038
339 H VAL 47 H VAL 47 4.389 -4.953 14.755
340 HA VAL 47 HA VAL 47 6.972 -4.017 15.642
341 HB VAL 47 HB VAL 47 5.230 -6.187 16.832
342 HG11 VAL 47 1HG1 VAL 47 6.499 -5.771 18.888
343 HG12 VAL 47 2HG1 VAL 47 7.509 -4.609 18.026
344 HG13 VAL 47 3HG1 VAL 47 7.547 -6.314 17.578
345 HG21 VAL 47 3HG2 VAL 47 5.394 -3.258 17.540
346 HG22 VAL 47 1HG2 VAL 47 4.448 -4.477 18.395
347 HG23 VAL 47 2HG2 VAL 47 4.042 -4.052 16.733
348 H LEU 48 H LEU 48 8.878 -5.042 15.426
349 HA LEU 48 HA LEU 48 8.928 -7.554 13.946
350 HB2 LEU 48 2HB LEU 48 11.031 -5.508 14.609
351 HB3 LEU 48 1HB LEU 48 11.457 -7.089 13.988
352 HG LEU 48 HG LEU 48 11.486 -5.560 12.166
353 HD11 LEU 48 1HD1 LEU 48 9.845 -6.526 10.658
354 HD12 LEU 48 2HD1 LEU 48 8.948 -7.175 12.031
355 HD13 LEU 48 3HD1 LEU 48 10.575 -7.762 11.681
356 HD21 LEU 48 3HD2 LEU 48 8.682 -4.771 12.937
357 HD22 LEU 48 1HD2 LEU 48 9.547 -4.229 11.499
358 HD23 LEU 48 2HD2 LEU 48 10.132 -3.779 13.100
Start of MODEL 2
1 H1 SER 1 1HT SER 1 27.105 4.897 39.003
2 H2 SER 1 2HT SER 1 25.766 4.420 39.927
3 H3 SER 1 3HT SER 1 27.216 3.555 40.036
4 HA SER 1 HA SER 1 26.784 6.356 40.885
5 HB2 SER 1 2HB SER 1 27.333 3.893 42.567
6 HB3 SER 1 1HB SER 1 26.979 5.519 43.153
7 HG SER 1 HG SER 1 25.268 3.556 42.496
8 H SER 2 H SER 2 28.591 7.259 39.987
9 HA SER 2 HA SER 2 31.070 6.817 41.277
10 HB2 SER 2 2HB SER 2 31.014 4.870 39.665
11 HB3 SER 2 1HB SER 2 30.980 6.035 38.345
12 HG SER 2 HG SER 2 33.083 5.108 39.711
13 H LEU 3 H LEU 3 32.748 7.901 39.333
14 HA LEU 3 HA LEU 3 31.574 10.562 38.964
15 HB2 LEU 3 2HB LEU 3 34.018 11.205 38.558
16 HB3 LEU 3 1HB LEU 3 33.534 10.812 40.193
17 HG LEU 3 HG LEU 3 34.494 8.499 39.802
18 HD11 LEU 3 1HD1 LEU 3 36.156 8.266 38.026
19 HD12 LEU 3 2HD1 LEU 3 35.697 9.846 37.388
20 HD13 LEU 3 3HD1 LEU 3 34.540 8.514 37.369
21 HD21 LEU 3 3HD2 LEU 3 35.637 10.197 41.116
22 HD22 LEU 3 1HD2 LEU 3 36.363 10.857 39.649
23 HD23 LEU 3 2HD2 LEU 3 36.788 9.233 40.188
24 H LEU 4 H LEU 4 31.481 7.968 37.269
25 HA LEU 4 HA LEU 4 32.724 8.913 34.803
26 HB2 LEU 4 2HB LEU 4 32.862 6.509 35.697
27 HB3 LEU 4 1HB LEU 4 31.193 6.346 35.193
28 HG LEU 4 HG LEU 4 33.402 7.096 33.276
29 HD11 LEU 4 1HD1 LEU 4 33.383 4.740 32.581
30 HD12 LEU 4 2HD1 LEU 4 32.302 4.365 33.923
31 HD13 LEU 4 3HD1 LEU 4 33.937 4.940 34.245
32 HD21 LEU 4 3HD2 LEU 4 31.148 7.631 32.512
33 HD22 LEU 4 1HD2 LEU 4 30.629 5.978 32.853
34 HD23 LEU 4 2HD2 LEU 4 31.816 6.285 31.586
35 H GLU 5 H GLU 5 29.522 7.731 35.870
36 HA GLU 5 HA GLU 5 28.344 8.560 33.365
37 HB2 GLU 5 2HB GLU 5 26.304 7.540 34.163
38 HB3 GLU 5 1HB GLU 5 27.647 6.456 34.477
39 HG2 GLU 5 2HG GLU 5 26.562 8.298 36.582
40 HG3 GLU 5 1HG GLU 5 25.870 6.708 36.278
41 H LYS 6 H LYS 6 28.393 9.657 36.695
42 HA LYS 6 HA LYS 6 26.646 11.900 35.934
43 HB2 LYS 6 2HB LYS 6 27.216 10.721 38.658
44 HB3 LYS 6 1HB LYS 6 26.229 12.149 38.375
45 HG2 LYS 6 2HG LYS 6 24.673 10.799 37.045
46 HG3 LYS 6 1HG LYS 6 25.658 9.371 37.365
47 HD2 LYS 6 2HD LYS 6 23.716 9.497 38.866
48 HD3 LYS 6 1HD LYS 6 25.242 9.585 39.747
49 HE2 LYS 6 2HE LYS 6 25.034 11.966 39.984
50 HE3 LYS 6 1HE LYS 6 23.607 11.989 38.951
51 HZ1 LYS 6 3HZ LYS 6 23.128 12.127 41.357
52 HZ2 LYS 6 1HZ LYS 6 23.753 10.564 41.551
53 HZ3 LYS 6 2HZ LYS 6 22.371 10.817 40.597
54 H GLY 7 H GLY 7 29.825 11.083 36.571
55 HA2 GLY 7 2HA GLY 7 30.587 13.531 37.897
56 HA3 GLY 7 1HA GLY 7 31.679 12.294 37.286
57 H LEU 8 H LEU 8 31.295 12.145 34.698
58 HA LEU 8 HA LEU 8 32.164 14.724 33.737
59 HB2 LEU 8 2HB LEU 8 31.999 11.990 32.509
60 HB3 LEU 8 1HB LEU 8 32.265 13.398 31.504
61 HG LEU 8 HG LEU 8 34.381 12.383 31.942
62 HD11 LEU 8 1HD1 LEU 8 35.582 14.206 33.044
63 HD12 LEU 8 2HD1 LEU 8 34.050 14.846 33.642
64 HD13 LEU 8 3HD1 LEU 8 34.371 14.803 31.907
65 HD21 LEU 8 3HD2 LEU 8 35.266 12.066 34.195
66 HD22 LEU 8 1HD2 LEU 8 33.802 11.116 33.939
67 HD23 LEU 8 2HD2 LEU 8 33.733 12.606 34.879
68 H ASP 9 H ASP 9 30.698 16.202 33.274
69 HA ASP 9 HA ASP 9 28.002 15.576 32.566
70 HB2 ASP 9 2HB ASP 9 28.662 17.670 33.743
71 HB3 ASP 9 1HB ASP 9 29.460 18.210 32.271
72 H GLY 10 H GLY 10 30.896 15.671 30.854
73 HA2 GLY 10 2HA GLY 10 30.130 16.473 28.287
74 HA3 GLY 10 1HA GLY 10 31.399 15.310 28.643
75 H ALA 11 H ALA 11 29.389 13.571 30.048
76 HA ALA 11 HA ALA 11 28.624 11.954 27.845
77 HB1 ALA 11 1HB ALA 11 27.658 11.828 30.704
78 HB2 ALA 11 2HB ALA 11 29.105 11.040 30.073
79 HB3 ALA 11 3HB ALA 11 27.513 10.550 29.493
80 H LYS 12 H LYS 12 27.126 14.555 29.535
81 HA LYS 12 HA LYS 12 24.480 14.016 28.426
82 HB2 LYS 12 2HB LYS 12 25.360 16.440 29.997
83 HB3 LYS 12 1HB LYS 12 23.721 15.850 29.762
84 HG2 LYS 12 2HG LYS 12 25.861 14.421 31.327
85 HG3 LYS 12 1HG LYS 12 24.589 15.423 32.026
86 HD2 LYS 12 2HD LYS 12 22.898 13.917 31.104
87 HD3 LYS 12 1HD LYS 12 24.172 12.917 30.400
88 HE2 LYS 12 2HE LYS 12 23.341 11.971 32.504
89 HE3 LYS 12 1HE LYS 12 25.040 12.429 32.623
90 HZ1 LYS 12 3HZ LYS 12 24.387 14.459 33.757
91 HZ2 LYS 12 1HZ LYS 12 23.786 13.111 34.588
92 HZ3 LYS 12 2HZ LYS 12 22.748 14.041 33.624
93 H LYS 13 H LYS 13 27.153 16.289 28.169
94 HA LYS 13 HA LYS 13 25.978 18.029 26.280
95 HB2 LYS 13 2HB LYS 13 27.970 18.575 27.663
96 HB3 LYS 13 1HB LYS 13 28.917 17.445 26.709
97 HG2 LYS 13 2HG LYS 13 29.329 19.710 25.977
98 HG3 LYS 13 1HG LYS 13 28.495 18.812 24.703
99 HD2 LYS 13 2HD LYS 13 26.354 19.806 25.507
100 HD3 LYS 13 1HD LYS 13 27.290 20.796 26.630
101 HE2 LYS 13 2HE LYS 13 28.491 21.790 24.739
102 HE3 LYS 13 1HE LYS 13 27.544 20.806 23.625
103 HZ1 LYS 13 3HZ LYS 13 26.585 22.994 25.375
104 HZ2 LYS 13 1HZ LYS 13 25.531 21.915 24.601
105 HZ3 LYS 13 2HZ LYS 13 26.547 22.924 23.685
106 H ALA 14 H ALA 14 27.391 14.903 25.996
107 HA ALA 14 HA ALA 14 28.050 14.888 23.267
108 HB1 ALA 14 1HB ALA 14 27.052 12.622 24.986
109 HB2 ALA 14 2HB ALA 14 28.732 13.122 24.803
110 HB3 ALA 14 3HB ALA 14 27.858 12.452 23.424
111 H VAL 15 H VAL 15 25.010 14.842 24.904
112 HA VAL 15 HA VAL 15 23.564 14.152 22.459
113 HB VAL 15 HB VAL 15 22.456 14.839 25.189
114 HG11 VAL 15 1HG1 VAL 15 20.888 15.203 23.339
115 HG12 VAL 15 2HG1 VAL 15 20.382 13.866 24.369
116 HG13 VAL 15 3HG1 VAL 15 21.134 13.538 22.809
117 HG21 VAL 15 3HG2 VAL 15 22.112 12.437 25.484
118 HG22 VAL 15 1HG2 VAL 15 23.822 12.817 25.286
119 HG23 VAL 15 2HG2 VAL 15 22.911 12.129 23.942
120 H GLY 16 H GLY 16 23.674 16.757 24.882
121 HA2 GLY 16 2HA GLY 16 22.226 18.584 23.184
122 HA3 GLY 16 1HA GLY 16 22.938 18.950 24.747
123 H GLY 17 H GLY 17 24.583 17.612 21.939
124 HA2 GLY 17 2HA GLY 17 26.144 20.116 21.762
125 HA3 GLY 17 1HA GLY 17 26.846 18.521 21.522
126 H LEU 18 H LEU 18 25.063 17.287 19.899
127 HA LEU 18 HA LEU 18 25.227 18.906 17.464
128 HB2 LEU 18 2HB LEU 18 25.183 16.896 16.207
129 HB3 LEU 18 1HB LEU 18 26.311 16.643 17.521
130 HG LEU 18 HG LEU 18 23.466 15.639 17.572
131 HD11 LEU 18 1HD1 LEU 18 24.649 14.619 15.705
132 HD12 LEU 18 2HD1 LEU 18 24.385 13.449 16.997
133 HD13 LEU 18 3HD1 LEU 18 25.978 14.173 16.775
134 HD21 LEU 18 3HD2 LEU 18 25.894 14.934 19.215
135 HD22 LEU 18 1HD2 LEU 18 24.319 14.148 19.323
136 HD23 LEU 18 2HD2 LEU 18 24.490 15.848 19.764
137 H GLY 19 H GLY 19 23.046 18.101 19.798
138 HA2 GLY 19 2HA GLY 19 20.725 17.429 18.342
139 HA3 GLY 19 1HA GLY 19 20.761 18.121 19.959
140 H LYS 20 H LYS 20 21.799 20.562 19.646
141 HA LYS 20 HA LYS 20 19.658 22.042 18.624
142 HB2 LYS 20 2HB LYS 20 21.334 24.017 18.836
143 HB3 LYS 20 1HB LYS 20 20.790 23.183 20.278
144 HG2 LYS 20 2HG LYS 20 23.046 23.427 20.661
145 HG3 LYS 20 1HG LYS 20 22.956 21.795 20.011
146 HD2 LYS 20 2HD LYS 20 24.815 22.956 19.013
147 HD3 LYS 20 1HD LYS 20 23.574 22.681 17.789
148 HE2 LYS 20 2HE LYS 20 22.792 24.990 18.090
149 HE3 LYS 20 1HE LYS 20 24.052 25.254 19.294
150 HZ1 LYS 20 3HZ LYS 20 24.648 26.099 17.077
151 HZ2 LYS 20 1HZ LYS 20 24.556 24.522 16.458
152 HZ3 LYS 20 2HZ LYS 20 25.725 24.904 17.622
153 H LEU 21 H LEU 21 19.088 22.528 16.672
154 HA LEU 21 HA LEU 21 19.111 23.093 14.484
155 HB2 LEU 21 2HB LEU 21 22.094 23.368 14.828
156 HB3 LEU 21 1HB LEU 21 21.213 23.798 13.375
157 HG LEU 21 HG LEU 21 20.875 25.087 16.086
158 HD11 LEU 21 1HD1 LEU 21 22.976 25.700 15.049
159 HD12 LEU 21 2HD1 LEU 21 21.851 27.059 14.995
160 HD13 LEU 21 3HD1 LEU 21 22.146 26.096 13.545
161 HD21 LEU 21 3HD2 LEU 21 19.427 26.677 14.927
162 HD22 LEU 21 1HD2 LEU 21 18.779 25.039 14.836
163 HD23 LEU 21 2HD2 LEU 21 19.588 25.746 13.437
164 H GLY 22 H GLY 22 21.292 20.618 15.592
165 HA2 GLY 22 2HA GLY 22 21.744 19.331 13.113
166 HA3 GLY 22 1HA GLY 22 21.905 18.596 14.701
167 H LYS 23 H LYS 23 19.302 18.782 15.650
168 HA LYS 23 HA LYS 23 17.975 16.879 13.873
169 HB2 LYS 23 2HB LYS 23 16.511 16.361 15.758
170 HB3 LYS 23 1HB LYS 23 18.196 16.215 16.216
171 HG2 LYS 23 2HG LYS 23 17.182 17.225 18.048
172 HG3 LYS 23 1HG LYS 23 17.952 18.563 17.200
173 HD2 LYS 23 2HD LYS 23 15.842 19.231 16.242
174 HD3 LYS 23 1HD LYS 23 15.044 17.808 16.909
175 HE2 LYS 23 2HE LYS 23 15.340 18.610 19.142
176 HE3 LYS 23 1HE LYS 23 16.355 19.940 18.583
177 HZ1 LYS 23 3HZ LYS 23 13.965 20.492 19.116
178 HZ2 LYS 23 1HZ LYS 23 13.531 19.631 17.721
179 HZ3 LYS 23 2HZ LYS 23 14.527 21.004 17.599
180 H ASP 24 H ASP 24 17.908 20.154 14.587
181 HA ASP 24 HA ASP 24 15.097 20.594 14.490
182 HB2 ASP 24 2HB ASP 24 17.460 22.455 14.331
183 HB3 ASP 24 1HB ASP 24 15.802 23.032 14.182
184 H ALA 25 H ALA 25 17.142 19.661 12.101
185 HA ALA 25 HA ALA 25 16.181 21.227 9.926
186 HB1 ALA 25 1HB ALA 25 17.184 19.502 8.514
187 HB2 ALA 25 2HB ALA 25 17.417 18.476 9.929
188 HB3 ALA 25 3HB ALA 25 18.287 20.005 9.796
189 H VAL 26 H VAL 26 15.174 18.204 11.453
190 HA VAL 26 HA VAL 26 13.199 17.669 9.411
191 HB VAL 26 HB VAL 26 14.424 15.860 10.663
192 HG11 VAL 26 1HG1 VAL 26 13.570 15.192 12.859
193 HG12 VAL 26 2HG1 VAL 26 12.559 16.637 12.899
194 HG13 VAL 26 3HG1 VAL 26 14.316 16.788 12.903
195 HG21 VAL 26 3HG2 VAL 26 12.504 14.366 10.812
196 HG22 VAL 26 1HG2 VAL 26 12.413 15.377 9.372
197 HG23 VAL 26 2HG2 VAL 26 11.413 15.752 10.776
198 H GLU 27 H GLU 27 13.378 19.482 12.278
199 HA GLU 27 HA GLU 27 10.685 19.356 13.149
200 HB2 GLU 27 2HB GLU 27 12.663 21.613 13.500
201 HB3 GLU 27 1HB GLU 27 11.239 21.308 14.484
202 HG2 GLU 27 2HG GLU 27 13.551 19.395 14.267
203 HG3 GLU 27 1HG GLU 27 13.430 20.645 15.501
204 H ASP 28 H ASP 28 12.108 20.715 10.432
205 HA ASP 28 HA ASP 28 10.281 22.916 10.083
206 HB2 ASP 28 2HB ASP 28 12.547 23.045 9.162
207 HB3 ASP 28 1HB ASP 28 12.246 21.620 8.177
208 H LEU 29 H LEU 29 10.407 19.552 9.275
209 HA LEU 29 HA LEU 29 8.207 19.851 7.355
210 HB2 LEU 29 2HB LEU 29 10.199 18.628 6.586
211 HB3 LEU 29 1HB LEU 29 10.001 17.483 7.900
212 HG LEU 29 HG LEU 29 7.821 16.791 6.927
213 HD11 LEU 29 1HD1 LEU 29 7.303 17.464 4.622
214 HD12 LEU 29 2HD1 LEU 29 8.641 18.610 4.667
215 HD13 LEU 29 3HD1 LEU 29 7.259 18.829 5.740
216 HD21 LEU 29 3HD2 LEU 29 9.854 15.541 6.445
217 HD22 LEU 29 1HD2 LEU 29 10.190 16.592 5.073
218 HD23 LEU 29 2HD2 LEU 29 8.770 15.545 5.053
219 H GLU 30 H GLU 30 9.134 18.190 10.335
220 HA GLU 30 HA GLU 30 6.666 16.718 10.448
221 HB2 GLU 30 2HB GLU 30 8.915 17.043 12.423
222 HB3 GLU 30 1HB GLU 30 7.491 16.058 12.732
223 HG2 GLU 30 2HG GLU 30 9.554 15.667 10.584
224 HG3 GLU 30 1HG GLU 30 9.242 14.631 11.977
225 H SER 31 H SER 31 7.061 19.852 10.756
226 HA SER 31 HA SER 31 5.723 20.463 13.182
227 HB2 SER 31 2HB SER 31 5.264 22.663 11.941
228 HB3 SER 31 1HB SER 31 6.956 22.217 12.178
229 HG SER 31 HG SER 31 6.696 22.824 10.049
230 H VAL 32 H VAL 32 4.694 19.614 9.950
231 HA VAL 32 HA VAL 32 1.892 20.076 10.634
232 HB VAL 32 HB VAL 32 1.398 19.533 8.299
233 HG11 VAL 32 1HG1 VAL 32 1.949 21.833 8.866
234 HG12 VAL 32 2HG1 VAL 32 2.530 21.438 7.249
235 HG13 VAL 32 3HG1 VAL 32 3.661 21.504 8.600
236 HG21 VAL 32 3HG2 VAL 32 4.370 19.118 8.000
237 HG22 VAL 32 1HG2 VAL 32 3.190 19.120 6.691
238 HG23 VAL 32 2HG2 VAL 32 3.139 17.861 7.922
239 H GLY 33 H GLY 33 4.144 17.624 10.869
240 HA2 GLY 33 2HA GLY 33 3.827 15.451 11.643
241 HA3 GLY 33 1HA GLY 33 2.094 15.656 11.415
242 H LYS 34 H LYS 34 5.137 15.076 9.720
243 HA LYS 34 HA LYS 34 3.633 14.231 7.348
244 HB2 LYS 34 2HB LYS 34 5.476 15.875 7.073
245 HB3 LYS 34 1HB LYS 34 6.603 14.681 7.699
246 HG2 LYS 34 2HG LYS 34 6.793 14.732 5.325
247 HG3 LYS 34 1HG LYS 34 6.031 13.209 5.788
248 HD2 LYS 34 2HD LYS 34 4.108 15.343 5.294
249 HD3 LYS 34 1HD LYS 34 5.103 14.977 3.885
250 HE2 LYS 34 2HE LYS 34 3.480 12.998 5.479
251 HE3 LYS 34 1HE LYS 34 3.059 13.649 3.895
252 HZ1 LYS 34 3HZ LYS 34 5.254 12.676 3.130
253 HZ2 LYS 34 1HZ LYS 34 4.020 11.567 3.480
254 HZ3 LYS 34 2HZ LYS 34 5.276 11.814 4.589
255 H GLY 35 H GLY 35 6.604 13.141 8.998
256 HA2 GLY 35 2HA GLY 35 5.754 10.368 8.438
257 HA3 GLY 35 1HA GLY 35 7.417 10.891 8.655
258 H ALA 36 H ALA 36 6.542 12.603 10.983
259 HA ALA 36 HA ALA 36 7.279 10.791 12.997
260 HB1 ALA 36 1HB ALA 36 5.862 13.434 13.321
261 HB2 ALA 36 2HB ALA 36 7.606 13.218 13.169
262 HB3 ALA 36 3HB ALA 36 6.755 12.568 14.572
263 H VAL 37 H VAL 37 4.093 12.178 12.235
264 HA VAL 37 HA VAL 37 2.651 10.962 14.292
265 HB VAL 37 HB VAL 37 1.778 12.816 12.941
266 HG11 VAL 37 1HG1 VAL 37 1.485 10.767 10.753
267 HG12 VAL 37 2HG1 VAL 37 2.572 12.160 10.754
268 HG13 VAL 37 3HG1 VAL 37 0.823 12.400 10.719
269 HG21 VAL 37 3HG2 VAL 37 0.023 10.367 12.867
270 HG22 VAL 37 1HG2 VAL 37 -0.533 12.032 12.716
271 HG23 VAL 37 2HG2 VAL 37 0.206 11.483 14.221
272 H HIS 38 H HIS 38 3.913 9.611 11.391
273 HA HIS 38 HA HIS 38 2.208 7.247 11.575
274 HB2 HIS 38 2HB HIS 38 4.300 8.102 9.578
275 HB3 HIS 38 1HB HIS 38 3.575 6.500 9.561
276 HD1 HIS 38 1HD HIS 38 0.930 6.447 9.148
277 HD2 HIS 38 2HD HIS 38 2.847 10.044 8.317
278 HE1 HIS 38 1HE HIS 38 -0.662 7.745 7.695
279 HE2 HIS 38 2HE HIS 38 0.603 9.825 7.042
280 H ASP 39 H ASP 39 5.653 8.082 11.625
281 HA ASP 39 HA ASP 39 6.680 5.529 11.967
282 HB2 ASP 39 2HB ASP 39 7.954 7.635 11.437
283 HB3 ASP 39 1HB ASP 39 7.865 8.044 13.148
284 H VAL 40 H VAL 40 5.524 7.806 14.404
285 HA VAL 40 HA VAL 40 6.549 6.462 16.649
286 HB VAL 40 HB VAL 40 4.954 7.752 17.985
287 HG11 VAL 40 1HG1 VAL 40 5.695 9.995 17.293
288 HG12 VAL 40 2HG1 VAL 40 6.278 9.313 15.776
289 HG13 VAL 40 3HG1 VAL 40 7.008 8.818 17.303
290 HG21 VAL 40 3HG2 VAL 40 3.812 8.596 15.323
291 HG22 VAL 40 1HG2 VAL 40 3.412 9.327 16.876
292 HG23 VAL 40 2HG2 VAL 40 2.998 7.642 16.562
293 H LYS 41 H LYS 41 3.677 5.850 14.743
294 HA LYS 41 HA LYS 41 2.756 3.946 16.770
295 HB2 LYS 41 2HB LYS 41 0.711 3.713 15.416
296 HB3 LYS 41 1HB LYS 41 0.996 5.376 15.905
297 HG2 LYS 41 2HG LYS 41 1.578 6.033 13.741
298 HG3 LYS 41 1HG LYS 41 1.849 4.374 13.211
299 HD2 LYS 41 2HD LYS 41 -0.857 5.372 14.069
300 HD3 LYS 41 1HD LYS 41 -0.283 5.506 12.406
301 HE2 LYS 41 2HE LYS 41 -0.359 2.895 13.905
302 HE3 LYS 41 1HE LYS 41 -1.716 3.482 12.947
303 HZ1 LYS 41 3HZ LYS 41 1.017 3.112 11.830
304 HZ2 LYS 41 1HZ LYS 41 -0.422 3.382 10.979
305 HZ3 LYS 41 2HZ LYS 41 -0.178 1.907 11.778
306 H ASP 42 H ASP 42 3.997 4.131 13.502
307 HA ASP 42 HA ASP 42 3.247 1.590 12.620
308 HB2 ASP 42 2HB ASP 42 5.547 3.336 11.756
309 HB3 ASP 42 1HB ASP 42 5.058 1.866 10.917
310 H VAL 43 H VAL 43 5.932 2.546 14.617
311 HA VAL 43 HA VAL 43 7.545 0.276 14.361
312 HB VAL 43 HB VAL 43 7.048 1.955 16.834
313 HG11 VAL 43 1HG1 VAL 43 8.033 -0.181 17.443
314 HG12 VAL 43 2HG1 VAL 43 9.225 1.109 17.607
315 HG13 VAL 43 3HG1 VAL 43 9.285 0.023 16.219
316 HG21 VAL 43 3HG2 VAL 43 9.116 3.094 16.184
317 HG22 VAL 43 1HG2 VAL 43 7.869 3.258 14.952
318 HG23 VAL 43 2HG2 VAL 43 9.195 2.118 14.717
319 H LEU 44 H LEU 44 4.806 0.881 16.547
320 HA LEU 44 HA LEU 44 4.933 -1.859 17.524
321 HB2 LEU 44 2HB LEU 44 3.082 0.415 18.234
322 HB3 LEU 44 1HB LEU 44 3.088 -1.155 19.014
323 HG LEU 44 HG LEU 44 5.362 0.832 19.055
324 HD11 LEU 44 1HD1 LEU 44 3.409 -0.008 21.194
325 HD12 LEU 44 2HD1 LEU 44 3.477 1.565 20.398
326 HD13 LEU 44 3HD1 LEU 44 4.804 1.041 21.435
327 HD21 LEU 44 3HD2 LEU 44 5.057 -1.831 20.439
328 HD22 LEU 44 1HD2 LEU 44 6.379 -0.691 20.675
329 HD23 LEU 44 2HD2 LEU 44 6.161 -1.473 19.110
330 H ASP 45 H ASP 45 3.043 0.126 15.389
331 HA ASP 45 HA ASP 45 0.787 -1.594 15.183
332 HB2 ASP 45 2HB ASP 45 0.694 0.799 14.639
333 HB3 ASP 45 1HB ASP 45 1.791 0.541 13.290
334 H SER 46 H SER 46 3.870 -1.405 13.593
335 HA SER 46 HA SER 46 5.024 -2.910 12.370
336 HB2 SER 46 2HB SER 46 4.179 -4.587 13.939
337 HB3 SER 46 1HB SER 46 2.704 -4.760 12.989
338 HG SER 46 HG SER 46 4.249 -5.305 11.208
339 H VAL 47 H VAL 47 2.911 -1.133 11.150
340 HA VAL 47 HA VAL 47 2.004 -2.651 8.874
341 HB VAL 47 HB VAL 47 0.589 -0.842 9.691
342 HG11 VAL 47 1HG1 VAL 47 2.264 0.688 10.531
343 HG12 VAL 47 2HG1 VAL 47 1.220 1.510 9.368
344 HG13 VAL 47 3HG1 VAL 47 2.839 0.994 8.891
345 HG21 VAL 47 3HG2 VAL 47 0.407 -1.439 7.355
346 HG22 VAL 47 1HG2 VAL 47 1.699 -0.309 6.942
347 HG23 VAL 47 2HG2 VAL 47 0.160 0.298 7.560
348 H LEU 48 H LEU 48 3.139 -3.060 7.144
349 HA LEU 48 HA LEU 48 5.243 -1.193 6.333
350 HB2 LEU 48 2HB LEU 48 6.608 -3.187 5.616
351 HB3 LEU 48 1HB LEU 48 6.481 -2.929 7.343
352 HG LEU 48 HG LEU 48 4.450 -4.682 6.974
353 HD11 LEU 48 1HD1 LEU 48 4.925 -4.956 4.596
354 HD12 LEU 48 2HD1 LEU 48 5.219 -6.451 5.483
355 HD13 LEU 48 3HD1 LEU 48 6.575 -5.444 4.976
356 HD21 LEU 48 3HD2 LEU 48 6.006 -6.390 7.802
357 HD22 LEU 48 1HD2 LEU 48 6.192 -4.853 8.650
358 HD23 LEU 48 2HD2 LEU 48 7.361 -5.327 7.417
Start of MODEL 3
1 H1 SER 1 1HT SER 1 29.089 6.365 8.309
2 H2 SER 1 2HT SER 1 28.627 7.366 9.596
3 H3 SER 1 3HT SER 1 29.038 8.048 8.101
4 HA SER 1 HA SER 1 26.719 6.284 8.608
5 HB2 SER 1 2HB SER 1 26.497 8.534 9.626
6 HB3 SER 1 1HB SER 1 26.849 9.266 8.061
7 HG SER 1 HG SER 1 24.668 9.235 8.181
8 H SER 2 H SER 2 25.529 5.739 6.793
9 HA SER 2 HA SER 2 26.874 6.188 4.234
10 HB2 SER 2 2HB SER 2 26.308 3.878 4.737
11 HB3 SER 2 1HB SER 2 24.621 4.316 5.007
12 HG SER 2 HG SER 2 25.794 3.627 2.724
13 H LEU 3 H LEU 3 26.229 7.793 2.976
14 HA LEU 3 HA LEU 3 23.623 9.001 3.418
15 HB2 LEU 3 2HB LEU 3 24.379 10.711 1.798
16 HB3 LEU 3 1HB LEU 3 25.452 10.532 3.169
17 HG LEU 3 HG LEU 3 26.826 9.000 1.568
18 HD11 LEU 3 1HD1 LEU 3 26.686 9.653 -0.771
19 HD12 LEU 3 2HD1 LEU 3 25.291 10.673 -0.415
20 HD13 LEU 3 3HD1 LEU 3 25.176 8.922 -0.228
21 HD21 LEU 3 3HD2 LEU 3 27.597 11.122 2.481
22 HD22 LEU 3 1HD2 LEU 3 26.720 11.991 1.222
23 HD23 LEU 3 2HD2 LEU 3 28.078 10.950 0.791
24 H LEU 4 H LEU 4 24.807 6.483 1.666
25 HA LEU 4 HA LEU 4 23.222 6.795 -0.703
26 HB2 LEU 4 2HB LEU 4 24.899 4.642 0.468
27 HB3 LEU 4 1HB LEU 4 23.656 4.155 -0.667
28 HG LEU 4 HG LEU 4 25.750 4.404 -1.832
29 HD11 LEU 4 1HD1 LEU 4 25.117 6.015 -3.551
30 HD12 LEU 4 2HD1 LEU 4 23.912 6.707 -2.467
31 HD13 LEU 4 3HD1 LEU 4 23.734 5.049 -3.039
32 HD21 LEU 4 3HD2 LEU 4 25.787 7.240 -0.816
33 HD22 LEU 4 1HD2 LEU 4 26.929 6.535 -1.959
34 HD23 LEU 4 2HD2 LEU 4 26.859 5.939 -0.300
35 H GLU 5 H GLU 5 22.983 4.553 2.063
36 HA GLU 5 HA GLU 5 20.389 3.678 1.273
37 HB2 GLU 5 2HB GLU 5 20.413 2.451 3.444
38 HB3 GLU 5 1HB GLU 5 21.813 2.134 2.428
39 HG2 GLU 5 2HG GLU 5 23.150 3.654 3.775
40 HG3 GLU 5 1HG GLU 5 21.745 4.021 4.778
41 H LYS 6 H LYS 6 21.574 5.970 3.691
42 HA LYS 6 HA LYS 6 18.859 6.309 4.712
43 HB2 LYS 6 2HB LYS 6 21.455 7.460 5.742
44 HB3 LYS 6 1HB LYS 6 19.893 7.529 6.549
45 HG2 LYS 6 2HG LYS 6 19.880 5.091 6.729
46 HG3 LYS 6 1HG LYS 6 21.452 5.030 5.928
47 HD2 LYS 6 2HD LYS 6 22.388 6.397 7.766
48 HD3 LYS 6 1HD LYS 6 20.820 6.329 8.576
49 HE2 LYS 6 2HE LYS 6 22.589 3.987 7.889
50 HE3 LYS 6 1HE LYS 6 22.325 4.659 9.496
51 HZ1 LYS 6 3HZ LYS 6 20.300 3.331 7.782
52 HZ2 LYS 6 1HZ LYS 6 19.955 4.083 9.261
53 HZ3 LYS 6 2HZ LYS 6 20.968 2.722 9.213
54 H GLY 7 H GLY 7 21.117 7.878 2.677
55 HA2 GLY 7 2HA GLY 7 19.707 10.434 2.931
56 HA3 GLY 7 1HA GLY 7 21.253 10.190 2.128
57 H LEU 8 H LEU 8 21.200 8.866 0.139
58 HA LEU 8 HA LEU 8 19.440 10.068 -1.690
59 HB2 LEU 8 2HB LEU 8 21.797 9.060 -2.030
60 HB3 LEU 8 1HB LEU 8 20.961 7.537 -2.252
61 HG LEU 8 HG LEU 8 21.597 8.734 -4.364
62 HD11 LEU 8 1HD1 LEU 8 19.482 8.338 -5.513
63 HD12 LEU 8 2HD1 LEU 8 18.650 8.253 -3.959
64 HD13 LEU 8 3HD1 LEU 8 19.856 7.037 -4.382
65 HD21 LEU 8 3HD2 LEU 8 19.462 10.659 -3.467
66 HD22 LEU 8 1HD2 LEU 8 20.207 10.627 -5.066
67 HD23 LEU 8 2HD2 LEU 8 21.182 11.006 -3.645
68 H ASP 9 H ASP 9 19.652 6.634 -0.734
69 HA ASP 9 HA ASP 9 17.415 5.793 -2.195
70 HB2 ASP 9 2HB ASP 9 19.171 4.292 -1.259
71 HB3 ASP 9 1HB ASP 9 18.501 4.562 0.345
72 H GLY 10 H GLY 10 17.711 6.862 1.156
73 HA2 GLY 10 2HA GLY 10 15.032 6.429 1.918
74 HA3 GLY 10 1HA GLY 10 16.145 7.559 2.678
75 H ALA 11 H ALA 11 16.639 9.172 0.394
76 HA ALA 11 HA ALA 11 14.461 10.969 0.531
77 HB1 ALA 11 1HB ALA 11 15.678 12.269 -1.141
78 HB2 ALA 11 2HB ALA 11 16.760 10.904 -1.424
79 HB3 ALA 11 3HB ALA 11 16.753 11.717 0.142
80 H LYS 12 H LYS 12 15.191 8.315 -1.556
81 HA LYS 12 HA LYS 12 13.309 9.136 -3.604
82 HB2 LYS 12 2HB LYS 12 14.581 6.415 -3.291
83 HB3 LYS 12 1HB LYS 12 13.876 7.107 -4.743
84 HG2 LYS 12 2HG LYS 12 16.412 7.993 -3.383
85 HG3 LYS 12 1HG LYS 12 16.280 7.107 -4.901
86 HD2 LYS 12 2HD LYS 12 15.147 9.862 -4.444
87 HD3 LYS 12 1HD LYS 12 16.727 9.549 -5.162
88 HE2 LYS 12 2HE LYS 12 15.638 8.280 -6.960
89 HE3 LYS 12 1HE LYS 12 14.065 8.632 -6.243
90 HZ1 LYS 12 3HZ LYS 12 15.988 10.666 -7.232
91 HZ2 LYS 12 1HZ LYS 12 14.453 10.976 -6.590
92 HZ3 LYS 12 2HZ LYS 12 14.609 10.145 -8.065
93 H LYS 13 H LYS 13 13.236 7.561 -0.623
94 HA LYS 13 HA LYS 13 11.884 6.074 0.435
95 HB2 LYS 13 2HB LYS 13 9.489 6.797 0.495
96 HB3 LYS 13 1HB LYS 13 10.660 8.044 0.879
97 HG2 LYS 13 2HG LYS 13 9.788 7.921 -1.934
98 HG3 LYS 13 1HG LYS 13 8.564 8.399 -0.759
99 HD2 LYS 13 2HD LYS 13 11.285 9.676 -1.060
100 HD3 LYS 13 1HD LYS 13 9.777 10.333 -1.701
101 HE2 LYS 13 2HE LYS 13 8.879 10.443 0.587
102 HE3 LYS 13 1HE LYS 13 10.413 9.836 1.206
103 HZ1 LYS 13 3HZ LYS 13 10.137 12.345 -0.359
104 HZ2 LYS 13 1HZ LYS 13 11.519 11.795 0.458
105 HZ3 LYS 13 2HZ LYS 13 10.156 12.285 1.338
106 H ALA 14 H ALA 14 12.661 4.989 -2.000
107 HA ALA 14 HA ALA 14 10.439 3.864 -3.390
108 HB1 ALA 14 1HB ALA 14 12.636 4.131 -4.446
109 HB2 ALA 14 2HB ALA 14 12.100 2.450 -4.485
110 HB3 ALA 14 3HB ALA 14 13.318 2.960 -3.317
111 H VAL 15 H VAL 15 12.711 2.649 -0.949
112 HA VAL 15 HA VAL 15 10.781 0.491 -0.377
113 HB VAL 15 HB VAL 15 12.618 -0.892 0.423
114 HG11 VAL 15 1HG1 VAL 15 11.989 -1.091 -1.910
115 HG12 VAL 15 2HG1 VAL 15 13.725 -1.338 -1.718
116 HG13 VAL 15 3HG1 VAL 15 13.117 0.194 -2.344
117 HG21 VAL 15 3HG2 VAL 15 14.421 1.361 -0.454
118 HG22 VAL 15 1HG2 VAL 15 14.952 -0.231 0.096
119 HG23 VAL 15 2HG2 VAL 15 14.116 0.855 1.208
120 H GLY 16 H GLY 16 12.484 3.202 0.791
121 HA2 GLY 16 2HA GLY 16 12.125 2.488 3.597
122 HA3 GLY 16 1HA GLY 16 12.926 3.925 2.979
123 H GLY 17 H GLY 17 9.679 2.642 2.327
124 HA2 GLY 17 2HA GLY 17 8.585 5.269 3.040
125 HA3 GLY 17 1HA GLY 17 7.754 4.023 2.116
126 H LEU 18 H LEU 18 9.454 3.080 4.925
127 HA LEU 18 HA LEU 18 7.217 3.283 6.726
128 HB2 LEU 18 2HB LEU 18 7.339 0.734 7.137
129 HB3 LEU 18 1HB LEU 18 6.407 1.322 5.778
130 HG LEU 18 HG LEU 18 8.463 0.819 4.340
131 HD11 LEU 18 1HD1 LEU 18 9.982 -0.889 5.199
132 HD12 LEU 18 2HD1 LEU 18 9.220 -0.772 6.785
133 HD13 LEU 18 3HD1 LEU 18 10.101 0.606 6.128
134 HD21 LEU 18 3HD2 LEU 18 7.861 -1.536 4.138
135 HD22 LEU 18 1HD2 LEU 18 6.430 -0.521 4.306
136 HD23 LEU 18 2HD2 LEU 18 7.012 -1.457 5.683
137 H GLY 19 H GLY 19 8.116 1.373 8.608
138 HA2 GLY 19 2HA GLY 19 10.319 2.707 9.790
139 HA3 GLY 19 1HA GLY 19 9.638 1.174 10.317
140 H LYS 20 H LYS 20 11.873 2.685 8.088
141 HA LYS 20 HA LYS 20 13.309 0.130 7.830
142 HB2 LYS 20 2HB LYS 20 11.943 0.834 5.801
143 HB3 LYS 20 1HB LYS 20 13.035 2.196 5.644
144 HG2 LYS 20 2HG LYS 20 13.716 0.519 4.113
145 HG3 LYS 20 1HG LYS 20 14.910 0.587 5.405
146 HD2 LYS 20 2HD LYS 20 12.659 -1.385 5.526
147 HD3 LYS 20 1HD LYS 20 14.081 -1.719 4.540
148 HE2 LYS 20 2HE LYS 20 15.490 -1.370 6.555
149 HE3 LYS 20 1HE LYS 20 14.019 -1.195 7.510
150 HZ1 LYS 20 3HZ LYS 20 14.926 -3.435 7.637
151 HZ2 LYS 20 1HZ LYS 20 14.789 -3.610 5.957
152 HZ3 LYS 20 2HZ LYS 20 13.393 -3.447 6.911
153 H LEU 21 H LEU 21 15.635 0.560 7.043
154 HA LEU 21 HA LEU 21 16.684 2.402 9.013
155 HB2 LEU 21 2HB LEU 21 18.034 0.291 7.340
156 HB3 LEU 21 1HB LEU 21 18.826 1.247 8.581
157 HG LEU 21 HG LEU 21 16.575 -0.718 9.025
158 HD11 LEU 21 1HD1 LEU 21 19.491 -0.820 9.776
159 HD12 LEU 21 2HD1 LEU 21 18.692 -1.807 8.551
160 HD13 LEU 21 3HD1 LEU 21 18.265 -1.994 10.254
161 HD21 LEU 21 3HD2 LEU 21 18.115 0.953 11.008
162 HD22 LEU 21 1HD2 LEU 21 16.923 -0.285 11.404
163 HD23 LEU 21 2HD2 LEU 21 16.426 1.178 10.554
164 H GLY 22 H GLY 22 15.596 3.336 6.406
165 HA2 GLY 22 2HA GLY 22 17.989 4.839 5.555
166 HA3 GLY 22 1HA GLY 22 16.524 4.660 4.592
167 H LYS 23 H LYS 23 15.549 4.983 7.672
168 HA LYS 23 HA LYS 23 14.946 7.833 7.279
169 HB2 LYS 23 2HB LYS 23 13.497 5.578 8.640
170 HB3 LYS 23 1HB LYS 23 13.110 7.252 9.010
171 HG2 LYS 23 2HG LYS 23 13.171 6.483 6.155
172 HG3 LYS 23 1HG LYS 23 11.838 5.867 7.137
173 HD2 LYS 23 2HD LYS 23 12.643 8.772 6.961
174 HD3 LYS 23 1HD LYS 23 11.333 8.038 6.029
175 HE2 LYS 23 2HE LYS 23 10.186 7.436 8.087
176 HE3 LYS 23 1HE LYS 23 11.507 8.100 9.044
177 HZ1 LYS 23 3HZ LYS 23 11.003 10.288 8.222
178 HZ2 LYS 23 1HZ LYS 23 9.597 9.598 8.880
179 HZ3 LYS 23 2HZ LYS 23 9.797 9.679 7.199
180 H ASP 24 H ASP 24 16.575 5.617 9.336
181 HA ASP 24 HA ASP 24 16.149 6.968 11.812
182 HB2 ASP 24 2HB ASP 24 17.718 5.361 12.739
183 HB3 ASP 24 1HB ASP 24 16.582 4.547 11.668
184 H ALA 25 H ALA 25 17.781 8.153 9.345
185 HA ALA 25 HA ALA 25 19.989 9.180 10.990
186 HB1 ALA 25 1HB ALA 25 19.670 9.252 7.993
187 HB2 ALA 25 2HB ALA 25 20.676 8.123 8.900
188 HB3 ALA 25 3HB ALA 25 21.058 9.844 8.905
189 H VAL 26 H VAL 26 16.950 10.006 9.780
190 HA VAL 26 HA VAL 26 17.539 12.876 10.091
191 HB VAL 26 HB VAL 26 17.370 12.281 7.687
192 HG11 VAL 26 1HG1 VAL 26 14.524 11.555 8.359
193 HG12 VAL 26 2HG1 VAL 26 15.796 10.442 7.855
194 HG13 VAL 26 3HG1 VAL 26 15.203 11.668 6.735
195 HG21 VAL 26 3HG2 VAL 26 15.756 14.029 7.060
196 HG22 VAL 26 1HG2 VAL 26 16.817 14.535 8.375
197 HG23 VAL 26 2HG2 VAL 26 15.155 14.051 8.719
198 H GLU 27 H GLU 27 15.661 10.259 11.049
199 HA GLU 27 HA GLU 27 13.153 11.520 11.399
200 HB2 GLU 27 2HB GLU 27 12.796 9.576 13.074
201 HB3 GLU 27 1HB GLU 27 12.954 9.230 11.363
202 HG2 GLU 27 2HG GLU 27 14.186 7.599 12.557
203 HG3 GLU 27 1HG GLU 27 15.342 8.657 11.760
204 H ASP 28 H ASP 28 16.018 11.999 13.024
205 HA ASP 28 HA ASP 28 15.004 12.560 15.628
206 HB2 ASP 28 2HB ASP 28 17.356 12.047 15.327
207 HB3 ASP 28 1HB ASP 28 17.554 13.423 14.250
208 H LEU 29 H LEU 29 15.153 14.307 12.646
209 HA LEU 29 HA LEU 29 14.650 16.851 13.994
210 HB2 LEU 29 2HB LEU 29 16.351 16.765 12.212
211 HB3 LEU 29 1HB LEU 29 15.121 16.257 11.072
212 HG LEU 29 HG LEU 29 13.960 18.420 11.397
213 HD11 LEU 29 1HD1 LEU 29 14.715 18.929 13.647
214 HD12 LEU 29 2HD1 LEU 29 15.134 20.238 12.541
215 HD13 LEU 29 3HD1 LEU 29 16.373 19.099 13.069
216 HD21 LEU 29 3HD2 LEU 29 16.857 18.647 10.602
217 HD22 LEU 29 1HD2 LEU 29 15.570 19.768 10.162
218 HD23 LEU 29 2HD2 LEU 29 15.539 18.109 9.562
219 H GLU 30 H GLU 30 13.147 14.664 11.634
220 HA GLU 30 HA GLU 30 10.947 16.439 11.191
221 HB2 GLU 30 2HB GLU 30 10.033 14.649 9.794
222 HB3 GLU 30 1HB GLU 30 11.710 15.003 9.406
223 HG2 GLU 30 2HG GLU 30 12.439 13.033 10.604
224 HG3 GLU 30 1HG GLU 30 10.779 12.693 11.099
225 H SER 31 H SER 31 11.602 13.985 13.508
226 HA SER 31 HA SER 31 8.937 13.286 14.158
227 HB2 SER 31 2HB SER 31 9.944 12.660 16.402
228 HB3 SER 31 1HB SER 31 10.693 11.892 15.002
229 HG SER 31 HG SER 31 12.495 12.838 15.490
230 H VAL 32 H VAL 32 11.077 15.882 15.110
231 HA VAL 32 HA VAL 32 9.506 17.069 17.109
232 HB VAL 32 HB VAL 32 11.385 18.418 15.155
233 HG11 VAL 32 1HG1 VAL 32 11.603 20.156 16.859
234 HG12 VAL 32 2HG1 VAL 32 10.392 19.343 17.849
235 HG13 VAL 32 3HG1 VAL 32 9.942 20.024 16.285
236 HG21 VAL 32 3HG2 VAL 32 13.061 18.201 16.948
237 HG22 VAL 32 1HG2 VAL 32 12.507 16.637 16.350
238 HG23 VAL 32 2HG2 VAL 32 11.907 17.255 17.887
239 H GLY 33 H GLY 33 9.392 17.217 13.612
240 HA2 GLY 33 2HA GLY 33 7.395 19.295 13.526
241 HA3 GLY 33 1HA GLY 33 7.951 18.323 12.170
242 H LYS 34 H LYS 34 6.993 16.668 14.986
243 HA LYS 34 HA LYS 34 5.255 15.377 15.590
244 HB2 LYS 34 2HB LYS 34 4.043 17.612 15.245
245 HB3 LYS 34 1HB LYS 34 3.478 16.935 13.725
246 HG2 LYS 34 2HG LYS 34 1.837 16.690 15.527
247 HG3 LYS 34 1HG LYS 34 2.372 15.133 14.893
248 HD2 LYS 34 2HD LYS 34 2.271 15.019 17.303
249 HD3 LYS 34 1HD LYS 34 3.954 14.947 16.787
250 HE2 LYS 34 2HE LYS 34 3.861 16.405 18.663
251 HE3 LYS 34 1HE LYS 34 4.101 17.414 17.236
252 HZ1 LYS 34 3HZ LYS 34 2.451 18.379 18.681
253 HZ2 LYS 34 1HZ LYS 34 1.530 16.956 18.652
254 HZ3 LYS 34 2HZ LYS 34 1.708 17.879 17.239
255 H GLY 35 H GLY 35 6.834 14.970 12.999
256 HA2 GLY 35 2HA GLY 35 5.113 13.413 11.318
257 HA3 GLY 35 1HA GLY 35 6.874 13.425 11.282
258 H ALA 36 H ALA 36 6.419 12.900 14.352
259 HA ALA 36 HA ALA 36 7.080 10.193 14.368
260 HB1 ALA 36 1HB ALA 36 6.684 10.278 16.777
261 HB2 ALA 36 2HB ALA 36 5.854 11.822 16.591
262 HB3 ALA 36 3HB ALA 36 7.574 11.697 16.225
263 H VAL 37 H VAL 37 3.972 11.779 14.386
264 HA VAL 37 HA VAL 37 2.357 9.641 15.239
265 HB VAL 37 HB VAL 37 1.642 11.833 13.276
266 HG11 VAL 37 1HG1 VAL 37 -0.656 11.479 14.054
267 HG12 VAL 37 2HG1 VAL 37 -0.106 10.129 15.046
268 HG13 VAL 37 3HG1 VAL 37 0.010 10.037 13.289
269 HG21 VAL 37 3HG2 VAL 37 1.434 11.796 16.287
270 HG22 VAL 37 1HG2 VAL 37 0.804 13.061 15.230
271 HG23 VAL 37 2HG2 VAL 37 2.541 12.777 15.327
272 H HIS 38 H HIS 38 3.942 10.318 12.237
273 HA HIS 38 HA HIS 38 2.393 8.391 10.721
274 HB2 HIS 38 2HB HIS 38 3.138 10.434 9.606
275 HB3 HIS 38 1HB HIS 38 4.812 10.070 9.994
276 HD1 HIS 38 1HD HIS 38 2.277 9.607 7.421
277 HD2 HIS 38 2HD HIS 38 5.823 7.741 8.539
278 HE1 HIS 38 1HE HIS 38 2.977 8.239 5.439
279 HE2 HIS 38 2HE HIS 38 5.029 6.998 6.192
280 H ASP 39 H ASP 39 5.789 8.779 11.737
281 HA ASP 39 HA ASP 39 6.511 6.259 10.577
282 HB2 ASP 39 2HB ASP 39 8.116 8.167 12.290
283 HB3 ASP 39 1HB ASP 39 8.770 6.755 11.466
284 H VAL 40 H VAL 40 6.181 7.447 13.909
285 HA VAL 40 HA VAL 40 7.170 5.077 15.108
286 HB VAL 40 HB VAL 40 5.378 7.208 16.295
287 HG11 VAL 40 1HG1 VAL 40 6.122 6.356 18.472
288 HG12 VAL 40 2HG1 VAL 40 6.987 5.052 17.663
289 HG13 VAL 40 3HG1 VAL 40 5.230 5.133 17.569
290 HG21 VAL 40 3HG2 VAL 40 7.525 8.068 15.535
291 HG22 VAL 40 1HG2 VAL 40 8.361 6.808 16.443
292 HG23 VAL 40 2HG2 VAL 40 7.445 8.051 17.296
293 H LYS 41 H LYS 41 4.016 6.060 13.993
294 HA LYS 41 HA LYS 41 2.510 4.100 15.371
295 HB2 LYS 41 2HB LYS 41 1.536 6.125 14.333
296 HB3 LYS 41 1HB LYS 41 1.874 5.452 12.745
297 HG2 LYS 41 2HG LYS 41 0.319 3.674 13.085
298 HG3 LYS 41 1HG LYS 41 0.102 4.116 14.779
299 HD2 LYS 41 2HD LYS 41 -0.640 5.852 12.424
300 HD3 LYS 41 1HD LYS 41 -1.769 4.864 13.354
301 HE2 LYS 41 2HE LYS 41 -1.171 6.132 15.379
302 HE3 LYS 41 1HE LYS 41 -0.100 7.146 14.413
303 HZ1 LYS 41 3HZ LYS 41 -2.010 7.886 13.137
304 HZ2 LYS 41 1HZ LYS 41 -2.241 8.203 14.787
305 HZ3 LYS 41 2HZ LYS 41 -3.041 6.899 14.055
306 H ASP 42 H ASP 42 4.211 4.099 12.286
307 HA ASP 42 HA ASP 42 3.254 1.642 11.290
308 HB2 ASP 42 2HB ASP 42 4.525 3.224 9.901
309 HB3 ASP 42 1HB ASP 42 5.961 2.945 10.882
310 H VAL 43 H VAL 43 5.731 2.475 13.595
311 HA VAL 43 HA VAL 43 6.766 -0.203 13.845
312 HB VAL 43 HB VAL 43 7.173 2.144 15.708
313 HG11 VAL 43 1HG1 VAL 43 8.790 -0.367 15.277
314 HG12 VAL 43 2HG1 VAL 43 7.781 -0.008 16.678
315 HG13 VAL 43 3HG1 VAL 43 9.221 0.960 16.357
316 HG21 VAL 43 3HG2 VAL 43 7.820 2.748 13.441
317 HG22 VAL 43 1HG2 VAL 43 8.813 1.296 13.323
318 HG23 VAL 43 2HG2 VAL 43 9.244 2.567 14.468
319 H LEU 44 H LEU 44 4.582 1.916 15.621
320 HA LEU 44 HA LEU 44 4.189 0.407 17.921
321 HB2 LEU 44 2HB LEU 44 3.377 2.710 17.595
322 HB3 LEU 44 1HB LEU 44 2.175 2.118 16.464
323 HG LEU 44 HG LEU 44 1.127 0.816 18.294
324 HD11 LEU 44 1HD1 LEU 44 3.126 2.258 20.037
325 HD12 LEU 44 2HD1 LEU 44 3.087 0.525 19.716
326 HD13 LEU 44 3HD1 LEU 44 1.771 1.285 20.607
327 HD21 LEU 44 3HD2 LEU 44 0.137 2.728 19.442
328 HD22 LEU 44 1HD2 LEU 44 0.305 3.045 17.713
329 HD23 LEU 44 2HD2 LEU 44 1.441 3.762 18.856
330 H ASP 45 H ASP 45 2.347 0.305 14.865
331 HA ASP 45 HA ASP 45 0.862 -2.007 15.788
332 HB2 ASP 45 2HB ASP 45 0.785 -0.328 13.313
333 HB3 ASP 45 1HB ASP 45 0.030 -1.917 13.309
334 H SER 46 H SER 46 3.906 -1.775 14.900
335 HA SER 46 HA SER 46 3.932 -4.165 13.207
336 HB2 SER 46 2HB SER 46 5.357 -2.132 12.640
337 HB3 SER 46 1HB SER 46 6.318 -2.517 14.067
338 HG SER 46 HG SER 46 5.901 -4.147 11.776
339 H VAL 47 H VAL 47 4.672 -3.005 16.405
340 HA VAL 47 HA VAL 47 6.111 -5.365 17.209
341 HB VAL 47 HB VAL 47 4.899 -3.179 18.917
342 HG11 VAL 47 1HG1 VAL 47 5.285 -5.206 20.191
343 HG12 VAL 47 2HG1 VAL 47 6.459 -3.968 20.645
344 HG13 VAL 47 3HG1 VAL 47 6.937 -5.296 19.587
345 HG21 VAL 47 3HG2 VAL 47 6.556 -2.288 17.374
346 HG22 VAL 47 1HG2 VAL 47 7.715 -3.516 17.887
347 HG23 VAL 47 2HG2 VAL 47 7.179 -2.279 19.025
348 H LEU 48 H LEU 48 4.982 -7.213 17.187
349 HA LEU 48 HA LEU 48 2.351 -7.245 18.506
350 HB2 LEU 48 2HB LEU 48 2.548 -7.835 15.996
351 HB3 LEU 48 1HB LEU 48 3.324 -9.308 16.535
352 HG LEU 48 HG LEU 48 0.547 -8.501 17.405
353 HD11 LEU 48 1HD1 LEU 48 0.598 -8.730 14.982
354 HD12 LEU 48 2HD1 LEU 48 -0.281 -10.065 15.726
355 HD13 LEU 48 3HD1 LEU 48 1.363 -10.312 15.137
356 HD21 LEU 48 3HD2 LEU 48 0.321 -10.875 17.952
357 HD22 LEU 48 1HD2 LEU 48 1.646 -10.135 18.850
358 HD23 LEU 48 2HD2 LEU 48 1.989 -11.153 17.452
Start of MODEL 4
1 H1 SER 1 1HT SER 1 10.395 -5.766 26.963
2 H2 SER 1 2HT SER 1 11.804 -6.690 27.138
3 H3 SER 1 3HT SER 1 10.370 -7.422 26.604
4 HA SER 1 HA SER 1 11.956 -7.052 24.812
5 HB2 SER 1 2HB SER 1 9.413 -5.413 24.663
6 HB3 SER 1 1HB SER 1 10.349 -5.976 23.276
7 HG SER 1 HG SER 1 9.969 -8.138 24.047
8 H SER 2 H SER 2 13.799 -5.932 24.765
9 HA SER 2 HA SER 2 13.712 -3.022 25.133
10 HB2 SER 2 2HB SER 2 16.142 -4.810 24.873
11 HB3 SER 2 1HB SER 2 16.104 -3.136 25.433
12 HG SER 2 HG SER 2 14.464 -4.893 26.808
13 H LEU 3 H LEU 3 14.722 -1.633 23.555
14 HA LEU 3 HA LEU 3 14.295 -2.659 20.858
15 HB2 LEU 3 2HB LEU 3 14.795 0.164 21.809
16 HB3 LEU 3 1HB LEU 3 14.342 -0.306 20.181
17 HG LEU 3 HG LEU 3 12.621 -0.669 22.635
18 HD11 LEU 3 1HD1 LEU 3 12.897 1.683 22.019
19 HD12 LEU 3 2HD1 LEU 3 11.257 1.116 21.701
20 HD13 LEU 3 3HD1 LEU 3 12.397 1.306 20.369
21 HD21 LEU 3 3HD2 LEU 3 12.021 -1.115 19.713
22 HD22 LEU 3 1HD2 LEU 3 10.867 -1.250 21.039
23 HD23 LEU 3 2HD2 LEU 3 12.222 -2.373 20.933
24 H LEU 4 H LEU 4 16.806 -1.145 22.816
25 HA LEU 4 HA LEU 4 18.978 -2.262 21.427
26 HB2 LEU 4 2HB LEU 4 18.093 -0.597 19.706
27 HB3 LEU 4 1HB LEU 4 18.548 0.670 20.824
28 HG LEU 4 HG LEU 4 20.912 -0.115 20.677
29 HD11 LEU 4 1HD1 LEU 4 19.825 -1.865 18.477
30 HD12 LEU 4 2HD1 LEU 4 20.491 -2.420 20.013
31 HD13 LEU 4 3HD1 LEU 4 21.529 -1.606 18.842
32 HD21 LEU 4 3HD2 LEU 4 21.312 0.814 18.449
33 HD22 LEU 4 1HD2 LEU 4 20.129 1.766 19.346
34 HD23 LEU 4 2HD2 LEU 4 19.595 0.662 18.078
35 H GLU 5 H GLU 5 21.055 -0.793 22.050
36 HA GLU 5 HA GLU 5 21.103 -0.460 24.841
37 HB2 GLU 5 2HB GLU 5 23.283 0.650 24.475
38 HB3 GLU 5 1HB GLU 5 23.149 -0.860 23.585
39 HG2 GLU 5 2HG GLU 5 22.803 0.289 21.532
40 HG3 GLU 5 1HG GLU 5 22.629 1.835 22.359
41 H LYS 6 H LYS 6 20.635 1.810 22.193
42 HA LYS 6 HA LYS 6 20.349 4.094 23.915
43 HB2 LYS 6 2HB LYS 6 21.198 4.256 21.584
44 HB3 LYS 6 1HB LYS 6 19.631 3.734 20.992
45 HG2 LYS 6 2HG LYS 6 19.833 6.174 22.699
46 HG3 LYS 6 1HG LYS 6 20.259 6.253 20.991
47 HD2 LYS 6 2HD LYS 6 18.044 5.386 20.406
48 HD3 LYS 6 1HD LYS 6 17.621 5.318 22.117
49 HE2 LYS 6 2HE LYS 6 17.922 7.741 22.281
50 HE3 LYS 6 1HE LYS 6 18.333 7.802 20.567
51 HZ1 LYS 6 3HZ LYS 6 15.726 7.056 21.767
52 HZ2 LYS 6 1HZ LYS 6 16.101 6.810 20.129
53 HZ3 LYS 6 2HZ LYS 6 16.065 8.378 20.774
54 H GLY 7 H GLY 7 18.332 1.656 22.509
55 HA2 GLY 7 2HA GLY 7 15.877 3.028 23.313
56 HA3 GLY 7 1HA GLY 7 15.975 1.543 22.374
57 H LEU 8 H LEU 8 17.580 2.320 25.409
58 HA LEU 8 HA LEU 8 16.390 -0.061 26.627
59 HB2 LEU 8 2HB LEU 8 18.894 0.366 26.585
60 HB3 LEU 8 1HB LEU 8 18.607 1.685 27.700
61 HG LEU 8 HG LEU 8 17.718 0.084 29.354
62 HD11 LEU 8 1HD1 LEU 8 18.539 -2.003 27.339
63 HD12 LEU 8 2HD1 LEU 8 16.886 -1.609 27.807
64 HD13 LEU 8 3HD1 LEU 8 17.991 -2.316 28.987
65 HD21 LEU 8 3HD2 LEU 8 19.861 -0.976 29.900
66 HD22 LEU 8 1HD2 LEU 8 20.072 0.706 29.413
67 HD23 LEU 8 2HD2 LEU 8 20.458 -0.593 28.285
68 H ASP 9 H ASP 9 14.805 2.197 26.193
69 HA ASP 9 HA ASP 9 14.522 4.110 28.137
70 HB2 ASP 9 2HB ASP 9 13.226 4.091 26.077
71 HB3 ASP 9 1HB ASP 9 12.358 2.655 26.608
72 H GLY 10 H GLY 10 12.792 0.996 28.064
73 HA2 GLY 10 2HA GLY 10 12.774 -0.335 30.118
74 HA3 GLY 10 1HA GLY 10 12.601 1.176 31.001
75 H ALA 11 H ALA 11 10.596 2.441 30.546
76 HA ALA 11 HA ALA 11 8.330 1.086 29.470
77 HB1 ALA 11 1HB ALA 11 7.117 0.687 31.550
78 HB2 ALA 11 2HB ALA 11 8.528 1.203 32.475
79 HB3 ALA 11 3HB ALA 11 8.609 -0.252 31.485
80 H LYS 12 H LYS 12 9.700 3.827 29.649
81 HA LYS 12 HA LYS 12 7.288 5.284 30.542
82 HB2 LYS 12 2HB LYS 12 8.712 7.309 30.736
83 HB3 LYS 12 1HB LYS 12 9.152 6.029 31.852
84 HG2 LYS 12 2HG LYS 12 10.605 6.151 29.274
85 HG3 LYS 12 1HG LYS 12 10.944 7.405 30.468
86 HD2 LYS 12 2HD LYS 12 11.088 4.436 30.980
87 HD3 LYS 12 1HD LYS 12 12.474 5.476 30.646
88 HE2 LYS 12 2HE LYS 12 11.858 6.831 32.636
89 HE3 LYS 12 1HE LYS 12 10.596 5.654 32.996
90 HZ1 LYS 12 3HZ LYS 12 12.245 3.960 33.292
91 HZ2 LYS 12 1HZ LYS 12 12.664 5.293 34.254
92 HZ3 LYS 12 2HZ LYS 12 13.489 5.008 32.801
93 H LYS 13 H LYS 13 9.380 4.577 27.924
94 HA LYS 13 HA LYS 13 9.230 4.938 25.695
95 HB2 LYS 13 2HB LYS 13 6.814 4.284 26.221
96 HB3 LYS 13 1HB LYS 13 6.443 6.000 26.157
97 HG2 LYS 13 2HG LYS 13 5.926 4.842 24.056
98 HG3 LYS 13 1HG LYS 13 7.140 6.106 23.847
99 HD2 LYS 13 2HD LYS 13 8.910 4.453 23.843
100 HD3 LYS 13 1HD LYS 13 7.747 3.167 24.168
101 HE2 LYS 13 2HE LYS 13 7.653 4.922 21.719
102 HE3 LYS 13 1HE LYS 13 8.488 3.371 21.773
103 HZ1 LYS 13 3HZ LYS 13 5.582 3.820 22.215
104 HZ2 LYS 13 1HZ LYS 13 6.372 2.323 22.362
105 HZ3 LYS 13 2HZ LYS 13 6.298 3.103 20.857
106 H ALA 14 H ALA 14 10.399 6.900 27.277
107 HA ALA 14 HA ALA 14 9.459 9.497 26.348
108 HB1 ALA 14 1HB ALA 14 10.193 9.237 28.679
109 HB2 ALA 14 2HB ALA 14 11.182 10.412 27.813
110 HB3 ALA 14 3HB ALA 14 11.802 8.789 28.116
111 H VAL 15 H VAL 15 10.225 7.867 24.274
112 HA VAL 15 HA VAL 15 11.458 7.826 22.361
113 HB VAL 15 HB VAL 15 12.774 10.382 23.314
114 HG11 VAL 15 1HG1 VAL 15 12.972 10.890 20.933
115 HG12 VAL 15 2HG1 VAL 15 12.230 9.339 20.539
116 HG13 VAL 15 3HG1 VAL 15 13.799 9.385 21.342
117 HG21 VAL 15 3HG2 VAL 15 10.159 10.078 21.840
118 HG22 VAL 15 1HG2 VAL 15 10.983 11.602 22.167
119 HG23 VAL 15 2HG2 VAL 15 10.356 10.633 23.502
120 H GLY 16 H GLY 16 12.493 6.894 25.091
121 HA2 GLY 16 2HA GLY 16 14.334 5.634 25.727
122 HA3 GLY 16 1HA GLY 16 15.128 6.089 24.223
123 H GLY 17 H GLY 17 14.286 7.204 27.452
124 HA2 GLY 17 2HA GLY 17 15.457 9.744 27.325
125 HA3 GLY 17 1HA GLY 17 15.135 8.849 28.797
126 H LEU 18 H LEU 18 16.978 6.667 27.726
127 HA LEU 18 HA LEU 18 19.359 7.715 28.956
128 HB2 LEU 18 2HB LEU 18 18.862 5.038 27.653
129 HB3 LEU 18 1HB LEU 18 20.255 5.454 28.632
130 HG LEU 18 HG LEU 18 17.399 5.293 29.603
131 HD11 LEU 18 1HD1 LEU 18 18.193 3.360 30.866
132 HD12 LEU 18 2HD1 LEU 18 19.778 3.518 30.110
133 HD13 LEU 18 3HD1 LEU 18 18.370 3.117 29.128
134 HD21 LEU 18 3HD2 LEU 18 19.940 5.835 31.134
135 HD22 LEU 18 1HD2 LEU 18 18.329 5.641 31.824
136 HD23 LEU 18 2HD2 LEU 18 18.681 7.017 30.780
137 H GLY 19 H GLY 19 18.164 8.037 25.929
138 HA2 GLY 19 2HA GLY 19 20.871 8.366 24.817
139 HA3 GLY 19 1HA GLY 19 19.630 7.540 23.883
140 H LYS 20 H LYS 20 17.431 9.048 24.355
141 HA LYS 20 HA LYS 20 16.279 10.773 23.484
142 HB2 LYS 20 2HB LYS 20 18.490 12.189 24.922
143 HB3 LYS 20 1HB LYS 20 17.221 13.080 24.095
144 HG2 LYS 20 2HG LYS 20 15.545 11.887 25.475
145 HG3 LYS 20 1HG LYS 20 16.872 11.125 26.357
146 HD2 LYS 20 2HD LYS 20 16.064 13.053 27.583
147 HD3 LYS 20 1HD LYS 20 17.698 13.359 26.992
148 HE2 LYS 20 2HE LYS 20 16.476 15.340 26.587
149 HE3 LYS 20 1HE LYS 20 16.634 14.536 25.028
150 HZ1 LYS 20 3HZ LYS 20 14.401 15.312 25.267
151 HZ2 LYS 20 1HZ LYS 20 14.240 14.573 26.783
152 HZ3 LYS 20 2HZ LYS 20 14.367 13.621 25.390
153 H LEU 21 H LEU 21 19.465 12.275 23.000
154 HA LEU 21 HA LEU 21 18.719 13.788 20.856
155 HB2 LEU 21 2HB LEU 21 21.125 14.010 20.323
156 HB3 LEU 21 1HB LEU 21 20.734 14.263 22.010
157 HG LEU 21 HG LEU 21 21.440 11.735 22.241
158 HD11 LEU 21 1HD1 LEU 21 23.280 11.157 20.731
159 HD12 LEU 21 2HD1 LEU 21 22.943 12.600 19.774
160 HD13 LEU 21 3HD1 LEU 21 21.750 11.304 19.870
161 HD21 LEU 21 3HD2 LEU 21 22.520 13.613 23.351
162 HD22 LEU 21 1HD2 LEU 21 23.424 13.975 21.879
163 HD23 LEU 21 2HD2 LEU 21 23.714 12.465 22.744
164 H GLY 22 H GLY 22 19.754 10.433 20.695
165 HA2 GLY 22 2HA GLY 22 20.067 10.471 17.824
166 HA3 GLY 22 1HA GLY 22 20.128 9.054 18.862
167 H LYS 23 H LYS 23 17.563 11.441 18.603
168 HA LYS 23 HA LYS 23 15.792 10.225 16.874
169 HB2 LYS 23 2HB LYS 23 16.051 8.487 18.912
170 HB3 LYS 23 1HB LYS 23 14.817 9.527 19.599
171 HG2 LYS 23 2HG LYS 23 14.608 8.082 16.967
172 HG3 LYS 23 1HG LYS 23 13.886 7.559 18.486
173 HD2 LYS 23 2HD LYS 23 12.671 9.782 18.514
174 HD3 LYS 23 1HD LYS 23 13.215 9.994 16.850
175 HE2 LYS 23 2HE LYS 23 11.534 7.714 17.889
176 HE3 LYS 23 1HE LYS 23 10.946 9.084 16.952
177 HZ1 LYS 23 3HZ LYS 23 11.309 7.049 15.637
178 HZ2 LYS 23 1HZ LYS 23 12.966 7.139 15.971
179 HZ3 LYS 23 2HZ LYS 23 12.212 8.367 15.074
180 H ASP 24 H ASP 24 16.099 11.762 20.043
181 HA ASP 24 HA ASP 24 13.681 13.150 20.129
182 HB2 ASP 24 2HB ASP 24 15.242 12.916 22.042
183 HB3 ASP 24 1HB ASP 24 16.355 14.028 21.255
184 H ALA 25 H ALA 25 16.824 14.190 18.855
185 HA ALA 25 HA ALA 25 16.009 16.754 18.016
186 HB1 ALA 25 1HB ALA 25 18.356 16.141 18.295
187 HB2 ALA 25 2HB ALA 25 18.051 16.755 16.671
188 HB3 ALA 25 3HB ALA 25 18.233 15.022 16.939
189 H VAL 26 H VAL 26 15.813 13.600 16.531
190 HA VAL 26 HA VAL 26 15.080 14.541 13.928
191 HB VAL 26 HB VAL 26 14.612 11.804 15.132
192 HG11 VAL 26 1HG1 VAL 26 14.772 12.708 12.259
193 HG12 VAL 26 2HG1 VAL 26 13.315 12.208 13.116
194 HG13 VAL 26 3HG1 VAL 26 14.597 11.041 12.804
195 HG21 VAL 26 3HG2 VAL 26 16.960 12.339 15.300
196 HG22 VAL 26 1HG2 VAL 26 16.996 12.863 13.615
197 HG23 VAL 26 2HG2 VAL 26 16.721 11.165 14.005
198 H GLU 27 H GLU 27 13.388 13.367 16.788
199 HA GLU 27 HA GLU 27 10.779 13.271 15.798
200 HB2 GLU 27 2HB GLU 27 11.822 12.556 18.092
201 HB3 GLU 27 1HB GLU 27 11.397 14.181 18.598
202 HG2 GLU 27 2HG GLU 27 9.405 12.246 17.448
203 HG3 GLU 27 1HG GLU 27 9.755 12.363 19.168
204 H ASP 28 H ASP 28 12.612 15.925 17.241
205 HA ASP 28 HA ASP 28 10.648 17.904 17.231
206 HB2 ASP 28 2HB ASP 28 12.843 18.170 18.320
207 HB3 ASP 28 1HB ASP 28 13.622 18.221 16.742
208 H LEU 29 H LEU 29 12.887 16.898 14.688
209 HA LEU 29 HA LEU 29 12.046 18.844 12.790
210 HB2 LEU 29 2HB LEU 29 14.243 17.729 12.715
211 HB3 LEU 29 1HB LEU 29 13.452 16.203 12.373
212 HG LEU 29 HG LEU 29 12.626 17.113 10.238
213 HD11 LEU 29 1HD1 LEU 29 13.479 19.241 9.410
214 HD12 LEU 29 2HD1 LEU 29 14.267 19.537 10.959
215 HD13 LEU 29 3HD1 LEU 29 12.507 19.464 10.863
216 HD21 LEU 29 3HD2 LEU 29 14.784 17.175 9.087
217 HD22 LEU 29 1HD2 LEU 29 14.724 15.885 10.287
218 HD23 LEU 29 2HD2 LEU 29 15.604 17.373 10.636
219 H GLU 30 H GLU 30 11.175 15.485 13.445
220 HA GLU 30 HA GLU 30 9.410 15.275 11.203
221 HB2 GLU 30 2HB GLU 30 9.675 13.554 13.670
222 HB3 GLU 30 1HB GLU 30 8.689 13.152 12.271
223 HG2 GLU 30 2HG GLU 30 11.679 13.426 12.376
224 HG3 GLU 30 1HG GLU 30 10.746 11.951 12.122
225 H SER 31 H SER 31 9.143 17.004 13.988
226 HA SER 31 HA SER 31 6.323 16.658 14.416
227 HB2 SER 31 2HB SER 31 8.225 18.820 15.355
228 HB3 SER 31 1HB SER 31 6.545 18.666 15.869
229 HG SER 31 HG SER 31 8.497 16.619 16.196
230 H VAL 32 H VAL 32 8.384 19.141 12.899
231 HA VAL 32 HA VAL 32 6.144 20.660 11.973
232 HB VAL 32 HB VAL 32 7.771 21.972 10.677
233 HG11 VAL 32 1HG1 VAL 32 8.663 21.401 13.499
234 HG12 VAL 32 2HG1 VAL 32 7.387 22.520 13.017
235 HG13 VAL 32 3HG1 VAL 32 9.062 22.841 12.562
236 HG21 VAL 32 3HG2 VAL 32 9.794 19.970 11.678
237 HG22 VAL 32 1HG2 VAL 32 10.176 21.483 10.854
238 HG23 VAL 32 2HG2 VAL 32 9.297 20.212 10.003
239 H GLY 33 H GLY 33 7.967 17.985 10.767
240 HA2 GLY 33 2HA GLY 33 6.792 18.217 8.107
241 HA3 GLY 33 1HA GLY 33 7.928 16.981 8.639
242 H LYS 34 H LYS 34 5.956 16.985 11.098
243 HA LYS 34 HA LYS 34 4.303 15.673 11.895
244 HB2 LYS 34 2HB LYS 34 3.180 16.081 9.122
245 HB3 LYS 34 1HB LYS 34 2.287 15.392 10.473
246 HG2 LYS 34 2HG LYS 34 2.556 17.466 11.724
247 HG3 LYS 34 1HG LYS 34 3.475 18.157 10.388
248 HD2 LYS 34 2HD LYS 34 1.519 17.947 8.937
249 HD3 LYS 34 1HD LYS 34 0.601 17.255 10.277
250 HE2 LYS 34 2HE LYS 34 0.882 19.314 11.549
251 HE3 LYS 34 1HE LYS 34 1.843 20.000 10.239
252 HZ1 LYS 34 3HZ LYS 34 -1.015 19.206 10.059
253 HZ2 LYS 34 1HZ LYS 34 -0.090 19.863 8.796
254 HZ3 LYS 34 2HZ LYS 34 -0.429 20.795 10.169
255 H GLY 35 H GLY 35 6.617 14.482 10.371
256 HA2 GLY 35 2HA GLY 35 5.626 12.041 9.225
257 HA3 GLY 35 1HA GLY 35 7.306 12.424 9.585
258 H ALA 36 H ALA 36 6.573 13.118 12.380
259 HA ALA 36 HA ALA 36 7.165 10.630 13.556
260 HB1 ALA 36 1HB ALA 36 6.836 11.768 15.695
261 HB2 ALA 36 2HB ALA 36 6.103 13.135 14.856
262 HB3 ALA 36 3HB ALA 36 7.802 12.743 14.588
263 H VAL 37 H VAL 37 4.178 12.134 12.728
264 HA VAL 37 HA VAL 37 2.469 10.773 14.530
265 HB VAL 37 HB VAL 37 1.729 11.798 11.779
266 HG11 VAL 37 1HG1 VAL 37 -0.498 12.071 12.755
267 HG12 VAL 37 2HG1 VAL 37 0.081 11.391 14.275
268 HG13 VAL 37 3HG1 VAL 37 0.032 10.390 12.823
269 HG21 VAL 37 3HG2 VAL 37 1.808 13.288 14.402
270 HG22 VAL 37 1HG2 VAL 37 1.141 13.906 12.892
271 HG23 VAL 37 2HG2 VAL 37 2.866 13.557 13.016
272 H HIS 38 H HIS 38 3.964 9.913 11.519
273 HA HIS 38 HA HIS 38 2.236 7.591 11.138
274 HB2 HIS 38 2HB HIS 38 4.686 8.268 9.511
275 HB3 HIS 38 1HB HIS 38 3.306 7.288 9.038
276 HD1 HIS 38 1HD HIS 38 4.722 10.359 8.249
277 HD2 HIS 38 2HD HIS 38 0.832 9.177 9.128
278 HE1 HIS 38 1HE HIS 38 3.238 12.162 7.318
279 HE2 HIS 38 2HE HIS 38 0.903 11.271 7.609
280 H ASP 39 H ASP 39 5.700 8.259 11.404
281 HA ASP 39 HA ASP 39 6.600 5.637 11.345
282 HB2 ASP 39 2HB ASP 39 8.012 7.613 10.979
283 HB3 ASP 39 1HB ASP 39 7.888 8.019 12.685
284 H VAL 40 H VAL 40 6.060 7.680 14.228
285 HA VAL 40 HA VAL 40 7.061 5.863 16.097
286 HB VAL 40 HB VAL 40 4.957 7.997 16.505
287 HG11 VAL 40 1HG1 VAL 40 6.673 6.564 18.533
288 HG12 VAL 40 2HG1 VAL 40 4.931 6.371 18.327
289 HG13 VAL 40 3HG1 VAL 40 5.591 7.916 18.868
290 HG21 VAL 40 3HG2 VAL 40 6.848 9.346 17.315
291 HG22 VAL 40 1HG2 VAL 40 7.037 8.886 15.622
292 HG23 VAL 40 2HG2 VAL 40 7.951 8.043 16.873
293 H LYS 41 H LYS 41 3.789 6.240 14.826
294 HA LYS 41 HA LYS 41 2.648 4.282 16.582
295 HB2 LYS 41 2HB LYS 41 1.334 6.130 15.532
296 HB3 LYS 41 1HB LYS 41 1.552 5.352 13.970
297 HG2 LYS 41 2HG LYS 41 0.530 3.358 15.627
298 HG3 LYS 41 1HG LYS 41 -0.379 4.811 16.043
299 HD2 LYS 41 2HD LYS 41 -1.525 3.637 14.274
300 HD3 LYS 41 1HD LYS 41 -0.865 5.141 13.631
301 HE2 LYS 41 2HE LYS 41 0.967 3.969 12.614
302 HE3 LYS 41 1HE LYS 41 0.488 2.460 13.389
303 HZ1 LYS 41 3HZ LYS 41 -1.542 2.469 12.091
304 HZ2 LYS 41 1HZ LYS 41 -0.188 2.535 11.069
305 HZ3 LYS 41 2HZ LYS 41 -1.104 3.934 11.358
306 H ASP 42 H ASP 42 3.889 4.343 13.298
307 HA ASP 42 HA ASP 42 2.857 1.900 12.394
308 HB2 ASP 42 2HB ASP 42 3.780 3.638 10.917
309 HB3 ASP 42 1HB ASP 42 5.395 3.302 11.535
310 H VAL 43 H VAL 43 5.837 2.633 14.130
311 HA VAL 43 HA VAL 43 7.141 0.188 13.882
312 HB VAL 43 HB VAL 43 7.091 1.988 16.318
313 HG11 VAL 43 1HG1 VAL 43 7.958 -0.225 16.854
314 HG12 VAL 43 2HG1 VAL 43 9.252 0.971 16.865
315 HG13 VAL 43 3HG1 VAL 43 9.080 -0.127 15.497
316 HG21 VAL 43 3HG2 VAL 43 9.149 2.938 15.387
317 HG22 VAL 43 1HG2 VAL 43 7.780 3.171 14.300
318 HG23 VAL 43 2HG2 VAL 43 8.974 1.919 13.961
319 H LEU 44 H LEU 44 4.715 1.177 16.293
320 HA LEU 44 HA LEU 44 4.712 -1.353 17.627
321 HB2 LEU 44 2HB LEU 44 2.694 0.896 17.694
322 HB3 LEU 44 1HB LEU 44 2.695 -0.487 18.772
323 HG LEU 44 HG LEU 44 4.859 1.613 18.614
324 HD11 LEU 44 1HD1 LEU 44 2.782 2.444 19.601
325 HD12 LEU 44 2HD1 LEU 44 4.057 2.293 20.810
326 HD13 LEU 44 3HD1 LEU 44 2.773 1.087 20.726
327 HD21 LEU 44 3HD2 LEU 44 5.778 0.518 20.588
328 HD22 LEU 44 1HD2 LEU 44 5.734 -0.589 19.215
329 HD23 LEU 44 2HD2 LEU 44 4.525 -0.721 20.494
330 H ASP 45 H ASP 45 2.761 0.189 15.167
331 HA ASP 45 HA ASP 45 0.687 -1.692 14.982
332 HB2 ASP 45 2HB ASP 45 0.497 0.508 13.994
333 HB3 ASP 45 1HB ASP 45 1.858 0.192 12.925
334 H SER 46 H SER 46 3.917 -1.643 13.683
335 HA SER 46 HA SER 46 3.433 -3.804 11.840
336 HB2 SER 46 2HB SER 46 5.077 -1.916 11.447
337 HB3 SER 46 1HB SER 46 6.103 -2.655 12.675
338 HG SER 46 HG SER 46 5.671 -3.374 10.069
339 H VAL 47 H VAL 47 4.925 -3.400 15.024
340 HA VAL 47 HA VAL 47 6.074 -6.036 14.988
341 HB VAL 47 HB VAL 47 7.143 -4.143 16.175
342 HG11 VAL 47 1HG1 VAL 47 6.323 -3.492 18.397
343 HG12 VAL 47 2HG1 VAL 47 4.873 -4.461 18.134
344 HG13 VAL 47 3HG1 VAL 47 5.192 -3.058 17.115
345 HG21 VAL 47 3HG2 VAL 47 6.459 -6.514 17.909
346 HG22 VAL 47 1HG2 VAL 47 7.812 -5.411 18.163
347 HG23 VAL 47 2HG2 VAL 47 7.760 -6.426 16.723
348 H LEU 48 H LEU 48 3.085 -4.654 16.121
349 HA LEU 48 HA LEU 48 2.405 -7.264 17.307
350 HB2 LEU 48 2HB LEU 48 1.394 -4.537 18.117
351 HB3 LEU 48 1HB LEU 48 0.824 -6.058 18.777
352 HG LEU 48 HG LEU 48 3.626 -4.965 19.046
353 HD11 LEU 48 1HD1 LEU 48 1.404 -5.243 21.064
354 HD12 LEU 48 2HD1 LEU 48 2.006 -3.732 20.380
355 HD13 LEU 48 3HD1 LEU 48 3.051 -4.713 21.409
356 HD21 LEU 48 3HD2 LEU 48 3.983 -6.836 20.577
357 HD22 LEU 48 1HD2 LEU 48 3.604 -7.399 18.949
358 HD23 LEU 48 2HD2 LEU 48 2.370 -7.446 20.207
Start of MODEL 5
1 H1 SER 1 1HT SER 1 6.017 -2.851 21.655
2 H2 SER 1 2HT SER 1 6.072 -4.531 21.459
3 H3 SER 1 3HT SER 1 6.871 -3.523 20.362
4 HA SER 1 HA SER 1 7.545 -3.850 23.221
5 HB2 SER 1 2HB SER 1 9.151 -4.642 20.779
6 HB3 SER 1 1HB SER 1 9.497 -5.031 22.465
7 HG SER 1 HG SER 1 8.052 -6.587 22.427
8 H SER 2 H SER 2 8.489 -2.097 24.046
9 HA SER 2 HA SER 2 9.262 0.129 22.463
10 HB2 SER 2 2HB SER 2 9.964 -0.477 25.342
11 HB3 SER 2 1HB SER 2 10.048 1.100 24.556
12 HG SER 2 HG SER 2 8.099 1.219 25.413
13 H LEU 3 H LEU 3 10.820 -0.142 21.050
14 HA LEU 3 HA LEU 3 13.207 -1.589 21.509
15 HB2 LEU 3 2HB LEU 3 12.639 0.624 19.533
16 HB3 LEU 3 1HB LEU 3 14.026 -0.449 19.486
17 HG LEU 3 HG LEU 3 11.143 -1.288 19.146
18 HD11 LEU 3 1HD1 LEU 3 11.975 -0.021 17.242
19 HD12 LEU 3 2HD1 LEU 3 11.781 -1.725 16.827
20 HD13 LEU 3 3HD1 LEU 3 13.389 -1.072 17.146
21 HD21 LEU 3 3HD2 LEU 3 12.078 -3.472 18.537
22 HD22 LEU 3 1HD2 LEU 3 12.476 -3.036 20.199
23 HD23 LEU 3 2HD2 LEU 3 13.694 -2.890 18.934
24 H LEU 4 H LEU 4 15.332 -0.665 21.695
25 HA LEU 4 HA LEU 4 15.608 0.925 23.937
26 HB2 LEU 4 2HB LEU 4 17.587 0.331 21.748
27 HB3 LEU 4 1HB LEU 4 18.011 1.213 23.199
28 HG LEU 4 HG LEU 4 18.724 -1.015 23.536
29 HD11 LEU 4 1HD1 LEU 4 16.112 -0.608 24.972
30 HD12 LEU 4 2HD1 LEU 4 17.700 -0.032 25.483
31 HD13 LEU 4 3HD1 LEU 4 17.361 -1.763 25.434
32 HD21 LEU 4 3HD2 LEU 4 15.964 -1.914 22.712
33 HD22 LEU 4 1HD2 LEU 4 17.244 -2.961 23.325
34 HD23 LEU 4 2HD2 LEU 4 17.454 -2.122 21.788
35 H GLU 5 H GLU 5 16.030 1.887 20.531
36 HA GLU 5 HA GLU 5 16.767 4.543 21.064
37 HB2 GLU 5 2HB GLU 5 15.437 3.336 18.640
38 HB3 GLU 5 1HB GLU 5 16.057 4.980 18.704
39 HG2 GLU 5 2HG GLU 5 18.300 4.135 19.101
40 HG3 GLU 5 1HG GLU 5 17.689 2.479 19.092
41 H LYS 6 H LYS 6 13.586 3.397 19.901
42 HA LYS 6 HA LYS 6 12.379 5.930 20.279
43 HB2 LYS 6 2HB LYS 6 11.437 3.234 19.496
44 HB3 LYS 6 1HB LYS 6 10.227 4.313 20.176
45 HG2 LYS 6 2HG LYS 6 10.099 4.638 17.869
46 HG3 LYS 6 1HG LYS 6 11.008 6.023 18.467
47 HD2 LYS 6 2HD LYS 6 13.105 4.873 17.823
48 HD3 LYS 6 1HD LYS 6 12.143 3.559 17.139
49 HE2 LYS 6 2HE LYS 6 11.007 5.317 15.712
50 HE3 LYS 6 1HE LYS 6 12.258 6.432 16.253
51 HZ1 LYS 6 3HZ LYS 6 13.928 4.925 15.311
52 HZ2 LYS 6 1HZ LYS 6 12.836 5.477 14.134
53 HZ3 LYS 6 2HZ LYS 6 12.691 3.907 14.753
54 H GLY 7 H GLY 7 12.686 3.122 22.347
55 HA2 GLY 7 2HA GLY 7 10.553 3.936 24.104
56 HA3 GLY 7 1HA GLY 7 11.648 2.586 24.344
57 H LEU 8 H LEU 8 14.082 4.137 24.170
58 HA LEU 8 HA LEU 8 13.936 5.248 26.872
59 HB2 LEU 8 2HB LEU 8 15.551 3.413 26.310
60 HB3 LEU 8 1HB LEU 8 16.387 4.538 25.260
61 HG LEU 8 HG LEU 8 16.025 5.249 28.146
62 HD11 LEU 8 1HD1 LEU 8 18.096 4.074 28.684
63 HD12 LEU 8 2HD1 LEU 8 18.141 3.400 27.054
64 HD13 LEU 8 3HD1 LEU 8 16.841 2.948 28.158
65 HD21 LEU 8 3HD2 LEU 8 16.982 6.895 26.597
66 HD22 LEU 8 1HD2 LEU 8 18.230 5.738 26.143
67 HD23 LEU 8 2HD2 LEU 8 18.171 6.368 27.788
68 H ASP 9 H ASP 9 15.269 6.083 23.662
69 HA ASP 9 HA ASP 9 15.861 8.765 24.635
70 HB2 ASP 9 2HB ASP 9 17.526 7.689 23.215
71 HB3 ASP 9 1HB ASP 9 16.340 7.505 21.925
72 H GLY 10 H GLY 10 13.953 7.314 22.005
73 HA2 GLY 10 2HA GLY 10 12.898 9.713 21.007
74 HA3 GLY 10 1HA GLY 10 12.201 8.121 20.768
75 H ALA 11 H ALA 11 11.843 7.745 23.690
76 HA ALA 11 HA ALA 11 9.202 8.780 23.847
77 HB1 ALA 11 1HB ALA 11 9.832 6.630 24.837
78 HB2 ALA 11 2HB ALA 11 9.104 7.708 26.028
79 HB3 ALA 11 3HB ALA 11 10.851 7.470 26.006
80 H LYS 12 H LYS 12 12.159 10.234 24.495
81 HA LYS 12 HA LYS 12 11.229 11.844 26.709
82 HB2 LYS 12 2HB LYS 12 13.789 11.770 25.147
83 HB3 LYS 12 1HB LYS 12 13.448 13.066 26.284
84 HG2 LYS 12 2HG LYS 12 13.067 11.260 28.017
85 HG3 LYS 12 1HG LYS 12 13.760 10.133 26.847
86 HD2 LYS 12 2HD LYS 12 15.176 12.642 27.716
87 HD3 LYS 12 1HD LYS 12 15.347 11.113 28.581
88 HE2 LYS 12 2HE LYS 12 15.889 11.417 25.635
89 HE3 LYS 12 1HE LYS 12 17.129 11.618 26.872
90 HZ1 LYS 12 3HZ LYS 12 15.571 9.160 26.284
91 HZ2 LYS 12 1HZ LYS 12 16.579 9.337 27.635
92 HZ3 LYS 12 2HZ LYS 12 17.239 9.400 26.080
93 H LYS 13 H LYS 13 10.438 11.897 23.586
94 HA LYS 13 HA LYS 13 10.692 14.506 22.684
95 HB2 LYS 13 2HB LYS 13 8.556 12.431 22.326
96 HB3 LYS 13 1HB LYS 13 8.348 14.037 21.648
97 HG2 LYS 13 2HG LYS 13 10.351 13.764 20.312
98 HG3 LYS 13 1HG LYS 13 10.641 12.181 21.041
99 HD2 LYS 13 2HD LYS 13 8.687 11.268 20.041
100 HD3 LYS 13 1HD LYS 13 8.113 12.863 19.556
101 HE2 LYS 13 2HE LYS 13 10.598 11.513 18.503
102 HE3 LYS 13 1HE LYS 13 9.042 11.562 17.675
103 HZ1 LYS 13 3HZ LYS 13 9.864 13.399 16.732
104 HZ2 LYS 13 1HZ LYS 13 11.064 13.611 17.918
105 HZ3 LYS 13 2HZ LYS 13 9.485 14.163 18.199
106 H ALA 14 H ALA 14 8.118 13.136 24.713
107 HA ALA 14 HA ALA 14 6.889 15.731 25.061
108 HB1 ALA 14 1HB ALA 14 5.491 13.746 24.829
109 HB2 ALA 14 2HB ALA 14 5.229 14.522 26.390
110 HB3 ALA 14 3HB ALA 14 6.208 13.060 26.286
111 H VAL 15 H VAL 15 9.348 13.979 26.551
112 HA VAL 15 HA VAL 15 8.874 14.950 29.234
113 HB VAL 15 HB VAL 15 11.296 13.510 28.133
114 HG11 VAL 15 1HG1 VAL 15 11.783 12.999 30.483
115 HG12 VAL 15 2HG1 VAL 15 10.409 13.990 30.976
116 HG13 VAL 15 3HG1 VAL 15 11.793 14.735 30.176
117 HG21 VAL 15 3HG2 VAL 15 9.304 12.139 27.907
118 HG22 VAL 15 1HG2 VAL 15 8.892 12.426 29.597
119 HG23 VAL 15 2HG2 VAL 15 10.339 11.507 29.186
120 H GLY 16 H GLY 16 11.450 15.362 26.797
121 HA2 GLY 16 2HA GLY 16 11.935 18.045 27.923
122 HA3 GLY 16 1HA GLY 16 13.273 16.941 27.637
123 H GLY 17 H GLY 17 10.393 17.775 25.726
124 HA2 GLY 17 2HA GLY 17 12.218 18.448 23.505
125 HA3 GLY 17 1HA GLY 17 10.614 17.763 23.289
126 H LEU 18 H LEU 18 8.934 19.225 24.659
127 HA LEU 18 HA LEU 18 8.638 21.523 23.096
128 HB2 LEU 18 2HB LEU 18 6.708 22.037 24.420
129 HB3 LEU 18 1HB LEU 18 6.770 20.310 24.147
130 HG LEU 18 HG LEU 18 7.712 21.575 26.721
131 HD11 LEU 18 1HD1 LEU 18 5.540 20.967 27.661
132 HD12 LEU 18 2HD1 LEU 18 4.986 20.461 26.065
133 HD13 LEU 18 3HD1 LEU 18 5.370 22.157 26.368
134 HD21 LEU 18 3HD2 LEU 18 6.888 18.758 26.005
135 HD22 LEU 18 1HD2 LEU 18 7.336 19.316 27.617
136 HD23 LEU 18 2HD2 LEU 18 8.531 19.315 26.321
137 H GLY 19 H GLY 19 10.250 21.076 26.140
138 HA2 GLY 19 2HA GLY 19 10.512 23.999 26.419
139 HA3 GLY 19 1HA GLY 19 10.713 22.842 27.727
140 H LYS 20 H LYS 20 12.078 22.232 24.585
141 HA LYS 20 HA LYS 20 14.725 23.117 25.450
142 HB2 LYS 20 2HB LYS 20 14.397 20.750 26.203
143 HB3 LYS 20 1HB LYS 20 14.173 20.293 24.521
144 HG2 LYS 20 2HG LYS 20 16.456 21.090 24.031
145 HG3 LYS 20 1HG LYS 20 16.666 21.449 25.747
146 HD2 LYS 20 2HD LYS 20 16.198 19.065 26.253
147 HD3 LYS 20 1HD LYS 20 16.145 18.744 24.520
148 HE2 LYS 20 2HE LYS 20 18.318 18.144 25.327
149 HE3 LYS 20 1HE LYS 20 18.475 19.605 24.353
150 HZ1 LYS 20 3HZ LYS 20 19.759 19.664 26.442
151 HZ2 LYS 20 1HZ LYS 20 18.310 19.580 27.319
152 HZ3 LYS 20 2HZ LYS 20 18.626 20.923 26.332
153 H LEU 21 H LEU 21 15.403 24.350 23.819
154 HA LEU 21 HA LEU 21 14.207 24.398 21.276
155 HB2 LEU 21 2HB LEU 21 16.710 25.591 22.395
156 HB3 LEU 21 1HB LEU 21 16.412 25.676 20.672
157 HG LEU 21 HG LEU 21 14.231 26.806 21.178
158 HD11 LEU 21 1HD1 LEU 21 15.380 26.989 23.958
159 HD12 LEU 21 2HD1 LEU 21 13.968 26.045 23.483
160 HD13 LEU 21 3HD1 LEU 21 13.930 27.804 23.373
161 HD21 LEU 21 3HD2 LEU 21 15.263 28.973 21.670
162 HD22 LEU 21 1HD2 LEU 21 16.182 28.059 20.472
163 HD23 LEU 21 2HD2 LEU 21 16.750 28.149 22.139
164 H GLY 22 H GLY 22 17.203 22.872 22.378
165 HA2 GLY 22 2HA GLY 22 18.072 22.021 19.816
166 HA3 GLY 22 1HA GLY 22 18.609 21.374 21.357
167 H LYS 23 H LYS 23 15.397 21.023 21.521
168 HA LYS 23 HA LYS 23 15.475 18.354 20.278
169 HB2 LYS 23 2HB LYS 23 14.927 19.053 22.914
170 HB3 LYS 23 1HB LYS 23 13.340 18.780 22.212
171 HG2 LYS 23 2HG LYS 23 15.635 16.839 22.248
172 HG3 LYS 23 1HG LYS 23 14.168 16.754 23.220
173 HD2 LYS 23 2HD LYS 23 12.836 16.501 21.177
174 HD3 LYS 23 1HD LYS 23 14.311 16.578 20.209
175 HE2 LYS 23 2HE LYS 23 13.691 14.495 22.299
176 HE3 LYS 23 1HE LYS 23 13.546 14.272 20.557
177 HZ1 LYS 23 3HZ LYS 23 15.899 14.571 20.319
178 HZ2 LYS 23 1HZ LYS 23 15.626 13.378 21.486
179 HZ3 LYS 23 2HZ LYS 23 16.084 14.944 21.959
180 H ASP 24 H ASP 24 13.350 21.085 21.036
181 HA ASP 24 HA ASP 24 11.136 20.271 19.537
182 HB2 ASP 24 2HB ASP 24 10.970 22.040 21.181
183 HB3 ASP 24 1HB ASP 24 12.090 23.046 20.264
184 H ALA 25 H ALA 25 14.020 22.051 18.597
185 HA ALA 25 HA ALA 25 13.092 23.079 16.168
186 HB1 ALA 25 1HB ALA 25 15.921 22.333 16.879
187 HB2 ALA 25 2HB ALA 25 15.123 23.850 17.295
188 HB3 ALA 25 3HB ALA 25 15.413 23.442 15.605
189 H VAL 26 H VAL 26 14.403 19.889 16.921
190 HA VAL 26 HA VAL 26 14.808 19.245 14.146
191 HB VAL 26 HB VAL 26 16.168 18.241 15.996
192 HG11 VAL 26 1HG1 VAL 26 13.694 16.587 16.479
193 HG12 VAL 26 2HG1 VAL 26 14.408 17.755 17.591
194 HG13 VAL 26 3HG1 VAL 26 15.286 16.284 17.174
195 HG21 VAL 26 3HG2 VAL 26 16.285 16.007 14.972
196 HG22 VAL 26 1HG2 VAL 26 16.220 17.302 13.775
197 HG23 VAL 26 2HG2 VAL 26 14.779 16.342 14.115
198 H GLU 27 H GLU 27 12.222 18.977 16.440
199 HA GLU 27 HA GLU 27 10.758 16.983 14.997
200 HB2 GLU 27 2HB GLU 27 9.843 18.892 17.154
201 HB3 GLU 27 1HB GLU 27 8.886 17.563 16.515
202 HG2 GLU 27 2HG GLU 27 10.761 16.037 17.258
203 HG3 GLU 27 1HG GLU 27 11.409 17.425 18.131
204 H ASP 28 H ASP 28 11.268 20.289 14.574
205 HA ASP 28 HA ASP 28 8.846 21.186 13.509
206 HB2 ASP 28 2HB ASP 28 10.712 22.690 14.015
207 HB3 ASP 28 1HB ASP 28 11.667 21.955 12.732
208 H LEU 29 H LEU 29 11.508 19.432 12.008
209 HA LEU 29 HA LEU 29 10.504 19.604 9.348
210 HB2 LEU 29 2HB LEU 29 12.867 19.267 9.786
211 HB3 LEU 29 1HB LEU 29 12.530 17.748 10.593
212 HG LEU 29 HG LEU 29 11.688 16.841 8.427
213 HD11 LEU 29 1HD1 LEU 29 12.787 19.417 7.309
214 HD12 LEU 29 2HD1 LEU 29 11.087 18.949 7.359
215 HD13 LEU 29 3HD1 LEU 29 12.225 18.038 6.364
216 HD21 LEU 29 3HD2 LEU 29 13.970 16.409 9.190
217 HD22 LEU 29 1HD2 LEU 29 14.518 17.880 8.388
218 HD23 LEU 29 2HD2 LEU 29 13.891 16.537 7.434
219 H GLU 30 H GLU 30 10.384 17.092 11.853
220 HA GLU 30 HA GLU 30 9.123 15.195 10.139
221 HB2 GLU 30 2HB GLU 30 8.756 13.910 12.265
222 HB3 GLU 30 1HB GLU 30 10.427 14.337 11.933
223 HG2 GLU 30 2HG GLU 30 10.262 16.195 13.515
224 HG3 GLU 30 1HG GLU 30 8.589 15.752 13.851
225 H SER 31 H SER 31 7.950 17.636 12.356
226 HA SER 31 HA SER 31 5.302 16.638 12.557
227 HB2 SER 31 2HB SER 31 6.247 18.201 14.204
228 HB3 SER 31 1HB SER 31 6.319 19.460 12.971
229 HG SER 31 HG SER 31 4.303 18.893 14.557
230 H VAL 32 H VAL 32 6.776 19.148 10.501
231 HA VAL 32 HA VAL 32 4.353 19.997 9.326
232 HB VAL 32 HB VAL 32 6.458 21.332 9.355
233 HG11 VAL 32 1HG1 VAL 32 7.315 19.471 7.145
234 HG12 VAL 32 2HG1 VAL 32 8.045 19.595 8.747
235 HG13 VAL 32 3HG1 VAL 32 8.145 20.951 7.623
236 HG21 VAL 32 3HG2 VAL 32 5.202 20.907 6.647
237 HG22 VAL 32 1HG2 VAL 32 6.175 22.304 7.108
238 HG23 VAL 32 2HG2 VAL 32 4.636 21.997 7.910
239 H GLY 33 H GLY 33 6.375 17.275 8.704
240 HA2 GLY 33 2HA GLY 33 5.111 16.845 6.088
241 HA3 GLY 33 1HA GLY 33 6.561 16.040 6.661
242 H LYS 34 H LYS 34 4.163 16.250 9.029
243 HA LYS 34 HA LYS 34 2.723 14.796 10.003
244 HB2 LYS 34 2HB LYS 34 2.526 13.547 7.257
245 HB3 LYS 34 1HB LYS 34 1.428 13.260 8.599
246 HG2 LYS 34 2HG LYS 34 0.744 15.601 8.553
247 HG3 LYS 34 1HG LYS 34 1.851 15.898 7.210
248 HD2 LYS 34 2HD LYS 34 -0.355 15.596 6.320
249 HD3 LYS 34 1HD LYS 34 0.613 14.183 5.897
250 HE2 LYS 34 2HE LYS 34 -1.509 13.382 6.611
251 HE3 LYS 34 1HE LYS 34 -0.361 13.030 7.902
252 HZ1 LYS 34 3HZ LYS 34 -1.155 15.038 9.056
253 HZ2 LYS 34 1HZ LYS 34 -2.391 13.899 8.816
254 HZ3 LYS 34 2HZ LYS 34 -2.306 15.278 7.834
255 H GLY 35 H GLY 35 5.702 14.034 9.241
256 HA2 GLY 35 2HA GLY 35 5.685 11.164 9.384
257 HA3 GLY 35 1HA GLY 35 7.097 12.207 9.479
258 H ALA 36 H ALA 36 5.851 13.778 11.654
259 HA ALA 36 HA ALA 36 7.062 12.540 13.838
260 HB1 ALA 36 1HB ALA 36 4.874 14.614 13.885
261 HB2 ALA 36 2HB ALA 36 6.596 14.945 13.697
262 HB3 ALA 36 3HB ALA 36 5.991 14.244 15.198
263 H VAL 37 H VAL 37 3.690 12.514 12.794
264 HA VAL 37 HA VAL 37 2.904 10.944 15.105
265 HB VAL 37 HB VAL 37 1.388 12.699 14.304
266 HG11 VAL 37 1HG1 VAL 37 1.904 12.627 11.936
267 HG12 VAL 37 2HG1 VAL 37 0.170 12.433 12.195
268 HG13 VAL 37 3HG1 VAL 37 1.168 11.033 11.804
269 HG21 VAL 37 3HG2 VAL 37 -0.687 11.360 14.208
270 HG22 VAL 37 1HG2 VAL 37 0.409 10.828 15.484
271 HG23 VAL 37 2HG2 VAL 37 0.289 9.907 13.987
272 H HIS 38 H HIS 38 3.718 10.455 11.762
273 HA HIS 38 HA HIS 38 2.343 7.937 11.541
274 HB2 HIS 38 2HB HIS 38 2.806 9.585 9.639
275 HB3 HIS 38 1HB HIS 38 4.459 8.985 9.668
276 HD1 HIS 38 1HD HIS 38 4.566 6.193 9.366
277 HD2 HIS 38 2HD HIS 38 1.218 8.227 7.944
278 HE1 HIS 38 1HE HIS 38 3.485 4.653 7.704
279 HE2 HIS 38 2HE HIS 38 1.592 5.982 6.707
280 H ASP 39 H ASP 39 5.742 8.975 11.739
281 HA ASP 39 HA ASP 39 6.944 6.521 11.232
282 HB2 ASP 39 2HB ASP 39 8.098 8.733 11.282
283 HB3 ASP 39 1HB ASP 39 8.030 8.689 13.040
284 H VAL 40 H VAL 40 6.077 7.947 14.357
285 HA VAL 40 HA VAL 40 7.157 5.878 15.937
286 HB VAL 40 HB VAL 40 6.664 8.115 16.828
287 HG11 VAL 40 1HG1 VAL 40 4.382 8.769 17.398
288 HG12 VAL 40 2HG1 VAL 40 3.765 7.316 16.610
289 HG13 VAL 40 3HG1 VAL 40 4.577 8.558 15.657
290 HG21 VAL 40 3HG2 VAL 40 5.683 7.413 18.975
291 HG22 VAL 40 1HG2 VAL 40 6.910 6.287 18.394
292 HG23 VAL 40 2HG2 VAL 40 5.200 5.885 18.236
293 H LYS 41 H LYS 41 4.128 6.197 14.248
294 HA LYS 41 HA LYS 41 2.909 4.028 15.757
295 HB2 LYS 41 2HB LYS 41 1.830 5.660 13.454
296 HB3 LYS 41 1HB LYS 41 0.915 4.475 14.376
297 HG2 LYS 41 2HG LYS 41 2.118 7.011 15.468
298 HG3 LYS 41 1HG LYS 41 0.412 6.739 15.102
299 HD2 LYS 41 2HD LYS 41 0.249 5.062 16.800
300 HD3 LYS 41 1HD LYS 41 1.993 5.091 17.063
301 HE2 LYS 41 2HE LYS 41 0.856 6.302 18.824
302 HE3 LYS 41 1HE LYS 41 1.832 7.399 17.851
303 HZ1 LYS 41 3HZ LYS 41 -1.096 7.016 17.531
304 HZ2 LYS 41 1HZ LYS 41 -0.133 8.153 16.726
305 HZ3 LYS 41 2HZ LYS 41 -0.379 8.281 18.396
306 H ASP 42 H ASP 42 4.954 4.304 13.149
307 HA ASP 42 HA ASP 42 3.954 2.264 11.450
308 HB2 ASP 42 2HB ASP 42 6.623 3.589 11.792
309 HB3 ASP 42 1HB ASP 42 6.488 2.151 10.787
310 H VAL 43 H VAL 43 6.105 2.272 14.229
311 HA VAL 43 HA VAL 43 6.845 -0.466 13.911
312 HB VAL 43 HB VAL 43 8.389 1.034 15.005
313 HG11 VAL 43 1HG1 VAL 43 7.979 1.966 17.218
314 HG12 VAL 43 2HG1 VAL 43 6.341 1.316 17.197
315 HG13 VAL 43 3HG1 VAL 43 6.806 2.569 16.047
316 HG21 VAL 43 3HG2 VAL 43 8.907 -0.287 17.008
317 HG22 VAL 43 1HG2 VAL 43 8.509 -1.301 15.620
318 HG23 VAL 43 2HG2 VAL 43 7.322 -1.050 16.899
319 H LEU 44 H LEU 44 4.537 1.247 16.018
320 HA LEU 44 HA LEU 44 3.804 -1.218 17.311
321 HB2 LEU 44 2HB LEU 44 2.098 0.173 18.498
322 HB3 LEU 44 1HB LEU 44 3.765 0.646 18.738
323 HG LEU 44 HG LEU 44 2.917 2.245 16.623
324 HD11 LEU 44 1HD1 LEU 44 0.755 2.053 18.718
325 HD12 LEU 44 2HD1 LEU 44 0.603 1.617 17.015
326 HD13 LEU 44 3HD1 LEU 44 0.870 3.299 17.477
327 HD21 LEU 44 3HD2 LEU 44 3.034 2.850 19.578
328 HD22 LEU 44 1HD2 LEU 44 3.062 4.043 18.281
329 HD23 LEU 44 2HD2 LEU 44 4.393 2.898 18.455
330 H ASP 45 H ASP 45 3.300 -2.271 15.357
331 HA ASP 45 HA ASP 45 0.468 -2.509 15.070
332 HB2 ASP 45 2HB ASP 45 0.823 -0.697 13.447
333 HB3 ASP 45 1HB ASP 45 2.069 -1.649 12.641
334 H SER 46 H SER 46 3.515 -3.197 13.400
335 HA SER 46 HA SER 46 2.899 -6.017 13.243
336 HB2 SER 46 2HB SER 46 4.228 -4.823 11.469
337 HB3 SER 46 1HB SER 46 5.525 -4.619 12.647
338 HG SER 46 HG SER 46 4.509 -7.196 12.268
339 H VAL 47 H VAL 47 5.169 -3.893 14.935
340 HA VAL 47 HA VAL 47 5.736 -6.013 16.877
341 HB VAL 47 HB VAL 47 7.020 -3.278 16.698
342 HG11 VAL 47 1HG1 VAL 47 7.838 -5.784 18.160
343 HG12 VAL 47 2HG1 VAL 47 7.194 -4.313 18.887
344 HG13 VAL 47 3HG1 VAL 47 8.766 -4.286 18.090
345 HG21 VAL 47 3HG2 VAL 47 8.042 -5.906 15.624
346 HG22 VAL 47 1HG2 VAL 47 8.907 -4.369 15.613
347 HG23 VAL 47 2HG2 VAL 47 7.441 -4.562 14.651
348 H LEU 48 H LEU 48 3.924 -6.049 18.140
349 HA LEU 48 HA LEU 48 2.567 -3.686 18.966
350 HB2 LEU 48 2HB LEU 48 1.490 -5.926 18.686
351 HB3 LEU 48 1HB LEU 48 2.342 -6.469 20.119
352 HG LEU 48 HG LEU 48 1.141 -4.794 21.463
353 HD11 LEU 48 1HD1 LEU 48 -0.322 -4.188 18.895
354 HD12 LEU 48 2HD1 LEU 48 0.806 -3.113 19.723
355 HD13 LEU 48 3HD1 LEU 48 -0.723 -3.549 20.490
356 HD21 LEU 48 3HD2 LEU 48 0.221 -7.040 21.253
357 HD22 LEU 48 1HD2 LEU 48 -0.647 -6.563 19.794
358 HD23 LEU 48 2HD2 LEU 48 -1.074 -5.847 21.348
Start of MODEL 6
1 H1 SER 1 1HT SER 1 16.683 7.683 -29.282
2 H2 SER 1 2HT SER 1 16.210 6.626 -30.523
3 H3 SER 1 3HT SER 1 17.553 6.255 -29.560
4 HA SER 1 HA SER 1 15.610 4.947 -28.951
5 HB2 SER 1 2HB SER 1 16.391 6.970 -26.837
6 HB3 SER 1 1HB SER 1 15.809 5.327 -26.565
7 HG SER 1 HG SER 1 18.144 5.625 -26.437
8 H SER 2 H SER 2 13.460 4.868 -28.271
9 HA SER 2 HA SER 2 11.908 7.041 -27.461
10 HB2 SER 2 2HB SER 2 12.330 7.856 -29.790
11 HB3 SER 2 1HB SER 2 11.533 6.408 -30.401
12 HG SER 2 HG SER 2 9.901 7.820 -30.324
13 H LEU 3 H LEU 3 10.301 6.099 -26.393
14 HA LEU 3 HA LEU 3 9.342 3.467 -27.119
15 HB2 LEU 3 2HB LEU 3 8.537 5.439 -24.977
16 HB3 LEU 3 1HB LEU 3 7.644 3.959 -25.263
17 HG LEU 3 HG LEU 3 9.775 2.695 -24.785
18 HD11 LEU 3 1HD1 LEU 3 11.370 4.494 -25.161
19 HD12 LEU 3 2HD1 LEU 3 11.515 3.853 -23.523
20 HD13 LEU 3 3HD1 LEU 3 10.693 5.388 -23.801
21 HD21 LEU 3 3HD2 LEU 3 8.002 2.862 -23.146
22 HD22 LEU 3 1HD2 LEU 3 8.609 4.429 -22.611
23 HD23 LEU 3 2HD2 LEU 3 9.570 2.975 -22.350
24 H LEU 4 H LEU 4 8.321 6.793 -27.245
25 HA LEU 4 HA LEU 4 6.658 6.437 -29.503
26 HB2 LEU 4 2HB LEU 4 5.241 5.574 -27.531
27 HB3 LEU 4 1HB LEU 4 5.192 7.241 -26.992
28 HG LEU 4 HG LEU 4 4.098 7.886 -29.102
29 HD11 LEU 4 1HD1 LEU 4 4.993 6.171 -30.564
30 HD12 LEU 4 2HD1 LEU 4 3.229 6.135 -30.589
31 HD13 LEU 4 3HD1 LEU 4 4.123 4.922 -29.670
32 HD21 LEU 4 3HD2 LEU 4 2.727 5.637 -27.632
33 HD22 LEU 4 1HD2 LEU 4 1.933 6.851 -28.641
34 HD23 LEU 4 2HD2 LEU 4 2.747 7.335 -27.152
35 H GLU 5 H GLU 5 5.538 8.656 -29.935
36 HA GLU 5 HA GLU 5 7.560 10.520 -30.125
37 HB2 GLU 5 2HB GLU 5 5.378 12.128 -30.375
38 HB3 GLU 5 1HB GLU 5 6.066 11.149 -31.655
39 HG2 GLU 5 2HG GLU 5 3.750 10.792 -31.711
40 HG3 GLU 5 1HG GLU 5 4.442 9.341 -31.008
41 H LYS 6 H LYS 6 4.795 10.700 -27.856
42 HA LYS 6 HA LYS 6 6.501 12.440 -26.188
43 HB2 LYS 6 2HB LYS 6 4.365 13.084 -25.034
44 HB3 LYS 6 1HB LYS 6 4.487 13.603 -26.707
45 HG2 LYS 6 2HG LYS 6 3.024 11.827 -27.413
46 HG3 LYS 6 1HG LYS 6 2.977 11.172 -25.774
47 HD2 LYS 6 2HD LYS 6 1.748 13.003 -24.964
48 HD3 LYS 6 1HD LYS 6 2.117 13.985 -26.383
49 HE2 LYS 6 2HE LYS 6 0.449 11.477 -26.431
50 HE3 LYS 6 1HE LYS 6 -0.209 13.111 -26.331
51 HZ1 LYS 6 3HZ LYS 6 0.917 13.611 -28.443
52 HZ2 LYS 6 1HZ LYS 6 -0.227 12.372 -28.602
53 HZ3 LYS 6 2HZ LYS 6 1.426 11.999 -28.554
54 H GLY 7 H GLY 7 5.684 9.340 -26.549
55 HA2 GLY 7 2HA GLY 7 5.148 8.560 -23.844
56 HA3 GLY 7 1HA GLY 7 5.623 7.495 -25.160
57 H LEU 8 H LEU 8 8.018 9.042 -25.782
58 HA LEU 8 HA LEU 8 9.867 7.745 -24.110
59 HB2 LEU 8 2HB LEU 8 10.356 8.507 -26.409
60 HB3 LEU 8 1HB LEU 8 10.298 10.169 -25.859
61 HG LEU 8 HG LEU 8 12.233 9.712 -24.368
62 HD11 LEU 8 1HD1 LEU 8 12.256 7.054 -25.785
63 HD12 LEU 8 2HD1 LEU 8 11.934 7.324 -24.073
64 HD13 LEU 8 3HD1 LEU 8 13.532 7.664 -24.734
65 HD21 LEU 8 3HD2 LEU 8 12.656 9.109 -27.292
66 HD22 LEU 8 1HD2 LEU 8 13.905 9.616 -26.157
67 HD23 LEU 8 2HD2 LEU 8 12.583 10.710 -26.557
68 H ASP 9 H ASP 9 8.796 11.137 -24.209
69 HA ASP 9 HA ASP 9 10.284 11.873 -21.876
70 HB2 ASP 9 2HB ASP 9 8.059 13.259 -23.383
71 HB3 ASP 9 1HB ASP 9 8.833 13.952 -21.960
72 H GLY 10 H GLY 10 7.149 10.534 -22.500
73 HA2 GLY 10 2HA GLY 10 5.860 11.114 -20.082
74 HA3 GLY 10 1HA GLY 10 5.553 9.697 -21.079
75 H ALA 11 H ALA 11 8.237 8.652 -20.889
76 HA ALA 11 HA ALA 11 8.060 7.158 -18.505
77 HB1 ALA 11 1HB ALA 11 10.451 7.566 -20.302
78 HB2 ALA 11 2HB ALA 11 9.197 6.343 -20.516
79 HB3 ALA 11 3HB ALA 11 10.255 6.282 -19.105
80 H LYS 12 H LYS 12 9.591 10.193 -19.273
81 HA LYS 12 HA LYS 12 11.241 10.269 -16.925
82 HB2 LYS 12 2HB LYS 12 10.489 12.257 -19.030
83 HB3 LYS 12 1HB LYS 12 11.176 12.835 -17.524
84 HG2 LYS 12 2HG LYS 12 13.015 12.677 -18.906
85 HG3 LYS 12 1HG LYS 12 13.078 11.162 -18.009
86 HD2 LYS 12 2HD LYS 12 11.560 11.127 -20.543
87 HD3 LYS 12 1HD LYS 12 13.308 11.323 -20.682
88 HE2 LYS 12 2HE LYS 12 13.572 9.302 -19.247
89 HE3 LYS 12 1HE LYS 12 11.822 9.084 -19.319
90 HZ1 LYS 12 3HZ LYS 12 13.643 9.115 -21.668
91 HZ2 LYS 12 1HZ LYS 12 11.968 8.867 -21.712
92 HZ3 LYS 12 2HZ LYS 12 12.974 7.722 -20.965
93 H LYS 13 H LYS 13 7.962 11.006 -17.695
94 HA LYS 13 HA LYS 13 7.569 12.881 -15.564
95 HB2 LYS 13 2HB LYS 13 5.559 11.419 -17.283
96 HB3 LYS 13 1HB LYS 13 5.182 12.741 -16.184
97 HG2 LYS 13 2HG LYS 13 6.666 14.211 -17.503
98 HG3 LYS 13 1HG LYS 13 6.929 12.881 -18.634
99 HD2 LYS 13 2HD LYS 13 5.231 14.348 -19.518
100 HD3 LYS 13 1HD LYS 13 4.489 12.815 -19.056
101 HE2 LYS 13 2HE LYS 13 3.725 13.819 -16.958
102 HE3 LYS 13 1HE LYS 13 4.466 15.349 -17.422
103 HZ1 LYS 13 3HZ LYS 13 2.292 13.992 -18.926
104 HZ2 LYS 13 1HZ LYS 13 2.963 15.508 -19.281
105 HZ3 LYS 13 2HZ LYS 13 2.073 15.293 -17.857
106 H ALA 14 H ALA 14 7.650 9.480 -15.756
107 HA ALA 14 HA ALA 14 5.940 8.871 -13.567
108 HB1 ALA 14 1HB ALA 14 7.101 6.720 -13.513
109 HB2 ALA 14 2HB ALA 14 8.339 7.355 -14.598
110 HB3 ALA 14 3HB ALA 14 6.680 7.173 -15.164
111 H VAL 15 H VAL 15 9.292 9.772 -13.900
112 HA VAL 15 HA VAL 15 9.425 10.250 -10.999
113 HB VAL 15 HB VAL 15 11.935 9.872 -11.230
114 HG11 VAL 15 1HG1 VAL 15 10.506 8.265 -10.102
115 HG12 VAL 15 2HG1 VAL 15 11.747 7.427 -11.034
116 HG13 VAL 15 3HG1 VAL 15 10.094 7.517 -11.643
117 HG21 VAL 15 3HG2 VAL 15 12.088 9.964 -13.665
118 HG22 VAL 15 1HG2 VAL 15 11.074 8.527 -13.795
119 HG23 VAL 15 2HG2 VAL 15 12.673 8.414 -13.064
120 H GLY 16 H GLY 16 8.462 12.275 -12.040
121 HA2 GLY 16 2HA GLY 16 10.051 13.750 -13.900
122 HA3 GLY 16 1HA GLY 16 8.541 14.267 -13.176
123 H GLY 17 H GLY 17 11.038 13.341 -10.998
124 HA2 GLY 17 2HA GLY 17 11.223 15.957 -9.890
125 HA3 GLY 17 1HA GLY 17 12.234 14.579 -9.469
126 H LEU 18 H LEU 18 13.823 13.968 -11.258
127 HA LEU 18 HA LEU 18 15.795 14.486 -12.237
128 HB2 LEU 18 2HB LEU 18 13.997 16.458 -13.635
129 HB3 LEU 18 1HB LEU 18 15.666 16.198 -14.093
130 HG LEU 18 HG LEU 18 14.451 14.928 -15.623
131 HD11 LEU 18 1HD1 LEU 18 14.925 12.584 -15.084
132 HD12 LEU 18 2HD1 LEU 18 15.238 13.045 -13.410
133 HD13 LEU 18 3HD1 LEU 18 16.278 13.650 -14.701
134 HD21 LEU 18 3HD2 LEU 18 12.774 13.876 -13.352
135 HD22 LEU 18 1HD2 LEU 18 12.627 13.417 -15.048
136 HD23 LEU 18 2HD2 LEU 18 12.274 15.071 -14.548
137 H GLY 19 H GLY 19 14.953 17.837 -12.676
138 HA2 GLY 19 2HA GLY 19 16.966 18.514 -10.621
139 HA3 GLY 19 1HA GLY 19 16.817 19.367 -12.149
140 H LYS 20 H LYS 20 13.813 18.493 -10.840
141 HA LYS 20 HA LYS 20 13.142 21.249 -10.317
142 HB2 LYS 20 2HB LYS 20 11.517 18.727 -9.922
143 HB3 LYS 20 1HB LYS 20 10.894 20.365 -9.793
144 HG2 LYS 20 2HG LYS 20 11.439 20.738 -12.161
145 HG3 LYS 20 1HG LYS 20 11.992 19.064 -12.277
146 HD2 LYS 20 2HD LYS 20 9.719 18.343 -11.530
147 HD3 LYS 20 1HD LYS 20 9.208 20.029 -11.636
148 HE2 LYS 20 2HE LYS 20 8.581 18.795 -13.644
149 HE3 LYS 20 1HE LYS 20 9.757 20.055 -14.011
150 HZ1 LYS 20 3HZ LYS 20 10.158 17.839 -15.076
151 HZ2 LYS 20 1HZ LYS 20 10.524 17.233 -13.533
152 HZ3 LYS 20 2HZ LYS 20 11.470 18.474 -14.206
153 H LEU 21 H LEU 21 15.154 20.471 -8.602
154 HA LEU 21 HA LEU 21 14.301 19.403 -6.134
155 HB2 LEU 21 2HB LEU 21 16.660 21.201 -6.692
156 HB3 LEU 21 1HB LEU 21 16.446 20.194 -5.273
157 HG LEU 21 HG LEU 21 16.810 19.208 -8.104
158 HD11 LEU 21 1HD1 LEU 21 18.634 19.105 -5.713
159 HD12 LEU 21 2HD1 LEU 21 18.852 20.101 -7.153
160 HD13 LEU 21 3HD1 LEU 21 18.936 18.343 -7.275
161 HD21 LEU 21 3HD2 LEU 21 16.508 17.671 -5.528
162 HD22 LEU 21 1HD2 LEU 21 16.918 16.978 -7.098
163 HD23 LEU 21 2HD2 LEU 21 15.343 17.731 -6.850
164 H GLY 22 H GLY 22 13.940 22.509 -7.517
165 HA2 GLY 22 2HA GLY 22 13.850 24.124 -5.208
166 HA3 GLY 22 1HA GLY 22 13.046 24.472 -6.732
167 H LYS 23 H LYS 23 11.528 21.921 -6.595
168 HA LYS 23 HA LYS 23 9.700 22.643 -4.408
169 HB2 LYS 23 2HB LYS 23 7.847 21.735 -5.830
170 HB3 LYS 23 1HB LYS 23 8.592 23.201 -6.443
171 HG2 LYS 23 2HG LYS 23 8.289 21.898 -8.338
172 HG3 LYS 23 1HG LYS 23 9.984 21.635 -7.934
173 HD2 LYS 23 2HD LYS 23 8.955 19.530 -8.519
174 HD3 LYS 23 1HD LYS 23 9.346 19.530 -6.799
175 HE2 LYS 23 2HE LYS 23 6.929 20.287 -6.436
176 HE3 LYS 23 1HE LYS 23 6.657 19.812 -8.112
177 HZ1 LYS 23 3HZ LYS 23 7.664 17.590 -7.410
178 HZ2 LYS 23 1HZ LYS 23 6.093 17.940 -6.864
179 HZ3 LYS 23 2HZ LYS 23 7.413 18.112 -5.814
180 H ASP 24 H ASP 24 11.304 20.066 -6.133
181 HA ASP 24 HA ASP 24 9.849 17.893 -5.081
182 HB2 ASP 24 2HB ASP 24 11.288 17.721 -7.071
183 HB3 ASP 24 1HB ASP 24 12.713 17.962 -6.062
184 H ALA 25 H ALA 25 12.715 19.587 -3.934
185 HA ALA 25 HA ALA 25 13.305 17.785 -1.828
186 HB1 ALA 25 1HB ALA 25 14.014 20.705 -2.054
187 HB2 ALA 25 2HB ALA 25 14.949 19.371 -2.729
188 HB3 ALA 25 3HB ALA 25 14.767 19.526 -0.981
189 H VAL 26 H VAL 26 11.092 20.427 -2.196
190 HA VAL 26 HA VAL 26 10.714 21.079 0.516
191 HB VAL 26 HB VAL 26 8.700 21.370 -1.717
192 HG11 VAL 26 1HG1 VAL 26 7.808 23.200 -0.371
193 HG12 VAL 26 2HG1 VAL 26 9.005 22.866 0.881
194 HG13 VAL 26 3HG1 VAL 26 7.757 21.674 0.513
195 HG21 VAL 26 3HG2 VAL 26 9.605 23.621 -2.026
196 HG22 VAL 26 1HG2 VAL 26 10.830 22.392 -2.339
197 HG23 VAL 26 2HG2 VAL 26 10.848 23.292 -0.821
198 H GLU 27 H GLU 27 9.045 18.791 -1.638
199 HA GLU 27 HA GLU 27 7.116 17.863 0.143
200 HB2 GLU 27 2HB GLU 27 8.611 16.533 -2.094
201 HB3 GLU 27 1HB GLU 27 7.530 15.593 -1.083
202 HG2 GLU 27 2HG GLU 27 6.258 16.175 -2.940
203 HG3 GLU 27 1HG GLU 27 5.743 17.294 -1.681
204 H ASP 28 H ASP 28 10.376 16.560 -0.416
205 HA ASP 28 HA ASP 28 10.206 14.537 1.515
206 HB2 ASP 28 2HB ASP 28 11.845 14.295 -0.168
207 HB3 ASP 28 1HB ASP 28 12.548 15.873 0.179
208 H LEU 29 H LEU 29 11.535 17.838 1.759
209 HA LEU 29 HA LEU 29 12.729 17.385 4.272
210 HB2 LEU 29 2HB LEU 29 13.020 19.797 4.436
211 HB3 LEU 29 1HB LEU 29 13.508 19.181 2.874
212 HG LEU 29 HG LEU 29 11.133 19.972 2.111
213 HD11 LEU 29 1HD1 LEU 29 10.283 20.518 4.332
214 HD12 LEU 29 2HD1 LEU 29 10.346 21.952 3.309
215 HD13 LEU 29 3HD1 LEU 29 11.576 21.698 4.547
216 HD21 LEU 29 3HD2 LEU 29 13.379 21.887 2.729
217 HD22 LEU 29 1HD2 LEU 29 12.072 22.176 1.583
218 HD23 LEU 29 2HD2 LEU 29 13.230 20.879 1.290
219 H GLU 30 H GLU 30 9.462 18.345 3.415
220 HA GLU 30 HA GLU 30 8.889 18.935 6.204
221 HB2 GLU 30 2HB GLU 30 6.632 19.503 5.465
222 HB3 GLU 30 1HB GLU 30 7.845 20.351 4.525
223 HG2 GLU 30 2HG GLU 30 6.402 19.742 2.881
224 HG3 GLU 30 1HG GLU 30 7.496 18.362 2.854
225 H SER 31 H SER 31 8.683 16.300 4.009
226 HA SER 31 HA SER 31 6.764 14.789 5.492
227 HB2 SER 31 2HB SER 31 8.784 13.934 3.407
228 HB3 SER 31 1HB SER 31 7.543 12.880 4.085
229 HG SER 31 HG SER 31 6.791 15.363 2.998
230 H VAL 32 H VAL 32 10.085 15.481 5.924
231 HA VAL 32 HA VAL 32 10.950 13.268 7.394
232 HB VAL 32 HB VAL 32 11.630 16.179 7.861
233 HG11 VAL 32 1HG1 VAL 32 13.110 13.690 8.710
234 HG12 VAL 32 2HG1 VAL 32 12.216 14.774 9.774
235 HG13 VAL 32 3HG1 VAL 32 13.659 15.352 8.939
236 HG21 VAL 32 3HG2 VAL 32 12.131 15.507 5.590
237 HG22 VAL 32 1HG2 VAL 32 12.993 14.083 6.174
238 HG23 VAL 32 2HG2 VAL 32 13.625 15.694 6.505
239 H GLY 33 H GLY 33 9.054 16.087 8.339
240 HA2 GLY 33 2HA GLY 33 8.914 15.282 11.111
241 HA3 GLY 33 1HA GLY 33 8.086 16.645 10.372
242 H LYS 34 H LYS 34 7.453 14.067 8.430
243 HA LYS 34 HA LYS 34 4.773 13.817 9.473
244 HB2 LYS 34 2HB LYS 34 5.933 13.585 6.948
245 HB3 LYS 34 1HB LYS 34 5.457 11.943 7.356
246 HG2 LYS 34 2HG LYS 34 3.692 13.066 6.131
247 HG3 LYS 34 1HG LYS 34 3.173 12.712 7.780
248 HD2 LYS 34 2HD LYS 34 2.470 14.942 7.173
249 HD3 LYS 34 1HD LYS 34 3.715 15.034 8.418
250 HE2 LYS 34 2HE LYS 34 4.193 16.704 6.795
251 HE3 LYS 34 1HE LYS 34 5.388 15.425 6.604
252 HZ1 LYS 34 3HZ LYS 34 2.980 15.851 4.916
253 HZ2 LYS 34 1HZ LYS 34 4.064 14.558 4.744
254 HZ3 LYS 34 2HZ LYS 34 4.588 16.149 4.465
255 H GLY 35 H GLY 35 7.747 12.225 9.832
256 HA2 GLY 35 2HA GLY 35 6.931 9.588 10.381
257 HA3 GLY 35 1HA GLY 35 8.387 10.357 10.995
258 H ALA 36 H ALA 36 6.720 12.497 12.247
259 HA ALA 36 HA ALA 36 6.433 11.378 14.813
260 HB1 ALA 36 1HB ALA 36 5.267 13.948 13.743
261 HB2 ALA 36 2HB ALA 36 6.878 13.756 14.433
262 HB3 ALA 36 3HB ALA 36 5.453 13.516 15.444
263 H VAL 37 H VAL 37 4.313 11.535 12.112
264 HA VAL 37 HA VAL 37 1.993 10.780 13.731
265 HB VAL 37 HB VAL 37 2.161 11.231 10.742
266 HG11 VAL 37 1HG1 VAL 37 0.331 9.758 11.364
267 HG12 VAL 37 2HG1 VAL 37 -0.289 11.328 10.845
268 HG13 VAL 37 3HG1 VAL 37 -0.226 10.926 12.562
269 HG21 VAL 37 3HG2 VAL 37 2.625 13.286 11.948
270 HG22 VAL 37 1HG2 VAL 37 1.165 13.068 12.915
271 HG23 VAL 37 2HG2 VAL 37 1.039 13.365 11.180
272 H HIS 38 H HIS 38 3.858 9.652 10.944
273 HA HIS 38 HA HIS 38 2.481 7.144 10.816
274 HB2 HIS 38 2HB HIS 38 3.228 8.114 8.763
275 HB3 HIS 38 1HB HIS 38 4.873 8.280 9.359
276 HD1 HIS 38 1HD HIS 38 6.452 6.461 8.789
277 HD2 HIS 38 2HD HIS 38 2.481 5.307 8.293
278 HE1 HIS 38 1HE HIS 38 6.530 4.189 7.707
279 HE2 HIS 38 2HE HIS 38 4.126 3.439 7.569
280 H ASP 39 H ASP 39 5.963 7.795 11.197
281 HA ASP 39 HA ASP 39 6.654 5.137 11.645
282 HB2 ASP 39 2HB ASP 39 8.140 7.680 12.332
283 HB3 ASP 39 1HB ASP 39 8.856 6.071 12.375
284 H VAL 40 H VAL 40 5.994 7.703 13.969
285 HA VAL 40 HA VAL 40 6.917 6.556 16.297
286 HB VAL 40 HB VAL 40 4.458 8.271 15.917
287 HG11 VAL 40 1HG1 VAL 40 5.951 7.610 18.456
288 HG12 VAL 40 2HG1 VAL 40 4.313 7.096 18.049
289 HG13 VAL 40 3HG1 VAL 40 4.663 8.806 18.305
290 HG21 VAL 40 3HG2 VAL 40 5.920 10.087 16.610
291 HG22 VAL 40 1HG2 VAL 40 6.568 9.276 15.184
292 HG23 VAL 40 2HG2 VAL 40 7.268 8.958 16.773
293 H LYS 41 H LYS 41 3.751 6.028 14.759
294 HA LYS 41 HA LYS 41 3.122 4.036 16.795
295 HB2 LYS 41 2HB LYS 41 1.502 5.227 14.555
296 HB3 LYS 41 1HB LYS 41 0.935 3.866 15.509
297 HG2 LYS 41 2HG LYS 41 1.329 5.362 17.544
298 HG3 LYS 41 1HG LYS 41 1.438 6.687 16.381
299 HD2 LYS 41 2HD LYS 41 -0.777 6.209 15.559
300 HD3 LYS 41 1HD LYS 41 -0.891 4.781 16.587
301 HE2 LYS 41 2HE LYS 41 -0.585 6.332 18.557
302 HE3 LYS 41 1HE LYS 41 -0.801 7.666 17.426
303 HZ1 LYS 41 3HZ LYS 41 -2.857 7.048 18.579
304 HZ2 LYS 41 1HZ LYS 41 -2.782 5.500 17.884
305 HZ3 LYS 41 2HZ LYS 41 -2.992 6.867 16.900
306 H ASP 42 H ASP 42 4.057 4.238 13.442
307 HA ASP 42 HA ASP 42 3.133 1.798 12.490
308 HB2 ASP 42 2HB ASP 42 4.039 3.471 10.988
309 HB3 ASP 42 1HB ASP 42 5.639 3.295 11.707
310 H VAL 43 H VAL 43 6.051 2.484 14.346
311 HA VAL 43 HA VAL 43 7.353 0.044 13.934
312 HB VAL 43 HB VAL 43 8.495 1.939 14.934
313 HG11 VAL 43 1HG1 VAL 43 6.727 1.478 17.330
314 HG12 VAL 43 2HG1 VAL 43 6.712 2.882 16.264
315 HG13 VAL 43 3HG1 VAL 43 8.115 2.563 17.281
316 HG21 VAL 43 3HG2 VAL 43 9.400 -0.280 15.343
317 HG22 VAL 43 1HG2 VAL 43 8.405 -0.438 16.789
318 HG23 VAL 43 2HG2 VAL 43 9.689 0.769 16.729
319 H LEU 44 H LEU 44 4.790 0.907 16.203
320 HA LEU 44 HA LEU 44 4.979 -1.755 17.406
321 HB2 LEU 44 2HB LEU 44 3.418 -0.843 19.127
322 HB3 LEU 44 1HB LEU 44 4.976 -0.046 19.052
323 HG LEU 44 HG LEU 44 3.669 1.663 17.521
324 HD11 LEU 44 1HD1 LEU 44 1.362 1.978 18.264
325 HD12 LEU 44 2HD1 LEU 44 1.467 0.493 19.213
326 HD13 LEU 44 3HD1 LEU 44 1.582 0.427 17.453
327 HD21 LEU 44 3HD2 LEU 44 3.216 3.014 19.506
328 HD22 LEU 44 1HD2 LEU 44 4.781 2.209 19.616
329 HD23 LEU 44 2HD2 LEU 44 3.403 1.586 20.523
330 H ASP 45 H ASP 45 3.034 0.124 15.292
331 HA ASP 45 HA ASP 45 0.677 -1.520 15.551
332 HB2 ASP 45 2HB ASP 45 0.589 0.886 14.887
333 HB3 ASP 45 1HB ASP 45 1.411 0.469 13.387
334 H SER 46 H SER 46 3.258 -1.065 13.174
335 HA SER 46 HA SER 46 2.482 -3.544 11.819
336 HB2 SER 46 2HB SER 46 4.673 -1.644 10.980
337 HB3 SER 46 1HB SER 46 3.771 -2.782 9.980
338 HG SER 46 HG SER 46 3.259 -0.299 10.144
339 H VAL 47 H VAL 47 3.385 -4.103 14.257
340 HA VAL 47 HA VAL 47 6.257 -4.355 14.342
341 HB VAL 47 HB VAL 47 5.014 -3.853 16.390
342 HG11 VAL 47 1HG1 VAL 47 2.958 -5.072 15.931
343 HG12 VAL 47 2HG1 VAL 47 3.633 -5.547 17.489
344 HG13 VAL 47 3HG1 VAL 47 3.815 -6.604 16.090
345 HG21 VAL 47 3HG2 VAL 47 6.057 -5.506 17.865
346 HG22 VAL 47 1HG2 VAL 47 7.156 -4.974 16.593
347 HG23 VAL 47 2HG2 VAL 47 6.365 -6.545 16.474
348 H LEU 48 H LEU 48 7.460 -6.162 14.014
349 HA LEU 48 HA LEU 48 6.123 -8.411 12.773
350 HB2 LEU 48 2HB LEU 48 8.454 -9.218 12.334
351 HB3 LEU 48 1HB LEU 48 8.036 -7.688 11.595
352 HG LEU 48 HG LEU 48 9.211 -6.777 13.841
353 HD11 LEU 48 1HD1 LEU 48 10.620 -9.369 13.211
354 HD12 LEU 48 2HD1 LEU 48 9.748 -8.990 14.699
355 HD13 LEU 48 3HD1 LEU 48 11.220 -8.108 14.286
356 HD21 LEU 48 3HD2 LEU 48 11.227 -6.458 12.477
357 HD22 LEU 48 1HD2 LEU 48 9.755 -6.113 11.567
358 HD23 LEU 48 2HD2 LEU 48 10.614 -7.631 11.312
Start of MODEL 7
1 H1 SER 1 1HT SER 1 10.781 3.448 29.526
2 H2 SER 1 2HT SER 1 11.956 2.496 28.772
3 H3 SER 1 3HT SER 1 10.594 3.007 27.900
4 HA SER 1 HA SER 1 11.293 5.309 28.138
5 HB2 SER 1 2HB SER 1 13.829 4.101 29.277
6 HB3 SER 1 1HB SER 1 13.501 5.814 29.019
7 HG SER 1 HG SER 1 13.192 4.868 31.229
8 H SER 2 H SER 2 11.195 5.287 25.942
9 HA SER 2 HA SER 2 13.196 3.761 24.463
10 HB2 SER 2 2HB SER 2 11.727 4.481 22.485
11 HB3 SER 2 1HB SER 2 11.027 3.348 23.642
12 HG SER 2 HG SER 2 9.500 4.757 23.894
13 H LEU 3 H LEU 3 15.040 4.770 24.031
14 HA LEU 3 HA LEU 3 15.076 7.633 23.516
15 HB2 LEU 3 2HB LEU 3 17.317 5.606 23.579
16 HB3 LEU 3 1HB LEU 3 17.533 7.327 23.320
17 HG LEU 3 HG LEU 3 16.438 6.067 25.838
18 HD11 LEU 3 1HD1 LEU 3 19.111 7.341 25.272
19 HD12 LEU 3 2HD1 LEU 3 18.817 5.623 25.538
20 HD13 LEU 3 3HD1 LEU 3 18.548 6.776 26.843
21 HD21 LEU 3 3HD2 LEU 3 17.118 8.934 25.187
22 HD22 LEU 3 1HD2 LEU 3 16.645 8.326 26.773
23 HD23 LEU 3 2HD2 LEU 3 15.499 8.279 25.433
24 H LEU 4 H LEU 4 13.765 7.478 21.612
25 HA LEU 4 HA LEU 4 14.779 5.928 19.375
26 HB2 LEU 4 2HB LEU 4 12.372 5.960 19.890
27 HB3 LEU 4 1HB LEU 4 12.338 7.689 19.603
28 HG LEU 4 HG LEU 4 12.950 7.292 17.242
29 HD11 LEU 4 1HD1 LEU 4 12.813 5.010 16.344
30 HD12 LEU 4 2HD1 LEU 4 12.680 4.385 17.989
31 HD13 LEU 4 3HD1 LEU 4 14.154 5.205 17.473
32 HD21 LEU 4 3HD2 LEU 4 10.519 5.789 18.189
33 HD22 LEU 4 1HD2 LEU 4 10.799 6.367 16.547
34 HD23 LEU 4 2HD2 LEU 4 10.615 7.521 17.868
35 H GLU 5 H GLU 5 14.085 9.332 20.132
36 HA GLU 5 HA GLU 5 15.225 10.127 17.581
37 HB2 GLU 5 2HB GLU 5 14.502 12.443 18.322
38 HB3 GLU 5 1HB GLU 5 13.229 11.270 18.044
39 HG2 GLU 5 2HG GLU 5 12.575 12.358 19.978
40 HG3 GLU 5 1HG GLU 5 13.308 10.872 20.575
41 H LYS 6 H LYS 6 16.625 9.214 20.233
42 HA LYS 6 HA LYS 6 18.780 11.207 20.007
43 HB2 LYS 6 2HB LYS 6 18.056 9.308 22.235
44 HB3 LYS 6 1HB LYS 6 19.633 10.084 22.146
45 HG2 LYS 6 2HG LYS 6 17.008 11.557 22.232
46 HG3 LYS 6 1HG LYS 6 18.038 11.246 23.634
47 HD2 LYS 6 2HD LYS 6 19.812 12.562 22.708
48 HD3 LYS 6 1HD LYS 6 18.966 12.712 21.167
49 HE2 LYS 6 2HE LYS 6 17.938 13.798 23.784
50 HE3 LYS 6 1HE LYS 6 18.845 14.744 22.603
51 HZ1 LYS 6 3HZ LYS 6 17.116 14.366 20.985
52 HZ2 LYS 6 1HZ LYS 6 16.443 15.035 22.385
53 HZ3 LYS 6 2HZ LYS 6 16.252 13.384 22.066
54 H GLY 7 H GLY 7 17.792 8.108 19.170
55 HA2 GLY 7 2HA GLY 7 18.945 6.612 17.790
56 HA3 GLY 7 1HA GLY 7 20.443 7.445 18.180
57 H LEU 8 H LEU 8 18.064 5.139 19.332
58 HA LEU 8 HA LEU 8 19.260 4.256 21.668
59 HB2 LEU 8 2HB LEU 8 17.038 3.562 20.512
60 HB3 LEU 8 1HB LEU 8 18.014 2.384 19.661
61 HG LEU 8 HG LEU 8 16.760 1.534 21.680
62 HD11 LEU 8 1HD1 LEU 8 18.628 0.174 22.512
63 HD12 LEU 8 2HD1 LEU 8 19.756 1.227 21.660
64 HD13 LEU 8 3HD1 LEU 8 18.592 0.265 20.753
65 HD21 LEU 8 3HD2 LEU 8 17.751 1.977 23.879
66 HD22 LEU 8 1HD2 LEU 8 17.084 3.436 23.144
67 HD23 LEU 8 2HD2 LEU 8 18.827 3.167 23.144
68 H ASP 9 H ASP 9 21.008 2.961 22.116
69 HA ASP 9 HA ASP 9 23.195 3.206 20.455
70 HB2 ASP 9 2HB ASP 9 24.421 1.940 22.021
71 HB3 ASP 9 1HB ASP 9 23.150 2.722 22.954
72 H GLY 10 H GLY 10 20.999 0.450 20.708
73 HA2 GLY 10 2HA GLY 10 22.486 -1.376 19.166
74 HA3 GLY 10 1HA GLY 10 20.743 -1.411 19.386
75 H ALA 11 H ALA 11 20.143 1.084 18.234
76 HA ALA 11 HA ALA 11 20.438 0.367 15.417
77 HB1 ALA 11 1HB ALA 11 18.602 1.956 15.036
78 HB2 ALA 11 2HB ALA 11 18.609 2.364 16.752
79 HB3 ALA 11 3HB ALA 11 18.178 0.735 16.234
80 H LYS 12 H LYS 12 21.983 2.264 17.605
81 HA LYS 12 HA LYS 12 22.439 4.685 16.226
82 HB2 LYS 12 2HB LYS 12 22.939 4.075 18.674
83 HB3 LYS 12 1HB LYS 12 24.407 3.328 18.066
84 HG2 LYS 12 2HG LYS 12 24.927 5.517 18.874
85 HG3 LYS 12 1HG LYS 12 25.071 5.522 17.113
86 HD2 LYS 12 2HD LYS 12 22.989 6.645 16.865
87 HD3 LYS 12 1HD LYS 12 22.584 6.408 18.566
88 HE2 LYS 12 2HE LYS 12 24.416 7.879 19.216
89 HE3 LYS 12 1HE LYS 12 24.859 8.095 17.524
90 HZ1 LYS 12 3HZ LYS 12 23.554 9.954 18.360
91 HZ2 LYS 12 1HZ LYS 12 22.271 8.910 18.743
92 HZ3 LYS 12 2HZ LYS 12 22.729 9.141 17.123
93 H LYS 13 H LYS 13 23.931 1.534 16.166
94 HA LYS 13 HA LYS 13 26.151 2.221 14.536
95 HB2 LYS 13 2HB LYS 13 25.924 0.182 16.016
96 HB3 LYS 13 1HB LYS 13 24.853 -0.491 14.799
97 HG2 LYS 13 2HG LYS 13 26.898 -1.461 14.319
98 HG3 LYS 13 1HG LYS 13 26.800 -0.128 13.171
99 HD2 LYS 13 2HD LYS 13 28.223 0.075 15.819
100 HD3 LYS 13 1HD LYS 13 29.021 -0.419 14.327
101 HE2 LYS 13 2HE LYS 13 28.381 1.716 13.299
102 HE3 LYS 13 1HE LYS 13 27.625 2.207 14.815
103 HZ1 LYS 13 3HZ LYS 13 29.751 2.118 15.902
104 HZ2 LYS 13 1HZ LYS 13 29.871 3.108 14.529
105 HZ3 LYS 13 2HZ LYS 13 30.498 1.533 14.496
106 H ALA 14 H ALA 14 22.831 1.464 13.920
107 HA ALA 14 HA ALA 14 23.126 0.814 11.150
108 HB1 ALA 14 1HB ALA 14 21.195 0.042 12.430
109 HB2 ALA 14 2HB ALA 14 20.692 1.014 11.047
110 HB3 ALA 14 3HB ALA 14 20.676 1.710 12.666
111 H VAL 15 H VAL 15 23.337 3.647 12.910
112 HA VAL 15 HA VAL 15 22.837 5.336 10.562
113 HB VAL 15 HB VAL 15 23.553 6.199 13.376
114 HG11 VAL 15 1HG1 VAL 15 22.540 7.759 11.002
115 HG12 VAL 15 2HG1 VAL 15 24.150 7.850 11.715
116 HG13 VAL 15 3HG1 VAL 15 22.749 8.407 12.628
117 HG21 VAL 15 3HG2 VAL 15 21.186 6.832 13.609
118 HG22 VAL 15 1HG2 VAL 15 21.396 5.094 13.403
119 HG23 VAL 15 2HG2 VAL 15 20.847 6.082 12.051
120 H GLY 16 H GLY 16 25.264 4.934 13.134
121 HA2 GLY 16 2HA GLY 16 27.547 4.799 13.046
122 HA3 GLY 16 1HA GLY 16 27.406 4.527 11.318
123 H GLY 17 H GLY 17 25.843 7.371 12.101
124 HA2 GLY 17 2HA GLY 17 26.350 9.587 11.828
125 HA3 GLY 17 1HA GLY 17 28.017 9.186 12.228
126 H LEU 18 H LEU 18 29.488 8.945 10.654
127 HA LEU 18 HA LEU 18 28.704 9.769 7.988
128 HB2 LEU 18 2HB LEU 18 30.992 10.103 7.549
129 HB3 LEU 18 1HB LEU 18 30.733 10.644 9.194
130 HG LEU 18 HG LEU 18 31.863 7.925 8.535
131 HD11 LEU 18 1HD1 LEU 18 33.329 10.491 9.124
132 HD12 LEU 18 2HD1 LEU 18 33.327 9.614 7.596
133 HD13 LEU 18 3HD1 LEU 18 34.064 8.891 9.024
134 HD21 LEU 18 3HD2 LEU 18 31.938 9.591 11.050
135 HD22 LEU 18 1HD2 LEU 18 32.676 8.000 10.833
136 HD23 LEU 18 2HD2 LEU 18 30.920 8.175 10.780
137 H GLY 19 H GLY 19 29.010 6.889 9.652
138 HA2 GLY 19 2HA GLY 19 30.181 5.132 7.812
139 HA3 GLY 19 1HA GLY 19 28.980 4.686 9.016
140 H LYS 20 H LYS 20 26.703 5.788 8.296
141 HA LYS 20 HA LYS 20 26.099 4.596 5.728
142 HB2 LYS 20 2HB LYS 20 24.347 5.968 7.773
143 HB3 LYS 20 1HB LYS 20 23.746 5.286 6.268
144 HG2 LYS 20 2HG LYS 20 25.266 3.606 8.228
145 HG3 LYS 20 1HG LYS 20 23.543 3.911 8.430
146 HD2 LYS 20 2HD LYS 20 23.754 1.839 7.288
147 HD3 LYS 20 1HD LYS 20 23.216 3.023 6.099
148 HE2 LYS 20 2HE LYS 20 25.520 3.245 5.294
149 HE3 LYS 20 1HE LYS 20 26.049 2.058 6.485
150 HZ1 LYS 20 3HZ LYS 20 25.753 1.037 4.333
151 HZ2 LYS 20 1HZ LYS 20 24.143 1.565 4.258
152 HZ3 LYS 20 2HZ LYS 20 24.611 0.418 5.422
153 H LEU 21 H LEU 21 26.538 7.710 7.143
154 HA LEU 21 HA LEU 21 26.509 9.828 6.479
155 HB2 LEU 21 2HB LEU 21 27.433 10.382 4.280
156 HB3 LEU 21 1HB LEU 21 28.382 9.206 5.156
157 HG LEU 21 HG LEU 21 26.864 7.578 3.585
158 HD11 LEU 21 1HD1 LEU 21 25.849 9.410 2.375
159 HD12 LEU 21 2HD1 LEU 21 26.934 8.504 1.319
160 HD13 LEU 21 3HD1 LEU 21 27.442 10.058 1.979
161 HD21 LEU 21 3HD2 LEU 21 29.260 7.412 3.935
162 HD22 LEU 21 1HD2 LEU 21 29.525 8.835 2.926
163 HD23 LEU 21 2HD2 LEU 21 28.883 7.356 2.213
164 H GLY 22 H GLY 22 24.875 8.131 3.778
165 HA2 GLY 22 2HA GLY 22 23.078 10.372 3.432
166 HA3 GLY 22 1HA GLY 22 23.056 8.863 2.531
167 H LYS 23 H LYS 23 22.885 9.382 6.014
168 HA LYS 23 HA LYS 23 20.113 8.379 6.021
169 HB2 LYS 23 2HB LYS 23 21.949 6.697 6.745
170 HB3 LYS 23 1HB LYS 23 22.108 7.701 8.178
171 HG2 LYS 23 2HG LYS 23 19.487 7.342 8.269
172 HG3 LYS 23 1HG LYS 23 19.911 5.889 7.360
173 HD2 LYS 23 2HD LYS 23 21.573 5.346 9.136
174 HD3 LYS 23 1HD LYS 23 20.968 6.725 10.055
175 HE2 LYS 23 2HE LYS 23 19.831 4.896 10.951
176 HE3 LYS 23 1HE LYS 23 18.670 5.630 9.847
177 HZ1 LYS 23 3HZ LYS 23 18.716 3.229 9.623
178 HZ2 LYS 23 1HZ LYS 23 20.367 3.271 9.250
179 HZ3 LYS 23 2HZ LYS 23 19.245 3.968 8.192
180 H ASP 24 H ASP 24 21.863 10.938 6.363
181 HA ASP 24 HA ASP 24 21.734 11.838 9.009
182 HB2 ASP 24 2HB ASP 24 23.218 12.799 7.315
183 HB3 ASP 24 1HB ASP 24 21.829 13.425 6.433
184 H ALA 25 H ALA 25 19.364 11.845 6.488
185 HA ALA 25 HA ALA 25 17.742 13.969 7.397
186 HB1 ALA 25 1HB ALA 25 17.642 13.117 5.110
187 HB2 ALA 25 2HB ALA 25 16.053 13.099 5.874
188 HB3 ALA 25 3HB ALA 25 16.966 11.599 5.701
189 H VAL 26 H VAL 26 18.201 10.848 8.662
190 HA VAL 26 HA VAL 26 15.623 10.407 9.761
191 HB VAL 26 HB VAL 26 18.317 9.401 10.698
192 HG11 VAL 26 1HG1 VAL 26 16.675 9.340 12.508
193 HG12 VAL 26 2HG1 VAL 26 17.070 7.715 11.947
194 HG13 VAL 26 3HG1 VAL 26 15.553 8.473 11.459
195 HG21 VAL 26 3HG2 VAL 26 17.649 7.319 9.586
196 HG22 VAL 26 1HG2 VAL 26 17.739 8.665 8.447
197 HG23 VAL 26 2HG2 VAL 26 16.171 8.100 9.025
198 H GLU 27 H GLU 27 18.583 11.906 11.044
199 HA GLU 27 HA GLU 27 17.256 12.694 13.482
200 HB2 GLU 27 2HB GLU 27 20.019 13.198 12.394
201 HB3 GLU 27 1HB GLU 27 19.442 13.943 13.880
202 HG2 GLU 27 2HG GLU 27 19.007 11.700 14.800
203 HG3 GLU 27 1HG GLU 27 19.693 10.996 13.335
204 H ASP 28 H ASP 28 15.757 13.600 11.638
205 HA ASP 28 HA ASP 28 15.762 16.440 12.085
206 HB2 ASP 28 2HB ASP 28 17.020 16.498 10.045
207 HB3 ASP 28 1HB ASP 28 15.977 15.297 9.290
208 H LEU 29 H LEU 29 14.385 13.632 10.511
209 HA LEU 29 HA LEU 29 11.744 14.572 10.240
210 HB2 LEU 29 2HB LEU 29 12.734 12.613 9.047
211 HB3 LEU 29 1HB LEU 29 12.674 11.713 10.549
212 HG LEU 29 HG LEU 29 10.209 11.968 10.567
213 HD11 LEU 29 1HD1 LEU 29 10.043 14.001 9.227
214 HD12 LEU 29 2HD1 LEU 29 9.078 12.700 8.531
215 HD13 LEU 29 3HD1 LEU 29 10.631 13.128 7.815
216 HD21 LEU 29 3HD2 LEU 29 9.789 10.343 8.799
217 HD22 LEU 29 1HD2 LEU 29 11.267 9.960 9.681
218 HD23 LEU 29 2HD2 LEU 29 11.362 10.707 8.085
219 H GLU 30 H GLU 30 13.440 12.974 12.882
220 HA GLU 30 HA GLU 30 11.020 12.710 14.435
221 HB2 GLU 30 2HB GLU 30 12.813 12.137 16.277
222 HB3 GLU 30 1HB GLU 30 12.394 10.982 15.026
223 HG2 GLU 30 2HG GLU 30 14.765 10.987 15.340
224 HG3 GLU 30 1HG GLU 30 14.395 11.671 13.761
225 H SER 31 H SER 31 13.708 14.916 14.186
226 HA SER 31 HA SER 31 13.235 16.389 16.537
227 HB2 SER 31 2HB SER 31 14.452 17.293 13.914
228 HB3 SER 31 1HB SER 31 14.587 18.147 15.451
229 HG SER 31 HG SER 31 15.477 15.470 15.028
230 H VAL 32 H VAL 32 12.112 16.888 13.187
231 HA VAL 32 HA VAL 32 10.530 19.166 13.881
232 HB VAL 32 HB VAL 32 11.443 18.732 11.591
233 HG11 VAL 32 1HG1 VAL 32 10.863 16.332 11.490
234 HG12 VAL 32 2HG1 VAL 32 10.338 17.246 10.077
235 HG13 VAL 32 3HG1 VAL 32 9.169 16.785 11.310
236 HG21 VAL 32 3HG2 VAL 32 8.472 19.186 11.779
237 HG22 VAL 32 1HG2 VAL 32 9.484 19.586 10.390
238 HG23 VAL 32 2HG2 VAL 32 9.736 20.407 11.929
239 H GLY 33 H GLY 33 10.127 15.824 14.250
240 HA2 GLY 33 2HA GLY 33 8.503 14.894 15.660
241 HA3 GLY 33 1HA GLY 33 7.513 16.323 15.427
242 H LYS 34 H LYS 34 8.244 15.724 12.414
243 HA LYS 34 HA LYS 34 5.678 14.846 11.725
244 HB2 LYS 34 2HB LYS 34 7.663 16.037 10.374
245 HB3 LYS 34 1HB LYS 34 7.895 14.395 9.798
246 HG2 LYS 34 2HG LYS 34 5.259 15.834 9.663
247 HG3 LYS 34 1HG LYS 34 6.453 15.861 8.367
248 HD2 LYS 34 2HD LYS 34 6.282 13.474 8.095
249 HD3 LYS 34 1HD LYS 34 5.220 13.351 9.500
250 HE2 LYS 34 2HE LYS 34 3.997 13.250 7.354
251 HE3 LYS 34 1HE LYS 34 3.501 14.609 8.363
252 HZ1 LYS 34 3HZ LYS 34 3.748 15.297 6.080
253 HZ2 LYS 34 1HZ LYS 34 5.348 14.738 6.037
254 HZ3 LYS 34 2HZ LYS 34 4.931 16.050 7.028
255 H GLY 35 H GLY 35 8.731 13.095 12.026
256 HA2 GLY 35 2HA GLY 35 7.826 10.627 10.991
257 HA3 GLY 35 1HA GLY 35 9.195 10.847 12.068
258 H ALA 36 H ALA 36 7.582 12.067 14.177
259 HA ALA 36 HA ALA 36 6.845 9.622 15.484
260 HB1 ALA 36 1HB ALA 36 6.416 11.020 17.426
261 HB2 ALA 36 2HB ALA 36 6.549 12.469 16.431
262 HB3 ALA 36 3HB ALA 36 7.961 11.446 16.688
263 H VAL 37 H VAL 37 5.195 12.123 13.767
264 HA VAL 37 HA VAL 37 2.613 11.742 14.888
265 HB VAL 37 HB VAL 37 3.393 12.875 12.191
266 HG11 VAL 37 1HG1 VAL 37 1.065 12.146 12.210
267 HG12 VAL 37 2HG1 VAL 37 1.178 13.906 12.174
268 HG13 VAL 37 3HG1 VAL 37 0.773 13.079 13.679
269 HG21 VAL 37 3HG2 VAL 37 4.350 14.120 14.060
270 HG22 VAL 37 1HG2 VAL 37 2.754 14.258 14.800
271 HG23 VAL 37 2HG2 VAL 37 3.087 15.057 13.262
272 H HIS 38 H HIS 38 4.287 10.343 12.083
273 HA HIS 38 HA HIS 38 1.935 8.605 11.691
274 HB2 HIS 38 2HB HIS 38 2.478 10.346 9.886
275 HB3 HIS 38 1HB HIS 38 3.864 9.330 9.498
276 HD1 HIS 38 1HD HIS 38 2.867 6.563 9.273
277 HD2 HIS 38 2HD HIS 38 0.488 9.806 8.184
278 HE1 HIS 38 1HE HIS 38 1.148 5.653 7.687
279 HE2 HIS 38 2HE HIS 38 -0.114 7.663 6.863
280 H ASP 39 H ASP 39 5.396 8.661 10.778
281 HA ASP 39 HA ASP 39 5.558 5.979 10.104
282 HB2 ASP 39 2HB ASP 39 7.231 7.740 9.516
283 HB3 ASP 39 1HB ASP 39 7.848 7.640 11.163
284 H VAL 40 H VAL 40 6.412 7.484 13.207
285 HA VAL 40 HA VAL 40 7.328 5.130 14.452
286 HB VAL 40 HB VAL 40 6.136 7.608 15.715
287 HG11 VAL 40 1HG1 VAL 40 7.765 5.396 16.965
288 HG12 VAL 40 2HG1 VAL 40 6.067 5.747 17.279
289 HG13 VAL 40 3HG1 VAL 40 7.309 6.902 17.759
290 HG21 VAL 40 3HG2 VAL 40 8.102 8.077 14.365
291 HG22 VAL 40 1HG2 VAL 40 9.001 6.812 15.202
292 HG23 VAL 40 2HG2 VAL 40 8.478 8.248 16.079
293 H LYS 41 H LYS 41 4.114 6.489 14.091
294 HA LYS 41 HA LYS 41 2.888 4.665 15.934
295 HB2 LYS 41 2HB LYS 41 2.011 6.892 14.240
296 HB3 LYS 41 1HB LYS 41 0.832 5.591 14.367
297 HG2 LYS 41 2HG LYS 41 0.504 7.349 16.059
298 HG3 LYS 41 1HG LYS 41 0.822 5.767 16.770
299 HD2 LYS 41 2HD LYS 41 3.217 6.451 17.009
300 HD3 LYS 41 1HD LYS 41 2.747 8.070 16.492
301 HE2 LYS 41 2HE LYS 41 1.624 6.620 18.885
302 HE3 LYS 41 1HE LYS 41 2.892 7.842 18.947
303 HZ1 LYS 41 3HZ LYS 41 0.140 8.300 17.917
304 HZ2 LYS 41 1HZ LYS 41 1.361 9.468 18.084
305 HZ3 LYS 41 2HZ LYS 41 0.685 8.736 19.460
306 H ASP 42 H ASP 42 3.947 4.450 12.710
307 HA ASP 42 HA ASP 42 2.167 2.292 11.980
308 HB2 ASP 42 2HB ASP 42 4.737 3.246 10.701
309 HB3 ASP 42 1HB ASP 42 3.683 2.005 10.035
310 H VAL 43 H VAL 43 5.242 2.720 13.500
311 HA VAL 43 HA VAL 43 6.221 0.069 13.217
312 HB VAL 43 HB VAL 43 6.884 2.085 15.377
313 HG11 VAL 43 1HG1 VAL 43 9.000 0.857 15.567
314 HG12 VAL 43 2HG1 VAL 43 8.408 -0.328 14.402
315 HG13 VAL 43 3HG1 VAL 43 7.612 -0.157 15.967
316 HG21 VAL 43 3HG2 VAL 43 7.248 3.001 13.141
317 HG22 VAL 43 1HG2 VAL 43 8.223 1.594 12.720
318 HG23 VAL 43 2HG2 VAL 43 8.779 2.711 13.964
319 H LEU 44 H LEU 44 3.884 1.534 15.283
320 HA LEU 44 HA LEU 44 3.919 -0.129 17.515
321 HB2 LEU 44 2HB LEU 44 1.546 1.143 16.146
322 HB3 LEU 44 1HB LEU 44 1.524 0.454 17.757
323 HG LEU 44 HG LEU 44 3.147 2.852 16.891
324 HD11 LEU 44 1HD1 LEU 44 0.715 2.641 18.660
325 HD12 LEU 44 2HD1 LEU 44 0.763 3.326 17.034
326 HD13 LEU 44 3HD1 LEU 44 1.643 4.109 18.347
327 HD21 LEU 44 3HD2 LEU 44 2.827 1.594 19.615
328 HD22 LEU 44 1HD2 LEU 44 3.704 3.083 19.255
329 HD23 LEU 44 2HD2 LEU 44 4.282 1.543 18.617
330 H ASP 45 H ASP 45 2.756 -0.709 14.293
331 HA ASP 45 HA ASP 45 1.089 -2.929 14.809
332 HB2 ASP 45 2HB ASP 45 1.009 -1.720 12.697
333 HB3 ASP 45 1HB ASP 45 2.668 -2.181 12.338
334 H SER 46 H SER 46 4.531 -2.587 14.679
335 HA SER 46 HA SER 46 4.873 -5.500 14.539
336 HB2 SER 46 2HB SER 46 6.163 -4.230 12.893
337 HB3 SER 46 1HB SER 46 6.897 -3.279 14.182
338 HG SER 46 HG SER 46 7.423 -5.877 13.356
339 H VAL 47 H VAL 47 5.707 -2.661 16.485
340 HA VAL 47 HA VAL 47 7.339 -4.167 18.290
341 HB VAL 47 HB VAL 47 7.763 -1.778 17.845
342 HG11 VAL 47 1HG1 VAL 47 5.221 -1.318 19.396
343 HG12 VAL 47 2HG1 VAL 47 5.482 -0.970 17.688
344 HG13 VAL 47 3HG1 VAL 47 6.366 -0.065 18.916
345 HG21 VAL 47 3HG2 VAL 47 7.153 -2.411 20.727
346 HG22 VAL 47 1HG2 VAL 47 8.206 -1.114 20.163
347 HG23 VAL 47 2HG2 VAL 47 8.644 -2.797 19.871
348 H LEU 48 H LEU 48 6.894 -4.908 20.311
349 HA LEU 48 HA LEU 48 4.185 -4.507 21.339
350 HB2 LEU 48 2HB LEU 48 4.149 -6.829 22.170
351 HB3 LEU 48 1HB LEU 48 4.161 -6.730 20.424
352 HG LEU 48 HG LEU 48 6.703 -7.228 21.953
353 HD11 LEU 48 1HD1 LEU 48 5.083 -8.907 22.694
354 HD12 LEU 48 2HD1 LEU 48 6.330 -9.621 21.672
355 HD13 LEU 48 3HD1 LEU 48 4.726 -9.302 21.012
356 HD21 LEU 48 3HD2 LEU 48 7.371 -8.301 19.870
357 HD22 LEU 48 1HD2 LEU 48 6.875 -6.635 19.583
358 HD23 LEU 48 2HD2 LEU 48 5.788 -7.961 19.174
Start of MODEL 8
1 H1 SER 1 1HT SER 1 3.962 26.440 8.618
2 H2 SER 1 2HT SER 1 2.996 25.118 8.168
3 H3 SER 1 3HT SER 1 2.888 25.754 9.731
4 HA SER 1 HA SER 1 2.146 27.167 7.255
5 HB2 SER 1 2HB SER 1 -0.178 26.963 8.267
6 HB3 SER 1 1HB SER 1 0.522 25.465 7.651
7 HG SER 1 HG SER 1 -0.512 25.657 9.921
8 H SER 2 H SER 2 0.979 29.174 7.707
9 HA SER 2 HA SER 2 2.272 30.658 9.807
10 HB2 SER 2 2HB SER 2 0.692 32.491 8.749
11 HB3 SER 2 1HB SER 2 2.130 31.936 7.889
12 HG SER 2 HG SER 2 -0.532 31.627 7.266
13 H LEU 3 H LEU 3 1.520 30.240 11.777
14 HA LEU 3 HA LEU 3 -1.354 29.984 12.237
15 HB2 LEU 3 2HB LEU 3 0.969 29.685 14.148
16 HB3 LEU 3 1HB LEU 3 -0.704 29.290 14.493
17 HG LEU 3 HG LEU 3 0.939 27.908 12.373
18 HD11 LEU 3 1HD1 LEU 3 1.109 26.049 13.939
19 HD12 LEU 3 2HD1 LEU 3 0.303 27.009 15.179
20 HD13 LEU 3 3HD1 LEU 3 1.891 27.494 14.585
21 HD21 LEU 3 3HD2 LEU 3 -0.846 26.256 12.436
22 HD22 LEU 3 1HD2 LEU 3 -1.476 27.848 12.020
23 HD23 LEU 3 2HD2 LEU 3 -1.699 27.211 13.650
24 H LEU 4 H LEU 4 1.409 31.948 13.175
25 HA LEU 4 HA LEU 4 -0.461 34.054 14.050
26 HB2 LEU 4 2HB LEU 4 2.325 33.515 15.107
27 HB3 LEU 4 1HB LEU 4 1.315 34.870 15.566
28 HG LEU 4 HG LEU 4 -0.350 33.057 16.394
29 HD11 LEU 4 1HD1 LEU 4 2.208 31.468 16.329
30 HD12 LEU 4 2HD1 LEU 4 0.749 31.132 15.397
31 HD13 LEU 4 3HD1 LEU 4 0.723 30.994 17.155
32 HD21 LEU 4 3HD2 LEU 4 2.263 33.580 17.800
33 HD22 LEU 4 1HD2 LEU 4 0.789 32.985 18.563
34 HD23 LEU 4 2HD2 LEU 4 0.823 34.599 17.853
35 H GLU 5 H GLU 5 0.457 36.280 13.760
36 HA GLU 5 HA GLU 5 1.463 36.658 11.160
37 HB2 GLU 5 2HB GLU 5 1.608 38.634 13.447
38 HB3 GLU 5 1HB GLU 5 1.715 39.009 11.734
39 HG2 GLU 5 2HG GLU 5 -0.450 39.579 12.177
40 HG3 GLU 5 1HG GLU 5 -0.646 37.912 11.637
41 H LYS 6 H LYS 6 3.006 36.169 14.207
42 HA LYS 6 HA LYS 6 5.616 36.968 13.697
43 HB2 LYS 6 2HB LYS 6 4.900 36.183 15.883
44 HB3 LYS 6 1HB LYS 6 4.588 34.577 15.242
45 HG2 LYS 6 2HG LYS 6 7.056 34.483 14.666
46 HG3 LYS 6 1HG LYS 6 7.235 35.932 15.656
47 HD2 LYS 6 2HD LYS 6 6.058 33.325 16.616
48 HD3 LYS 6 1HD LYS 6 7.726 33.836 16.881
49 HE2 LYS 6 2HE LYS 6 6.963 35.759 18.146
50 HE3 LYS 6 1HE LYS 6 5.283 35.332 17.822
51 HZ1 LYS 6 3HZ LYS 6 6.177 34.652 20.052
52 HZ2 LYS 6 1HZ LYS 6 7.151 33.525 19.246
53 HZ3 LYS 6 2HZ LYS 6 5.462 33.408 19.153
54 H GLY 7 H GLY 7 4.000 33.909 12.919
55 HA2 GLY 7 2HA GLY 7 6.417 32.932 11.595
56 HA3 GLY 7 1HA GLY 7 4.986 31.985 11.978
57 H LEU 8 H LEU 8 4.623 35.086 10.485
58 HA LEU 8 HA LEU 8 3.293 33.979 8.228
59 HB2 LEU 8 2HB LEU 8 2.946 36.289 9.293
60 HB3 LEU 8 1HB LEU 8 4.386 36.783 8.429
61 HG LEU 8 HG LEU 8 1.999 35.643 6.988
62 HD11 LEU 8 1HD1 LEU 8 2.541 38.539 7.636
63 HD12 LEU 8 2HD1 LEU 8 1.241 37.556 8.309
64 HD13 LEU 8 3HD1 LEU 8 1.260 37.934 6.587
65 HD21 LEU 8 3HD2 LEU 8 4.228 37.477 6.096
66 HD22 LEU 8 1HD2 LEU 8 2.928 36.843 5.085
67 HD23 LEU 8 2HD2 LEU 8 4.132 35.749 5.763
68 H ASP 9 H ASP 9 6.355 35.776 8.549
69 HA ASP 9 HA ASP 9 7.245 35.070 5.923
70 HB2 ASP 9 2HB ASP 9 9.408 36.082 6.665
71 HB3 ASP 9 1HB ASP 9 8.023 37.144 6.888
72 H GLY 10 H GLY 10 7.511 33.679 9.083
73 HA2 GLY 10 2HA GLY 10 9.730 31.963 8.535
74 HA3 GLY 10 1HA GLY 10 8.605 31.815 9.879
75 H ALA 11 H ALA 11 6.307 31.760 7.968
76 HA ALA 11 HA ALA 11 6.033 28.991 7.678
77 HB1 ALA 11 1HB ALA 11 4.129 30.523 7.782
78 HB2 ALA 11 2HB ALA 11 4.047 29.493 6.353
79 HB3 ALA 11 3HB ALA 11 4.565 31.173 6.204
80 H LYS 12 H LYS 12 7.116 31.481 5.436
81 HA LYS 12 HA LYS 12 7.514 29.535 3.315
82 HB2 LYS 12 2HB LYS 12 8.338 32.447 3.399
83 HB3 LYS 12 1HB LYS 12 8.346 31.406 1.986
84 HG2 LYS 12 2HG LYS 12 6.425 32.622 1.670
85 HG3 LYS 12 1HG LYS 12 5.800 31.178 2.467
86 HD2 LYS 12 2HD LYS 12 5.673 32.312 4.570
87 HD3 LYS 12 1HD LYS 12 6.530 33.711 3.924
88 HE2 LYS 12 2HE LYS 12 4.207 34.261 4.039
89 HE3 LYS 12 1HE LYS 12 4.633 34.057 2.342
90 HZ1 LYS 12 3HZ LYS 12 3.677 31.817 2.433
91 HZ2 LYS 12 1HZ LYS 12 2.535 33.008 2.820
92 HZ3 LYS 12 2HZ LYS 12 3.221 32.068 4.047
93 H LYS 13 H LYS 13 9.463 31.678 5.357
94 HA LYS 13 HA LYS 13 11.574 31.550 6.169
95 HB2 LYS 13 2HB LYS 13 10.594 29.267 6.841
96 HB3 LYS 13 1HB LYS 13 11.539 28.606 5.516
97 HG2 LYS 13 2HG LYS 13 12.679 28.354 7.652
98 HG3 LYS 13 1HG LYS 13 13.588 29.401 6.560
99 HD2 LYS 13 2HD LYS 13 12.863 31.361 7.719
100 HD3 LYS 13 1HD LYS 13 11.711 30.433 8.683
101 HE2 LYS 13 2HE LYS 13 14.711 30.128 8.773
102 HE3 LYS 13 1HE LYS 13 13.737 31.006 9.952
103 HZ1 LYS 13 3HZ LYS 13 14.244 28.778 10.730
104 HZ2 LYS 13 1HZ LYS 13 13.526 28.108 9.352
105 HZ3 LYS 13 2HZ LYS 13 12.576 28.943 10.475
106 H ALA 14 H ALA 14 11.154 32.062 3.327
107 HA ALA 14 HA ALA 14 13.291 30.656 1.955
108 HB1 ALA 14 1HB ALA 14 12.528 31.836 -0.031
109 HB2 ALA 14 2HB ALA 14 11.441 32.816 0.952
110 HB3 ALA 14 3HB ALA 14 11.170 31.080 0.803
111 H VAL 15 H VAL 15 12.492 34.041 2.734
112 HA VAL 15 HA VAL 15 14.976 35.013 1.702
113 HB VAL 15 HB VAL 15 14.318 37.190 2.656
114 HG11 VAL 15 1HG1 VAL 15 12.103 35.780 1.175
115 HG12 VAL 15 2HG1 VAL 15 13.523 36.529 0.447
116 HG13 VAL 15 3HG1 VAL 15 12.329 37.526 1.278
117 HG21 VAL 15 3HG2 VAL 15 11.913 35.704 3.709
118 HG22 VAL 15 1HG2 VAL 15 12.148 37.451 3.751
119 HG23 VAL 15 2HG2 VAL 15 13.209 36.395 4.685
120 H GLY 16 H GLY 16 13.903 33.850 4.772
121 HA2 GLY 16 2HA GLY 16 16.425 34.788 5.991
122 HA3 GLY 16 1HA GLY 16 14.947 34.491 6.895
123 H GLY 17 H GLY 17 15.939 32.324 4.362
124 HA2 GLY 17 2HA GLY 17 16.576 30.323 6.442
125 HA3 GLY 17 1HA GLY 17 15.685 29.943 4.978
126 H LEU 18 H LEU 18 18.485 32.056 5.029
127 HA LEU 18 HA LEU 18 19.838 30.365 3.137
128 HB2 LEU 18 2HB LEU 18 20.756 32.870 4.550
129 HB3 LEU 18 1HB LEU 18 21.645 32.057 3.276
130 HG LEU 18 HG LEU 18 18.915 33.317 2.962
131 HD11 LEU 18 1HD1 LEU 18 21.629 34.219 2.004
132 HD12 LEU 18 2HD1 LEU 18 20.667 34.983 3.269
133 HD13 LEU 18 3HD1 LEU 18 20.085 34.980 1.604
134 HD21 LEU 18 3HD2 LEU 18 20.764 32.078 0.922
135 HD22 LEU 18 1HD2 LEU 18 19.246 32.906 0.573
136 HD23 LEU 18 2HD2 LEU 18 19.238 31.395 1.484
137 H GLY 19 H GLY 19 21.257 31.804 6.064
138 HA2 GLY 19 2HA GLY 19 22.154 29.119 6.876
139 HA3 GLY 19 1HA GLY 19 23.334 30.412 6.691
140 H LYS 20 H LYS 20 20.092 30.219 8.129
141 HA LYS 20 HA LYS 20 21.041 31.811 10.371
142 HB2 LYS 20 2HB LYS 20 18.668 31.811 8.998
143 HB3 LYS 20 1HB LYS 20 18.253 30.868 10.424
144 HG2 LYS 20 2HG LYS 20 17.723 33.115 10.921
145 HG3 LYS 20 1HG LYS 20 19.205 32.744 11.806
146 HD2 LYS 20 2HD LYS 20 19.458 34.907 10.802
147 HD3 LYS 20 1HD LYS 20 20.494 33.775 9.932
148 HE2 LYS 20 2HE LYS 20 18.664 33.530 8.241
149 HE3 LYS 20 1HE LYS 20 17.810 34.833 9.062
150 HZ1 LYS 20 3HZ LYS 20 20.471 35.016 7.751
151 HZ2 LYS 20 1HZ LYS 20 19.744 36.272 8.633
152 HZ3 LYS 20 2HZ LYS 20 19.022 35.706 7.207
153 H LEU 21 H LEU 21 22.423 30.024 11.100
154 HA LEU 21 HA LEU 21 21.432 27.557 11.996
155 HB2 LEU 21 2HB LEU 21 23.861 29.163 12.741
156 HB3 LEU 21 1HB LEU 21 23.493 27.654 13.549
157 HG LEU 21 HG LEU 21 23.558 26.522 11.306
158 HD11 LEU 21 1HD1 LEU 21 23.172 28.473 9.893
159 HD12 LEU 21 2HD1 LEU 21 24.681 27.665 9.469
160 HD13 LEU 21 3HD1 LEU 21 24.714 29.156 10.409
161 HD21 LEU 21 3HD2 LEU 21 26.016 26.543 11.168
162 HD22 LEU 21 1HD2 LEU 21 25.433 26.385 12.825
163 HD23 LEU 21 2HD2 LEU 21 26.047 27.935 12.251
164 H GLY 22 H GLY 22 20.235 27.012 13.657
165 HA2 GLY 22 2HA GLY 22 19.783 27.161 16.049
166 HA3 GLY 22 1HA GLY 22 20.016 28.902 15.922
167 H LYS 23 H LYS 23 18.580 29.221 13.490
168 HA LYS 23 HA LYS 23 15.853 29.016 14.525
169 HB2 LYS 23 2HB LYS 23 16.832 30.479 12.063
170 HB3 LYS 23 1HB LYS 23 15.252 30.633 12.819
171 HG2 LYS 23 2HG LYS 23 17.897 31.517 13.958
172 HG3 LYS 23 1HG LYS 23 16.592 32.546 13.373
173 HD2 LYS 23 2HD LYS 23 16.366 30.647 15.704
174 HD3 LYS 23 1HD LYS 23 16.688 32.376 15.850
175 HE2 LYS 23 2HE LYS 23 14.547 32.857 14.756
176 HE3 LYS 23 1HE LYS 23 14.232 31.126 14.618
177 HZ1 LYS 23 3HZ LYS 23 14.617 32.571 17.186
178 HZ2 LYS 23 1HZ LYS 23 14.191 30.941 17.004
179 HZ3 LYS 23 2HZ LYS 23 13.108 32.157 16.534
180 H ASP 24 H ASP 24 17.850 27.119 12.899
181 HA ASP 24 HA ASP 24 15.911 26.135 10.955
182 HB2 ASP 24 2HB ASP 24 17.699 24.712 10.148
183 HB3 ASP 24 1HB ASP 24 18.323 26.347 10.332
184 H ALA 25 H ALA 25 17.570 25.209 13.910
185 HA ALA 25 HA ALA 25 16.788 22.535 14.044
186 HB1 ALA 25 1HB ALA 25 18.579 23.500 15.405
187 HB2 ALA 25 2HB ALA 25 17.397 22.640 16.394
188 HB3 ALA 25 3HB ALA 25 17.382 24.402 16.335
189 H VAL 26 H VAL 26 15.211 25.436 15.293
190 HA VAL 26 HA VAL 26 13.266 24.247 16.861
191 HB VAL 26 HB VAL 26 13.551 26.588 17.046
192 HG11 VAL 26 1HG1 VAL 26 14.371 27.091 14.824
193 HG12 VAL 26 2HG1 VAL 26 13.046 28.176 15.248
194 HG13 VAL 26 3HG1 VAL 26 12.764 26.827 14.147
195 HG21 VAL 26 3HG2 VAL 26 10.875 26.070 15.760
196 HG22 VAL 26 1HG2 VAL 26 11.282 27.467 16.757
197 HG23 VAL 26 2HG2 VAL 26 11.282 25.851 17.462
198 H GLU 27 H GLU 27 13.014 25.157 13.422
199 HA GLU 27 HA GLU 27 10.368 24.070 13.233
200 HB2 GLU 27 2HB GLU 27 12.260 25.264 11.221
201 HB3 GLU 27 1HB GLU 27 10.691 24.608 10.766
202 HG2 GLU 27 2HG GLU 27 9.528 26.252 11.904
203 HG3 GLU 27 1HG GLU 27 10.903 26.654 12.932
204 H ASP 28 H ASP 28 13.605 23.030 12.333
205 HA ASP 28 HA ASP 28 12.872 20.797 10.781
206 HB2 ASP 28 2HB ASP 28 15.150 21.636 10.766
207 HB3 ASP 28 1HB ASP 28 15.333 21.274 12.477
208 H LEU 29 H LEU 29 13.447 21.186 14.241
209 HA LEU 29 HA LEU 29 13.206 18.517 15.025
210 HB2 LEU 29 2HB LEU 29 14.019 20.316 16.478
211 HB3 LEU 29 1HB LEU 29 12.410 21.008 16.527
212 HG LEU 29 HG LEU 29 11.606 18.933 17.642
213 HD11 LEU 29 1HD1 LEU 29 14.541 18.267 17.772
214 HD12 LEU 29 2HD1 LEU 29 13.325 17.411 16.824
215 HD13 LEU 29 3HD1 LEU 29 13.243 17.393 18.586
216 HD21 LEU 29 3HD2 LEU 29 12.165 20.907 18.944
217 HD22 LEU 29 1HD2 LEU 29 13.852 20.403 19.014
218 HD23 LEU 29 2HD2 LEU 29 12.612 19.441 19.819
219 H GLU 30 H GLU 30 10.681 21.050 14.962
220 HA GLU 30 HA GLU 30 8.670 19.138 15.680
221 HB2 GLU 30 2HB GLU 30 7.085 21.027 15.335
222 HB3 GLU 30 1HB GLU 30 8.376 21.362 16.476
223 HG2 GLU 30 2HG GLU 30 9.572 22.593 14.697
224 HG3 GLU 30 1HG GLU 30 8.191 22.328 13.632
225 H SER 31 H SER 31 10.119 20.033 12.749
226 HA SER 31 HA SER 31 7.976 19.425 10.988
227 HB2 SER 31 2HB SER 31 10.031 20.621 10.266
228 HB3 SER 31 1HB SER 31 10.959 19.142 10.511
229 HG SER 31 HG SER 31 10.476 18.915 8.448
230 H VAL 32 H VAL 32 10.773 17.503 12.084
231 HA VAL 32 HA VAL 32 9.671 15.066 11.068
232 HB VAL 32 HB VAL 32 11.517 13.944 12.234
233 HG11 VAL 32 1HG1 VAL 32 13.356 14.991 10.996
234 HG12 VAL 32 2HG1 VAL 32 12.348 16.412 10.714
235 HG13 VAL 32 3HG1 VAL 32 11.895 14.854 10.019
236 HG21 VAL 32 3HG2 VAL 32 11.633 15.331 14.236
237 HG22 VAL 32 1HG2 VAL 32 12.212 16.692 13.275
238 HG23 VAL 32 2HG2 VAL 32 13.204 15.244 13.442
239 H GLY 33 H GLY 33 9.366 16.852 14.002
240 HA2 GLY 33 2HA GLY 33 8.429 14.816 15.708
241 HA3 GLY 33 1HA GLY 33 8.006 16.519 15.824
242 H LYS 34 H LYS 34 6.644 17.008 13.544
243 HA LYS 34 HA LYS 34 4.129 15.774 14.013
244 HB2 LYS 34 2HB LYS 34 5.080 17.560 11.769
245 HB3 LYS 34 1HB LYS 34 3.419 17.014 11.943
246 HG2 LYS 34 2HG LYS 34 3.368 18.096 14.184
247 HG3 LYS 34 1HG LYS 34 4.965 18.762 13.841
248 HD2 LYS 34 2HD LYS 34 2.529 19.219 12.121
249 HD3 LYS 34 1HD LYS 34 3.070 20.327 13.383
250 HE2 LYS 34 2HE LYS 34 4.717 19.481 11.001
251 HE3 LYS 34 1HE LYS 34 3.806 20.988 11.115
252 HZ1 LYS 34 3HZ LYS 34 6.042 20.168 12.887
253 HZ2 LYS 34 1HZ LYS 34 5.154 21.607 13.031
254 HZ3 LYS 34 2HZ LYS 34 6.121 21.339 11.666
255 H GLY 35 H GLY 35 6.722 15.220 11.726
256 HA2 GLY 35 2HA GLY 35 5.263 13.452 10.030
257 HA3 GLY 35 1HA GLY 35 7.014 13.586 10.129
258 H ALA 36 H ALA 36 7.003 13.063 13.021
259 HA ALA 36 HA ALA 36 7.381 10.268 12.903
260 HB1 ALA 36 1HB ALA 36 8.664 11.721 14.388
261 HB2 ALA 36 2HB ALA 36 7.872 10.422 15.280
262 HB3 ALA 36 3HB ALA 36 7.205 12.055 15.321
263 H VAL 37 H VAL 37 4.581 12.132 13.432
264 HA VAL 37 HA VAL 37 3.113 10.592 15.217
265 HB VAL 37 HB VAL 37 2.088 12.106 12.805
266 HG11 VAL 37 1HG1 VAL 37 0.442 10.479 13.570
267 HG12 VAL 37 2HG1 VAL 37 -0.073 12.120 13.958
268 HG13 VAL 37 3HG1 VAL 37 0.595 11.084 15.219
269 HG21 VAL 37 3HG2 VAL 37 3.308 13.513 14.377
270 HG22 VAL 37 1HG2 VAL 37 2.320 12.906 15.705
271 HG23 VAL 37 2HG2 VAL 37 1.582 13.874 14.428
272 H HIS 38 H HIS 38 3.497 10.193 11.704
273 HA HIS 38 HA HIS 38 1.939 7.736 11.802
274 HB2 HIS 38 2HB HIS 38 2.232 7.635 9.368
275 HB3 HIS 38 1HB HIS 38 1.589 9.190 9.872
276 HD1 HIS 38 1HD HIS 38 2.669 11.138 8.823
277 HD2 HIS 38 2HD HIS 38 5.176 7.821 8.856
278 HE1 HIS 38 1HE HIS 38 4.711 11.817 7.523
279 HE2 HIS 38 2HE HIS 38 6.083 9.714 7.348
280 H ASP 39 H ASP 39 5.167 8.677 12.142
281 HA ASP 39 HA ASP 39 6.411 6.371 10.993
282 HB2 ASP 39 2HB ASP 39 7.636 8.487 11.241
283 HB3 ASP 39 1HB ASP 39 7.493 8.370 12.992
284 H VAL 40 H VAL 40 6.086 7.438 14.391
285 HA VAL 40 HA VAL 40 6.859 4.927 15.458
286 HB VAL 40 HB VAL 40 7.024 7.052 16.729
287 HG11 VAL 40 1HG1 VAL 40 5.053 7.984 17.821
288 HG12 VAL 40 2HG1 VAL 40 4.029 6.825 16.978
289 HG13 VAL 40 3HG1 VAL 40 4.900 8.058 16.066
290 HG21 VAL 40 3HG2 VAL 40 7.109 4.925 17.906
291 HG22 VAL 40 1HG2 VAL 40 5.355 4.915 18.046
292 HG23 VAL 40 2HG2 VAL 40 6.298 6.144 18.892
293 H LYS 41 H LYS 41 3.911 6.169 14.242
294 HA LYS 41 HA LYS 41 2.043 4.574 15.596
295 HB2 LYS 41 2HB LYS 41 1.632 6.592 14.086
296 HB3 LYS 41 1HB LYS 41 1.787 5.483 12.732
297 HG2 LYS 41 2HG LYS 41 -0.546 5.899 13.326
298 HG3 LYS 41 1HG LYS 41 -0.107 4.201 13.523
299 HD2 LYS 41 2HD LYS 41 -1.496 5.098 15.379
300 HD3 LYS 41 1HD LYS 41 0.063 4.458 15.903
301 HE2 LYS 41 2HE LYS 41 -0.427 6.546 17.047
302 HE3 LYS 41 1HE LYS 41 0.963 6.739 15.982
303 HZ1 LYS 41 3HZ LYS 41 -1.817 7.605 15.368
304 HZ2 LYS 41 1HZ LYS 41 -0.472 7.816 14.357
305 HZ3 LYS 41 2HZ LYS 41 -0.548 8.620 15.849
306 H ASP 42 H ASP 42 3.978 3.992 12.691
307 HA ASP 42 HA ASP 42 2.808 1.401 12.238
308 HB2 ASP 42 2HB ASP 42 3.727 2.659 10.349
309 HB3 ASP 42 1HB ASP 42 5.325 2.625 11.091
310 H VAL 43 H VAL 43 5.619 2.698 13.874
311 HA VAL 43 HA VAL 43 7.072 0.343 14.249
312 HB VAL 43 HB VAL 43 6.860 2.710 16.124
313 HG11 VAL 43 1HG1 VAL 43 9.027 1.979 16.995
314 HG12 VAL 43 2HG1 VAL 43 8.956 0.547 15.968
315 HG13 VAL 43 3HG1 VAL 43 7.781 0.760 17.266
316 HG21 VAL 43 3HG2 VAL 43 8.818 2.085 13.921
317 HG22 VAL 43 1HG2 VAL 43 8.946 3.437 15.047
318 HG23 VAL 43 2HG2 VAL 43 7.598 3.357 13.912
319 H LEU 44 H LEU 44 4.413 1.712 16.164
320 HA LEU 44 HA LEU 44 4.562 -0.394 18.117
321 HB2 LEU 44 2HB LEU 44 2.540 0.626 19.071
322 HB3 LEU 44 1HB LEU 44 3.835 1.777 18.832
323 HG LEU 44 HG LEU 44 2.565 2.334 16.610
324 HD11 LEU 44 1HD1 LEU 44 0.135 2.112 16.839
325 HD12 LEU 44 2HD1 LEU 44 0.364 1.151 18.300
326 HD13 LEU 44 3HD1 LEU 44 0.930 0.540 16.745
327 HD21 LEU 44 3HD2 LEU 44 1.581 3.171 19.329
328 HD22 LEU 44 1HD2 LEU 44 1.268 4.025 17.819
329 HD23 LEU 44 2HD2 LEU 44 2.917 3.890 18.430
330 H ASP 45 H ASP 45 3.254 -0.202 15.028
331 HA ASP 45 HA ASP 45 1.168 -2.176 15.597
332 HB2 ASP 45 2HB ASP 45 0.601 -0.234 14.154
333 HB3 ASP 45 1HB ASP 45 1.796 -0.788 12.983
334 H SER 46 H SER 46 3.956 -1.702 13.473
335 HA SER 46 HA SER 46 5.595 -3.087 12.783
336 HB2 SER 46 2HB SER 46 4.374 -5.167 14.597
337 HB3 SER 46 1HB SER 46 6.002 -5.188 13.914
338 HG SER 46 HG SER 46 5.805 -2.879 15.083
339 H VAL 47 H VAL 47 5.276 -3.383 10.698
340 HA VAL 47 HA VAL 47 3.868 -5.829 9.883
341 HB VAL 47 HB VAL 47 3.704 -3.185 8.412
342 HG11 VAL 47 1HG1 VAL 47 2.200 -4.372 6.871
343 HG12 VAL 47 2HG1 VAL 47 2.536 -5.880 7.721
344 HG13 VAL 47 3HG1 VAL 47 3.830 -5.048 6.858
345 HG21 VAL 47 3HG2 VAL 47 1.575 -4.761 9.852
346 HG22 VAL 47 1HG2 VAL 47 1.287 -3.331 8.859
347 HG23 VAL 47 2HG2 VAL 47 2.238 -3.201 10.338
348 H LEU 48 H LEU 48 5.547 -7.073 9.281
349 HA LEU 48 HA LEU 48 7.706 -5.822 7.728
350 HB2 LEU 48 2HB LEU 48 7.649 -8.352 9.368
351 HB3 LEU 48 1HB LEU 48 8.958 -7.965 8.269
352 HG LEU 48 HG LEU 48 9.245 -5.809 9.625
353 HD11 LEU 48 1HD1 LEU 48 8.479 -5.891 11.940
354 HD12 LEU 48 2HD1 LEU 48 7.588 -7.374 11.596
355 HD13 LEU 48 3HD1 LEU 48 7.122 -5.863 10.813
356 HD21 LEU 48 3HD2 LEU 48 10.607 -6.932 11.303
357 HD22 LEU 48 1HD2 LEU 48 10.806 -7.675 9.715
358 HD23 LEU 48 2HD2 LEU 48 9.808 -8.461 10.939
Start of MODEL 9
1 H1 SER 1 1HT SER 1 -6.627 26.247 12.179
2 H2 SER 1 2HT SER 1 -6.645 25.112 13.438
3 H3 SER 1 3HT SER 1 -7.708 26.425 13.475
4 HA SER 1 HA SER 1 -7.723 24.287 11.433
5 HB2 SER 1 2HB SER 1 -9.642 24.735 13.730
6 HB3 SER 1 1HB SER 1 -9.683 23.415 12.561
7 HG SER 1 HG SER 1 -8.629 23.131 14.777
8 H SER 2 H SER 2 -8.575 25.042 9.609
9 HA SER 2 HA SER 2 -10.256 27.416 9.680
10 HB2 SER 2 2HB SER 2 -10.071 26.994 7.085
11 HB3 SER 2 1HB SER 2 -8.709 27.673 7.979
12 HG SER 2 HG SER 2 -8.873 25.346 6.612
13 H LEU 3 H LEU 3 -12.295 26.955 10.214
14 HA LEU 3 HA LEU 3 -13.639 24.553 9.440
15 HB2 LEU 3 2HB LEU 3 -14.703 27.153 10.561
16 HB3 LEU 3 1HB LEU 3 -15.688 25.731 10.293
17 HG LEU 3 HG LEU 3 -14.100 24.522 11.899
18 HD11 LEU 3 1HD1 LEU 3 -13.385 27.370 12.582
19 HD12 LEU 3 2HD1 LEU 3 -12.296 26.163 11.900
20 HD13 LEU 3 3HD1 LEU 3 -12.949 25.946 13.524
21 HD21 LEU 3 3HD2 LEU 3 -15.825 26.760 12.946
22 HD22 LEU 3 1HD2 LEU 3 -15.317 25.331 13.845
23 HD23 LEU 3 2HD2 LEU 3 -16.392 25.164 12.459
24 H LEU 4 H LEU 4 -13.119 27.609 8.050
25 HA LEU 4 HA LEU 4 -14.356 26.908 5.568
26 HB2 LEU 4 2HB LEU 4 -16.265 27.719 7.040
27 HB3 LEU 4 1HB LEU 4 -15.467 29.276 7.087
28 HG LEU 4 HG LEU 4 -15.694 29.407 4.607
29 HD11 LEU 4 1HD1 LEU 4 -17.291 27.897 3.519
30 HD12 LEU 4 2HD1 LEU 4 -17.394 26.949 5.004
31 HD13 LEU 4 3HD1 LEU 4 -15.872 27.038 4.117
32 HD21 LEU 4 3HD2 LEU 4 -18.077 29.943 4.642
33 HD22 LEU 4 1HD2 LEU 4 -17.265 30.531 6.094
34 HD23 LEU 4 2HD2 LEU 4 -18.255 29.072 6.165
35 H GLU 5 H GLU 5 -13.975 28.819 3.985
36 HA GLU 5 HA GLU 5 -11.321 29.792 4.351
37 HB2 GLU 5 2HB GLU 5 -13.412 30.568 2.308
38 HB3 GLU 5 1HB GLU 5 -11.749 31.127 2.277
39 HG2 GLU 5 2HG GLU 5 -11.922 29.350 0.729
40 HG3 GLU 5 1HG GLU 5 -11.037 28.734 2.124
41 H LYS 6 H LYS 6 -14.482 31.071 4.968
42 HA LYS 6 HA LYS 6 -13.413 33.687 5.683
43 HB2 LYS 6 2HB LYS 6 -15.581 33.488 4.490
44 HB3 LYS 6 1HB LYS 6 -16.238 32.604 5.859
45 HG2 LYS 6 2HG LYS 6 -16.032 34.539 7.272
46 HG3 LYS 6 1HG LYS 6 -15.218 35.434 5.987
47 HD2 LYS 6 2HD LYS 6 -17.564 36.086 6.160
48 HD3 LYS 6 1HD LYS 6 -17.236 35.304 4.613
49 HE2 LYS 6 2HE LYS 6 -18.196 33.229 5.432
50 HE3 LYS 6 1HE LYS 6 -18.452 33.950 7.021
51 HZ1 LYS 6 3HZ LYS 6 -19.708 34.920 4.508
52 HZ2 LYS 6 1HZ LYS 6 -20.021 35.479 6.079
53 HZ3 LYS 6 2HZ LYS 6 -20.468 33.902 5.632
54 H GLY 7 H GLY 7 -13.512 30.728 7.068
55 HA2 GLY 7 2HA GLY 7 -14.151 31.729 9.767
56 HA3 GLY 7 1HA GLY 7 -14.311 30.057 9.261
57 H LEU 8 H LEU 8 -11.709 32.490 9.154
58 HA LEU 8 HA LEU 8 -10.213 31.301 11.221
59 HB2 LEU 8 2HB LEU 8 -8.388 30.299 10.117
60 HB3 LEU 8 1HB LEU 8 -9.818 29.606 9.383
61 HG LEU 8 HG LEU 8 -8.307 31.890 8.121
62 HD11 LEU 8 1HD1 LEU 8 -6.761 30.032 8.389
63 HD12 LEU 8 2HD1 LEU 8 -7.229 30.205 6.697
64 HD13 LEU 8 3HD1 LEU 8 -7.940 28.929 7.684
65 HD21 LEU 8 3HD2 LEU 8 -10.210 29.833 7.010
66 HD22 LEU 8 1HD2 LEU 8 -9.414 31.115 6.095
67 HD23 LEU 8 2HD2 LEU 8 -10.592 31.524 7.342
68 H ASP 9 H ASP 9 -8.108 32.370 11.513
69 HA ASP 9 HA ASP 9 -8.284 35.155 10.687
70 HB2 ASP 9 2HB ASP 9 -6.385 33.727 12.564
71 HB3 ASP 9 1HB ASP 9 -6.349 35.458 12.250
72 H GLY 10 H GLY 10 -6.517 32.316 9.900
73 HA2 GLY 10 2HA GLY 10 -4.161 33.631 8.895
74 HA3 GLY 10 1HA GLY 10 -4.541 31.923 8.770
75 H ALA 11 H ALA 11 -7.055 33.879 7.622
76 HA ALA 11 HA ALA 11 -6.004 33.701 4.871
77 HB1 ALA 11 1HB ALA 11 -8.267 33.356 4.064
78 HB2 ALA 11 2HB ALA 11 -8.895 33.467 5.709
79 HB3 ALA 11 3HB ALA 11 -7.852 32.119 5.252
80 H LYS 12 H LYS 12 -6.654 35.758 7.287
81 HA LYS 12 HA LYS 12 -7.400 37.938 5.451
82 HB2 LYS 12 2HB LYS 12 -8.107 37.509 8.352
83 HB3 LYS 12 1HB LYS 12 -8.164 39.105 7.623
84 HG2 LYS 12 2HG LYS 12 -10.366 38.261 7.576
85 HG3 LYS 12 1HG LYS 12 -9.764 38.155 5.923
86 HD2 LYS 12 2HD LYS 12 -9.308 35.776 6.235
87 HD3 LYS 12 1HD LYS 12 -9.866 35.881 7.905
88 HE2 LYS 12 2HE LYS 12 -11.616 34.960 6.509
89 HE3 LYS 12 1HE LYS 12 -12.095 36.547 7.104
90 HZ1 LYS 12 3HZ LYS 12 -11.460 37.495 4.965
91 HZ2 LYS 12 1HZ LYS 12 -12.639 36.292 4.770
92 HZ3 LYS 12 2HZ LYS 12 -11.023 35.956 4.394
93 H LYS 13 H LYS 13 -5.891 37.503 8.655
94 HA LYS 13 HA LYS 13 -3.856 38.053 9.482
95 HB2 LYS 13 2HB LYS 13 -3.168 38.131 6.549
96 HB3 LYS 13 1HB LYS 13 -1.975 38.331 7.826
97 HG2 LYS 13 2HG LYS 13 -3.751 35.919 7.565
98 HG3 LYS 13 1HG LYS 13 -2.138 36.031 6.864
99 HD2 LYS 13 2HD LYS 13 -2.617 36.518 9.788
100 HD3 LYS 13 1HD LYS 13 -2.388 34.889 9.151
101 HE2 LYS 13 2HE LYS 13 -0.265 35.637 9.907
102 HE3 LYS 13 1HE LYS 13 -0.232 35.684 8.149
103 HZ1 LYS 13 3HZ LYS 13 -0.554 38.066 8.216
104 HZ2 LYS 13 1HZ LYS 13 0.789 37.641 9.156
105 HZ3 LYS 13 2HZ LYS 13 -0.677 38.040 9.905
106 H ALA 14 H ALA 14 -5.825 40.249 8.345
107 HA ALA 14 HA ALA 14 -4.131 42.504 7.897
108 HB1 ALA 14 1HB ALA 14 -6.168 43.835 8.079
109 HB2 ALA 14 2HB ALA 14 -7.043 42.430 8.689
110 HB3 ALA 14 3HB ALA 14 -6.419 42.433 7.039
111 H VAL 15 H VAL 15 -6.073 41.412 10.656
112 HA VAL 15 HA VAL 15 -4.630 43.277 12.398
113 HB VAL 15 HB VAL 15 -6.948 41.460 13.107
114 HG11 VAL 15 1HG1 VAL 15 -7.200 42.922 15.053
115 HG12 VAL 15 2HG1 VAL 15 -5.782 43.841 14.548
116 HG13 VAL 15 3HG1 VAL 15 -5.615 42.152 15.028
117 HG21 VAL 15 3HG2 VAL 15 -8.364 43.459 12.940
118 HG22 VAL 15 1HG2 VAL 15 -7.627 43.051 11.389
119 HG23 VAL 15 2HG2 VAL 15 -6.982 44.382 12.350
120 H GLY 16 H GLY 16 -4.936 39.955 11.547
121 HA2 GLY 16 2HA GLY 16 -3.625 38.887 13.866
122 HA3 GLY 16 1HA GLY 16 -3.991 38.025 12.379
123 H GLY 17 H GLY 17 -1.866 40.667 13.481
124 HA2 GLY 17 2HA GLY 17 0.257 39.612 11.749
125 HA3 GLY 17 1HA GLY 17 0.254 41.184 12.540
126 H LEU 18 H LEU 18 0.827 41.341 14.722
127 HA LEU 18 HA LEU 18 2.430 39.064 15.645
128 HB2 LEU 18 2HB LEU 18 3.480 40.765 17.181
129 HB3 LEU 18 1HB LEU 18 3.783 40.982 15.470
130 HG LEU 18 HG LEU 18 1.843 42.692 15.551
131 HD11 LEU 18 1HD1 LEU 18 1.556 43.806 17.711
132 HD12 LEU 18 2HD1 LEU 18 2.546 42.565 18.480
133 HD13 LEU 18 3HD1 LEU 18 0.995 42.135 17.759
134 HD21 LEU 18 3HD2 LEU 18 4.468 43.260 16.919
135 HD22 LEU 18 1HD2 LEU 18 3.386 44.467 16.220
136 HD23 LEU 18 2HD2 LEU 18 4.173 43.279 15.179
137 H GLY 19 H GLY 19 -0.561 40.212 16.052
138 HA2 GLY 19 2HA GLY 19 -0.760 39.913 18.933
139 HA3 GLY 19 1HA GLY 19 -2.081 40.258 17.823
140 H LYS 20 H LYS 20 -0.328 37.754 16.589
141 HA LYS 20 HA LYS 20 -1.976 35.722 17.939
142 HB2 LYS 20 2HB LYS 20 -1.114 35.773 15.033
143 HB3 LYS 20 1HB LYS 20 -1.990 34.462 15.810
144 HG2 LYS 20 2HG LYS 20 -3.049 37.271 15.582
145 HG3 LYS 20 1HG LYS 20 -3.390 35.992 14.417
146 HD2 LYS 20 2HD LYS 20 -4.000 35.789 17.362
147 HD3 LYS 20 1HD LYS 20 -5.164 36.335 16.155
148 HE2 LYS 20 2HE LYS 20 -4.918 34.184 14.980
149 HE3 LYS 20 1HE LYS 20 -3.804 33.641 16.236
150 HZ1 LYS 20 3HZ LYS 20 -6.640 34.415 16.684
151 HZ2 LYS 20 1HZ LYS 20 -5.566 33.823 17.859
152 HZ3 LYS 20 2HZ LYS 20 -6.064 32.820 16.586
153 H LEU 21 H LEU 21 -0.500 34.933 19.357
154 HA LEU 21 HA LEU 21 2.200 34.365 18.366
155 HB2 LEU 21 2HB LEU 21 2.729 34.047 20.814
156 HB3 LEU 21 1HB LEU 21 2.312 35.669 20.311
157 HG LEU 21 HG LEU 21 -0.049 35.158 21.171
158 HD11 LEU 21 1HD1 LEU 21 0.176 32.738 21.355
159 HD12 LEU 21 2HD1 LEU 21 -0.205 33.463 22.917
160 HD13 LEU 21 3HD1 LEU 21 1.443 32.940 22.566
161 HD21 LEU 21 3HD2 LEU 21 1.474 36.671 22.292
162 HD22 LEU 21 1HD2 LEU 21 2.265 35.312 23.094
163 HD23 LEU 21 2HD2 LEU 21 0.588 35.707 23.473
164 H GLY 22 H GLY 22 -0.694 32.802 18.931
165 HA2 GLY 22 2HA GLY 22 0.131 30.352 20.045
166 HA3 GLY 22 1HA GLY 22 -1.316 30.600 19.082
167 H LYS 23 H LYS 23 0.682 31.626 16.927
168 HA LYS 23 HA LYS 23 0.888 29.079 15.601
169 HB2 LYS 23 2HB LYS 23 1.834 30.470 13.714
170 HB3 LYS 23 1HB LYS 23 0.200 30.875 14.212
171 HG2 LYS 23 2HG LYS 23 1.239 32.937 13.871
172 HG3 LYS 23 1HG LYS 23 1.263 32.725 15.619
173 HD2 LYS 23 2HD LYS 23 3.398 33.553 15.016
174 HD3 LYS 23 1HD LYS 23 3.615 31.836 15.356
175 HE2 LYS 23 2HE LYS 23 3.393 31.440 12.871
176 HE3 LYS 23 1HE LYS 23 3.490 33.189 12.667
177 HZ1 LYS 23 3HZ LYS 23 5.665 32.360 12.385
178 HZ2 LYS 23 1HZ LYS 23 5.564 31.364 13.750
179 HZ3 LYS 23 2HZ LYS 23 5.652 33.050 13.928
180 H ASP 24 H ASP 24 2.927 30.998 17.543
181 HA ASP 24 HA ASP 24 5.366 30.531 16.110
182 HB2 ASP 24 2HB ASP 24 5.049 32.583 17.371
183 HB3 ASP 24 1HB ASP 24 4.858 31.672 18.864
184 H ALA 25 H ALA 25 4.205 29.432 19.297
185 HA ALA 25 HA ALA 25 6.566 27.931 19.795
186 HB1 ALA 25 1HB ALA 25 5.428 27.154 21.801
187 HB2 ALA 25 2HB ALA 25 3.903 27.812 21.203
188 HB3 ALA 25 3HB ALA 25 5.237 28.897 21.597
189 H VAL 26 H VAL 26 3.596 27.150 18.190
190 HA VAL 26 HA VAL 26 3.884 24.314 18.747
191 HB VAL 26 HB VAL 26 1.658 25.365 18.880
192 HG11 VAL 26 1HG1 VAL 26 1.928 25.696 15.899
193 HG12 VAL 26 2HG1 VAL 26 1.849 26.989 17.095
194 HG13 VAL 26 3HG1 VAL 26 0.452 25.945 16.831
195 HG21 VAL 26 3HG2 VAL 26 1.924 23.245 16.759
196 HG22 VAL 26 1HG2 VAL 26 0.442 23.643 17.629
197 HG23 VAL 26 2HG2 VAL 26 1.826 22.984 18.500
198 H GLU 27 H GLU 27 4.483 26.524 16.103
199 HA GLU 27 HA GLU 27 3.989 24.807 13.963
200 HB2 GLU 27 2HB GLU 27 5.371 26.333 12.613
201 HB3 GLU 27 1HB GLU 27 4.190 27.173 13.610
202 HG2 GLU 27 2HG GLU 27 5.970 27.705 15.226
203 HG3 GLU 27 1HG GLU 27 7.140 26.910 14.170
204 H ASP 28 H ASP 28 7.068 25.383 15.664
205 HA ASP 28 HA ASP 28 8.559 23.719 13.905
206 HB2 ASP 28 2HB ASP 28 9.603 25.501 15.250
207 HB3 ASP 28 1HB ASP 28 9.226 24.602 16.718
208 H LEU 29 H LEU 29 6.755 23.153 16.824
209 HA LEU 29 HA LEU 29 7.924 20.627 17.441
210 HB2 LEU 29 2HB LEU 29 5.295 21.816 18.324
211 HB3 LEU 29 1HB LEU 29 6.038 20.386 19.011
212 HG LEU 29 HG LEU 29 7.165 23.183 19.127
213 HD11 LEU 29 1HD1 LEU 29 5.210 22.879 20.554
214 HD12 LEU 29 2HD1 LEU 29 6.681 23.021 21.518
215 HD13 LEU 29 3HD1 LEU 29 5.944 21.439 21.263
216 HD21 LEU 29 3HD2 LEU 29 8.936 21.511 19.016
217 HD22 LEU 29 1HD2 LEU 29 8.182 20.608 20.330
218 HD23 LEU 29 2HD2 LEU 29 8.842 22.217 20.630
219 H GLU 30 H GLU 30 4.870 21.612 15.896
220 HA GLU 30 HA GLU 30 4.167 18.837 15.460
221 HB2 GLU 30 2HB GLU 30 2.086 19.743 14.474
222 HB3 GLU 30 1HB GLU 30 2.388 20.323 16.103
223 HG2 GLU 30 2HG GLU 30 1.741 22.260 15.115
224 HG3 GLU 30 1HG GLU 30 3.476 22.344 14.821
225 H SER 31 H SER 31 6.160 20.919 13.888
226 HA SER 31 HA SER 31 5.575 20.461 11.176
227 HB2 SER 31 2HB SER 31 7.191 22.173 11.914
228 HB3 SER 31 1HB SER 31 8.273 20.904 12.489
229 HG SER 31 HG SER 31 8.439 21.917 10.194
230 H VAL 32 H VAL 32 7.984 18.873 13.265
231 HA VAL 32 HA VAL 32 8.475 16.730 11.480
232 HB VAL 32 HB VAL 32 9.649 15.663 13.348
233 HG11 VAL 32 1HG1 VAL 32 10.835 17.359 12.104
234 HG12 VAL 32 2HG1 VAL 32 11.281 17.458 13.807
235 HG13 VAL 32 3HG1 VAL 32 10.153 18.627 13.121
236 HG21 VAL 32 3HG2 VAL 32 8.572 17.926 15.029
237 HG22 VAL 32 1HG2 VAL 32 9.728 16.701 15.553
238 HG23 VAL 32 2HG2 VAL 32 8.077 16.237 15.137
239 H GLY 33 H GLY 33 5.911 17.415 13.560
240 HA2 GLY 33 2HA GLY 33 5.177 14.887 14.528
241 HA3 GLY 33 1HA GLY 33 4.091 16.248 14.304
242 H LYS 34 H LYS 34 4.517 16.447 11.435
243 HA LYS 34 HA LYS 34 2.479 14.697 10.597
244 HB2 LYS 34 2HB LYS 34 4.321 16.573 9.183
245 HB3 LYS 34 1HB LYS 34 3.413 15.408 8.228
246 HG2 LYS 34 2HG LYS 34 1.994 17.201 8.190
247 HG3 LYS 34 1HG LYS 34 1.372 16.325 9.586
248 HD2 LYS 34 2HD LYS 34 1.487 18.617 10.190
249 HD3 LYS 34 1HD LYS 34 2.815 17.806 11.021
250 HE2 LYS 34 2HE LYS 34 4.405 18.634 9.455
251 HE3 LYS 34 1HE LYS 34 3.134 19.220 8.385
252 HZ1 LYS 34 3HZ LYS 34 4.122 21.025 9.628
253 HZ2 LYS 34 1HZ LYS 34 3.738 20.271 11.097
254 HZ3 LYS 34 2HZ LYS 34 2.503 20.826 10.083
255 H GLY 35 H GLY 35 5.889 14.257 10.801
256 HA2 GLY 35 2HA GLY 35 5.707 11.810 9.173
257 HA3 GLY 35 1HA GLY 35 7.199 12.619 9.632
258 H ALA 36 H ALA 36 6.754 12.996 12.332
259 HA ALA 36 HA ALA 36 7.726 10.567 13.333
260 HB1 ALA 36 1HB ALA 36 7.624 11.614 15.525
261 HB2 ALA 36 2HB ALA 36 6.597 12.896 14.881
262 HB3 ALA 36 3HB ALA 36 8.264 12.735 14.324
263 H VAL 37 H VAL 37 4.483 12.015 13.562
264 HA VAL 37 HA VAL 37 3.434 10.155 15.391
265 HB VAL 37 HB VAL 37 2.003 11.792 13.288
266 HG11 VAL 37 1HG1 VAL 37 -0.052 11.336 14.550
267 HG12 VAL 37 2HG1 VAL 37 0.841 10.235 15.601
268 HG13 VAL 37 3HG1 VAL 37 0.643 9.855 13.891
269 HG21 VAL 37 3HG2 VAL 37 1.404 13.224 15.175
270 HG22 VAL 37 1HG2 VAL 37 3.154 13.099 15.000
271 HG23 VAL 37 2HG2 VAL 37 2.327 12.184 16.262
272 H HIS 38 H HIS 38 3.421 10.167 11.834
273 HA HIS 38 HA HIS 38 1.985 7.728 11.599
274 HB2 HIS 38 2HB HIS 38 2.271 9.459 9.766
275 HB3 HIS 38 1HB HIS 38 3.913 8.856 9.557
276 HD1 HIS 38 1HD HIS 38 0.448 8.250 8.560
277 HD2 HIS 38 2HD HIS 38 3.987 6.060 8.687
278 HE1 HIS 38 1HE HIS 38 0.055 6.230 7.111
279 HE2 HIS 38 2HE HIS 38 2.119 4.814 7.398
280 H ASP 39 H ASP 39 5.402 8.559 11.763
281 HA ASP 39 HA ASP 39 6.519 6.067 11.166
282 HB2 ASP 39 2HB ASP 39 7.873 8.091 11.311
283 HB3 ASP 39 1HB ASP 39 7.516 8.237 13.026
284 H VAL 40 H VAL 40 5.946 7.479 14.393
285 HA VAL 40 HA VAL 40 6.650 5.210 15.858
286 HB VAL 40 HB VAL 40 4.699 7.393 16.616
287 HG11 VAL 40 1HG1 VAL 40 5.183 6.760 18.941
288 HG12 VAL 40 2HG1 VAL 40 6.132 5.393 18.360
289 HG13 VAL 40 3HG1 VAL 40 4.398 5.455 18.049
290 HG21 VAL 40 3HG2 VAL 40 6.605 8.386 17.783
291 HG22 VAL 40 1HG2 VAL 40 6.916 8.244 16.054
292 HG23 VAL 40 2HG2 VAL 40 7.648 7.099 17.180
293 H LYS 41 H LYS 41 3.472 6.246 14.653
294 HA LYS 41 HA LYS 41 1.961 4.194 15.820
295 HB2 LYS 41 2HB LYS 41 0.899 6.151 14.849
296 HB3 LYS 41 1HB LYS 41 1.504 5.731 13.256
297 HG2 LYS 41 2HG LYS 41 -0.203 3.733 14.625
298 HG3 LYS 41 1HG LYS 41 -0.979 5.203 14.031
299 HD2 LYS 41 2HD LYS 41 -0.223 4.773 11.798
300 HD3 LYS 41 1HD LYS 41 0.782 3.428 12.343
301 HE2 LYS 41 2HE LYS 41 -2.223 3.528 12.559
302 HE3 LYS 41 1HE LYS 41 -1.339 2.726 11.261
303 HZ1 LYS 41 3HZ LYS 41 -0.270 1.320 12.966
304 HZ2 LYS 41 1HZ LYS 41 -1.956 1.124 12.911
305 HZ3 LYS 41 2HZ LYS 41 -1.258 2.034 14.150
306 H ASP 42 H ASP 42 3.586 4.366 12.676
307 HA ASP 42 HA ASP 42 2.702 1.892 11.676
308 HB2 ASP 42 2HB ASP 42 3.783 3.714 10.338
309 HB3 ASP 42 1HB ASP 42 5.324 3.275 11.070
310 H VAL 43 H VAL 43 5.543 2.796 13.551
311 HA VAL 43 HA VAL 43 6.806 0.276 13.515
312 HB VAL 43 HB VAL 43 7.030 2.521 15.527
313 HG11 VAL 43 1HG1 VAL 43 8.832 0.140 15.087
314 HG12 VAL 43 2HG1 VAL 43 7.803 0.422 16.491
315 HG13 VAL 43 3HG1 VAL 43 9.166 1.495 16.167
316 HG21 VAL 43 3HG2 VAL 43 7.639 3.159 13.250
317 HG22 VAL 43 1HG2 VAL 43 8.757 1.797 13.162
318 HG23 VAL 43 2HG2 VAL 43 9.053 3.111 14.302
319 H LEU 44 H LEU 44 4.484 1.731 15.781
320 HA LEU 44 HA LEU 44 4.810 -0.374 17.672
321 HB2 LEU 44 2HB LEU 44 2.948 0.612 18.891
322 HB3 LEU 44 1HB LEU 44 4.161 1.796 18.461
323 HG LEU 44 HG LEU 44 2.564 2.333 16.469
324 HD11 LEU 44 1HD1 LEU 44 0.203 2.006 17.013
325 HD12 LEU 44 2HD1 LEU 44 0.659 1.041 18.416
326 HD13 LEU 44 3HD1 LEU 44 1.036 0.467 16.791
327 HD21 LEU 44 3HD2 LEU 44 3.109 3.864 18.289
328 HD22 LEU 44 1HD2 LEU 44 1.888 3.099 19.306
329 HD23 LEU 44 2HD2 LEU 44 1.405 3.972 17.853
330 H ASP 45 H ASP 45 2.770 -0.006 14.868
331 HA ASP 45 HA ASP 45 1.203 -2.324 15.701
332 HB2 ASP 45 2HB ASP 45 -0.146 -2.032 13.749
333 HB3 ASP 45 1HB ASP 45 0.093 -0.445 14.461
334 H SER 46 H SER 46 4.069 -1.643 14.124
335 HA SER 46 HA SER 46 4.167 -3.950 12.419
336 HB2 SER 46 2HB SER 46 5.433 -1.817 12.005
337 HB3 SER 46 1HB SER 46 6.443 -2.204 13.394
338 HG SER 46 HG SER 46 6.960 -2.882 11.010
339 H VAL 47 H VAL 47 5.321 -3.048 15.620
340 HA VAL 47 HA VAL 47 6.653 -5.608 15.977
341 HB VAL 47 HB VAL 47 7.365 -4.733 18.155
342 HG11 VAL 47 1HG1 VAL 47 8.795 -2.926 17.337
343 HG12 VAL 47 2HG1 VAL 47 7.802 -2.798 15.885
344 HG13 VAL 47 3HG1 VAL 47 8.724 -4.269 16.197
345 HG21 VAL 47 3HG2 VAL 47 6.886 -2.393 18.760
346 HG22 VAL 47 1HG2 VAL 47 5.433 -3.391 18.732
347 HG23 VAL 47 2HG2 VAL 47 5.769 -2.285 17.401
348 H LEU 48 H LEU 48 6.315 -6.640 18.200
349 HA LEU 48 HA LEU 48 3.426 -6.998 18.589
350 HB2 LEU 48 2HB LEU 48 5.751 -8.838 19.180
351 HB3 LEU 48 1HB LEU 48 4.104 -9.168 19.674
352 HG LEU 48 HG LEU 48 3.496 -9.073 17.194
353 HD11 LEU 48 1HD1 LEU 48 5.540 -7.966 16.412
354 HD12 LEU 48 2HD1 LEU 48 5.275 -9.511 15.605
355 HD13 LEU 48 3HD1 LEU 48 6.478 -9.380 16.888
356 HD21 LEU 48 3HD2 LEU 48 5.340 -11.242 18.183
357 HD22 LEU 48 1HD2 LEU 48 4.215 -11.380 16.833
358 HD23 LEU 48 2HD2 LEU 48 3.603 -11.142 18.469
Start of MODEL 10
1 H1 SER 1 1HT SER 1 11.784 -6.346 37.093
2 H2 SER 1 2HT SER 1 10.371 -7.271 36.934
3 H3 SER 1 3HT SER 1 11.476 -7.186 35.650
4 HA SER 1 HA SER 1 11.923 -8.448 38.289
5 HB2 SER 1 2HB SER 1 11.726 -9.627 35.503
6 HB3 SER 1 1HB SER 1 12.098 -10.532 36.968
7 HG SER 1 HG SER 1 9.824 -9.107 37.304
8 H SER 2 H SER 2 13.922 -7.858 38.905
9 HA SER 2 HA SER 2 15.988 -7.629 36.832
10 HB2 SER 2 2HB SER 2 16.007 -6.644 39.692
11 HB3 SER 2 1HB SER 2 17.268 -6.356 38.493
12 HG SER 2 HG SER 2 15.869 -5.117 37.309
13 H LEU 3 H LEU 3 15.639 -8.904 40.145
14 HA LEU 3 HA LEU 3 18.161 -10.075 40.299
15 HB2 LEU 3 2HB LEU 3 17.470 -11.100 42.297
16 HB3 LEU 3 1HB LEU 3 16.605 -9.581 42.206
17 HG LEU 3 HG LEU 3 15.387 -12.246 41.475
18 HD11 LEU 3 1HD1 LEU 3 14.246 -12.127 43.635
19 HD12 LEU 3 2HD1 LEU 3 15.178 -10.688 44.047
20 HD13 LEU 3 3HD1 LEU 3 15.998 -12.233 43.828
21 HD21 LEU 3 3HD2 LEU 3 14.292 -10.330 40.435
22 HD22 LEU 3 1HD2 LEU 3 14.141 -9.551 42.009
23 HD23 LEU 3 2HD2 LEU 3 13.266 -11.046 41.677
24 H LEU 4 H LEU 4 15.384 -11.251 38.649
25 HA LEU 4 HA LEU 4 15.674 -14.004 38.803
26 HB2 LEU 4 2HB LEU 4 13.820 -12.727 37.694
27 HB3 LEU 4 1HB LEU 4 14.886 -12.460 36.330
28 HG LEU 4 HG LEU 4 14.287 -15.265 37.222
29 HD11 LEU 4 1HD1 LEU 4 12.116 -14.196 37.020
30 HD12 LEU 4 2HD1 LEU 4 12.388 -15.296 35.669
31 HD13 LEU 4 3HD1 LEU 4 12.557 -13.556 35.438
32 HD21 LEU 4 3HD2 LEU 4 16.029 -14.908 35.539
33 HD22 LEU 4 1HD2 LEU 4 14.884 -14.023 34.532
34 HD23 LEU 4 2HD2 LEU 4 14.635 -15.742 34.849
35 H GLU 5 H GLU 5 17.240 -11.747 36.561
36 HA GLU 5 HA GLU 5 19.273 -13.816 36.032
37 HB2 GLU 5 2HB GLU 5 17.906 -13.122 34.039
38 HB3 GLU 5 1HB GLU 5 18.514 -11.485 34.247
39 HG2 GLU 5 2HG GLU 5 20.805 -12.333 33.898
40 HG3 GLU 5 1HG GLU 5 20.140 -13.937 33.604
41 H LYS 6 H LYS 6 18.810 -11.616 38.079
42 HA LYS 6 HA LYS 6 20.011 -10.191 39.346
43 HB2 LYS 6 2HB LYS 6 22.359 -10.827 37.550
44 HB3 LYS 6 1HB LYS 6 22.431 -10.055 39.128
45 HG2 LYS 6 2HG LYS 6 21.526 -12.093 40.153
46 HG3 LYS 6 1HG LYS 6 21.509 -12.867 38.569
47 HD2 LYS 6 2HD LYS 6 23.979 -12.450 38.446
48 HD3 LYS 6 1HD LYS 6 23.907 -11.924 40.130
49 HE2 LYS 6 2HE LYS 6 23.213 -14.645 39.035
50 HE3 LYS 6 1HE LYS 6 24.578 -14.229 40.068
51 HZ1 LYS 6 3HZ LYS 6 22.938 -13.586 41.794
52 HZ2 LYS 6 1HZ LYS 6 22.898 -15.237 41.400
53 HZ3 LYS 6 2HZ LYS 6 21.701 -14.193 40.804
54 H GLY 7 H GLY 7 20.484 -9.836 35.879
55 HA2 GLY 7 2HA GLY 7 19.717 -7.013 36.177
56 HA3 GLY 7 1HA GLY 7 21.123 -7.428 35.201
57 H LEU 8 H LEU 8 17.969 -9.002 35.550
58 HA LEU 8 HA LEU 8 17.829 -9.759 32.846
59 HB2 LEU 8 2HB LEU 8 16.636 -10.937 34.614
60 HB3 LEU 8 1HB LEU 8 15.631 -9.529 34.899
61 HG LEU 8 HG LEU 8 14.710 -9.776 32.595
62 HD11 LEU 8 1HD1 LEU 8 16.570 -10.982 31.591
63 HD12 LEU 8 2HD1 LEU 8 15.061 -11.878 31.413
64 HD13 LEU 8 3HD1 LEU 8 16.242 -12.371 32.629
65 HD21 LEU 8 3HD2 LEU 8 13.510 -10.652 34.519
66 HD22 LEU 8 1HD2 LEU 8 14.405 -12.168 34.406
67 HD23 LEU 8 2HD2 LEU 8 13.293 -11.702 33.117
68 H ASP 9 H ASP 9 16.279 -7.078 34.594
69 HA ASP 9 HA ASP 9 14.828 -6.176 32.307
70 HB2 ASP 9 2HB ASP 9 14.149 -4.302 33.637
71 HB3 ASP 9 1HB ASP 9 14.147 -5.715 34.684
72 H GLY 10 H GLY 10 18.050 -5.992 33.188
73 HA2 GLY 10 2HA GLY 10 18.761 -3.482 32.063
74 HA3 GLY 10 1HA GLY 10 19.850 -4.834 32.347
75 H ALA 11 H ALA 11 18.206 -6.668 30.736
76 HA ALA 11 HA ALA 11 19.385 -6.165 28.188
77 HB1 ALA 11 1HB ALA 11 17.302 -8.205 28.960
78 HB2 ALA 11 2HB ALA 11 19.048 -8.431 29.057
79 HB3 ALA 11 3HB ALA 11 18.272 -8.216 27.487
80 H LYS 12 H LYS 12 16.429 -5.296 29.666
81 HA LYS 12 HA LYS 12 15.255 -4.561 27.060
82 HB2 LYS 12 2HB LYS 12 13.858 -4.873 29.727
83 HB3 LYS 12 1HB LYS 12 13.090 -4.575 28.176
84 HG2 LYS 12 2HG LYS 12 14.651 -7.051 28.874
85 HG3 LYS 12 1HG LYS 12 12.894 -6.912 28.926
86 HD2 LYS 12 2HD LYS 12 14.291 -6.188 26.399
87 HD3 LYS 12 1HD LYS 12 14.163 -7.895 26.821
88 HE2 LYS 12 2HE LYS 12 12.307 -7.243 25.404
89 HE3 LYS 12 1HE LYS 12 11.730 -7.658 27.014
90 HZ1 LYS 12 3HZ LYS 12 10.684 -5.654 26.074
91 HZ2 LYS 12 1HZ LYS 12 12.192 -4.877 26.073
92 HZ3 LYS 12 2HZ LYS 12 11.480 -5.353 27.538
93 H LYS 13 H LYS 13 17.213 -3.224 29.073
94 HA LYS 13 HA LYS 13 15.713 -1.016 30.153
95 HB2 LYS 13 2HB LYS 13 17.878 -2.287 31.039
96 HB3 LYS 13 1HB LYS 13 18.691 -1.026 30.125
97 HG2 LYS 13 2HG LYS 13 18.496 -0.336 32.409
98 HG3 LYS 13 1HG LYS 13 17.429 0.664 31.421
99 HD2 LYS 13 2HD LYS 13 15.507 -0.525 32.134
100 HD3 LYS 13 1HD LYS 13 16.482 -1.794 32.878
101 HE2 LYS 13 2HE LYS 13 17.337 -0.146 34.496
102 HE3 LYS 13 1HE LYS 13 16.297 1.080 33.773
103 HZ1 LYS 13 3HZ LYS 13 14.372 -0.105 34.454
104 HZ2 LYS 13 1HZ LYS 13 15.385 0.019 35.807
105 HZ3 LYS 13 2HZ LYS 13 15.282 -1.448 34.956
106 H ALA 14 H ALA 14 18.111 -1.485 27.588
107 HA ALA 14 HA ALA 14 18.087 1.386 27.030
108 HB1 ALA 14 1HB ALA 14 20.021 0.944 25.622
109 HB2 ALA 14 2HB ALA 14 19.827 -0.790 25.880
110 HB3 ALA 14 3HB ALA 14 20.251 0.263 27.230
111 H VAL 15 H VAL 15 16.519 -1.384 26.000
112 HA VAL 15 HA VAL 15 16.422 -1.206 23.236
113 HB VAL 15 HB VAL 15 14.177 -2.041 25.084
114 HG11 VAL 15 1HG1 VAL 15 14.623 -2.632 22.159
115 HG12 VAL 15 2HG1 VAL 15 13.357 -1.609 22.836
116 HG13 VAL 15 3HG1 VAL 15 13.360 -3.341 23.167
117 HG21 VAL 15 3HG2 VAL 15 16.213 -3.311 25.479
118 HG22 VAL 15 1HG2 VAL 15 16.344 -3.667 23.757
119 HG23 VAL 15 2HG2 VAL 15 14.997 -4.320 24.693
120 H GLY 16 H GLY 16 14.386 0.456 25.627
121 HA2 GLY 16 2HA GLY 16 12.771 1.727 23.628
122 HA3 GLY 16 1HA GLY 16 12.757 2.069 25.348
123 H GLY 17 H GLY 17 15.908 2.297 24.349
124 HA2 GLY 17 2HA GLY 17 15.607 5.193 23.846
125 HA3 GLY 17 1HA GLY 17 16.862 4.535 24.880
126 H LEU 18 H LEU 18 16.714 2.306 22.574
127 HA LEU 18 HA LEU 18 19.214 2.713 21.560
128 HB2 LEU 18 2HB LEU 18 16.880 1.337 20.239
129 HB3 LEU 18 1HB LEU 18 18.534 1.221 19.669
130 HG LEU 18 HG LEU 18 17.555 0.291 22.368
131 HD11 LEU 18 1HD1 LEU 18 18.331 -1.266 19.906
132 HD12 LEU 18 2HD1 LEU 18 16.702 -1.094 20.558
133 HD13 LEU 18 3HD1 LEU 18 17.932 -1.955 21.481
134 HD21 LEU 18 3HD2 LEU 18 20.240 0.007 21.026
135 HD22 LEU 18 1HD2 LEU 18 19.771 -0.725 22.560
136 HD23 LEU 18 2HD2 LEU 18 19.876 1.032 22.417
137 H GLY 19 H GLY 19 16.244 3.408 19.695
138 HA2 GLY 19 2HA GLY 19 17.870 5.026 17.874
139 HA3 GLY 19 1HA GLY 19 16.240 4.449 17.566
140 H LYS 20 H LYS 20 16.804 5.840 20.658
141 HA LYS 20 HA LYS 20 15.621 8.368 19.744
142 HB2 LYS 20 2HB LYS 20 14.632 6.560 21.921
143 HB3 LYS 20 1HB LYS 20 14.317 8.284 21.992
144 HG2 LYS 20 2HG LYS 20 13.543 6.565 19.647
145 HG3 LYS 20 1HG LYS 20 12.485 6.864 21.026
146 HD2 LYS 20 2HD LYS 20 11.828 8.464 19.453
147 HD3 LYS 20 1HD LYS 20 12.885 9.354 20.547
148 HE2 LYS 20 2HE LYS 20 14.758 8.841 18.908
149 HE3 LYS 20 1HE LYS 20 13.495 8.333 17.787
150 HZ1 LYS 20 3HZ LYS 20 12.501 10.552 18.026
151 HZ2 LYS 20 1HZ LYS 20 14.061 10.603 17.372
152 HZ3 LYS 20 2HZ LYS 20 13.814 11.020 18.998
153 H LEU 21 H LEU 21 16.058 7.476 23.084
154 HA LEU 21 HA LEU 21 17.397 9.916 23.611
155 HB2 LEU 21 2HB LEU 21 16.819 7.513 25.327
156 HB3 LEU 21 1HB LEU 21 17.683 8.910 25.934
157 HG LEU 21 HG LEU 21 15.652 10.291 25.255
158 HD11 LEU 21 1HD1 LEU 21 14.358 7.574 25.145
159 HD12 LEU 21 2HD1 LEU 21 14.628 8.639 23.764
160 HD13 LEU 21 3HD1 LEU 21 13.534 9.132 25.059
161 HD21 LEU 21 3HD2 LEU 21 14.420 9.684 27.288
162 HD22 LEU 21 1HD2 LEU 21 16.159 9.775 27.564
163 HD23 LEU 21 2HD2 LEU 21 15.373 8.204 27.407
164 H GLY 22 H GLY 22 18.538 6.879 22.619
165 HA2 GLY 22 2HA GLY 22 21.123 6.872 23.721
166 HA3 GLY 22 1HA GLY 22 20.658 6.122 22.200
167 H LYS 23 H LYS 23 19.700 8.710 21.144
168 HA LYS 23 HA LYS 23 22.309 9.976 20.636
169 HB2 LYS 23 2HB LYS 23 19.832 9.845 18.909
170 HB3 LYS 23 1HB LYS 23 21.230 10.845 18.542
171 HG2 LYS 23 2HG LYS 23 22.616 8.795 18.461
172 HG3 LYS 23 1HG LYS 23 21.150 7.840 18.697
173 HD2 LYS 23 2HD LYS 23 21.793 7.999 16.321
174 HD3 LYS 23 1HD LYS 23 20.212 8.720 16.635
175 HE2 LYS 23 2HE LYS 23 21.214 10.940 16.662
176 HE3 LYS 23 1HE LYS 23 22.810 10.238 16.407
177 HZ1 LYS 23 3HZ LYS 23 20.547 9.963 14.502
178 HZ2 LYS 23 1HZ LYS 23 22.153 9.478 14.256
179 HZ3 LYS 23 2HZ LYS 23 21.771 11.125 14.369
180 H ASP 24 H ASP 24 18.835 10.671 20.842
181 HA ASP 24 HA ASP 24 17.648 12.508 21.416
182 HB2 ASP 24 2HB ASP 24 18.696 11.927 23.625
183 HB3 ASP 24 1HB ASP 24 19.950 13.116 23.282
184 H ALA 25 H ALA 25 18.058 13.274 19.257
185 HA ALA 25 HA ALA 25 18.987 15.936 19.097
186 HB1 ALA 25 1HB ALA 25 21.207 14.887 19.259
187 HB2 ALA 25 2HB ALA 25 20.960 15.674 17.700
188 HB3 ALA 25 3HB ALA 25 20.844 13.919 17.829
189 H VAL 26 H VAL 26 18.188 12.928 17.492
190 HA VAL 26 HA VAL 26 17.722 14.167 14.929
191 HB VAL 26 HB VAL 26 18.538 11.852 15.078
192 HG11 VAL 26 1HG1 VAL 26 17.384 11.119 17.075
193 HG12 VAL 26 2HG1 VAL 26 17.021 10.036 15.731
194 HG13 VAL 26 3HG1 VAL 26 15.831 11.232 16.247
195 HG21 VAL 26 3HG2 VAL 26 17.039 10.869 13.416
196 HG22 VAL 26 1HG2 VAL 26 17.355 12.570 13.076
197 HG23 VAL 26 2HG2 VAL 26 15.820 12.085 13.795
198 H GLU 27 H GLU 27 15.936 13.566 17.784
199 HA GLU 27 HA GLU 27 13.321 13.463 16.743
200 HB2 GLU 27 2HB GLU 27 12.933 14.606 19.185
201 HB3 GLU 27 1HB GLU 27 13.089 12.882 18.896
202 HG2 GLU 27 2HG GLU 27 15.474 14.591 19.503
203 HG3 GLU 27 1HG GLU 27 14.459 13.921 20.781
204 H ASP 28 H ASP 28 15.503 15.998 16.687
205 HA ASP 28 HA ASP 28 13.826 18.244 16.903
206 HB2 ASP 28 2HB ASP 28 16.271 18.427 16.762
207 HB3 ASP 28 1HB ASP 28 16.231 17.818 15.112
208 H LEU 29 H LEU 29 14.517 16.047 14.239
209 HA LEU 29 HA LEU 29 12.930 17.479 12.320
210 HB2 LEU 29 2HB LEU 29 13.942 14.633 12.243
211 HB3 LEU 29 1HB LEU 29 13.347 15.557 10.877
212 HG LEU 29 HG LEU 29 15.848 16.190 12.449
213 HD11 LEU 29 1HD1 LEU 29 15.498 14.973 9.712
214 HD12 LEU 29 2HD1 LEU 29 16.089 14.144 11.153
215 HD13 LEU 29 3HD1 LEU 29 17.033 15.451 10.436
216 HD21 LEU 29 3HD2 LEU 29 16.294 17.773 10.626
217 HD22 LEU 29 1HD2 LEU 29 14.830 18.187 11.520
218 HD23 LEU 29 2HD2 LEU 29 14.711 17.413 9.940
219 H GLU 30 H GLU 30 12.307 15.298 14.835
220 HA GLU 30 HA GLU 30 9.935 14.135 13.612
221 HB2 GLU 30 2HB GLU 30 11.250 13.669 16.292
222 HB3 GLU 30 1HB GLU 30 9.853 12.786 15.694
223 HG2 GLU 30 2HG GLU 30 11.124 11.789 13.954
224 HG3 GLU 30 1HG GLU 30 12.499 12.849 14.268
225 H SER 31 H SER 31 10.772 16.044 16.503
226 HA SER 31 HA SER 31 8.128 16.172 17.482
227 HB2 SER 31 2HB SER 31 10.155 16.509 18.875
228 HB3 SER 31 1HB SER 31 10.412 18.061 18.079
229 HG SER 31 HG SER 31 9.065 17.733 20.209
230 H VAL 32 H VAL 32 10.069 18.873 16.135
231 HA VAL 32 HA VAL 32 7.677 20.407 15.707
232 HB VAL 32 HB VAL 32 9.102 22.134 14.757
233 HG11 VAL 32 1HG1 VAL 32 10.304 20.899 17.229
234 HG12 VAL 32 2HG1 VAL 32 8.935 22.008 17.177
235 HG13 VAL 32 3HG1 VAL 32 10.538 22.562 16.696
236 HG21 VAL 32 3HG2 VAL 32 11.520 21.840 14.570
237 HG22 VAL 32 1HG2 VAL 32 10.653 20.731 13.509
238 HG23 VAL 32 2HG2 VAL 32 11.351 20.143 15.018
239 H GLY 33 H GLY 33 9.317 18.022 13.987
240 HA2 GLY 33 2HA GLY 33 8.516 18.802 11.346
241 HA3 GLY 33 1HA GLY 33 9.056 17.199 11.839
242 H LYS 34 H LYS 34 7.158 16.860 13.934
243 HA LYS 34 HA LYS 34 5.012 16.380 14.468
244 HB2 LYS 34 2HB LYS 34 4.568 18.669 13.497
245 HB3 LYS 34 1HB LYS 34 4.162 17.873 11.985
246 HG2 LYS 34 2HG LYS 34 2.167 18.447 13.239
247 HG3 LYS 34 1HG LYS 34 2.329 16.698 13.087
248 HD2 LYS 34 2HD LYS 34 1.624 17.346 15.340
249 HD3 LYS 34 1HD LYS 34 3.206 16.568 15.357
250 HE2 LYS 34 2HE LYS 34 3.133 18.521 16.841
251 HE3 LYS 34 1HE LYS 34 4.298 18.730 15.536
252 HZ1 LYS 34 3HZ LYS 34 2.952 20.266 14.467
253 HZ2 LYS 34 1HZ LYS 34 2.756 20.670 16.103
254 HZ3 LYS 34 2HZ LYS 34 1.549 19.791 15.296
255 H GLY 35 H GLY 35 6.554 15.307 11.755
256 HA2 GLY 35 2HA GLY 35 4.432 13.699 10.644
257 HA3 GLY 35 1HA GLY 35 6.126 13.663 10.181
258 H ALA 36 H ALA 36 6.544 13.381 13.273
259 HA ALA 36 HA ALA 36 7.241 10.691 13.243
260 HB1 ALA 36 1HB ALA 36 8.194 12.301 14.801
261 HB2 ALA 36 2HB ALA 36 7.554 10.896 15.653
262 HB3 ALA 36 3HB ALA 36 6.650 12.412 15.646
263 H VAL 37 H VAL 37 4.190 12.169 13.908
264 HA VAL 37 HA VAL 37 2.909 10.247 15.450
265 HB VAL 37 HB VAL 37 1.683 11.890 13.224
266 HG11 VAL 37 1HG1 VAL 37 -0.413 11.647 14.458
267 HG12 VAL 37 2HG1 VAL 37 0.394 10.614 15.637
268 HG13 VAL 37 3HG1 VAL 37 0.223 10.075 13.967
269 HG21 VAL 37 3HG2 VAL 37 1.116 13.488 15.013
270 HG22 VAL 37 1HG2 VAL 37 2.855 13.315 14.792
271 HG23 VAL 37 2HG2 VAL 37 2.055 12.523 16.149
272 H HIS 38 H HIS 38 3.618 10.250 11.998
273 HA HIS 38 HA HIS 38 2.002 7.856 11.589
274 HB2 HIS 38 2HB HIS 38 3.704 9.396 9.620
275 HB3 HIS 38 1HB HIS 38 2.619 8.071 9.222
276 HD1 HIS 38 1HD HIS 38 2.746 11.596 9.131
277 HD2 HIS 38 2HD HIS 38 -0.191 8.823 10.111
278 HE1 HIS 38 1HE HIS 38 0.560 12.834 8.956
279 HE2 HIS 38 2HE HIS 38 -1.178 11.190 9.757
280 H ASP 39 H ASP 39 5.383 8.870 11.487
281 HA ASP 39 HA ASP 39 6.462 6.463 10.532
282 HB2 ASP 39 2HB ASP 39 7.683 8.698 12.153
283 HB3 ASP 39 1HB ASP 39 8.618 7.339 11.537
284 H VAL 40 H VAL 40 5.926 7.615 13.845
285 HA VAL 40 HA VAL 40 7.155 5.287 15.010
286 HB VAL 40 HB VAL 40 5.384 7.355 16.332
287 HG11 VAL 40 1HG1 VAL 40 6.409 6.617 18.415
288 HG12 VAL 40 2HG1 VAL 40 7.347 5.406 17.541
289 HG13 VAL 40 3HG1 VAL 40 5.591 5.276 17.615
290 HG21 VAL 40 3HG2 VAL 40 8.392 7.235 16.125
291 HG22 VAL 40 1HG2 VAL 40 7.470 8.405 17.070
292 HG23 VAL 40 2HG2 VAL 40 7.337 8.390 15.311
293 H LYS 41 H LYS 41 3.978 6.201 13.979
294 HA LYS 41 HA LYS 41 2.390 4.488 15.520
295 HB2 LYS 41 2HB LYS 41 1.592 6.342 14.024
296 HB3 LYS 41 1HB LYS 41 1.901 5.291 12.649
297 HG2 LYS 41 2HG LYS 41 -0.409 5.166 13.093
298 HG3 LYS 41 1HG LYS 41 0.288 3.657 13.681
299 HD2 LYS 41 2HD LYS 41 0.207 4.436 15.950
300 HD3 LYS 41 1HD LYS 41 -0.284 6.048 15.425
301 HE2 LYS 41 2HE LYS 41 -2.346 5.041 14.469
302 HE3 LYS 41 1HE LYS 41 -1.866 3.496 15.164
303 HZ1 LYS 41 3HZ LYS 41 -3.473 4.748 16.525
304 HZ2 LYS 41 1HZ LYS 41 -2.317 5.966 16.749
305 HZ3 LYS 41 2HZ LYS 41 -2.034 4.406 17.356
306 H ASP 42 H ASP 42 4.280 3.920 12.627
307 HA ASP 42 HA ASP 42 3.169 1.391 11.963
308 HB2 ASP 42 2HB ASP 42 4.459 2.878 10.398
309 HB3 ASP 42 1HB ASP 42 5.925 2.421 11.259
310 H VAL 43 H VAL 43 5.517 2.433 14.255
311 HA VAL 43 HA VAL 43 7.032 0.043 14.450
312 HB VAL 43 HB VAL 43 6.685 2.208 16.528
313 HG11 VAL 43 1HG1 VAL 43 8.831 0.110 16.198
314 HG12 VAL 43 2HG1 VAL 43 7.609 0.163 17.469
315 HG13 VAL 43 3HG1 VAL 43 8.847 1.415 17.384
316 HG21 VAL 43 3HG2 VAL 43 8.733 1.900 14.338
317 HG22 VAL 43 1HG2 VAL 43 8.794 3.108 15.621
318 HG23 VAL 43 2HG2 VAL 43 7.485 3.138 14.441
319 H LEU 44 H LEU 44 4.414 1.374 16.492
320 HA LEU 44 HA LEU 44 4.287 -1.088 18.002
321 HB2 LEU 44 2HB LEU 44 2.491 -0.073 19.271
322 HB3 LEU 44 1HB LEU 44 3.849 1.023 19.156
323 HG LEU 44 HG LEU 44 1.546 1.302 17.257
324 HD11 LEU 44 1HD1 LEU 44 1.700 2.394 20.067
325 HD12 LEU 44 2HD1 LEU 44 0.544 1.199 19.475
326 HD13 LEU 44 3HD1 LEU 44 0.506 2.849 18.853
327 HD21 LEU 44 3HD2 LEU 44 2.229 3.650 17.320
328 HD22 LEU 44 1HD2 LEU 44 3.576 2.609 16.861
329 HD23 LEU 44 2HD2 LEU 44 3.482 3.258 18.498
330 H ASP 45 H ASP 45 3.099 -0.044 15.075
331 HA ASP 45 HA ASP 45 0.694 -1.638 15.068
332 HB2 ASP 45 2HB ASP 45 0.673 0.226 13.585
333 HB3 ASP 45 1HB ASP 45 2.236 -0.212 12.900
334 H SER 46 H SER 46 3.786 -1.826 13.318
335 HA SER 46 HA SER 46 3.441 -4.743 13.208
336 HB2 SER 46 2HB SER 46 5.201 -2.966 11.499
337 HB3 SER 46 1HB SER 46 4.999 -4.709 11.314
338 HG SER 46 HG SER 46 2.808 -2.908 11.193
339 H VAL 47 H VAL 47 4.271 -5.314 15.154
340 HA VAL 47 HA VAL 47 6.871 -4.285 15.979
341 HB VAL 47 HB VAL 47 5.013 -4.476 17.631
342 HG11 VAL 47 1HG1 VAL 47 5.381 -7.443 17.240
343 HG12 VAL 47 2HG1 VAL 47 3.950 -6.504 16.819
344 HG13 VAL 47 3HG1 VAL 47 4.413 -6.694 18.509
345 HG21 VAL 47 3HG2 VAL 47 7.421 -6.187 18.205
346 HG22 VAL 47 1HG2 VAL 47 6.335 -5.508 19.419
347 HG23 VAL 47 2HG2 VAL 47 7.306 -4.438 18.406
348 H LEU 48 H LEU 48 5.524 -6.906 14.320
349 HA LEU 48 HA LEU 48 8.009 -8.458 14.619
350 HB2 LEU 48 2HB LEU 48 5.251 -9.425 13.845
351 HB3 LEU 48 1HB LEU 48 6.689 -10.424 13.906
352 HG LEU 48 HG LEU 48 5.435 -9.044 16.282
353 HD11 LEU 48 1HD1 LEU 48 4.036 -10.851 15.428
354 HD12 LEU 48 2HD1 LEU 48 4.774 -11.296 16.967
355 HD13 LEU 48 3HD1 LEU 48 5.418 -11.946 15.459
356 HD21 LEU 48 3HD2 LEU 48 7.708 -11.020 16.100
357 HD22 LEU 48 1HD2 LEU 48 6.988 -10.414 17.595
358 HD23 LEU 48 2HD2 LEU 48 7.846 -9.312 16.516
Start of MODEL 11
1 H1 SER 1 1HT SER 1 -7.570 7.857 21.711
2 H2 SER 1 2HT SER 1 -8.188 7.670 20.147
3 H3 SER 1 3HT SER 1 -9.179 7.368 21.479
4 HA SER 1 HA SER 1 -8.070 9.975 20.639
5 HB2 SER 1 2HB SER 1 -10.926 8.974 20.772
6 HB3 SER 1 1HB SER 1 -10.398 10.555 20.195
7 HG SER 1 HG SER 1 -9.705 9.691 18.370
8 H SER 2 H SER 2 -9.896 11.588 21.857
9 HA SER 2 HA SER 2 -10.174 12.738 23.794
10 HB2 SER 2 2HB SER 2 -10.325 9.974 25.031
11 HB3 SER 2 1HB SER 2 -10.907 11.469 25.763
12 HG SER 2 HG SER 2 -12.682 11.253 24.665
13 H LEU 3 H LEU 3 -7.595 12.584 22.983
14 HA LEU 3 HA LEU 3 -5.799 11.543 24.934
15 HB2 LEU 3 2HB LEU 3 -5.384 12.053 22.445
16 HB3 LEU 3 1HB LEU 3 -5.176 13.717 22.945
17 HG LEU 3 HG LEU 3 -3.495 11.468 24.050
18 HD11 LEU 3 1HD1 LEU 3 -3.213 11.540 21.632
19 HD12 LEU 3 2HD1 LEU 3 -1.770 12.135 22.452
20 HD13 LEU 3 3HD1 LEU 3 -2.894 13.274 21.710
21 HD21 LEU 3 3HD2 LEU 3 -3.083 14.459 23.969
22 HD22 LEU 3 1HD2 LEU 3 -1.940 13.277 24.611
23 HD23 LEU 3 2HD2 LEU 3 -3.505 13.505 25.391
24 H LEU 4 H LEU 4 -6.586 14.893 24.031
25 HA LEU 4 HA LEU 4 -6.301 15.698 26.832
26 HB2 LEU 4 2HB LEU 4 -4.134 16.118 25.675
27 HB3 LEU 4 1HB LEU 4 -4.979 17.135 24.524
28 HG LEU 4 HG LEU 4 -5.629 18.630 26.422
29 HD11 LEU 4 1HD1 LEU 4 -5.411 16.995 28.227
30 HD12 LEU 4 2HD1 LEU 4 -4.429 18.429 28.530
31 HD13 LEU 4 3HD1 LEU 4 -3.666 16.939 27.967
32 HD21 LEU 4 3HD2 LEU 4 -3.753 19.162 24.967
33 HD22 LEU 4 1HD2 LEU 4 -2.676 18.205 25.985
34 HD23 LEU 4 2HD2 LEU 4 -3.424 19.668 26.623
35 H GLU 5 H GLU 5 -6.643 17.401 23.755
36 HA GLU 5 HA GLU 5 -9.181 18.542 24.650
37 HB2 GLU 5 2HB GLU 5 -7.510 19.148 22.193
38 HB3 GLU 5 1HB GLU 5 -8.935 20.039 22.714
39 HG2 GLU 5 2HG GLU 5 -6.336 19.828 24.218
40 HG3 GLU 5 1HG GLU 5 -6.888 21.218 23.284
41 H LYS 6 H LYS 6 -9.546 15.973 24.332
42 HA LYS 6 HA LYS 6 -10.489 14.245 23.231
43 HB2 LYS 6 2HB LYS 6 -11.678 16.482 21.583
44 HB3 LYS 6 1HB LYS 6 -12.158 14.798 21.437
45 HG2 LYS 6 2HG LYS 6 -12.408 16.494 23.915
46 HG3 LYS 6 1HG LYS 6 -13.719 16.057 22.817
47 HD2 LYS 6 2HD LYS 6 -13.299 13.676 23.326
48 HD3 LYS 6 1HD LYS 6 -12.063 14.168 24.485
49 HE2 LYS 6 2HE LYS 6 -14.122 13.694 25.650
50 HE3 LYS 6 1HE LYS 6 -13.773 15.418 25.739
51 HZ1 LYS 6 3HZ LYS 6 -16.117 14.938 25.257
52 HZ2 LYS 6 1HZ LYS 6 -15.664 14.172 23.814
53 HZ3 LYS 6 2HZ LYS 6 -15.385 15.832 24.020
54 H GLY 7 H GLY 7 -10.331 16.159 20.317
55 HA2 GLY 7 2HA GLY 7 -7.914 14.929 19.347
56 HA3 GLY 7 1HA GLY 7 -9.377 14.299 18.592
57 H LEU 8 H LEU 8 -8.401 17.501 19.684
58 HA LEU 8 HA LEU 8 -9.842 19.085 18.076
59 HB2 LEU 8 2HB LEU 8 -8.365 19.850 19.875
60 HB3 LEU 8 1HB LEU 8 -6.971 19.563 18.852
61 HG LEU 8 HG LEU 8 -7.825 21.286 17.273
62 HD11 LEU 8 1HD1 LEU 8 -9.856 21.775 19.452
63 HD12 LEU 8 2HD1 LEU 8 -10.189 21.190 17.822
64 HD13 LEU 8 3HD1 LEU 8 -9.574 22.826 18.063
65 HD21 LEU 8 3HD2 LEU 8 -6.139 21.835 18.942
66 HD22 LEU 8 1HD2 LEU 8 -7.402 22.194 20.118
67 HD23 LEU 8 2HD2 LEU 8 -7.226 23.197 18.678
68 H ASP 9 H ASP 9 -6.451 18.333 17.196
69 HA ASP 9 HA ASP 9 -7.183 18.957 14.428
70 HB2 ASP 9 2HB ASP 9 -5.252 20.160 15.575
71 HB3 ASP 9 1HB ASP 9 -4.380 18.632 15.488
72 H GLY 10 H GLY 10 -6.360 16.381 16.498
73 HA2 GLY 10 2HA GLY 10 -5.024 14.646 14.718
74 HA3 GLY 10 1HA GLY 10 -5.860 14.163 16.187
75 H ALA 11 H ALA 11 -8.324 15.530 14.930
76 HA ALA 11 HA ALA 11 -9.537 13.204 13.918
77 HB1 ALA 11 1HB ALA 11 -10.792 15.030 14.962
78 HB2 ALA 11 2HB ALA 11 -11.424 14.635 13.363
79 HB3 ALA 11 3HB ALA 11 -10.420 16.067 13.585
80 H LYS 12 H LYS 12 -7.713 15.730 12.348
81 HA LYS 12 HA LYS 12 -8.482 14.635 9.718
82 HB2 LYS 12 2HB LYS 12 -7.160 17.301 10.229
83 HB3 LYS 12 1HB LYS 12 -7.829 16.721 8.712
84 HG2 LYS 12 2HG LYS 12 -9.559 18.021 9.304
85 HG3 LYS 12 1HG LYS 12 -10.030 16.615 10.261
86 HD2 LYS 12 2HD LYS 12 -10.086 18.786 11.504
87 HD3 LYS 12 1HD LYS 12 -9.056 17.553 12.237
88 HE2 LYS 12 2HE LYS 12 -7.088 18.583 11.240
89 HE3 LYS 12 1HE LYS 12 -8.102 19.791 10.455
90 HZ1 LYS 12 3HZ LYS 12 -8.581 20.811 12.462
91 HZ2 LYS 12 1HZ LYS 12 -6.934 20.421 12.610
92 HZ3 LYS 12 2HZ LYS 12 -8.111 19.473 13.385
93 H LYS 13 H LYS 13 -6.414 13.648 11.664
94 HA LYS 13 HA LYS 13 -3.876 14.386 10.577
95 HB2 LYS 13 2HB LYS 13 -4.789 12.967 12.848
96 HB3 LYS 13 1HB LYS 13 -3.715 11.888 11.967
97 HG2 LYS 13 2HG LYS 13 -2.486 13.160 13.621
98 HG3 LYS 13 1HG LYS 13 -1.971 13.609 11.993
99 HD2 LYS 13 2HD LYS 13 -3.536 15.557 12.131
100 HD3 LYS 13 1HD LYS 13 -3.812 15.141 13.824
101 HE2 LYS 13 2HE LYS 13 -2.153 16.852 13.764
102 HE3 LYS 13 1HE LYS 13 -1.349 15.342 14.192
103 HZ1 LYS 13 3HZ LYS 13 -0.854 15.170 11.705
104 HZ2 LYS 13 1HZ LYS 13 0.035 16.303 12.604
105 HZ3 LYS 13 2HZ LYS 13 -1.256 16.811 11.635
106 H ALA 14 H ALA 14 -6.286 12.230 9.573
107 HA ALA 14 HA ALA 14 -4.572 10.436 8.128
108 HB1 ALA 14 1HB ALA 14 -6.811 9.743 8.821
109 HB2 ALA 14 2HB ALA 14 -6.626 9.646 7.069
110 HB3 ALA 14 3HB ALA 14 -7.518 10.986 7.789
111 H VAL 15 H VAL 15 -3.206 11.747 6.956
112 HA VAL 15 HA VAL 15 -2.433 13.056 5.283
113 HB VAL 15 HB VAL 15 -5.119 12.628 3.964
114 HG11 VAL 15 1HG1 VAL 15 -3.934 13.099 1.880
115 HG12 VAL 15 2HG1 VAL 15 -2.450 13.401 2.784
116 HG13 VAL 15 3HG1 VAL 15 -3.839 14.468 2.988
117 HG21 VAL 15 3HG2 VAL 15 -4.041 10.797 2.756
118 HG22 VAL 15 1HG2 VAL 15 -4.063 10.502 4.493
119 HG23 VAL 15 2HG2 VAL 15 -2.575 11.032 3.708
120 H GLY 16 H GLY 16 -2.420 14.785 6.789
121 HA2 GLY 16 2HA GLY 16 -4.640 16.680 6.652
122 HA3 GLY 16 1HA GLY 16 -3.311 16.723 7.799
123 H GLY 17 H GLY 17 -2.492 16.192 4.525
124 HA2 GLY 17 2HA GLY 17 -1.151 18.770 4.456
125 HA3 GLY 17 1HA GLY 17 -0.911 17.438 3.335
126 H LEU 18 H LEU 18 -3.757 19.343 4.334
127 HA LEU 18 HA LEU 18 -4.380 19.709 1.496
128 HB2 LEU 18 2HB LEU 18 -6.612 20.369 2.187
129 HB3 LEU 18 1HB LEU 18 -6.194 18.807 2.852
130 HG LEU 18 HG LEU 18 -5.980 21.328 4.491
131 HD11 LEU 18 1HD1 LEU 18 -8.204 20.792 5.383
132 HD12 LEU 18 2HD1 LEU 18 -8.375 19.524 4.171
133 HD13 LEU 18 3HD1 LEU 18 -8.260 21.210 3.672
134 HD21 LEU 18 3HD2 LEU 18 -6.294 18.412 5.203
135 HD22 LEU 18 1HD2 LEU 18 -6.259 19.745 6.358
136 HD23 LEU 18 2HD2 LEU 18 -4.832 19.382 5.385
137 H GLY 19 H GLY 19 -4.210 21.575 4.498
138 HA2 GLY 19 2HA GLY 19 -3.046 23.806 3.015
139 HA3 GLY 19 1HA GLY 19 -4.522 24.123 3.925
140 H LYS 20 H LYS 20 -1.637 22.176 4.559
141 HA LYS 20 HA LYS 20 -1.801 22.671 7.343
142 HB2 LYS 20 2HB LYS 20 0.321 21.403 7.458
143 HB3 LYS 20 1HB LYS 20 -0.936 20.581 6.550
144 HG2 LYS 20 2HG LYS 20 0.139 21.377 4.454
145 HG3 LYS 20 1HG LYS 20 1.454 22.030 5.438
146 HD2 LYS 20 2HD LYS 20 1.806 19.751 6.369
147 HD3 LYS 20 1HD LYS 20 0.598 19.145 5.237
148 HE2 LYS 20 2HE LYS 20 1.964 19.864 3.361
149 HE3 LYS 20 1HE LYS 20 3.148 20.557 4.468
150 HZ1 LYS 20 3HZ LYS 20 3.415 18.268 5.401
151 HZ2 LYS 20 1HZ LYS 20 3.965 18.457 3.804
152 HZ3 LYS 20 2HZ LYS 20 2.482 17.689 4.104
153 H LEU 21 H LEU 21 -0.241 24.339 4.779
154 HA LEU 21 HA LEU 21 1.684 25.675 6.452
155 HB2 LEU 21 2HB LEU 21 0.777 26.259 3.632
156 HB3 LEU 21 1HB LEU 21 2.109 27.059 4.442
157 HG LEU 21 HG LEU 21 1.978 24.125 3.743
158 HD11 LEU 21 1HD1 LEU 21 3.623 26.371 2.592
159 HD12 LEU 21 2HD1 LEU 21 2.276 25.555 1.797
160 HD13 LEU 21 3HD1 LEU 21 3.757 24.667 2.160
161 HD21 LEU 21 3HD2 LEU 21 3.226 24.493 5.800
162 HD22 LEU 21 1HD2 LEU 21 4.183 25.748 5.013
163 HD23 LEU 21 2HD2 LEU 21 4.318 24.072 4.481
164 H GLY 22 H GLY 22 -1.616 26.002 5.804
165 HA2 GLY 22 2HA GLY 22 -2.005 28.772 5.765
166 HA3 GLY 22 1HA GLY 22 -3.186 27.591 6.310
167 H LYS 23 H LYS 23 -2.573 26.658 8.591
168 HA LYS 23 HA LYS 23 -2.192 28.989 10.299
169 HB2 LYS 23 2HB LYS 23 -3.044 27.628 12.115
170 HB3 LYS 23 1HB LYS 23 -4.126 27.524 10.736
171 HG2 LYS 23 2HG LYS 23 -3.273 25.336 10.178
172 HG3 LYS 23 1HG LYS 23 -2.073 25.445 11.470
173 HD2 LYS 23 2HD LYS 23 -3.867 25.578 13.126
174 HD3 LYS 23 1HD LYS 23 -5.068 25.474 11.838
175 HE2 LYS 23 2HE LYS 23 -4.191 23.254 11.233
176 HE3 LYS 23 1HE LYS 23 -3.042 23.361 12.566
177 HZ1 LYS 23 3HZ LYS 23 -4.859 23.442 14.122
178 HZ2 LYS 23 1HZ LYS 23 -5.035 22.071 13.132
179 HZ3 LYS 23 2HZ LYS 23 -5.993 23.449 12.866
180 H ASP 24 H ASP 24 -0.352 26.591 8.979
181 HA ASP 24 HA ASP 24 1.863 26.141 9.122
182 HB2 ASP 24 2HB ASP 24 2.138 28.508 9.800
183 HB3 ASP 24 1HB ASP 24 1.941 28.025 11.482
184 H ALA 25 H ALA 25 0.163 26.151 12.214
185 HA ALA 25 HA ALA 25 1.905 24.285 13.476
186 HB1 ALA 25 1HB ALA 25 0.267 24.255 15.264
187 HB2 ALA 25 2HB ALA 25 -0.901 25.081 14.234
188 HB3 ALA 25 3HB ALA 25 0.573 25.910 14.736
189 H VAL 26 H VAL 26 1.545 22.992 11.264
190 HA VAL 26 HA VAL 26 -0.077 20.685 12.106
191 HB VAL 26 HB VAL 26 0.274 21.555 9.225
192 HG11 VAL 26 1HG1 VAL 26 -1.319 19.750 8.736
193 HG12 VAL 26 2HG1 VAL 26 -1.318 19.297 10.440
194 HG13 VAL 26 3HG1 VAL 26 0.157 19.142 9.486
195 HG21 VAL 26 3HG2 VAL 26 -2.179 21.662 10.980
196 HG22 VAL 26 1HG2 VAL 26 -2.144 22.000 9.250
197 HG23 VAL 26 2HG2 VAL 26 -1.270 23.044 10.370
198 H GLU 27 H GLU 27 2.439 21.740 9.813
199 HA GLU 27 HA GLU 27 3.841 19.295 9.740
200 HB2 GLU 27 2HB GLU 27 4.642 22.138 9.144
201 HB3 GLU 27 1HB GLU 27 5.800 20.819 9.039
202 HG2 GLU 27 2HG GLU 27 3.211 20.913 7.513
203 HG3 GLU 27 1HG GLU 27 4.759 21.472 6.879
204 H ASP 28 H ASP 28 3.699 21.832 12.047
205 HA ASP 28 HA ASP 28 6.081 21.623 13.427
206 HB2 ASP 28 2HB ASP 28 4.534 23.328 14.049
207 HB3 ASP 28 1HB ASP 28 3.272 22.152 14.397
208 H LEU 29 H LEU 29 3.066 19.922 14.243
209 HA LEU 29 HA LEU 29 4.141 18.321 16.262
210 HB2 LEU 29 2HB LEU 29 1.739 18.755 15.925
211 HB3 LEU 29 1HB LEU 29 1.768 17.752 14.488
212 HG LEU 29 HG LEU 29 2.373 15.801 15.893
213 HD11 LEU 29 1HD1 LEU 29 1.925 17.721 18.176
214 HD12 LEU 29 2HD1 LEU 29 3.455 16.964 17.733
215 HD13 LEU 29 3HD1 LEU 29 2.122 15.975 18.327
216 HD21 LEU 29 3HD2 LEU 29 -0.136 17.256 16.721
217 HD22 LEU 29 1HD2 LEU 29 0.167 15.529 16.913
218 HD23 LEU 29 2HD2 LEU 29 0.048 16.228 15.299
219 H GLU 30 H GLU 30 4.084 17.897 12.813
220 HA GLU 30 HA GLU 30 4.792 15.118 12.871
221 HB2 GLU 30 2HB GLU 30 5.191 17.017 10.562
222 HB3 GLU 30 1HB GLU 30 4.970 15.274 10.503
223 HG2 GLU 30 2HG GLU 30 2.908 17.349 11.194
224 HG3 GLU 30 1HG GLU 30 2.965 16.329 9.758
225 H SER 31 H SER 31 6.521 18.134 12.151
226 HA SER 31 HA SER 31 8.979 16.872 11.544
227 HB2 SER 31 2HB SER 31 8.479 19.752 12.322
228 HB3 SER 31 1HB SER 31 9.904 19.125 11.492
229 HG SER 31 HG SER 31 7.261 19.386 10.541
230 H VAL 32 H VAL 32 7.653 18.145 14.558
231 HA VAL 32 HA VAL 32 10.074 18.337 15.980
232 HB VAL 32 HB VAL 32 8.739 18.175 18.051
233 HG11 VAL 32 1HG1 VAL 32 7.531 19.940 15.929
234 HG12 VAL 32 2HG1 VAL 32 8.946 20.316 16.911
235 HG13 VAL 32 3HG1 VAL 32 7.361 20.162 17.670
236 HG21 VAL 32 3HG2 VAL 32 7.114 16.503 17.321
237 HG22 VAL 32 1HG2 VAL 32 6.417 17.669 16.196
238 HG23 VAL 32 2HG2 VAL 32 6.310 17.949 17.935
239 H GLY 33 H GLY 33 8.257 15.584 15.011
240 HA2 GLY 33 2HA GLY 33 10.032 13.892 16.660
241 HA3 GLY 33 1HA GLY 33 8.410 13.413 16.171
242 H LYS 34 H LYS 34 10.169 15.142 13.820
243 HA LYS 34 HA LYS 34 10.829 14.589 11.715
244 HB2 LYS 34 2HB LYS 34 12.154 12.558 13.457
245 HB3 LYS 34 1HB LYS 34 12.248 12.342 11.714
246 HG2 LYS 34 2HG LYS 34 14.200 13.510 12.603
247 HG3 LYS 34 1HG LYS 34 13.297 14.513 11.471
248 HD2 LYS 34 2HD LYS 34 12.254 15.690 13.349
249 HD3 LYS 34 1HD LYS 34 13.156 14.680 14.481
250 HE2 LYS 34 2HE LYS 34 15.251 15.565 13.664
251 HE3 LYS 34 1HE LYS 34 14.410 16.493 12.425
252 HZ1 LYS 34 3HZ LYS 34 15.081 17.804 14.396
253 HZ2 LYS 34 1HZ LYS 34 14.013 16.885 15.342
254 HZ3 LYS 34 2HZ LYS 34 13.415 17.860 14.088
255 H GLY 35 H GLY 35 8.227 13.925 12.224
256 HA2 GLY 35 2HA GLY 35 6.684 12.768 10.800
257 HA3 GLY 35 1HA GLY 35 7.863 11.466 10.644
258 H ALA 36 H ALA 36 6.456 13.181 13.418
259 HA ALA 36 HA ALA 36 6.606 11.080 15.207
260 HB1 ALA 36 1HB ALA 36 6.231 13.399 15.870
261 HB2 ALA 36 2HB ALA 36 5.036 12.323 16.594
262 HB3 ALA 36 3HB ALA 36 4.597 13.326 15.212
263 H VAL 37 H VAL 37 3.609 12.168 13.586
264 HA VAL 37 HA VAL 37 2.030 10.050 14.533
265 HB VAL 37 HB VAL 37 1.606 11.659 12.008
266 HG11 VAL 37 1HG1 VAL 37 -0.336 10.121 13.729
267 HG12 VAL 37 2HG1 VAL 37 0.183 9.698 12.098
268 HG13 VAL 37 3HG1 VAL 37 -0.773 11.154 12.369
269 HG21 VAL 37 3HG2 VAL 37 1.910 13.128 13.921
270 HG22 VAL 37 1HG2 VAL 37 0.708 12.215 14.837
271 HG23 VAL 37 2HG2 VAL 37 0.224 13.131 13.410
272 H HIS 38 H HIS 38 4.113 10.318 11.755
273 HA HIS 38 HA HIS 38 3.071 8.032 10.380
274 HB2 HIS 38 2HB HIS 38 4.157 9.881 9.179
275 HB3 HIS 38 1HB HIS 38 5.669 9.546 10.009
276 HD1 HIS 38 1HD HIS 38 3.890 8.831 6.959
277 HD2 HIS 38 2HD HIS 38 6.716 6.848 9.280
278 HE1 HIS 38 1HE HIS 38 4.901 7.083 5.459
279 HE2 HIS 38 2HE HIS 38 6.781 6.085 6.811
280 H ASP 39 H ASP 39 6.285 8.625 11.798
281 HA ASP 39 HA ASP 39 7.099 5.949 11.467
282 HB2 ASP 39 2HB ASP 39 8.253 8.230 13.065
283 HB3 ASP 39 1HB ASP 39 9.040 6.659 12.931
284 H VAL 40 H VAL 40 6.062 7.725 14.379
285 HA VAL 40 HA VAL 40 6.642 5.717 16.230
286 HB VAL 40 HB VAL 40 4.482 7.828 16.337
287 HG11 VAL 40 1HG1 VAL 40 4.458 7.443 18.763
288 HG12 VAL 40 2HG1 VAL 40 5.560 6.084 18.550
289 HG13 VAL 40 3HG1 VAL 40 3.935 6.015 17.867
290 HG21 VAL 40 3HG2 VAL 40 7.243 7.723 17.546
291 HG22 VAL 40 1HG2 VAL 40 6.066 9.016 17.775
292 HG23 VAL 40 2HG2 VAL 40 6.748 8.717 16.177
293 H LYS 41 H LYS 41 3.644 6.296 14.401
294 HA LYS 41 HA LYS 41 2.265 4.132 15.679
295 HB2 LYS 41 2HB LYS 41 1.246 6.241 14.611
296 HB3 LYS 41 1HB LYS 41 1.452 5.409 13.076
297 HG2 LYS 41 2HG LYS 41 0.034 3.587 13.862
298 HG3 LYS 41 1HG LYS 41 -0.169 4.408 15.411
299 HD2 LYS 41 2HD LYS 41 -2.104 4.917 14.163
300 HD3 LYS 41 1HD LYS 41 -1.100 6.365 14.087
301 HE2 LYS 41 2HE LYS 41 -1.953 5.978 11.900
302 HE3 LYS 41 1HE LYS 41 -0.245 5.542 11.877
303 HZ1 LYS 41 3HZ LYS 41 -0.900 3.208 12.141
304 HZ2 LYS 41 1HZ LYS 41 -1.547 3.885 10.728
305 HZ3 LYS 41 2HZ LYS 41 -2.533 3.658 12.088
306 H ASP 42 H ASP 42 4.289 4.480 12.899
307 HA ASP 42 HA ASP 42 3.422 2.093 11.568
308 HB2 ASP 42 2HB ASP 42 4.422 4.006 10.356
309 HB3 ASP 42 1HB ASP 42 5.953 3.702 11.167
310 H VAL 43 H VAL 43 6.059 2.949 13.758
311 HA VAL 43 HA VAL 43 7.471 0.511 13.522
312 HB VAL 43 HB VAL 43 7.447 2.506 15.795
313 HG11 VAL 43 1HG1 VAL 43 9.375 0.257 15.223
314 HG12 VAL 43 2HG1 VAL 43 8.240 0.336 16.570
315 HG13 VAL 43 3HG1 VAL 43 9.571 1.488 16.473
316 HG21 VAL 43 3HG2 VAL 43 9.343 2.131 13.478
317 HG22 VAL 43 1HG2 VAL 43 9.561 3.275 14.805
318 HG23 VAL 43 2HG2 VAL 43 8.206 3.462 13.692
319 H LEU 44 H LEU 44 4.848 1.540 15.662
320 HA LEU 44 HA LEU 44 4.959 -1.060 16.998
321 HB2 LEU 44 2HB LEU 44 3.242 -0.052 18.541
322 HB3 LEU 44 1HB LEU 44 4.828 0.681 18.575
323 HG LEU 44 HG LEU 44 3.848 2.459 16.997
324 HD11 LEU 44 1HD1 LEU 44 1.795 1.282 16.407
325 HD12 LEU 44 2HD1 LEU 44 1.447 2.825 17.188
326 HD13 LEU 44 3HD1 LEU 44 1.281 1.321 18.095
327 HD21 LEU 44 3HD2 LEU 44 4.453 2.878 19.312
328 HD22 LEU 44 1HD2 LEU 44 2.896 2.245 19.847
329 HD23 LEU 44 2HD2 LEU 44 2.964 3.725 18.890
330 H ASP 45 H ASP 45 3.963 -0.598 14.217
331 HA ASP 45 HA ASP 45 1.132 -0.848 14.251
332 HB2 ASP 45 2HB ASP 45 2.384 -0.064 12.264
333 HB3 ASP 45 1HB ASP 45 3.062 -1.679 12.071
334 H SER 46 H SER 46 3.753 -3.229 13.868
335 HA SER 46 HA SER 46 1.824 -5.389 13.811
336 HB2 SER 46 2HB SER 46 3.909 -5.360 12.387
337 HB3 SER 46 1HB SER 46 4.838 -5.620 13.860
338 HG SER 46 HG SER 46 2.823 -7.330 12.814
339 H VAL 47 H VAL 47 1.137 -4.572 16.029
340 HA VAL 47 HA VAL 47 2.566 -6.142 18.072
341 HB VAL 47 HB VAL 47 0.363 -4.087 18.449
342 HG11 VAL 47 1HG1 VAL 47 0.333 -5.826 20.170
343 HG12 VAL 47 2HG1 VAL 47 0.847 -4.275 20.834
344 HG13 VAL 47 3HG1 VAL 47 2.039 -5.532 20.502
345 HG21 VAL 47 3HG2 VAL 47 2.126 -2.699 19.461
346 HG22 VAL 47 1HG2 VAL 47 2.433 -3.033 17.756
347 HG23 VAL 47 2HG2 VAL 47 3.323 -3.908 19.001
348 H LEU 48 H LEU 48 -0.262 -5.841 16.154
349 HA LEU 48 HA LEU 48 -1.711 -7.896 17.611
350 HB2 LEU 48 2HB LEU 48 -2.444 -6.234 15.197
351 HB3 LEU 48 1HB LEU 48 -3.475 -7.481 15.867
352 HG LEU 48 HG LEU 48 -3.422 -6.149 18.046
353 HD11 LEU 48 1HD1 LEU 48 -1.526 -4.715 17.560
354 HD12 LEU 48 2HD1 LEU 48 -2.977 -3.751 17.829
355 HD13 LEU 48 3HD1 LEU 48 -2.385 -4.015 16.189
356 HD21 LEU 48 3HD2 LEU 48 -4.721 -4.916 15.623
357 HD22 LEU 48 1HD2 LEU 48 -5.194 -4.655 17.301
358 HD23 LEU 48 2HD2 LEU 48 -5.367 -6.252 16.574
Start of MODEL 12
1 H1 SER 1 1HT SER 1 -15.889 15.025 11.635
2 H2 SER 1 2HT SER 1 -17.100 14.059 10.946
3 H3 SER 1 3HT SER 1 -15.771 13.340 11.698
4 HA SER 1 HA SER 1 -17.770 15.014 13.069
5 HB2 SER 1 2HB SER 1 -18.429 12.784 14.095
6 HB3 SER 1 1HB SER 1 -18.865 12.999 12.400
7 HG SER 1 HG SER 1 -17.819 11.202 12.108
8 H SER 2 H SER 2 -17.633 14.598 15.467
9 HA SER 2 HA SER 2 -14.862 14.906 16.253
10 HB2 SER 2 2HB SER 2 -17.326 14.958 18.006
11 HB3 SER 2 1HB SER 2 -15.734 15.618 18.381
12 HG SER 2 HG SER 2 -17.750 16.852 17.225
13 H LEU 3 H LEU 3 -13.909 12.909 16.111
14 HA LEU 3 HA LEU 3 -15.099 10.585 17.339
15 HB2 LEU 3 2HB LEU 3 -12.344 10.998 16.171
16 HB3 LEU 3 1HB LEU 3 -13.021 9.453 16.657
17 HG LEU 3 HG LEU 3 -14.060 11.205 14.427
18 HD11 LEU 3 1HD1 LEU 3 -11.917 10.144 13.911
19 HD12 LEU 3 2HD1 LEU 3 -13.229 9.455 12.954
20 HD13 LEU 3 3HD1 LEU 3 -12.592 8.573 14.342
21 HD21 LEU 3 3HD2 LEU 3 -14.920 8.454 15.315
22 HD22 LEU 3 1HD2 LEU 3 -15.529 9.326 13.909
23 HD23 LEU 3 2HD2 LEU 3 -15.842 9.941 15.533
24 H LEU 4 H LEU 4 -13.032 13.126 18.272
25 HA LEU 4 HA LEU 4 -12.848 12.299 20.976
26 HB2 LEU 4 2HB LEU 4 -11.133 10.827 19.747
27 HB3 LEU 4 1HB LEU 4 -10.228 12.303 19.472
28 HG LEU 4 HG LEU 4 -10.119 12.609 21.958
29 HD11 LEU 4 1HD1 LEU 4 -12.038 11.253 22.582
30 HD12 LEU 4 2HD1 LEU 4 -10.575 10.660 23.368
31 HD13 LEU 4 3HD1 LEU 4 -11.234 9.807 21.970
32 HD21 LEU 4 3HD2 LEU 4 -8.260 11.672 20.680
33 HD22 LEU 4 1HD2 LEU 4 -8.945 10.056 20.864
34 HD23 LEU 4 2HD2 LEU 4 -8.372 10.939 22.278
35 H GLU 5 H GLU 5 -11.349 13.932 22.180
36 HA GLU 5 HA GLU 5 -11.860 16.565 21.488
37 HB2 GLU 5 2HB GLU 5 -9.439 15.534 22.988
38 HB3 GLU 5 1HB GLU 5 -9.994 17.201 22.974
39 HG2 GLU 5 2HG GLU 5 -10.895 16.516 24.938
40 HG3 GLU 5 1HG GLU 5 -12.221 16.106 23.854
41 H LYS 6 H LYS 6 -8.813 14.776 20.967
42 HA LYS 6 HA LYS 6 -7.925 16.621 18.969
43 HB2 LYS 6 2HB LYS 6 -6.329 15.244 20.249
44 HB3 LYS 6 1HB LYS 6 -7.003 13.792 19.523
45 HG2 LYS 6 2HG LYS 6 -6.034 14.187 17.485
46 HG3 LYS 6 1HG LYS 6 -5.966 15.932 17.737
47 HD2 LYS 6 2HD LYS 6 -4.270 13.914 19.201
48 HD3 LYS 6 1HD LYS 6 -3.741 14.856 17.806
49 HE2 LYS 6 2HE LYS 6 -4.653 15.975 20.457
50 HE3 LYS 6 1HE LYS 6 -2.984 15.871 19.896
51 HZ1 LYS 6 3HZ LYS 6 -3.346 17.483 18.273
52 HZ2 LYS 6 1HZ LYS 6 -4.189 18.082 19.619
53 HZ3 LYS 6 2HZ LYS 6 -5.035 17.342 18.356
54 H GLY 7 H GLY 7 -9.107 16.884 17.263
55 HA2 GLY 7 2HA GLY 7 -9.597 15.484 15.108
56 HA3 GLY 7 1HA GLY 7 -10.685 14.645 16.213
57 H LEU 8 H LEU 8 -11.783 16.559 17.712
58 HA LEU 8 HA LEU 8 -13.444 18.007 15.869
59 HB2 LEU 8 2HB LEU 8 -14.545 18.912 17.893
60 HB3 LEU 8 1HB LEU 8 -14.482 17.164 17.864
61 HG LEU 8 HG LEU 8 -12.378 17.477 19.384
62 HD11 LEU 8 1HD1 LEU 8 -12.525 19.435 20.842
63 HD12 LEU 8 2HD1 LEU 8 -13.823 20.083 19.838
64 HD13 LEU 8 3HD1 LEU 8 -12.201 19.894 19.170
65 HD21 LEU 8 3HD2 LEU 8 -15.169 17.987 20.396
66 HD22 LEU 8 1HD2 LEU 8 -13.808 17.404 21.354
67 HD23 LEU 8 2HD2 LEU 8 -14.463 16.408 20.054
68 H ASP 9 H ASP 9 -10.639 18.630 17.776
69 HA ASP 9 HA ASP 9 -10.688 21.485 17.469
70 HB2 ASP 9 2HB ASP 9 -8.511 21.465 18.480
71 HB3 ASP 9 1HB ASP 9 -9.475 20.254 19.318
72 H GLY 10 H GLY 10 -9.587 18.761 15.666
73 HA2 GLY 10 2HA GLY 10 -7.843 20.240 13.920
74 HA3 GLY 10 1HA GLY 10 -8.342 18.565 13.729
75 H ALA 11 H ALA 11 -11.187 19.227 13.894
76 HA ALA 11 HA ALA 11 -11.767 19.499 11.186
77 HB1 ALA 11 1HB ALA 11 -13.285 18.517 12.873
78 HB2 ALA 11 2HB ALA 11 -14.077 19.694 11.829
79 HB3 ALA 11 3HB ALA 11 -13.624 20.141 13.473
80 H LYS 12 H LYS 12 -11.810 21.947 13.750
81 HA LYS 12 HA LYS 12 -12.617 24.010 11.880
82 HB2 LYS 12 2HB LYS 12 -11.895 24.115 14.811
83 HB3 LYS 12 1HB LYS 12 -12.350 25.526 13.870
84 HG2 LYS 12 2HG LYS 12 -14.299 24.919 14.988
85 HG3 LYS 12 1HG LYS 12 -14.516 24.278 13.361
86 HD2 LYS 12 2HD LYS 12 -13.948 22.060 14.093
87 HD3 LYS 12 1HD LYS 12 -13.512 22.652 15.696
88 HE2 LYS 12 2HE LYS 12 -16.260 22.665 14.454
89 HE3 LYS 12 1HE LYS 12 -15.698 21.614 15.755
90 HZ1 LYS 12 3HZ LYS 12 -15.261 23.750 17.023
91 HZ2 LYS 12 1HZ LYS 12 -16.890 23.324 16.796
92 HZ3 LYS 12 2HZ LYS 12 -16.188 24.530 15.833
93 H LYS 13 H LYS 13 -9.777 22.509 12.556
94 HA LYS 13 HA LYS 13 -8.131 24.921 12.324
95 HB2 LYS 13 2HB LYS 13 -7.630 23.438 14.190
96 HB3 LYS 13 1HB LYS 13 -7.420 22.087 13.091
97 HG2 LYS 13 2HG LYS 13 -5.702 24.419 12.580
98 HG3 LYS 13 1HG LYS 13 -5.406 23.555 14.089
99 HD2 LYS 13 2HD LYS 13 -5.362 21.434 12.704
100 HD3 LYS 13 1HD LYS 13 -5.318 22.476 11.281
101 HE2 LYS 13 2HE LYS 13 -3.272 23.506 12.057
102 HE3 LYS 13 1HE LYS 13 -3.330 22.562 13.543
103 HZ1 LYS 13 3HZ LYS 13 -2.820 21.601 10.790
104 HZ2 LYS 13 1HZ LYS 13 -3.244 20.546 12.055
105 HZ3 LYS 13 2HZ LYS 13 -1.827 21.462 12.167
106 H ALA 14 H ALA 14 -8.807 21.838 10.781
107 HA ALA 14 HA ALA 14 -6.803 21.939 8.802
108 HB1 ALA 14 1HB ALA 14 -7.982 19.883 9.378
109 HB2 ALA 14 2HB ALA 14 -8.118 20.228 7.653
110 HB3 ALA 14 3HB ALA 14 -9.479 20.550 8.728
111 H VAL 15 H VAL 15 -10.013 23.332 8.989
112 HA VAL 15 HA VAL 15 -10.210 24.083 6.259
113 HB VAL 15 HB VAL 15 -12.169 23.964 7.753
114 HG11 VAL 15 1HG1 VAL 15 -11.205 24.854 9.787
115 HG12 VAL 15 2HG1 VAL 15 -12.626 25.794 9.331
116 HG13 VAL 15 3HG1 VAL 15 -11.011 26.436 9.030
117 HG21 VAL 15 3HG2 VAL 15 -12.359 25.249 5.717
118 HG22 VAL 15 1HG2 VAL 15 -11.704 26.675 6.520
119 HG23 VAL 15 2HG2 VAL 15 -13.274 26.034 7.004
120 H GLY 16 H GLY 16 -8.515 25.390 8.968
121 HA2 GLY 16 2HA GLY 16 -8.101 27.992 7.749
122 HA3 GLY 16 1HA GLY 16 -7.406 27.419 9.259
123 H GLY 17 H GLY 17 -6.548 24.905 7.833
124 HA2 GLY 17 2HA GLY 17 -3.941 25.917 7.101
125 HA3 GLY 17 1HA GLY 17 -4.406 24.230 7.243
126 H LEU 18 H LEU 18 -6.517 26.091 5.338
127 HA LEU 18 HA LEU 18 -5.633 24.755 2.931
128 HB2 LEU 18 2HB LEU 18 -7.864 26.745 3.362
129 HB3 LEU 18 1HB LEU 18 -7.578 25.845 1.885
130 HG LEU 18 HG LEU 18 -8.331 24.647 4.554
131 HD11 LEU 18 1HD1 LEU 18 -9.918 24.986 2.014
132 HD12 LEU 18 2HD1 LEU 18 -10.157 25.885 3.513
133 HD13 LEU 18 3HD1 LEU 18 -10.459 24.147 3.467
134 HD21 LEU 18 3HD2 LEU 18 -6.919 23.145 3.264
135 HD22 LEU 18 1HD2 LEU 18 -7.947 23.366 1.849
136 HD23 LEU 18 2HD2 LEU 18 -8.583 22.561 3.284
137 H GLY 19 H GLY 19 -5.219 27.800 4.458
138 HA2 GLY 19 2HA GLY 19 -3.135 28.775 3.114
139 HA3 GLY 19 1HA GLY 19 -4.445 29.159 2.005
140 H LYS 20 H LYS 20 -3.695 29.431 5.479
141 HA LYS 20 HA LYS 20 -4.671 32.200 5.378
142 HB2 LYS 20 2HB LYS 20 -5.350 30.150 7.497
143 HB3 LYS 20 1HB LYS 20 -5.692 31.869 7.633
144 HG2 LYS 20 2HG LYS 20 -6.808 30.025 5.529
145 HG3 LYS 20 1HG LYS 20 -7.663 30.588 6.966
146 HD2 LYS 20 2HD LYS 20 -7.578 32.863 6.195
147 HD3 LYS 20 1HD LYS 20 -6.536 32.411 4.844
148 HE2 LYS 20 2HE LYS 20 -8.794 32.717 4.053
149 HE3 LYS 20 1HE LYS 20 -8.361 31.012 3.948
150 HZ1 LYS 20 3HZ LYS 20 -10.006 32.262 6.086
151 HZ2 LYS 20 1HZ LYS 20 -9.588 30.618 6.003
152 HZ3 LYS 20 2HZ LYS 20 -10.588 31.301 4.813
153 H LEU 21 H LEU 21 -3.286 33.604 6.230
154 HA LEU 21 HA LEU 21 -0.765 32.778 7.206
155 HB2 LEU 21 2HB LEU 21 -2.113 35.476 7.361
156 HB3 LEU 21 1HB LEU 21 -0.421 35.179 7.708
157 HG LEU 21 HG LEU 21 -1.769 34.823 5.029
158 HD11 LEU 21 1HD1 LEU 21 -1.456 37.161 5.650
159 HD12 LEU 21 2HD1 LEU 21 -0.370 36.700 4.340
160 HD13 LEU 21 3HD1 LEU 21 0.248 36.851 5.985
161 HD21 LEU 21 3HD2 LEU 21 0.488 34.393 4.181
162 HD22 LEU 21 1HD2 LEU 21 -0.013 33.172 5.352
163 HD23 LEU 21 2HD2 LEU 21 1.114 34.442 5.831
164 H GLY 22 H GLY 22 -0.247 32.069 9.140
165 HA2 GLY 22 2HA GLY 22 -0.364 32.475 11.588
166 HA3 GLY 22 1HA GLY 22 -2.104 32.629 11.369
167 H LYS 23 H LYS 23 -2.503 30.555 9.558
168 HA LYS 23 HA LYS 23 -2.101 28.215 11.268
169 HB2 LYS 23 2HB LYS 23 -3.797 28.536 8.782
170 HB3 LYS 23 1HB LYS 23 -3.768 27.126 9.830
171 HG2 LYS 23 2HG LYS 23 -4.705 29.882 10.594
172 HG3 LYS 23 1HG LYS 23 -5.732 28.493 10.239
173 HD2 LYS 23 2HD LYS 23 -4.635 27.293 12.135
174 HD3 LYS 23 1HD LYS 23 -3.802 28.796 12.536
175 HE2 LYS 23 2HE LYS 23 -5.993 29.905 12.788
176 HE3 LYS 23 1HE LYS 23 -6.785 28.362 12.474
177 HZ1 LYS 23 3HZ LYS 23 -5.161 29.152 14.816
178 HZ2 LYS 23 1HZ LYS 23 -5.435 27.520 14.442
179 HZ3 LYS 23 2HZ LYS 23 -6.743 28.540 14.772
180 H ASP 24 H ASP 24 -0.995 29.701 8.429
181 HA ASP 24 HA ASP 24 -0.175 27.627 6.795
182 HB2 ASP 24 2HB ASP 24 -0.092 30.000 6.168
183 HB3 ASP 24 1HB ASP 24 1.212 30.266 7.317
184 H ALA 25 H ALA 25 1.671 29.219 9.389
185 HA ALA 25 HA ALA 25 3.959 27.563 9.147
186 HB1 ALA 25 1HB ALA 25 4.661 28.540 11.264
187 HB2 ALA 25 2HB ALA 25 3.039 29.188 11.515
188 HB3 ALA 25 3HB ALA 25 4.029 29.777 10.180
189 H VAL 26 H VAL 26 0.920 27.144 10.698
190 HA VAL 26 HA VAL 26 1.732 25.205 12.631
191 HB VAL 26 HB VAL 26 -1.034 25.553 11.464
192 HG11 VAL 26 1HG1 VAL 26 -0.095 24.499 14.129
193 HG12 VAL 26 2HG1 VAL 26 -0.746 23.542 12.798
194 HG13 VAL 26 3HG1 VAL 26 -1.776 24.701 13.635
195 HG21 VAL 26 3HG2 VAL 26 0.217 27.020 13.783
196 HG22 VAL 26 1HG2 VAL 26 -1.471 27.123 13.284
197 HG23 VAL 26 2HG2 VAL 26 -0.197 27.714 12.216
198 H GLU 27 H GLU 27 0.032 24.986 9.508
199 HA GLU 27 HA GLU 27 0.081 22.187 9.281
200 HB2 GLU 27 2HB GLU 27 0.026 24.363 7.187
201 HB3 GLU 27 1HB GLU 27 -0.115 22.654 6.796
202 HG2 GLU 27 2HG GLU 27 -1.976 24.120 8.650
203 HG3 GLU 27 1HG GLU 27 -2.272 23.884 6.927
204 H ASP 28 H ASP 28 2.441 24.651 8.568
205 HA ASP 28 HA ASP 28 4.208 23.103 7.017
206 HB2 ASP 28 2HB ASP 28 4.263 25.563 7.104
207 HB3 ASP 28 1HB ASP 28 4.806 25.490 8.777
208 H LEU 29 H LEU 29 4.121 23.763 10.530
209 HA LEU 29 HA LEU 29 6.476 22.215 11.016
210 HB2 LEU 29 2HB LEU 29 6.068 22.550 13.357
211 HB3 LEU 29 1HB LEU 29 5.781 24.053 12.509
212 HG LEU 29 HG LEU 29 3.263 23.222 12.602
213 HD11 LEU 29 1HD1 LEU 29 4.513 21.900 15.006
214 HD12 LEU 29 2HD1 LEU 29 3.769 21.075 13.638
215 HD13 LEU 29 3HD1 LEU 29 2.783 22.075 14.704
216 HD21 LEU 29 3HD2 LEU 29 3.003 24.516 14.665
217 HD22 LEU 29 1HD2 LEU 29 4.093 25.306 13.528
218 HD23 LEU 29 2HD2 LEU 29 4.747 24.445 14.924
219 H GLU 30 H GLU 30 3.047 21.535 10.937
220 HA GLU 30 HA GLU 30 3.413 18.856 11.961
221 HB2 GLU 30 2HB GLU 30 1.041 20.354 10.875
222 HB3 GLU 30 1HB GLU 30 0.963 18.637 11.258
223 HG2 GLU 30 2HG GLU 30 1.508 19.076 13.560
224 HG3 GLU 30 1HG GLU 30 1.763 20.785 13.207
225 H SER 31 H SER 31 4.284 20.219 9.183
226 HA SER 31 HA SER 31 3.649 17.942 7.488
227 HB2 SER 31 2HB SER 31 3.663 20.227 6.511
228 HB3 SER 31 1HB SER 31 5.376 20.370 6.913
229 HG SER 31 HG SER 31 4.635 19.612 4.685
230 H VAL 32 H VAL 32 6.402 19.447 9.128
231 HA VAL 32 HA VAL 32 8.210 17.360 8.317
232 HB VAL 32 HB VAL 32 9.051 19.632 8.720
233 HG11 VAL 32 1HG1 VAL 32 7.613 20.313 10.541
234 HG12 VAL 32 2HG1 VAL 32 9.305 20.484 11.009
235 HG13 VAL 32 3HG1 VAL 32 8.356 19.122 11.608
236 HG21 VAL 32 3HG2 VAL 32 10.192 17.576 10.604
237 HG22 VAL 32 1HG2 VAL 32 11.012 19.037 10.052
238 HG23 VAL 32 2HG2 VAL 32 10.594 17.774 8.897
239 H GLY 33 H GLY 33 6.125 18.023 11.030
240 HA2 GLY 33 2HA GLY 33 7.185 15.798 12.578
241 HA3 GLY 33 1HA GLY 33 5.848 16.846 13.033
242 H LYS 34 H LYS 34 5.363 15.945 9.921
243 HA LYS 34 HA LYS 34 3.080 14.398 10.480
244 HB2 LYS 34 2HB LYS 34 3.521 15.791 8.431
245 HB3 LYS 34 1HB LYS 34 4.617 14.533 7.883
246 HG2 LYS 34 2HG LYS 34 2.767 12.947 7.798
247 HG3 LYS 34 1HG LYS 34 1.660 14.204 8.364
248 HD2 LYS 34 2HD LYS 34 2.281 15.562 6.381
249 HD3 LYS 34 1HD LYS 34 3.258 14.211 5.806
250 HE2 LYS 34 2HE LYS 34 1.238 12.802 5.758
251 HE3 LYS 34 1HE LYS 34 0.276 14.189 6.268
252 HZ1 LYS 34 3HZ LYS 34 0.180 13.857 3.873
253 HZ2 LYS 34 1HZ LYS 34 1.864 14.022 3.763
254 HZ3 LYS 34 2HZ LYS 34 0.915 15.341 4.246
255 H GLY 35 H GLY 35 6.279 13.511 9.197
256 HA2 GLY 35 2HA GLY 35 5.779 10.731 9.018
257 HA3 GLY 35 1HA GLY 35 7.359 11.495 9.043
258 H ALA 36 H ALA 36 6.718 12.767 11.670
259 HA ALA 36 HA ALA 36 7.814 10.779 13.357
260 HB1 ALA 36 1HB ALA 36 8.182 13.164 13.750
261 HB2 ALA 36 2HB ALA 36 7.468 12.393 15.167
262 HB3 ALA 36 3HB ALA 36 6.467 13.379 14.102
263 H VAL 37 H VAL 37 4.590 12.307 13.369
264 HA VAL 37 HA VAL 37 3.421 10.630 15.288
265 HB VAL 37 HB VAL 37 2.036 12.011 12.974
266 HG11 VAL 37 1HG1 VAL 37 0.642 10.320 14.053
267 HG12 VAL 37 2HG1 VAL 37 0.048 11.946 14.393
268 HG13 VAL 37 3HG1 VAL 37 0.949 11.060 15.623
269 HG21 VAL 37 3HG2 VAL 37 1.636 13.847 14.550
270 HG22 VAL 37 1HG2 VAL 37 3.360 13.588 14.282
271 HG23 VAL 37 2HG2 VAL 37 2.602 13.009 15.765
272 H HIS 38 H HIS 38 3.810 10.316 11.824
273 HA HIS 38 HA HIS 38 2.233 8.002 11.448
274 HB2 HIS 38 2HB HIS 38 2.965 9.445 9.597
275 HB3 HIS 38 1HB HIS 38 4.637 8.991 9.892
276 HD1 HIS 38 1HD HIS 38 5.484 6.892 8.799
277 HD2 HIS 38 2HD HIS 38 1.357 7.335 8.472
278 HE1 HIS 38 1HE HIS 38 4.731 5.111 7.188
279 HE2 HIS 38 2HE HIS 38 2.231 5.381 7.012
280 H ASP 39 H ASP 39 5.677 8.461 12.162
281 HA ASP 39 HA ASP 39 6.458 5.764 11.916
282 HB2 ASP 39 2HB ASP 39 8.066 7.603 11.860
283 HB3 ASP 39 1HB ASP 39 7.701 7.996 13.538
284 H VAL 40 H VAL 40 5.318 7.649 14.674
285 HA VAL 40 HA VAL 40 5.796 5.561 16.586
286 HB VAL 40 HB VAL 40 4.002 7.977 16.936
287 HG11 VAL 40 1HG1 VAL 40 5.562 6.338 18.931
288 HG12 VAL 40 2HG1 VAL 40 3.814 6.311 18.708
289 HG13 VAL 40 3HG1 VAL 40 4.605 7.772 19.299
290 HG21 VAL 40 3HG2 VAL 40 6.184 8.694 16.123
291 HG22 VAL 40 1HG2 VAL 40 6.972 7.761 17.395
292 HG23 VAL 40 2HG2 VAL 40 5.958 9.143 17.814
293 H LYS 41 H LYS 41 4.086 5.016 14.201
294 HA LYS 41 HA LYS 41 2.194 3.406 15.680
295 HB2 LYS 41 2HB LYS 41 0.935 5.490 15.016
296 HB3 LYS 41 1HB LYS 41 1.226 5.056 13.334
297 HG2 LYS 41 2HG LYS 41 0.054 2.908 13.743
298 HG3 LYS 41 1HG LYS 41 -0.332 3.473 15.368
299 HD2 LYS 41 2HD LYS 41 -1.557 5.364 14.417
300 HD3 LYS 41 1HD LYS 41 -1.168 4.799 12.790
301 HE2 LYS 41 2HE LYS 41 -2.755 3.272 14.851
302 HE3 LYS 41 1HE LYS 41 -3.434 4.145 13.479
303 HZ1 LYS 41 3HZ LYS 41 -2.337 2.653 11.978
304 HZ2 LYS 41 1HZ LYS 41 -3.218 1.737 13.097
305 HZ3 LYS 41 2HZ LYS 41 -1.532 1.865 13.248
306 H ASP 42 H ASP 42 3.538 4.378 12.570
307 HA ASP 42 HA ASP 42 3.078 2.157 11.013
308 HB2 ASP 42 2HB ASP 42 4.083 4.119 10.068
309 HB3 ASP 42 1HB ASP 42 5.481 3.988 11.131
310 H VAL 43 H VAL 43 5.778 2.672 13.263
311 HA VAL 43 HA VAL 43 6.686 -0.065 12.840
312 HB VAL 43 HB VAL 43 7.852 2.015 14.698
313 HG11 VAL 43 1HG1 VAL 43 8.581 -0.262 15.156
314 HG12 VAL 43 2HG1 VAL 43 9.905 0.698 14.494
315 HG13 VAL 43 3HG1 VAL 43 9.058 -0.462 13.469
316 HG21 VAL 43 3HG2 VAL 43 7.817 2.927 12.453
317 HG22 VAL 43 1HG2 VAL 43 8.549 1.452 11.817
318 HG23 VAL 43 2HG2 VAL 43 9.468 2.496 12.902
319 H LEU 44 H LEU 44 4.505 1.531 14.794
320 HA LEU 44 HA LEU 44 5.051 0.100 17.245
321 HB2 LEU 44 2HB LEU 44 4.239 2.416 17.277
322 HB3 LEU 44 1HB LEU 44 2.754 1.905 16.501
323 HG LEU 44 HG LEU 44 2.224 0.512 18.488
324 HD11 LEU 44 1HD1 LEU 44 4.668 1.844 19.654
325 HD12 LEU 44 2HD1 LEU 44 4.481 0.125 19.302
326 HD13 LEU 44 3HD1 LEU 44 3.496 0.881 20.554
327 HD21 LEU 44 3HD2 LEU 44 1.626 2.372 19.947
328 HD22 LEU 44 1HD2 LEU 44 1.319 2.771 18.256
329 HD23 LEU 44 2HD2 LEU 44 2.738 3.426 19.073
330 H ASP 45 H ASP 45 2.632 0.013 14.656
331 HA ASP 45 HA ASP 45 1.017 -2.001 15.884
332 HB2 ASP 45 2HB ASP 45 1.211 -1.154 12.984
333 HB3 ASP 45 1HB ASP 45 -0.013 -2.239 13.628
334 H SER 46 H SER 46 3.989 -2.043 14.273
335 HA SER 46 HA SER 46 3.831 -4.589 13.031
336 HB2 SER 46 2HB SER 46 6.297 -3.084 13.929
337 HB3 SER 46 1HB SER 46 6.217 -4.353 12.704
338 HG SER 46 HG SER 46 5.882 -2.786 11.355
339 H VAL 47 H VAL 47 3.388 -6.318 14.228
340 HA VAL 47 HA VAL 47 5.294 -7.136 16.241
341 HB VAL 47 HB VAL 47 3.600 -5.844 17.525
342 HG11 VAL 47 1HG1 VAL 47 1.344 -6.761 17.810
343 HG12 VAL 47 2HG1 VAL 47 1.679 -7.949 16.551
344 HG13 VAL 47 3HG1 VAL 47 1.653 -6.230 16.157
345 HG21 VAL 47 3HG2 VAL 47 3.651 -8.808 18.078
346 HG22 VAL 47 1HG2 VAL 47 3.143 -7.568 19.226
347 HG23 VAL 47 2HG2 VAL 47 4.809 -7.606 18.649
348 H LEU 48 H LEU 48 5.079 -9.434 16.726
349 HA LEU 48 HA LEU 48 4.234 -10.890 14.392
350 HB2 LEU 48 2HB LEU 48 5.527 -11.767 16.975
351 HB3 LEU 48 1HB LEU 48 5.097 -12.880 15.692
352 HG LEU 48 HG LEU 48 6.623 -11.498 14.181
353 HD11 LEU 48 1HD1 LEU 48 7.581 -10.457 16.842
354 HD12 LEU 48 2HD1 LEU 48 6.794 -9.511 15.579
355 HD13 LEU 48 3HD1 LEU 48 8.383 -10.223 15.290
356 HD21 LEU 48 3HD2 LEU 48 7.833 -12.983 16.508
357 HD22 LEU 48 1HD2 LEU 48 8.627 -12.648 14.971
358 HD23 LEU 48 2HD2 LEU 48 7.218 -13.706 15.022
Start of MODEL 13
1 H1 SER 1 1HT SER 1 13.657 0.587 9.128
2 H2 SER 1 2HT SER 1 14.015 -0.381 7.787
3 H3 SER 1 3HT SER 1 13.270 1.127 7.570
4 HA SER 1 HA SER 1 15.602 1.229 7.002
5 HB2 SER 1 2HB SER 1 16.170 3.116 8.612
6 HB3 SER 1 1HB SER 1 14.625 3.264 7.775
7 HG SER 1 HG SER 1 14.444 3.708 10.025
8 H SER 2 H SER 2 15.155 -1.131 8.966
9 HA SER 2 HA SER 2 17.825 -0.998 10.191
10 HB2 SER 2 2HB SER 2 16.798 -2.511 11.999
11 HB3 SER 2 1HB SER 2 16.353 -0.804 12.034
12 HG SER 2 HG SER 2 14.372 -1.275 11.307
13 H LEU 3 H LEU 3 18.770 -3.188 10.610
14 HA LEU 3 HA LEU 3 17.813 -5.164 8.660
15 HB2 LEU 3 2HB LEU 3 20.666 -4.251 9.033
16 HB3 LEU 3 1HB LEU 3 20.201 -5.659 8.100
17 HG LEU 3 HG LEU 3 19.372 -2.821 7.473
18 HD11 LEU 3 1HD1 LEU 3 21.766 -3.179 7.149
19 HD12 LEU 3 2HD1 LEU 3 20.931 -3.001 5.606
20 HD13 LEU 3 3HD1 LEU 3 21.424 -4.601 6.163
21 HD21 LEU 3 3HD2 LEU 3 19.033 -5.377 5.907
22 HD22 LEU 3 1HD2 LEU 3 18.583 -3.761 5.365
23 HD23 LEU 3 2HD2 LEU 3 17.748 -4.497 6.732
24 H LEU 4 H LEU 4 20.727 -5.225 10.656
25 HA LEU 4 HA LEU 4 19.606 -7.576 12.025
26 HB2 LEU 4 2HB LEU 4 21.282 -8.191 10.327
27 HB3 LEU 4 1HB LEU 4 22.452 -7.143 11.106
28 HG LEU 4 HG LEU 4 22.369 -8.577 13.122
29 HD11 LEU 4 1HD1 LEU 4 21.283 -10.759 12.996
30 HD12 LEU 4 2HD1 LEU 4 20.609 -10.339 11.421
31 HD13 LEU 4 3HD1 LEU 4 20.110 -9.449 12.861
32 HD21 LEU 4 3HD2 LEU 4 22.996 -10.029 10.549
33 HD22 LEU 4 1HD2 LEU 4 23.585 -10.469 12.152
34 HD23 LEU 4 2HD2 LEU 4 24.079 -8.942 11.420
35 H GLU 5 H GLU 5 20.052 -7.841 14.163
36 HA GLU 5 HA GLU 5 20.402 -5.691 15.855
37 HB2 GLU 5 2HB GLU 5 19.471 -7.803 16.603
38 HB3 GLU 5 1HB GLU 5 21.001 -8.617 16.322
39 HG2 GLU 5 2HG GLU 5 20.733 -8.264 18.670
40 HG3 GLU 5 1HG GLU 5 22.027 -7.222 18.084
41 H LYS 6 H LYS 6 22.849 -8.082 14.872
42 HA LYS 6 HA LYS 6 24.913 -6.559 16.256
43 HB2 LYS 6 2HB LYS 6 25.092 -9.220 14.832
44 HB3 LYS 6 1HB LYS 6 26.341 -8.501 15.845
45 HG2 LYS 6 2HG LYS 6 24.804 -8.612 17.767
46 HG3 LYS 6 1HG LYS 6 23.608 -9.397 16.737
47 HD2 LYS 6 2HD LYS 6 24.741 -11.087 18.001
48 HD3 LYS 6 1HD LYS 6 25.251 -11.216 16.317
49 HE2 LYS 6 2HE LYS 6 27.341 -10.181 16.786
50 HE3 LYS 6 1HE LYS 6 26.816 -9.710 18.401
51 HZ1 LYS 6 3HZ LYS 6 28.281 -11.627 18.468
52 HZ2 LYS 6 1HZ LYS 6 27.224 -12.500 17.467
53 HZ3 LYS 6 2HZ LYS 6 26.729 -12.036 19.023
54 H GLY 7 H GLY 7 23.569 -5.750 13.686
55 HA2 GLY 7 2HA GLY 7 26.036 -5.007 12.313
56 HA3 GLY 7 1HA GLY 7 24.834 -5.882 11.372
57 H LEU 8 H LEU 8 24.120 -3.566 13.900
58 HA LEU 8 HA LEU 8 22.931 -1.805 11.861
59 HB2 LEU 8 2HB LEU 8 21.621 -3.123 13.860
60 HB3 LEU 8 1HB LEU 8 21.967 -1.592 14.636
61 HG LEU 8 HG LEU 8 20.465 -1.914 12.034
62 HD11 LEU 8 1HD1 LEU 8 18.498 -1.295 13.319
63 HD12 LEU 8 2HD1 LEU 8 19.460 -1.251 14.795
64 HD13 LEU 8 3HD1 LEU 8 19.215 -2.778 13.947
65 HD21 LEU 8 3HD2 LEU 8 20.947 0.520 13.747
66 HD22 LEU 8 1HD2 LEU 8 19.919 0.450 12.316
67 HD23 LEU 8 2HD2 LEU 8 21.660 0.206 12.163
68 H ASP 9 H ASP 9 24.183 -0.070 11.608
69 HA ASP 9 HA ASP 9 26.154 0.718 13.472
70 HB2 ASP 9 2HB ASP 9 25.041 2.240 11.109
71 HB3 ASP 9 1HB ASP 9 26.503 2.664 11.996
72 H GLY 10 H GLY 10 22.847 1.572 13.079
73 HA2 GLY 10 2HA GLY 10 22.783 4.044 14.395
74 HA3 GLY 10 1HA GLY 10 21.452 2.895 14.322
75 H ALA 11 H ALA 11 23.101 0.802 15.627
76 HA ALA 11 HA ALA 11 22.229 1.220 18.257
77 HB1 ALA 11 1HB ALA 11 23.430 -0.820 18.805
78 HB2 ALA 11 2HB ALA 11 24.312 -0.730 17.280
79 HB3 ALA 11 3HB ALA 11 22.570 -1.000 17.275
80 H LYS 12 H LYS 12 25.340 1.849 16.709
81 HA LYS 12 HA LYS 12 26.384 2.713 19.310
82 HB2 LYS 12 2HB LYS 12 28.591 2.509 18.470
83 HB3 LYS 12 1HB LYS 12 27.731 1.068 17.958
84 HG2 LYS 12 2HG LYS 12 27.742 3.297 16.036
85 HG3 LYS 12 1HG LYS 12 29.304 2.543 16.350
86 HD2 LYS 12 2HD LYS 12 26.817 1.018 15.580
87 HD3 LYS 12 1HD LYS 12 28.027 1.573 14.421
88 HE2 LYS 12 2HE LYS 12 29.729 0.296 15.788
89 HE3 LYS 12 1HE LYS 12 28.371 -0.426 16.650
90 HZ1 LYS 12 3HZ LYS 12 28.950 -0.635 13.743
91 HZ2 LYS 12 1HZ LYS 12 27.541 -1.228 14.476
92 HZ3 LYS 12 2HZ LYS 12 29.046 -1.879 14.886
93 H LYS 13 H LYS 13 25.646 3.880 16.073
94 HA LYS 13 HA LYS 13 27.031 6.366 16.489
95 HB2 LYS 13 2HB LYS 13 26.797 5.293 14.248
96 HB3 LYS 13 1HB LYS 13 25.077 5.649 14.294
97 HG2 LYS 13 2HG LYS 13 26.898 7.934 14.719
98 HG3 LYS 13 1HG LYS 13 26.891 7.224 13.106
99 HD2 LYS 13 2HD LYS 13 24.249 7.746 14.333
100 HD3 LYS 13 1HD LYS 13 25.197 9.160 13.875
101 HE2 LYS 13 2HE LYS 13 23.680 8.432 12.080
102 HE3 LYS 13 1HE LYS 13 25.373 8.349 11.598
103 HZ1 LYS 13 3HZ LYS 13 25.343 5.978 11.984
104 HZ2 LYS 13 1HZ LYS 13 24.126 6.397 10.887
105 HZ3 LYS 13 2HZ LYS 13 23.723 6.044 12.492
106 H ALA 14 H ALA 14 23.673 5.274 16.631
107 HA ALA 14 HA ALA 14 22.722 7.988 16.995
108 HB1 ALA 14 1HB ALA 14 20.490 7.014 17.035
109 HB2 ALA 14 2HB ALA 14 21.190 5.394 17.058
110 HB3 ALA 14 3HB ALA 14 21.410 6.428 15.648
111 H VAL 15 H VAL 15 24.253 5.969 19.016
112 HA VAL 15 HA VAL 15 22.625 6.793 21.322
113 HB VAL 15 HB VAL 15 23.225 4.361 21.138
114 HG11 VAL 15 1HG1 VAL 15 26.004 5.361 21.722
115 HG12 VAL 15 2HG1 VAL 15 25.465 4.535 20.257
116 HG13 VAL 15 3HG1 VAL 15 25.484 3.677 21.797
117 HG21 VAL 15 3HG2 VAL 15 23.761 4.101 23.498
118 HG22 VAL 15 1HG2 VAL 15 22.582 5.392 23.262
119 HG23 VAL 15 2HG2 VAL 15 24.272 5.787 23.577
120 H GLY 16 H GLY 16 25.586 7.355 19.669
121 HA2 GLY 16 2HA GLY 16 26.449 9.651 20.303
122 HA3 GLY 16 1HA GLY 16 26.566 8.987 21.926
123 H GLY 17 H GLY 17 27.445 6.355 20.925
124 HA2 GLY 17 2HA GLY 17 29.349 5.244 20.315
125 HA3 GLY 17 1HA GLY 17 29.788 6.658 19.365
126 H LEU 18 H LEU 18 31.530 7.697 19.982
127 HA LEU 18 HA LEU 18 32.400 7.400 22.771
128 HB2 LEU 18 2HB LEU 18 34.703 7.754 21.913
129 HB3 LEU 18 1HB LEU 18 33.934 6.291 21.334
130 HG LEU 18 HG LEU 18 33.368 7.693 19.220
131 HD11 LEU 18 1HD1 LEU 18 35.003 9.433 18.702
132 HD12 LEU 18 2HD1 LEU 18 35.669 9.294 20.328
133 HD13 LEU 18 3HD1 LEU 18 34.019 9.869 20.097
134 HD21 LEU 18 3HD2 LEU 18 35.504 7.077 18.218
135 HD22 LEU 18 1HD2 LEU 18 34.893 5.791 19.261
136 HD23 LEU 18 2HD2 LEU 18 36.196 6.839 19.821
137 H GLY 19 H GLY 19 30.891 9.482 20.868
138 HA2 GLY 19 2HA GLY 19 32.316 11.855 21.881
139 HA3 GLY 19 1HA GLY 19 31.246 11.844 20.486
140 H LYS 20 H LYS 20 29.045 10.626 21.314
141 HA LYS 20 HA LYS 20 27.131 10.734 22.514
142 HB2 LYS 20 2HB LYS 20 28.870 11.881 24.694
143 HB3 LYS 20 1HB LYS 20 27.184 11.426 24.892
144 HG2 LYS 20 2HG LYS 20 27.752 9.106 24.352
145 HG3 LYS 20 1HG LYS 20 29.448 9.572 24.180
146 HD2 LYS 20 2HD LYS 20 27.798 9.863 26.689
147 HD3 LYS 20 1HD LYS 20 28.976 8.586 26.382
148 HE2 LYS 20 2HE LYS 20 30.765 10.188 26.288
149 HE3 LYS 20 1HE LYS 20 29.628 11.530 26.397
150 HZ1 LYS 20 3HZ LYS 20 30.713 11.045 28.523
151 HZ2 LYS 20 1HZ LYS 20 30.044 9.484 28.509
152 HZ3 LYS 20 2HZ LYS 20 29.030 10.839 28.608
153 H LEU 21 H LEU 21 29.009 13.702 23.147
154 HA LEU 21 HA LEU 21 26.773 15.351 23.553
155 HB2 LEU 21 2HB LEU 21 29.110 15.843 24.263
156 HB3 LEU 21 1HB LEU 21 29.507 16.188 22.591
157 HG LEU 21 HG LEU 21 27.904 18.058 22.599
158 HD11 LEU 21 1HD1 LEU 21 27.558 17.365 25.512
159 HD12 LEU 21 2HD1 LEU 21 26.335 17.205 24.252
160 HD13 LEU 21 3HD1 LEU 21 26.920 18.802 24.714
161 HD21 LEU 21 3HD2 LEU 21 30.235 18.478 23.151
162 HD22 LEU 21 1HD2 LEU 21 29.904 18.138 24.848
163 HD23 LEU 21 2HD2 LEU 21 29.172 19.540 24.072
164 H GLY 22 H GLY 22 28.071 14.099 20.646
165 HA2 GLY 22 2HA GLY 22 27.282 16.094 18.817
166 HA3 GLY 22 1HA GLY 22 27.463 14.385 18.446
167 H LYS 23 H LYS 23 25.457 13.861 20.688
168 HA LYS 23 HA LYS 23 23.132 13.753 19.035
169 HB2 LYS 23 2HB LYS 23 23.598 13.166 21.958
170 HB3 LYS 23 1HB LYS 23 22.042 12.938 21.171
171 HG2 LYS 23 2HG LYS 23 24.547 11.612 20.182
172 HG3 LYS 23 1HG LYS 23 23.532 10.899 21.434
173 HD2 LYS 23 2HD LYS 23 22.419 11.751 18.775
174 HD3 LYS 23 1HD LYS 23 23.129 10.155 19.021
175 HE2 LYS 23 2HE LYS 23 20.797 9.897 19.331
176 HE3 LYS 23 1HE LYS 23 21.516 9.860 20.937
177 HZ1 LYS 23 3HZ LYS 23 20.934 12.293 21.061
178 HZ2 LYS 23 1HZ LYS 23 19.624 11.222 21.084
179 HZ3 LYS 23 2HZ LYS 23 20.000 12.066 19.666
180 H ASP 24 H ASP 24 24.402 16.052 21.244
181 HA ASP 24 HA ASP 24 22.215 17.166 22.477
182 HB2 ASP 24 2HB ASP 24 24.515 17.821 22.970
183 HB3 ASP 24 1HB ASP 24 24.646 18.604 21.400
184 H ALA 25 H ALA 25 23.590 18.250 19.379
185 HA ALA 25 HA ALA 25 21.520 20.172 18.948
186 HB1 ALA 25 1HB ALA 25 23.584 19.105 17.024
187 HB2 ALA 25 2HB ALA 25 23.786 20.502 18.083
188 HB3 ALA 25 3HB ALA 25 22.588 20.540 16.787
189 H VAL 26 H VAL 26 21.870 16.818 18.268
190 HA VAL 26 HA VAL 26 20.093 16.833 15.985
191 HB VAL 26 HB VAL 26 21.211 14.462 17.493
192 HG11 VAL 26 1HG1 VAL 26 19.268 13.921 16.117
193 HG12 VAL 26 2HG1 VAL 26 20.738 13.217 15.446
194 HG13 VAL 26 3HG1 VAL 26 20.042 14.666 14.719
195 HG21 VAL 26 3HG2 VAL 26 22.280 15.845 15.033
196 HG22 VAL 26 1HG2 VAL 26 22.920 14.366 15.748
197 HG23 VAL 26 2HG2 VAL 26 23.004 15.885 16.639
198 H GLU 27 H GLU 27 19.856 16.403 19.419
199 HA GLU 27 HA GLU 27 17.592 14.747 19.519
200 HB2 GLU 27 2HB GLU 27 18.638 16.740 21.519
201 HB3 GLU 27 1HB GLU 27 17.285 15.664 21.839
202 HG2 GLU 27 2HG GLU 27 18.926 13.790 21.155
203 HG3 GLU 27 1HG GLU 27 20.166 15.006 21.460
204 H ASP 28 H ASP 28 17.859 18.040 18.678
205 HA ASP 28 HA ASP 28 15.143 18.716 19.360
206 HB2 ASP 28 2HB ASP 28 17.084 20.355 19.228
207 HB3 ASP 28 1HB ASP 28 16.969 20.211 17.479
208 H LEU 29 H LEU 29 16.733 17.151 16.767
209 HA LEU 29 HA LEU 29 14.475 17.650 14.949
210 HB2 LEU 29 2HB LEU 29 16.726 18.209 14.111
211 HB3 LEU 29 1HB LEU 29 17.217 16.541 14.343
212 HG LEU 29 HG LEU 29 15.527 15.841 12.668
213 HD11 LEU 29 1HD1 LEU 29 13.953 17.683 12.899
214 HD12 LEU 29 2HD1 LEU 29 14.507 17.553 11.229
215 HD13 LEU 29 3HD1 LEU 29 15.158 18.813 12.279
216 HD21 LEU 29 3HD2 LEU 29 16.745 16.668 10.720
217 HD22 LEU 29 1HD2 LEU 29 17.848 16.216 12.021
218 HD23 LEU 29 2HD2 LEU 29 17.494 17.918 11.715
219 H GLU 30 H GLU 30 16.339 15.099 16.516
220 HA GLU 30 HA GLU 30 15.110 12.923 15.180
221 HB2 GLU 30 2HB GLU 30 16.029 11.547 17.018
222 HB3 GLU 30 1HB GLU 30 17.226 12.637 16.330
223 HG2 GLU 30 2HG GLU 30 16.886 14.180 18.195
224 HG3 GLU 30 1HG GLU 30 15.706 13.073 18.892
225 H SER 31 H SER 31 14.115 14.939 17.797
226 HA SER 31 HA SER 31 12.289 13.170 19.038
227 HB2 SER 31 2HB SER 31 11.317 15.478 19.837
228 HB3 SER 31 1HB SER 31 12.903 14.943 20.398
229 HG SER 31 HG SER 31 13.734 16.617 19.461
230 H VAL 32 H VAL 32 11.926 15.610 16.490
231 HA VAL 32 HA VAL 32 9.103 15.096 16.246
232 HB VAL 32 HB VAL 32 10.030 17.323 15.711
233 HG11 VAL 32 1HG1 VAL 32 12.131 16.675 14.705
234 HG12 VAL 32 2HG1 VAL 32 11.208 17.701 13.607
235 HG13 VAL 32 3HG1 VAL 32 11.278 15.959 13.338
236 HG21 VAL 32 3HG2 VAL 32 7.883 16.694 14.776
237 HG22 VAL 32 1HG2 VAL 32 8.678 15.961 13.383
238 HG23 VAL 32 2HG2 VAL 32 8.773 17.702 13.639
239 H GLY 33 H GLY 33 12.029 13.836 14.916
240 HA2 GLY 33 2HA GLY 33 12.439 11.993 13.622
241 HA3 GLY 33 1HA GLY 33 10.818 11.473 14.046
242 H LYS 34 H LYS 34 11.363 14.449 12.333
243 HA LYS 34 HA LYS 34 10.821 15.188 10.256
244 HB2 LYS 34 2HB LYS 34 11.277 12.302 9.496
245 HB3 LYS 34 1HB LYS 34 11.081 13.622 8.352
246 HG2 LYS 34 2HG LYS 34 13.120 14.637 9.061
247 HG3 LYS 34 1HG LYS 34 13.274 13.513 10.415
248 HD2 LYS 34 2HD LYS 34 13.511 11.656 8.836
249 HD3 LYS 34 1HD LYS 34 13.360 12.781 7.486
250 HE2 LYS 34 2HE LYS 34 15.401 13.881 8.095
251 HE3 LYS 34 1HE LYS 34 15.506 12.955 9.592
252 HZ1 LYS 34 3HZ LYS 34 15.652 11.784 6.862
253 HZ2 LYS 34 1HZ LYS 34 15.837 10.948 8.326
254 HZ3 LYS 34 2HZ LYS 34 16.990 12.101 7.857
255 H GLY 35 H GLY 35 8.844 13.580 12.095
256 HA2 GLY 35 2HA GLY 35 6.418 14.073 11.513
257 HA3 GLY 35 1HA GLY 35 6.747 13.120 10.070
258 H ALA 36 H ALA 36 7.646 12.689 13.475
259 HA ALA 36 HA ALA 36 7.441 9.899 13.430
260 HB1 ALA 36 1HB ALA 36 7.261 11.727 15.816
261 HB2 ALA 36 2HB ALA 36 8.756 11.163 15.070
262 HB3 ALA 36 3HB ALA 36 7.664 10.010 15.840
263 H VAL 37 H VAL 37 5.004 12.292 13.749
264 HA VAL 37 HA VAL 37 3.024 11.004 15.203
265 HB VAL 37 HB VAL 37 2.579 12.722 12.752
266 HG11 VAL 37 1HG1 VAL 37 0.795 12.147 15.116
267 HG12 VAL 37 2HG1 VAL 37 0.573 11.541 13.475
268 HG13 VAL 37 3HG1 VAL 37 0.435 13.268 13.802
269 HG21 VAL 37 3HG2 VAL 37 2.889 13.527 15.642
270 HG22 VAL 37 1HG2 VAL 37 2.449 14.605 14.316
271 HG23 VAL 37 2HG2 VAL 37 4.040 13.843 14.344
272 H HIS 38 H HIS 38 4.028 10.548 11.870
273 HA HIS 38 HA HIS 38 1.906 8.594 11.391
274 HB2 HIS 38 2HB HIS 38 4.180 9.142 9.496
275 HB3 HIS 38 1HB HIS 38 2.556 8.575 9.130
276 HD1 HIS 38 1HD HIS 38 4.563 11.392 8.665
277 HD2 HIS 38 2HD HIS 38 0.623 10.865 9.893
278 HE1 HIS 38 1HE HIS 38 3.421 13.596 8.254
279 HE2 HIS 38 2HE HIS 38 1.077 13.295 9.121
280 H ASP 39 H ASP 39 5.383 8.825 11.771
281 HA ASP 39 HA ASP 39 6.024 6.251 10.825
282 HB2 ASP 39 2HB ASP 39 7.534 8.293 11.004
283 HB3 ASP 39 1HB ASP 39 7.713 7.886 12.709
284 H VAL 40 H VAL 40 5.768 7.505 14.155
285 HA VAL 40 HA VAL 40 6.659 5.140 15.399
286 HB VAL 40 HB VAL 40 4.895 7.319 16.531
287 HG11 VAL 40 1HG1 VAL 40 6.467 5.169 17.949
288 HG12 VAL 40 2HG1 VAL 40 4.710 5.301 17.868
289 HG13 VAL 40 3HG1 VAL 40 5.648 6.519 18.733
290 HG21 VAL 40 3HG2 VAL 40 7.884 6.908 16.664
291 HG22 VAL 40 1HG2 VAL 40 6.982 8.164 17.516
292 HG23 VAL 40 2HG2 VAL 40 7.039 8.160 15.754
293 H LYS 41 H LYS 41 3.460 6.195 14.396
294 HA LYS 41 HA LYS 41 2.006 4.198 15.780
295 HB2 LYS 41 2HB LYS 41 1.279 5.732 13.278
296 HB3 LYS 41 1HB LYS 41 0.166 4.747 14.218
297 HG2 LYS 41 2HG LYS 41 0.529 6.211 16.156
298 HG3 LYS 41 1HG LYS 41 1.599 7.218 15.177
299 HD2 LYS 41 2HD LYS 41 -0.301 7.590 13.608
300 HD3 LYS 41 1HD LYS 41 -1.345 6.724 14.736
301 HE2 LYS 41 2HE LYS 41 -0.894 8.368 16.459
302 HE3 LYS 41 1HE LYS 41 0.237 9.207 15.401
303 HZ1 LYS 41 3HZ LYS 41 -1.673 9.578 13.862
304 HZ2 LYS 41 1HZ LYS 41 -1.809 10.379 15.354
305 HZ3 LYS 41 2HZ LYS 41 -2.704 8.969 15.063
306 H ASP 42 H ASP 42 3.847 4.175 12.859
307 HA ASP 42 HA ASP 42 2.702 1.724 11.843
308 HB2 ASP 42 2HB ASP 42 3.732 3.477 10.376
309 HB3 ASP 42 1HB ASP 42 5.299 3.075 11.070
310 H VAL 43 H VAL 43 5.563 2.731 13.619
311 HA VAL 43 HA VAL 43 6.936 0.276 13.598
312 HB VAL 43 HB VAL 43 7.093 2.457 15.687
313 HG11 VAL 43 1HG1 VAL 43 8.115 0.347 16.397
314 HG12 VAL 43 2HG1 VAL 43 9.334 1.593 16.119
315 HG13 VAL 43 3HG1 VAL 43 9.084 0.322 14.922
316 HG21 VAL 43 3HG2 VAL 43 7.473 3.351 13.456
317 HG22 VAL 43 1HG2 VAL 43 8.662 2.089 13.137
318 HG23 VAL 43 2HG2 VAL 43 8.981 3.308 14.370
319 H LEU 44 H LEU 44 4.589 1.636 15.903
320 HA LEU 44 HA LEU 44 4.864 -0.632 17.657
321 HB2 LEU 44 2HB LEU 44 2.975 0.404 18.911
322 HB3 LEU 44 1HB LEU 44 4.380 1.427 18.721
323 HG LEU 44 HG LEU 44 3.081 2.474 16.735
324 HD11 LEU 44 1HD1 LEU 44 1.304 0.814 16.610
325 HD12 LEU 44 2HD1 LEU 44 0.653 2.414 16.971
326 HD13 LEU 44 3HD1 LEU 44 0.805 1.212 18.255
327 HD21 LEU 44 3HD2 LEU 44 1.981 4.039 18.260
328 HD22 LEU 44 1HD2 LEU 44 3.608 3.635 18.808
329 HD23 LEU 44 2HD2 LEU 44 2.207 2.903 19.589
330 H ASP 45 H ASP 45 3.527 -0.412 14.733
331 HA ASP 45 HA ASP 45 1.304 -2.234 15.366
332 HB2 ASP 45 2HB ASP 45 0.684 -0.190 14.114
333 HB3 ASP 45 1HB ASP 45 1.809 -0.642 12.838
334 H SER 46 H SER 46 4.361 -2.577 14.927
335 HA SER 46 HA SER 46 4.527 -4.291 12.628
336 HB2 SER 46 2HB SER 46 6.846 -4.735 13.488
337 HB3 SER 46 1HB SER 46 6.483 -3.027 13.236
338 HG SER 46 HG SER 46 6.555 -2.673 15.335
339 H VAL 47 H VAL 47 3.023 -4.757 15.435
340 HA VAL 47 HA VAL 47 3.938 -7.176 16.483
341 HB VAL 47 HB VAL 47 1.077 -6.199 16.386
342 HG11 VAL 47 1HG1 VAL 47 2.447 -8.153 18.226
343 HG12 VAL 47 2HG1 VAL 47 1.230 -8.534 17.010
344 HG13 VAL 47 3HG1 VAL 47 0.799 -7.560 18.414
345 HG21 VAL 47 3HG2 VAL 47 2.567 -4.508 17.329
346 HG22 VAL 47 1HG2 VAL 47 3.223 -5.701 18.451
347 HG23 VAL 47 2HG2 VAL 47 1.535 -5.204 18.581
348 H LEU 48 H LEU 48 4.001 -9.144 15.652
349 HA LEU 48 HA LEU 48 2.808 -9.681 13.091
350 HB2 LEU 48 2HB LEU 48 4.387 -11.498 14.917
351 HB3 LEU 48 1HB LEU 48 3.935 -11.864 13.265
352 HG LEU 48 HG LEU 48 5.294 -9.735 12.662
353 HD11 LEU 48 1HD1 LEU 48 5.606 -8.911 14.931
354 HD12 LEU 48 2HD1 LEU 48 7.157 -9.276 14.176
355 HD13 LEU 48 3HD1 LEU 48 6.470 -10.386 15.363
356 HD21 LEU 48 3HD2 LEU 48 7.350 -11.072 12.533
357 HD22 LEU 48 1HD2 LEU 48 5.929 -11.976 12.009
358 HD23 LEU 48 2HD2 LEU 48 6.622 -12.271 13.604
Start of MODEL 14
1 H1 SER 1 1HT SER 1 26.009 41.796 13.465
2 H2 SER 1 2HT SER 1 26.779 41.770 11.956
3 H3 SER 1 3HT SER 1 26.863 40.415 12.967
4 HA SER 1 HA SER 1 24.448 41.486 11.637
5 HB2 SER 1 2HB SER 1 25.950 38.881 11.264
6 HB3 SER 1 1HB SER 1 24.494 39.369 10.397
7 HG SER 1 HG SER 1 25.643 41.049 9.454
8 H SER 2 H SER 2 22.870 41.416 13.101
9 HA SER 2 HA SER 2 22.008 38.923 14.178
10 HB2 SER 2 2HB SER 2 23.792 39.445 15.802
11 HB3 SER 2 1HB SER 2 23.051 41.011 16.114
12 HG SER 2 HG SER 2 21.433 40.067 17.187
13 H LEU 3 H LEU 3 19.927 39.142 15.224
14 HA LEU 3 HA LEU 3 18.710 41.792 15.124
15 HB2 LEU 3 2HB LEU 3 16.729 41.009 13.952
16 HB3 LEU 3 1HB LEU 3 18.159 40.812 12.960
17 HG LEU 3 HG LEU 3 17.151 38.486 14.552
18 HD11 LEU 3 1HD1 LEU 3 15.727 37.844 12.674
19 HD12 LEU 3 2HD1 LEU 3 16.077 39.380 11.881
20 HD13 LEU 3 3HD1 LEU 3 15.187 39.356 13.403
21 HD21 LEU 3 3HD2 LEU 3 18.527 38.742 11.877
22 HD22 LEU 3 1HD2 LEU 3 18.103 37.232 12.684
23 HD23 LEU 3 2HD2 LEU 3 19.299 38.309 13.402
24 H LEU 4 H LEU 4 18.592 38.454 16.191
25 HA LEU 4 HA LEU 4 17.011 39.273 18.513
26 HB2 LEU 4 2HB LEU 4 16.366 36.931 16.713
27 HB3 LEU 4 1HB LEU 4 15.658 37.176 18.298
28 HG LEU 4 HG LEU 4 15.341 39.072 15.967
29 HD11 LEU 4 1HD1 LEU 4 13.040 38.221 15.873
30 HD12 LEU 4 2HD1 LEU 4 13.449 37.012 17.090
31 HD13 LEU 4 3HD1 LEU 4 14.229 36.970 15.508
32 HD21 LEU 4 3HD2 LEU 4 13.587 40.074 17.353
33 HD22 LEU 4 1HD2 LEU 4 15.166 40.176 18.130
34 HD23 LEU 4 2HD2 LEU 4 13.996 38.969 18.665
35 H GLU 5 H GLU 5 16.899 37.277 20.076
36 HA GLU 5 HA GLU 5 19.550 36.527 20.740
37 HB2 GLU 5 2HB GLU 5 16.944 35.299 21.672
38 HB3 GLU 5 1HB GLU 5 18.510 35.082 22.438
39 HG2 GLU 5 2HG GLU 5 16.995 37.669 22.198
40 HG3 GLU 5 1HG GLU 5 17.149 36.682 23.649
41 H LYS 6 H LYS 6 16.898 34.854 19.138
42 HA LYS 6 HA LYS 6 18.559 32.521 18.618
43 HB2 LYS 6 2HB LYS 6 15.700 33.183 17.903
44 HB3 LYS 6 1HB LYS 6 16.504 31.701 17.407
45 HG2 LYS 6 2HG LYS 6 16.082 32.565 20.261
46 HG3 LYS 6 1HG LYS 6 15.076 31.407 19.388
47 HD2 LYS 6 2HD LYS 6 17.049 29.967 19.070
48 HD3 LYS 6 1HD LYS 6 18.019 31.115 19.997
49 HE2 LYS 6 2HE LYS 6 15.598 29.638 21.032
50 HE3 LYS 6 1HE LYS 6 17.273 29.191 21.348
51 HZ1 LYS 6 3HZ LYS 6 16.048 31.787 22.120
52 HZ2 LYS 6 1HZ LYS 6 17.611 31.251 22.504
53 HZ3 LYS 6 2HZ LYS 6 16.259 30.472 23.167
54 H GLY 7 H GLY 7 18.606 35.447 17.422
55 HA2 GLY 7 2HA GLY 7 18.992 34.554 14.632
56 HA3 GLY 7 1HA GLY 7 18.328 36.131 15.038
57 H LEU 8 H LEU 8 20.834 34.748 16.952
58 HA LEU 8 HA LEU 8 22.663 36.864 16.150
59 HB2 LEU 8 2HB LEU 8 22.091 35.981 18.577
60 HB3 LEU 8 1HB LEU 8 23.300 34.775 18.201
61 HG LEU 8 HG LEU 8 23.863 37.732 18.052
62 HD11 LEU 8 1HD1 LEU 8 24.893 37.506 20.254
63 HD12 LEU 8 2HD1 LEU 8 24.317 35.842 20.354
64 HD13 LEU 8 3HD1 LEU 8 23.162 37.175 20.317
65 HD21 LEU 8 3HD2 LEU 8 25.671 35.330 18.286
66 HD22 LEU 8 1HD2 LEU 8 26.186 37.018 18.236
67 HD23 LEU 8 2HD2 LEU 8 25.411 36.290 16.828
68 H ASP 9 H ASP 9 23.696 36.408 14.322
69 HA ASP 9 HA ASP 9 23.890 33.958 13.081
70 HB2 ASP 9 2HB ASP 9 24.170 36.064 11.898
71 HB3 ASP 9 1HB ASP 9 25.678 36.371 12.752
72 H GLY 10 H GLY 10 26.383 35.570 15.036
73 HA2 GLY 10 2HA GLY 10 28.378 33.598 14.680
74 HA3 GLY 10 1HA GLY 10 28.313 34.764 15.993
75 H ALA 11 H ALA 11 25.796 33.916 17.057
76 HA ALA 11 HA ALA 11 26.776 31.834 18.753
77 HB1 ALA 11 1HB ALA 11 25.363 33.640 19.611
78 HB2 ALA 11 2HB ALA 11 24.657 32.055 19.930
79 HB3 ALA 11 3HB ALA 11 24.022 33.057 18.625
80 H LYS 12 H LYS 12 24.588 32.012 16.033
81 HA LYS 12 HA LYS 12 23.409 29.452 16.347
82 HB2 LYS 12 2HB LYS 12 23.765 31.161 13.877
83 HB3 LYS 12 1HB LYS 12 22.791 29.699 13.938
84 HG2 LYS 12 2HG LYS 12 22.316 32.201 15.550
85 HG3 LYS 12 1HG LYS 12 21.412 31.697 14.121
86 HD2 LYS 12 2HD LYS 12 21.587 30.156 16.708
87 HD3 LYS 12 1HD LYS 12 20.231 31.170 16.215
88 HE2 LYS 12 2HE LYS 12 21.228 28.779 14.668
89 HE3 LYS 12 1HE LYS 12 19.884 28.738 15.807
90 HZ1 LYS 12 3HZ LYS 12 19.873 30.636 13.542
91 HZ2 LYS 12 1HZ LYS 12 18.562 30.024 14.426
92 HZ3 LYS 12 2HZ LYS 12 19.387 29.028 13.322
93 H LYS 13 H LYS 13 26.519 30.414 15.366
94 HA LYS 13 HA LYS 13 27.020 27.712 14.311
95 HB2 LYS 13 2HB LYS 13 28.883 28.668 13.006
96 HB3 LYS 13 1HB LYS 13 27.326 29.338 12.544
97 HG2 LYS 13 2HG LYS 13 27.793 31.368 13.761
98 HG3 LYS 13 1HG LYS 13 29.302 30.690 14.373
99 HD2 LYS 13 2HD LYS 13 29.713 32.205 12.508
100 HD3 LYS 13 1HD LYS 13 30.168 30.552 12.090
101 HE2 LYS 13 2HE LYS 13 28.996 31.605 10.245
102 HE3 LYS 13 1HE LYS 13 28.039 30.278 10.904
103 HZ1 LYS 13 3HZ LYS 13 26.836 32.032 12.227
104 HZ2 LYS 13 1HZ LYS 13 26.567 32.066 10.556
105 HZ3 LYS 13 2HZ LYS 13 27.612 33.192 11.271
106 H ALA 14 H ALA 14 27.147 28.917 17.084
107 HA ALA 14 HA ALA 14 29.918 28.885 17.807
108 HB1 ALA 14 1HB ALA 14 28.262 30.122 19.125
109 HB2 ALA 14 2HB ALA 14 29.119 28.937 20.110
110 HB3 ALA 14 3HB ALA 14 27.476 28.604 19.560
111 H VAL 15 H VAL 15 27.230 26.645 18.507
112 HA VAL 15 HA VAL 15 29.087 24.544 19.247
113 HB VAL 15 HB VAL 15 26.074 24.446 18.979
114 HG11 VAL 15 1HG1 VAL 15 27.098 22.235 18.843
115 HG12 VAL 15 2HG1 VAL 15 26.225 22.427 20.363
116 HG13 VAL 15 3HG1 VAL 15 27.985 22.542 20.335
117 HG21 VAL 15 3HG2 VAL 15 27.799 24.861 21.420
118 HG22 VAL 15 1HG2 VAL 15 26.049 24.652 21.425
119 HG23 VAL 15 2HG2 VAL 15 26.764 26.069 20.658
120 H GLY 16 H GLY 16 26.992 25.390 16.568
121 HA2 GLY 16 2HA GLY 16 27.546 22.934 15.138
122 HA3 GLY 16 1HA GLY 16 26.627 24.308 14.537
123 H GLY 17 H GLY 17 27.681 25.970 13.472
124 HA2 GLY 17 2HA GLY 17 29.393 27.115 12.438
125 HA3 GLY 17 1HA GLY 17 30.533 26.184 13.395
126 H LEU 18 H LEU 18 30.983 23.983 12.677
127 HA LEU 18 HA LEU 18 31.511 23.912 9.868
128 HB2 LEU 18 2HB LEU 18 31.849 21.803 12.008
129 HB3 LEU 18 1HB LEU 18 32.404 21.628 10.357
130 HG LEU 18 HG LEU 18 33.869 23.663 10.757
131 HD11 LEU 18 1HD1 LEU 18 32.744 24.548 12.726
132 HD12 LEU 18 2HD1 LEU 18 34.432 24.179 13.076
133 HD13 LEU 18 3HD1 LEU 18 33.159 23.092 13.630
134 HD21 LEU 18 3HD2 LEU 18 34.367 21.198 12.413
135 HD22 LEU 18 1HD2 LEU 18 35.584 22.370 11.905
136 HD23 LEU 18 2HD2 LEU 18 34.743 21.394 10.701
137 H GLY 19 H GLY 19 29.108 22.626 11.999
138 HA2 GLY 19 2HA GLY 19 26.920 22.193 10.967
139 HA3 GLY 19 1HA GLY 19 27.786 21.361 9.682
140 H LYS 20 H LYS 20 26.403 21.111 12.809
141 HA LYS 20 HA LYS 20 27.644 18.567 13.391
142 HB2 LYS 20 2HB LYS 20 26.559 18.640 15.491
143 HB3 LYS 20 1HB LYS 20 27.038 20.289 15.154
144 HG2 LYS 20 2HG LYS 20 24.252 19.179 14.856
145 HG3 LYS 20 1HG LYS 20 24.841 20.141 16.207
146 HD2 LYS 20 2HD LYS 20 25.240 22.020 14.670
147 HD3 LYS 20 1HD LYS 20 24.598 21.049 13.339
148 HE2 LYS 20 2HE LYS 20 22.474 20.819 14.634
149 HE3 LYS 20 1HE LYS 20 23.129 21.947 15.818
150 HZ1 LYS 20 3HZ LYS 20 22.555 22.507 12.955
151 HZ2 LYS 20 1HZ LYS 20 23.308 23.602 14.017
152 HZ3 LYS 20 2HZ LYS 20 21.712 23.104 14.299
153 H LEU 21 H LEU 21 26.669 18.183 11.066
154 HA LEU 21 HA LEU 21 23.970 17.892 10.587
155 HB2 LEU 21 2HB LEU 21 24.675 16.409 8.690
156 HB3 LEU 21 1HB LEU 21 25.406 17.997 8.748
157 HG LEU 21 HG LEU 21 27.388 16.769 9.920
158 HD11 LEU 21 1HD1 LEU 21 26.071 14.479 8.472
159 HD12 LEU 21 2HD1 LEU 21 26.281 14.622 10.217
160 HD13 LEU 21 3HD1 LEU 21 27.689 14.465 9.167
161 HD21 LEU 21 3HD2 LEU 21 26.806 16.426 6.984
162 HD22 LEU 21 1HD2 LEU 21 28.395 16.323 7.741
163 HD23 LEU 21 2HD2 LEU 21 27.514 17.850 7.747
164 H GLY 22 H GLY 22 26.058 15.660 12.252
165 HA2 GLY 22 2HA GLY 22 24.572 13.295 11.965
166 HA3 GLY 22 1HA GLY 22 25.581 13.694 13.348
167 H LYS 23 H LYS 23 24.172 16.011 14.164
168 HA LYS 23 HA LYS 23 21.723 14.784 15.243
169 HB2 LYS 23 2HB LYS 23 23.367 17.132 16.227
170 HB3 LYS 23 1HB LYS 23 21.842 16.640 16.939
171 HG2 LYS 23 2HG LYS 23 23.595 15.797 18.308
172 HG3 LYS 23 1HG LYS 23 22.878 14.428 17.461
173 HD2 LYS 23 2HD LYS 23 24.704 14.340 15.917
174 HD3 LYS 23 1HD LYS 23 25.371 15.850 16.540
175 HE2 LYS 23 2HE LYS 23 25.026 13.392 18.237
176 HE3 LYS 23 1HE LYS 23 26.488 13.707 17.303
177 HZ1 LYS 23 3HZ LYS 23 25.373 15.469 19.424
178 HZ2 LYS 23 1HZ LYS 23 26.778 15.775 18.520
179 HZ3 LYS 23 2HZ LYS 23 26.723 14.452 19.579
180 H ASP 24 H ASP 24 22.983 17.317 13.314
181 HA ASP 24 HA ASP 24 20.917 19.210 13.393
182 HB2 ASP 24 2HB ASP 24 23.200 19.579 12.451
183 HB3 ASP 24 1HB ASP 24 22.761 18.571 11.079
184 H ALA 25 H ALA 25 21.438 16.434 11.249
185 HA ALA 25 HA ALA 25 19.226 16.919 9.560
186 HB1 ALA 25 1HB ALA 25 21.097 15.476 8.929
187 HB2 ALA 25 2HB ALA 25 19.553 14.635 8.787
188 HB3 ALA 25 3HB ALA 25 20.612 14.311 10.159
189 H VAL 26 H VAL 26 19.517 15.470 12.691
190 HA VAL 26 HA VAL 26 17.110 13.958 12.648
191 HB VAL 26 HB VAL 26 18.530 15.081 15.070
192 HG11 VAL 26 1HG1 VAL 26 17.499 13.198 16.252
193 HG12 VAL 26 2HG1 VAL 26 16.669 12.726 14.769
194 HG13 VAL 26 3HG1 VAL 26 16.285 14.263 15.543
195 HG21 VAL 26 3HG2 VAL 26 20.090 13.812 13.693
196 HG22 VAL 26 1HG2 VAL 26 18.965 12.455 13.647
197 HG23 VAL 26 2HG2 VAL 26 19.709 12.931 15.172
198 H GLU 27 H GLU 27 17.907 17.284 13.345
199 HA GLU 27 HA GLU 27 15.518 17.980 14.696
200 HB2 GLU 27 2HB GLU 27 17.401 19.736 13.109
201 HB3 GLU 27 1HB GLU 27 16.174 20.305 14.233
202 HG2 GLU 27 2HG GLU 27 18.536 18.585 14.954
203 HG3 GLU 27 1HG GLU 27 18.414 20.324 15.217
204 H ASP 28 H ASP 28 16.270 17.475 11.372
205 HA ASP 28 HA ASP 28 14.152 18.910 10.176
206 HB2 ASP 28 2HB ASP 28 15.931 18.036 8.792
207 HB3 ASP 28 1HB ASP 28 15.586 16.390 9.308
208 H LEU 29 H LEU 29 14.351 15.769 11.706
209 HA LEU 29 HA LEU 29 11.609 15.096 11.056
210 HB2 LEU 29 2HB LEU 29 13.428 13.389 11.233
211 HB3 LEU 29 1HB LEU 29 13.538 13.742 12.946
212 HG LEU 29 HG LEU 29 11.162 13.011 13.190
213 HD11 LEU 29 1HD1 LEU 29 10.189 11.670 11.385
214 HD12 LEU 29 2HD1 LEU 29 11.532 12.125 10.336
215 HD13 LEU 29 3HD1 LEU 29 10.411 13.355 10.922
216 HD21 LEU 29 3HD2 LEU 29 11.656 10.619 13.029
217 HD22 LEU 29 1HD2 LEU 29 12.992 11.520 13.746
218 HD23 LEU 29 2HD2 LEU 29 13.090 10.983 12.068
219 H GLU 30 H GLU 30 13.519 15.998 13.888
220 HA GLU 30 HA GLU 30 11.391 15.794 15.754
221 HB2 GLU 30 2HB GLU 30 14.068 17.177 15.902
222 HB3 GLU 30 1HB GLU 30 12.968 17.020 17.268
223 HG2 GLU 30 2HG GLU 30 14.108 14.697 15.731
224 HG3 GLU 30 1HG GLU 30 14.792 15.341 17.225
225 H SER 31 H SER 31 13.179 18.745 14.847
226 HA SER 31 HA SER 31 11.382 20.454 16.140
227 HB2 SER 31 2HB SER 31 13.344 21.101 13.928
228 HB3 SER 31 1HB SER 31 12.607 22.268 15.029
229 HG SER 31 HG SER 31 14.712 21.619 15.716
230 H VAL 32 H VAL 32 11.574 19.476 12.741
231 HA VAL 32 HA VAL 32 9.523 21.297 11.914
232 HB VAL 32 HB VAL 32 10.522 18.846 10.446
233 HG11 VAL 32 1HG1 VAL 32 8.418 19.699 9.574
234 HG12 VAL 32 2HG1 VAL 32 9.734 20.036 8.447
235 HG13 VAL 32 3HG1 VAL 32 9.100 21.322 9.475
236 HG21 VAL 32 3HG2 VAL 32 11.499 21.698 10.341
237 HG22 VAL 32 1HG2 VAL 32 12.001 20.404 9.255
238 HG23 VAL 32 2HG2 VAL 32 12.384 20.308 10.974
239 H GLY 33 H GLY 33 9.645 17.881 12.803
240 HA2 GLY 33 2HA GLY 33 7.958 16.562 13.661
241 HA3 GLY 33 1HA GLY 33 6.867 17.930 13.524
242 H LYS 34 H LYS 34 8.475 15.409 11.616
243 HA LYS 34 HA LYS 34 6.169 15.460 9.783
244 HB2 LYS 34 2HB LYS 34 9.089 15.249 9.044
245 HB3 LYS 34 1HB LYS 34 7.773 14.913 7.928
246 HG2 LYS 34 2HG LYS 34 6.994 17.215 8.144
247 HG3 LYS 34 1HG LYS 34 8.297 17.553 9.283
248 HD2 LYS 34 2HD LYS 34 8.720 16.625 6.443
249 HD3 LYS 34 1HD LYS 34 8.772 18.312 6.961
250 HE2 LYS 34 2HE LYS 34 10.621 17.809 8.461
251 HE3 LYS 34 1HE LYS 34 10.551 16.109 8.003
252 HZ1 LYS 34 3HZ LYS 34 11.217 16.644 5.800
253 HZ2 LYS 34 1HZ LYS 34 12.306 17.412 6.855
254 HZ3 LYS 34 2HZ LYS 34 11.090 18.314 6.089
255 H GLY 35 H GLY 35 7.593 13.616 12.036
256 HA2 GLY 35 2HA GLY 35 7.075 11.145 10.513
257 HA3 GLY 35 1HA GLY 35 8.593 11.329 11.368
258 H ALA 36 H ALA 36 7.111 12.762 13.591
259 HA ALA 36 HA ALA 36 7.024 10.697 15.396
260 HB1 ALA 36 1HB ALA 36 5.385 13.225 15.532
261 HB2 ALA 36 2HB ALA 36 7.073 13.069 16.015
262 HB3 ALA 36 3HB ALA 36 5.821 12.188 16.890
263 H VAL 37 H VAL 37 4.105 12.233 14.004
264 HA VAL 37 HA VAL 37 2.579 9.881 14.844
265 HB VAL 37 HB VAL 37 1.470 12.405 13.604
266 HG11 VAL 37 1HG1 VAL 37 -0.612 11.702 14.672
267 HG12 VAL 37 2HG1 VAL 37 0.190 10.267 15.310
268 HG13 VAL 37 3HG1 VAL 37 -0.017 10.460 13.569
269 HG21 VAL 37 3HG2 VAL 37 1.843 11.768 16.529
270 HG22 VAL 37 1HG2 VAL 37 0.982 13.161 15.878
271 HG23 VAL 37 2HG2 VAL 37 2.719 12.998 15.615
272 H HIS 38 H HIS 38 4.121 8.972 13.013
273 HA HIS 38 HA HIS 38 2.298 8.099 11.015
274 HB2 HIS 38 2HB HIS 38 3.158 10.340 10.084
275 HB3 HIS 38 1HB HIS 38 4.701 9.519 9.874
276 HD1 HIS 38 1HD HIS 38 4.876 7.778 7.964
277 HD2 HIS 38 2HD HIS 38 1.108 9.506 8.347
278 HE1 HIS 38 1HE HIS 38 3.608 7.115 5.898
279 HE2 HIS 38 2HE HIS 38 1.271 7.992 6.254
280 H ASP 39 H ASP 39 5.798 8.455 11.638
281 HA ASP 39 HA ASP 39 6.381 5.857 10.575
282 HB2 ASP 39 2HB ASP 39 8.074 7.621 10.506
283 HB3 ASP 39 1HB ASP 39 8.088 7.699 12.267
284 H VAL 40 H VAL 40 6.545 7.217 13.861
285 HA VAL 40 HA VAL 40 6.962 4.844 15.257
286 HB VAL 40 HB VAL 40 5.328 7.194 16.239
287 HG11 VAL 40 1HG1 VAL 40 6.151 6.526 18.454
288 HG12 VAL 40 2HG1 VAL 40 6.950 5.133 17.724
289 HG13 VAL 40 3HG1 VAL 40 5.191 5.256 17.693
290 HG21 VAL 40 3HG2 VAL 40 8.317 6.795 16.306
291 HG22 VAL 40 1HG2 VAL 40 7.438 8.107 17.091
292 HG23 VAL 40 2HG2 VAL 40 7.446 7.978 15.333
293 H LYS 41 H LYS 41 4.068 6.214 13.905
294 HA LYS 41 HA LYS 41 2.072 4.753 15.144
295 HB2 LYS 41 2HB LYS 41 1.596 6.575 13.623
296 HB3 LYS 41 1HB LYS 41 2.303 5.695 12.281
297 HG2 LYS 41 2HG LYS 41 0.006 4.459 13.698
298 HG3 LYS 41 1HG LYS 41 -0.306 5.844 12.649
299 HD2 LYS 41 2HD LYS 41 0.773 4.672 10.788
300 HD3 LYS 41 1HD LYS 41 1.100 3.294 11.841
301 HE2 LYS 41 2HE LYS 41 -1.628 4.357 11.118
302 HE3 LYS 41 1HE LYS 41 -0.871 2.918 10.439
303 HZ1 LYS 41 3HZ LYS 41 -0.846 1.927 12.645
304 HZ2 LYS 41 1HZ LYS 41 -2.428 2.343 12.191
305 HZ3 LYS 41 2HZ LYS 41 -1.585 3.311 13.300
306 H ASP 42 H ASP 42 4.027 3.872 12.306
307 HA ASP 42 HA ASP 42 2.742 1.309 12.043
308 HB2 ASP 42 2HB ASP 42 3.644 2.559 10.091
309 HB3 ASP 42 1HB ASP 42 5.270 2.304 10.717
310 H VAL 43 H VAL 43 5.666 2.564 13.495
311 HA VAL 43 HA VAL 43 6.984 0.123 13.987
312 HB VAL 43 HB VAL 43 7.066 2.645 15.660
313 HG11 VAL 43 1HG1 VAL 43 9.024 0.360 15.471
314 HG12 VAL 43 2HG1 VAL 43 7.971 0.717 16.840
315 HG13 VAL 43 3HG1 VAL 43 9.254 1.843 16.399
316 HG21 VAL 43 3HG2 VAL 43 8.809 1.784 13.355
317 HG22 VAL 43 1HG2 VAL 43 9.065 3.211 14.359
318 HG23 VAL 43 2HG2 VAL 43 7.631 3.097 13.337
319 H LEU 44 H LEU 44 4.554 1.925 15.802
320 HA LEU 44 HA LEU 44 4.490 0.208 18.052
321 HB2 LEU 44 2HB LEU 44 3.604 2.500 18.067
322 HB3 LEU 44 1HB LEU 44 2.344 2.020 16.949
323 HG LEU 44 HG LEU 44 1.445 0.476 18.665
324 HD11 LEU 44 1HD1 LEU 44 2.228 0.656 20.963
325 HD12 LEU 44 2HD1 LEU 44 3.507 1.758 20.447
326 HD13 LEU 44 3HD1 LEU 44 3.510 0.081 19.898
327 HD21 LEU 44 3HD2 LEU 44 0.498 2.700 18.428
328 HD22 LEU 44 1HD2 LEU 44 1.725 3.361 19.508
329 HD23 LEU 44 2HD2 LEU 44 0.525 2.228 20.128
330 H ASP 45 H ASP 45 2.740 0.250 14.985
331 HA ASP 45 HA ASP 45 0.933 -1.844 15.588
332 HB2 ASP 45 2HB ASP 45 2.053 -0.885 12.945
333 HB3 ASP 45 1HB ASP 45 0.817 -2.130 13.073
334 H SER 46 H SER 46 3.935 -1.841 13.719
335 HA SER 46 HA SER 46 5.476 -3.404 13.242
336 HB2 SER 46 2HB SER 46 5.685 -3.431 15.741
337 HB3 SER 46 1HB SER 46 4.577 -4.803 15.770
338 HG SER 46 HG SER 46 7.102 -4.688 14.470
339 H VAL 47 H VAL 47 4.212 -3.978 11.401
340 HA VAL 47 HA VAL 47 2.727 -6.469 11.542
341 HB VAL 47 HB VAL 47 3.564 -4.872 9.109
342 HG11 VAL 47 1HG1 VAL 47 1.782 -6.094 7.963
343 HG12 VAL 47 2HG1 VAL 47 1.473 -7.021 9.432
344 HG13 VAL 47 3HG1 VAL 47 3.014 -7.189 8.591
345 HG21 VAL 47 3HG2 VAL 47 0.953 -4.826 10.620
346 HG22 VAL 47 1HG2 VAL 47 1.303 -3.957 9.125
347 HG23 VAL 47 2HG2 VAL 47 2.162 -3.543 10.608
348 H LEU 48 H LEU 48 5.854 -5.254 10.644
349 HA LEU 48 HA LEU 48 6.844 -8.006 10.543
350 HB2 LEU 48 2HB LEU 48 6.760 -7.157 8.235
351 HB3 LEU 48 1HB LEU 48 7.709 -5.760 8.711
352 HG LEU 48 HG LEU 48 9.598 -7.257 9.258
353 HD11 LEU 48 1HD1 LEU 48 8.349 -9.276 9.788
354 HD12 LEU 48 2HD1 LEU 48 9.534 -9.589 8.521
355 HD13 LEU 48 3HD1 LEU 48 7.829 -9.413 8.106
356 HD21 LEU 48 3HD2 LEU 48 9.468 -6.208 7.071
357 HD22 LEU 48 1HD2 LEU 48 8.505 -7.555 6.465
358 HD23 LEU 48 2HD2 LEU 48 10.182 -7.817 6.948
Start of MODEL 15
1 H1 SER 1 1HT SER 1 -8.706 44.414 15.970
2 H2 SER 1 2HT SER 1 -7.968 45.842 16.507
3 H3 SER 1 3HT SER 1 -9.175 45.109 17.443
4 HA SER 1 HA SER 1 -6.511 43.988 16.835
5 HB2 SER 1 2HB SER 1 -7.673 44.987 19.450
6 HB3 SER 1 1HB SER 1 -6.048 44.341 19.209
7 HG SER 1 HG SER 1 -6.508 46.779 19.155
8 H SER 2 H SER 2 -6.925 41.927 16.369
9 HA SER 2 HA SER 2 -9.065 40.502 17.729
10 HB2 SER 2 2HB SER 2 -7.166 39.402 15.653
11 HB3 SER 2 1HB SER 2 -8.792 38.842 16.050
12 HG SER 2 HG SER 2 -9.623 40.336 14.804
13 H LEU 3 H LEU 3 -8.564 38.227 18.470
14 HA LEU 3 HA LEU 3 -6.315 38.260 20.271
15 HB2 LEU 3 2HB LEU 3 -7.170 36.194 21.146
16 HB3 LEU 3 1HB LEU 3 -8.514 37.291 20.913
17 HG LEU 3 HG LEU 3 -7.828 35.109 18.943
18 HD11 LEU 3 1HD1 LEU 3 -8.280 34.108 21.118
19 HD12 LEU 3 2HD1 LEU 3 -9.601 33.797 19.991
20 HD13 LEU 3 3HD1 LEU 3 -9.777 35.029 21.242
21 HD21 LEU 3 3HD2 LEU 3 -10.153 35.406 18.242
22 HD22 LEU 3 1HD2 LEU 3 -9.235 36.900 18.067
23 HD23 LEU 3 2HD2 LEU 3 -10.346 36.701 19.423
24 H LEU 4 H LEU 4 -5.456 38.421 17.645
25 HA LEU 4 HA LEU 4 -4.849 35.873 16.518
26 HB2 LEU 4 2HB LEU 4 -5.028 38.299 15.470
27 HB3 LEU 4 1HB LEU 4 -3.312 38.331 15.816
28 HG LEU 4 HG LEU 4 -4.663 36.253 14.086
29 HD11 LEU 4 1HD1 LEU 4 -3.619 37.433 12.212
30 HD12 LEU 4 2HD1 LEU 4 -3.059 38.687 13.319
31 HD13 LEU 4 3HD1 LEU 4 -4.787 38.449 13.058
32 HD21 LEU 4 3HD2 LEU 4 -2.382 35.697 13.402
33 HD22 LEU 4 1HD2 LEU 4 -2.612 35.448 15.132
34 HD23 LEU 4 2HD2 LEU 4 -1.750 36.875 14.554
35 H GLU 5 H GLU 5 -2.492 38.380 17.477
36 HA GLU 5 HA GLU 5 -0.460 36.405 17.840
37 HB2 GLU 5 2HB GLU 5 -0.291 38.953 17.163
38 HB3 GLU 5 1HB GLU 5 -0.171 39.188 18.898
39 HG2 GLU 5 2HG GLU 5 1.662 37.537 17.177
40 HG3 GLU 5 1HG GLU 5 2.027 39.097 17.908
41 H LYS 6 H LYS 6 -1.552 38.873 20.170
42 HA LYS 6 HA LYS 6 -0.572 37.282 22.350
43 HB2 LYS 6 2HB LYS 6 -1.389 39.172 23.755
44 HB3 LYS 6 1HB LYS 6 -0.276 39.655 22.487
45 HG2 LYS 6 2HG LYS 6 -2.136 40.450 21.135
46 HG3 LYS 6 1HG LYS 6 -3.273 39.929 22.378
47 HD2 LYS 6 2HD LYS 6 -1.096 41.981 22.780
48 HD3 LYS 6 1HD LYS 6 -2.793 42.357 22.466
49 HE2 LYS 6 2HE LYS 6 -1.811 40.723 24.802
50 HE3 LYS 6 1HE LYS 6 -2.153 42.451 24.877
51 HZ1 LYS 6 3HZ LYS 6 -4.425 42.078 24.523
52 HZ2 LYS 6 1HZ LYS 6 -3.968 40.893 25.640
53 HZ3 LYS 6 2HZ LYS 6 -4.190 40.478 24.012
54 H GLY 7 H GLY 7 -2.834 36.173 20.824
55 HA2 GLY 7 2HA GLY 7 -4.622 35.753 23.131
56 HA3 GLY 7 1HA GLY 7 -5.283 35.999 21.524
57 H LEU 8 H LEU 8 -4.875 34.425 19.904
58 HA LEU 8 HA LEU 8 -5.232 31.787 20.828
59 HB2 LEU 8 2HB LEU 8 -5.988 32.918 18.630
60 HB3 LEU 8 1HB LEU 8 -4.393 32.524 18.033
61 HG LEU 8 HG LEU 8 -6.190 30.926 17.354
62 HD11 LEU 8 1HD1 LEU 8 -4.902 28.900 17.773
63 HD12 LEU 8 2HD1 LEU 8 -3.971 29.744 19.010
64 HD13 LEU 8 3HD1 LEU 8 -3.849 30.242 17.323
65 HD21 LEU 8 3HD2 LEU 8 -7.494 30.953 19.401
66 HD22 LEU 8 1HD2 LEU 8 -6.157 30.212 20.281
67 HD23 LEU 8 2HD2 LEU 8 -6.986 29.309 19.013
68 H ASP 9 H ASP 9 -2.495 33.266 19.061
69 HA ASP 9 HA ASP 9 -0.870 30.931 19.563
70 HB2 ASP 9 2HB ASP 9 -0.709 32.289 17.456
71 HB3 ASP 9 1HB ASP 9 0.019 33.577 18.411
72 H GLY 10 H GLY 10 -1.550 33.892 21.094
73 HA2 GLY 10 2HA GLY 10 0.791 34.180 22.656
74 HA3 GLY 10 1HA GLY 10 -0.797 34.825 23.052
75 H ALA 11 H ALA 11 -1.928 32.062 22.830
76 HA ALA 11 HA ALA 11 -1.782 31.263 25.507
77 HB1 ALA 11 1HB ALA 11 -2.536 29.599 23.107
78 HB2 ALA 11 2HB ALA 11 -3.625 30.651 24.013
79 HB3 ALA 11 3HB ALA 11 -2.919 29.232 24.788
80 H LYS 12 H LYS 12 0.126 30.370 22.699
81 HA LYS 12 HA LYS 12 1.439 28.138 23.824
82 HB2 LYS 12 2HB LYS 12 2.300 30.047 21.648
83 HB3 LYS 12 1HB LYS 12 3.233 28.636 22.109
84 HG2 LYS 12 2HG LYS 12 2.047 27.964 20.228
85 HG3 LYS 12 1HG LYS 12 1.140 27.282 21.577
86 HD2 LYS 12 2HD LYS 12 -0.561 28.896 21.383
87 HD3 LYS 12 1HD LYS 12 0.425 29.929 20.346
88 HE2 LYS 12 2HE LYS 12 -0.702 27.224 19.629
89 HE3 LYS 12 1HE LYS 12 -1.291 28.784 19.055
90 HZ1 LYS 12 3HZ LYS 12 1.333 27.521 18.463
91 HZ2 LYS 12 1HZ LYS 12 0.953 29.135 18.068
92 HZ3 LYS 12 2HZ LYS 12 0.078 27.862 17.370
93 H LYS 13 H LYS 13 2.103 31.592 23.893
94 HA LYS 13 HA LYS 13 4.658 31.326 25.144
95 HB2 LYS 13 2HB LYS 13 2.808 33.664 24.720
96 HB3 LYS 13 1HB LYS 13 4.288 33.820 25.652
97 HG2 LYS 13 2HG LYS 13 5.102 34.453 23.649
98 HG3 LYS 13 1HG LYS 13 5.312 32.717 23.458
99 HD2 LYS 13 2HD LYS 13 3.251 32.566 22.195
100 HD3 LYS 13 1HD LYS 13 2.926 34.281 22.473
101 HE2 LYS 13 2HE LYS 13 5.091 34.781 21.312
102 HE3 LYS 13 1HE LYS 13 5.191 33.076 20.885
103 HZ1 LYS 13 3HZ LYS 13 3.076 33.315 19.688
104 HZ2 LYS 13 1HZ LYS 13 4.271 34.348 19.076
105 HZ3 LYS 13 2HZ LYS 13 3.046 34.973 20.064
106 H ALA 14 H ALA 14 1.430 31.214 26.237
107 HA ALA 14 HA ALA 14 2.088 31.933 28.976
108 HB1 ALA 14 1HB ALA 14 -0.524 30.986 27.801
109 HB2 ALA 14 2HB ALA 14 -0.047 32.669 28.022
110 HB3 ALA 14 3HB ALA 14 -0.286 31.627 29.426
111 H VAL 15 H VAL 15 0.914 29.074 27.204
112 HA VAL 15 HA VAL 15 1.077 27.381 29.519
113 HB VAL 15 HB VAL 15 -0.542 26.986 27.660
114 HG11 VAL 15 1HG1 VAL 15 0.234 25.845 25.622
115 HG12 VAL 15 2HG1 VAL 15 1.903 26.110 26.128
116 HG13 VAL 15 3HG1 VAL 15 0.865 27.485 25.755
117 HG21 VAL 15 3HG2 VAL 15 -0.286 24.540 27.615
118 HG22 VAL 15 1HG2 VAL 15 -0.056 25.216 29.227
119 HG23 VAL 15 2HG2 VAL 15 1.340 24.715 28.274
120 H GLY 16 H GLY 16 3.228 28.374 27.020
121 HA2 GLY 16 2HA GLY 16 5.064 26.170 27.320
122 HA3 GLY 16 1HA GLY 16 5.313 27.621 26.361
123 H GLY 17 H GLY 17 4.855 26.859 29.818
124 HA2 GLY 17 2HA GLY 17 6.901 28.814 30.513
125 HA3 GLY 17 1HA GLY 17 5.941 27.860 31.639
126 H LEU 18 H LEU 18 6.428 25.341 30.537
127 HA LEU 18 HA LEU 18 9.148 24.885 31.452
128 HB2 LEU 18 2HB LEU 18 8.454 22.446 31.163
129 HB3 LEU 18 1HB LEU 18 7.659 23.370 32.417
130 HG LEU 18 HG LEU 18 5.738 23.700 30.769
131 HD11 LEU 18 1HD1 LEU 18 7.174 21.472 29.331
132 HD12 LEU 18 2HD1 LEU 18 6.874 23.097 28.713
133 HD13 LEU 18 3HD1 LEU 18 5.524 22.003 29.010
134 HD21 LEU 18 3HD2 LEU 18 4.779 21.512 31.275
135 HD22 LEU 18 1HD2 LEU 18 5.619 22.185 32.672
136 HD23 LEU 18 2HD2 LEU 18 6.377 20.911 31.718
137 H GLY 19 H GLY 19 8.057 25.902 28.672
138 HA2 GLY 19 2HA GLY 19 10.241 24.884 27.157
139 HA3 GLY 19 1HA GLY 19 8.724 24.152 26.651
140 H LYS 20 H LYS 20 9.860 27.406 27.553
141 HA LYS 20 HA LYS 20 8.062 28.698 25.752
142 HB2 LYS 20 2HB LYS 20 8.952 29.717 27.844
143 HB3 LYS 20 1HB LYS 20 10.538 29.798 27.094
144 HG2 LYS 20 2HG LYS 20 9.878 31.461 25.603
145 HG3 LYS 20 1HG LYS 20 8.160 31.134 25.852
146 HD2 LYS 20 2HD LYS 20 10.031 32.237 27.948
147 HD3 LYS 20 1HD LYS 20 8.924 33.208 26.972
148 HE2 LYS 20 2HE LYS 20 7.019 32.095 27.914
149 HE3 LYS 20 1HE LYS 20 8.050 30.929 28.742
150 HZ1 LYS 20 3HZ LYS 20 7.168 32.697 30.192
151 HZ2 LYS 20 1HZ LYS 20 8.044 33.847 29.308
152 HZ3 LYS 20 2HZ LYS 20 8.863 32.639 30.174
153 H LEU 21 H LEU 21 11.253 27.428 25.530
154 HA LEU 21 HA LEU 21 11.290 28.180 22.692
155 HB2 LEU 21 2HB LEU 21 13.689 28.361 22.714
156 HB3 LEU 21 1HB LEU 21 13.029 29.432 23.930
157 HG LEU 21 HG LEU 21 14.135 26.713 24.605
158 HD11 LEU 21 1HD1 LEU 21 16.200 27.839 25.246
159 HD12 LEU 21 2HD1 LEU 21 15.571 29.363 24.618
160 HD13 LEU 21 3HD1 LEU 21 15.883 28.019 23.520
161 HD21 LEU 21 3HD2 LEU 21 12.672 27.719 26.283
162 HD22 LEU 21 1HD2 LEU 21 13.662 29.180 26.278
163 HD23 LEU 21 2HD2 LEU 21 14.343 27.655 26.847
164 H GLY 22 H GLY 22 12.030 26.579 21.263
165 HA2 GLY 22 2HA GLY 22 12.889 24.431 20.736
166 HA3 GLY 22 1HA GLY 22 12.673 23.961 22.414
167 H LYS 23 H LYS 23 10.046 24.664 22.841
168 HA LYS 23 HA LYS 23 8.700 22.460 21.617
169 HB2 LYS 23 2HB LYS 23 7.717 24.667 23.436
170 HB3 LYS 23 1HB LYS 23 6.717 23.322 22.902
171 HG2 LYS 23 2HG LYS 23 9.292 22.984 24.423
172 HG3 LYS 23 1HG LYS 23 7.702 23.069 25.184
173 HD2 LYS 23 2HD LYS 23 6.982 21.109 23.932
174 HD3 LYS 23 1HD LYS 23 8.544 21.042 23.115
175 HE2 LYS 23 2HE LYS 23 8.169 20.791 26.097
176 HE3 LYS 23 1HE LYS 23 8.321 19.425 24.992
177 HZ1 LYS 23 3HZ LYS 23 10.506 20.366 24.315
178 HZ2 LYS 23 1HZ LYS 23 10.449 19.853 25.931
179 HZ3 LYS 23 2HZ LYS 23 10.364 21.505 25.567
180 H ASP 24 H ASP 24 9.068 25.777 20.875
181 HA ASP 24 HA ASP 24 6.680 26.210 19.403
182 HB2 ASP 24 2HB ASP 24 7.809 28.199 18.531
183 HB3 ASP 24 1HB ASP 24 8.077 28.059 20.265
184 H ALA 25 H ALA 25 9.799 24.827 18.651
185 HA ALA 25 HA ALA 25 9.314 24.695 15.814
186 HB1 ALA 25 1HB ALA 25 11.355 23.357 15.738
187 HB2 ALA 25 2HB ALA 25 11.371 23.270 17.500
188 HB3 ALA 25 3HB ALA 25 11.595 24.823 16.695
189 H VAL 26 H VAL 26 8.579 22.808 18.591
190 HA VAL 26 HA VAL 26 8.219 20.299 17.279
191 HB VAL 26 HB VAL 26 7.052 21.253 19.901
192 HG11 VAL 26 1HG1 VAL 26 6.842 18.871 20.439
193 HG12 VAL 26 2HG1 VAL 26 7.394 18.462 18.814
194 HG13 VAL 26 3HG1 VAL 26 5.869 19.318 19.038
195 HG21 VAL 26 3HG2 VAL 26 9.476 21.386 19.916
196 HG22 VAL 26 1HG2 VAL 26 9.587 19.720 19.347
197 HG23 VAL 26 2HG2 VAL 26 8.924 20.063 20.945
198 H GLU 27 H GLU 27 6.188 23.071 17.966
199 HA GLU 27 HA GLU 27 3.654 22.074 17.530
200 HB2 GLU 27 2HB GLU 27 4.768 24.733 16.626
201 HB3 GLU 27 1HB GLU 27 3.059 24.333 16.681
202 HG2 GLU 27 2HG GLU 27 3.312 23.954 19.133
203 HG3 GLU 27 1HG GLU 27 4.954 24.590 18.999
204 H ASP 28 H ASP 28 5.842 23.434 15.089
205 HA ASP 28 HA ASP 28 4.253 23.188 12.857
206 HB2 ASP 28 2HB ASP 28 6.492 24.308 12.988
207 HB3 ASP 28 1HB ASP 28 7.238 22.716 12.907
208 H LEU 29 H LEU 29 6.518 20.792 14.149
209 HA LEU 29 HA LEU 29 6.332 18.917 12.111
210 HB2 LEU 29 2HB LEU 29 6.812 18.425 15.050
211 HB3 LEU 29 1HB LEU 29 7.173 17.299 13.755
212 HG LEU 29 HG LEU 29 8.471 20.001 14.124
213 HD11 LEU 29 1HD1 LEU 29 9.529 17.222 14.618
214 HD12 LEU 29 2HD1 LEU 29 9.137 18.420 15.852
215 HD13 LEU 29 3HD1 LEU 29 10.463 18.713 14.726
216 HD21 LEU 29 3HD2 LEU 29 8.334 19.337 11.779
217 HD22 LEU 29 1HD2 LEU 29 9.057 17.777 12.172
218 HD23 LEU 29 2HD2 LEU 29 9.996 19.257 12.364
219 H GLU 30 H GLU 30 4.377 19.160 15.085
220 HA GLU 30 HA GLU 30 2.890 16.800 14.280
221 HB2 GLU 30 2HB GLU 30 1.729 17.091 16.482
222 HB3 GLU 30 1HB GLU 30 3.462 16.829 16.579
223 HG2 GLU 30 2HG GLU 30 3.337 18.516 18.050
224 HG3 GLU 30 1HG GLU 30 3.427 19.502 16.594
225 H SER 31 H SER 31 2.552 20.214 14.070
226 HA SER 31 HA SER 31 -0.312 20.119 13.735
227 HB2 SER 31 2HB SER 31 1.684 22.334 13.227
228 HB3 SER 31 1HB SER 31 -0.062 22.511 13.065
229 HG SER 31 HG SER 31 0.953 21.482 15.476
230 H VAL 32 H VAL 32 2.533 20.256 11.610
231 HA VAL 32 HA VAL 32 0.814 20.330 9.260
232 HB VAL 32 HB VAL 32 3.058 21.535 9.400
233 HG11 VAL 32 1HG1 VAL 32 4.388 19.725 10.344
234 HG12 VAL 32 2HG1 VAL 32 5.051 20.251 8.797
235 HG13 VAL 32 3HG1 VAL 32 4.117 18.759 8.895
236 HG21 VAL 32 3HG2 VAL 32 2.525 19.694 7.077
237 HG22 VAL 32 1HG2 VAL 32 3.585 21.102 7.035
238 HG23 VAL 32 2HG2 VAL 32 1.858 21.308 7.316
239 H GLY 33 H GLY 33 2.519 18.022 11.189
240 HA2 GLY 33 2HA GLY 33 2.387 15.730 11.209
241 HA3 GLY 33 1HA GLY 33 1.147 15.848 9.970
242 H LYS 34 H LYS 34 4.665 16.033 10.441
243 HA LYS 34 HA LYS 34 5.132 15.519 7.641
244 HB2 LYS 34 2HB LYS 34 7.046 15.694 9.970
245 HB3 LYS 34 1HB LYS 34 7.538 15.456 8.299
246 HG2 LYS 34 2HG LYS 34 6.497 17.601 7.703
247 HG3 LYS 34 1HG LYS 34 6.070 17.844 9.397
248 HD2 LYS 34 2HD LYS 34 8.075 19.082 8.917
249 HD3 LYS 34 1HD LYS 34 8.484 17.728 9.969
250 HE2 LYS 34 2HE LYS 34 10.140 17.991 8.199
251 HE3 LYS 34 1HE LYS 34 9.280 16.461 8.036
252 HZ1 LYS 34 3HZ LYS 34 8.578 18.915 6.519
253 HZ2 LYS 34 1HZ LYS 34 7.988 17.343 6.268
254 HZ3 LYS 34 2HZ LYS 34 9.607 17.709 5.923
255 H GLY 35 H GLY 35 6.698 13.786 10.340
256 HA2 GLY 35 2HA GLY 35 5.790 11.267 9.105
257 HA3 GLY 35 1HA GLY 35 7.505 11.542 9.344
258 H ALA 36 H ALA 36 6.963 12.944 11.920
259 HA ALA 36 HA ALA 36 7.636 10.994 13.680
260 HB1 ALA 36 1HB ALA 36 5.931 13.383 14.360
261 HB2 ALA 36 2HB ALA 36 7.685 13.402 14.164
262 HB3 ALA 36 3HB ALA 36 6.952 12.470 15.470
263 H VAL 37 H VAL 37 4.299 12.120 13.157
264 HA VAL 37 HA VAL 37 3.086 10.436 15.041
265 HB VAL 37 HB VAL 37 1.835 11.529 12.516
266 HG11 VAL 37 1HG1 VAL 37 0.601 10.699 15.141
267 HG12 VAL 37 2HG1 VAL 37 0.488 9.815 13.619
268 HG13 VAL 37 3HG1 VAL 37 -0.261 11.404 13.773
269 HG21 VAL 37 3HG2 VAL 37 1.150 13.442 13.899
270 HG22 VAL 37 1HG2 VAL 37 2.904 13.313 13.780
271 HG23 VAL 37 2HG2 VAL 37 2.080 12.790 15.248
272 H HIS 38 H HIS 38 3.535 10.040 11.540
273 HA HIS 38 HA HIS 38 2.159 7.590 11.317
274 HB2 HIS 38 2HB HIS 38 4.407 8.611 9.564
275 HB3 HIS 38 1HB HIS 38 3.270 7.335 9.151
276 HD1 HIS 38 1HD HIS 38 0.613 8.700 9.910
277 HD2 HIS 38 2HD HIS 38 3.701 10.571 7.834
278 HE1 HIS 38 1HE HIS 38 -0.462 10.592 8.648
279 HE2 HIS 38 2HE HIS 38 1.445 11.802 7.521
280 H ASP 39 H ASP 39 5.486 8.421 12.004
281 HA ASP 39 HA ASP 39 6.612 5.855 11.742
282 HB2 ASP 39 2HB ASP 39 8.009 7.829 11.752
283 HB3 ASP 39 1HB ASP 39 7.500 8.231 13.390
284 H VAL 40 H VAL 40 5.284 7.546 14.568
285 HA VAL 40 HA VAL 40 5.949 5.636 16.506
286 HB VAL 40 HB VAL 40 3.518 7.440 16.435
287 HG11 VAL 40 1HG1 VAL 40 4.791 6.009 18.768
288 HG12 VAL 40 2HG1 VAL 40 3.240 5.608 18.031
289 HG13 VAL 40 3HG1 VAL 40 3.450 7.150 18.860
290 HG21 VAL 40 3HG2 VAL 40 6.236 7.825 17.683
291 HG22 VAL 40 1HG2 VAL 40 4.859 8.910 17.876
292 HG23 VAL 40 2HG2 VAL 40 5.592 8.690 16.288
293 H LYS 41 H LYS 41 3.115 5.912 14.418
294 HA LYS 41 HA LYS 41 1.780 3.609 15.428
295 HB2 LYS 41 2HB LYS 41 0.977 5.657 13.890
296 HB3 LYS 41 1HB LYS 41 1.339 4.506 12.615
297 HG2 LYS 41 2HG LYS 41 -0.571 4.031 14.898
298 HG3 LYS 41 1HG LYS 41 -1.027 4.499 13.263
299 HD2 LYS 41 2HD LYS 41 0.419 1.960 14.014
300 HD3 LYS 41 1HD LYS 41 -1.304 2.091 13.665
301 HE2 LYS 41 2HE LYS 41 -0.845 2.758 11.399
302 HE3 LYS 41 1HE LYS 41 0.889 2.800 11.724
303 HZ1 LYS 41 3HZ LYS 41 0.269 0.770 10.583
304 HZ2 LYS 41 1HZ LYS 41 -0.844 0.382 11.806
305 HZ3 LYS 41 2HZ LYS 41 0.814 0.412 12.147
306 H ASP 42 H ASP 42 4.005 4.233 12.782
307 HA ASP 42 HA ASP 42 3.778 1.780 11.437
308 HB2 ASP 42 2HB ASP 42 4.743 3.701 10.357
309 HB3 ASP 42 1HB ASP 42 6.020 3.794 11.560
310 H VAL 43 H VAL 43 6.057 2.833 13.954
311 HA VAL 43 HA VAL 43 7.555 0.398 13.881
312 HB VAL 43 HB VAL 43 7.492 2.564 15.991
313 HG11 VAL 43 1HG1 VAL 43 9.460 0.315 15.563
314 HG12 VAL 43 2HG1 VAL 43 8.354 0.494 16.925
315 HG13 VAL 43 3HG1 VAL 43 9.668 1.647 16.701
316 HG21 VAL 43 3HG2 VAL 43 9.390 2.073 13.700
317 HG22 VAL 43 1HG2 VAL 43 9.575 3.317 14.936
318 HG23 VAL 43 2HG2 VAL 43 8.213 3.382 13.816
319 H LEU 44 H LEU 44 5.081 1.696 16.083
320 HA LEU 44 HA LEU 44 5.179 -0.535 17.854
321 HB2 LEU 44 2HB LEU 44 4.370 1.663 18.567
322 HB3 LEU 44 1HB LEU 44 3.021 1.539 17.452
323 HG LEU 44 HG LEU 44 2.169 -0.402 18.732
324 HD11 LEU 44 1HD1 LEU 44 3.098 -0.869 20.946
325 HD12 LEU 44 2HD1 LEU 44 4.422 0.250 20.624
326 HD13 LEU 44 3HD1 LEU 44 4.255 -1.219 19.660
327 HD21 LEU 44 3HD2 LEU 44 1.319 1.815 19.207
328 HD22 LEU 44 1HD2 LEU 44 2.642 2.102 20.339
329 HD23 LEU 44 2HD2 LEU 44 1.429 0.868 20.690
330 H ASP 45 H ASP 45 2.589 0.508 15.653
331 HA ASP 45 HA ASP 45 1.414 -2.133 15.753
332 HB2 ASP 45 2HB ASP 45 -0.058 -0.175 15.806
333 HB3 ASP 45 1HB ASP 45 0.558 0.343 14.242
334 H SER 46 H SER 46 3.119 -3.247 14.840
335 HA SER 46 HA SER 46 3.107 -3.261 11.917
336 HB2 SER 46 2HB SER 46 5.121 -2.013 12.556
337 HB3 SER 46 1HB SER 46 5.596 -3.308 13.652
338 HG SER 46 HG SER 46 5.581 -3.272 10.832
339 H VAL 47 H VAL 47 3.869 -4.854 14.962
340 HA VAL 47 HA VAL 47 4.117 -7.472 13.856
341 HB VAL 47 HB VAL 47 3.471 -6.709 16.710
342 HG11 VAL 47 1HG1 VAL 47 4.673 -9.217 15.538
343 HG12 VAL 47 2HG1 VAL 47 3.046 -9.055 16.201
344 HG13 VAL 47 3HG1 VAL 47 4.450 -8.890 17.257
345 HG21 VAL 47 3HG2 VAL 47 6.159 -7.132 15.402
346 HG22 VAL 47 1HG2 VAL 47 5.884 -6.893 17.127
347 HG23 VAL 47 2HG2 VAL 47 5.517 -5.597 15.990
348 H LEU 48 H LEU 48 2.366 -8.061 12.682
349 HA LEU 48 HA LEU 48 -0.234 -8.042 14.052
350 HB2 LEU 48 2HB LEU 48 0.347 -7.737 11.103
351 HB3 LEU 48 1HB LEU 48 -1.258 -7.915 11.785
352 HG LEU 48 HG LEU 48 0.620 -5.610 12.339
353 HD11 LEU 48 1HD1 LEU 48 -0.211 -5.582 10.053
354 HD12 LEU 48 2HD1 LEU 48 -0.968 -4.305 11.007
355 HD13 LEU 48 3HD1 LEU 48 -1.862 -5.780 10.637
356 HD21 LEU 48 3HD2 LEU 48 -0.849 -6.077 14.227
357 HD22 LEU 48 1HD2 LEU 48 -2.249 -6.082 13.152
358 HD23 LEU 48 2HD2 LEU 48 -1.341 -4.594 13.410
Start of MODEL 16
1 H1 SER 1 1HT SER 1 19.423 10.243 21.620
2 H2 SER 1 2HT SER 1 18.056 10.023 22.602
3 H3 SER 1 3HT SER 1 17.989 11.071 21.268
4 HA SER 1 HA SER 1 18.421 8.153 21.135
5 HB2 SER 1 2HB SER 1 15.959 9.796 20.482
6 HB3 SER 1 1HB SER 1 16.135 8.060 20.219
7 HG SER 1 HG SER 1 15.589 7.778 22.214
8 H SER 2 H SER 2 19.717 7.786 19.497
9 HA SER 2 HA SER 2 20.135 9.612 17.354
10 HB2 SER 2 2HB SER 2 20.909 6.692 17.386
11 HB3 SER 2 1HB SER 2 21.721 8.024 16.562
12 HG SER 2 HG SER 2 21.600 7.498 19.349
13 H LEU 3 H LEU 3 18.881 9.884 15.618
14 HA LEU 3 HA LEU 3 16.962 7.775 14.935
15 HB2 LEU 3 2HB LEU 3 17.107 10.660 14.060
16 HB3 LEU 3 1HB LEU 3 15.863 9.525 13.570
17 HG LEU 3 HG LEU 3 16.365 10.503 16.383
18 HD11 LEU 3 1HD1 LEU 3 14.108 11.046 14.462
19 HD12 LEU 3 2HD1 LEU 3 15.357 12.191 14.956
20 HD13 LEU 3 3HD1 LEU 3 14.192 11.590 16.137
21 HD21 LEU 3 3HD2 LEU 3 14.234 8.641 15.331
22 HD22 LEU 3 1HD2 LEU 3 14.336 9.276 16.974
23 HD23 LEU 3 2HD2 LEU 3 15.585 8.186 16.370
24 H LEU 4 H LEU 4 19.768 9.403 13.744
25 HA LEU 4 HA LEU 4 20.072 7.573 11.561
26 HB2 LEU 4 2HB LEU 4 18.451 9.511 10.838
27 HB3 LEU 4 1HB LEU 4 19.918 10.464 10.760
28 HG LEU 4 HG LEU 4 20.845 8.897 9.099
29 HD11 LEU 4 1HD1 LEU 4 19.369 7.225 8.073
30 HD12 LEU 4 2HD1 LEU 4 18.140 7.578 9.287
31 HD13 LEU 4 3HD1 LEU 4 19.682 6.875 9.773
32 HD21 LEU 4 3HD2 LEU 4 18.117 9.980 8.403
33 HD22 LEU 4 1HD2 LEU 4 19.379 9.535 7.252
34 HD23 LEU 4 2HD2 LEU 4 19.633 10.881 8.363
35 H GLU 5 H GLU 5 22.121 8.666 10.164
36 HA GLU 5 HA GLU 5 24.155 8.810 12.168
37 HB2 GLU 5 2HB GLU 5 25.764 8.816 10.399
38 HB3 GLU 5 1HB GLU 5 24.499 7.679 9.971
39 HG2 GLU 5 2HG GLU 5 24.784 10.469 8.885
40 HG3 GLU 5 1HG GLU 5 25.272 8.991 8.063
41 H LYS 6 H LYS 6 22.607 11.186 10.045
42 HA LYS 6 HA LYS 6 24.012 13.291 11.536
43 HB2 LYS 6 2HB LYS 6 22.130 13.446 9.178
44 HB3 LYS 6 1HB LYS 6 22.675 14.863 10.059
45 HG2 LYS 6 2HG LYS 6 24.190 14.877 8.379
46 HG3 LYS 6 1HG LYS 6 25.052 13.831 9.509
47 HD2 LYS 6 2HD LYS 6 25.096 12.893 7.267
48 HD3 LYS 6 1HD LYS 6 24.157 11.862 8.351
49 HE2 LYS 6 2HE LYS 6 22.091 12.966 7.506
50 HE3 LYS 6 1HE LYS 6 23.086 13.838 6.339
51 HZ1 LYS 6 3HZ LYS 6 22.877 10.886 6.525
52 HZ2 LYS 6 1HZ LYS 6 23.749 11.757 5.359
53 HZ3 LYS 6 2HZ LYS 6 22.054 11.845 5.400
54 H GLY 7 H GLY 7 21.435 11.348 11.942
55 HA2 GLY 7 2HA GLY 7 19.461 13.254 12.832
56 HA3 GLY 7 1HA GLY 7 19.352 11.502 12.943
57 H LEU 8 H LEU 8 21.620 13.889 14.208
58 HA LEU 8 HA LEU 8 20.720 13.655 16.906
59 HB2 LEU 8 2HB LEU 8 22.159 11.547 16.433
60 HB3 LEU 8 1HB LEU 8 23.519 12.648 16.392
61 HG LEU 8 HG LEU 8 21.696 12.331 18.783
62 HD11 LEU 8 1HD1 LEU 8 23.483 10.994 19.766
63 HD12 LEU 8 2HD1 LEU 8 24.390 11.086 18.257
64 HD13 LEU 8 3HD1 LEU 8 22.845 10.235 18.305
65 HD21 LEU 8 3HD2 LEU 8 23.501 13.439 19.998
66 HD22 LEU 8 1HD2 LEU 8 22.897 14.466 18.700
67 HD23 LEU 8 2HD2 LEU 8 24.421 13.602 18.502
68 H ASP 9 H ASP 9 23.894 14.168 15.398
69 HA ASP 9 HA ASP 9 24.327 16.642 16.722
70 HB2 ASP 9 2HB ASP 9 26.217 15.281 16.092
71 HB3 ASP 9 1HB ASP 9 25.754 15.345 14.395
72 H GLY 10 H GLY 10 23.391 15.780 13.416
73 HA2 GLY 10 2HA GLY 10 23.463 18.446 12.431
74 HA3 GLY 10 1HA GLY 10 22.714 17.068 11.641
75 H ALA 11 H ALA 11 21.195 16.774 14.331
76 HA ALA 11 HA ALA 11 18.956 18.430 13.456
77 HB1 ALA 11 1HB ALA 11 18.572 16.022 13.748
78 HB2 ALA 11 2HB ALA 11 17.573 16.982 14.837
79 HB3 ALA 11 3HB ALA 11 19.009 16.165 15.449
80 H LYS 12 H LYS 12 21.412 18.459 15.754
81 HA LYS 12 HA LYS 12 19.996 20.500 17.325
82 HB2 LYS 12 2HB LYS 12 21.676 18.243 18.449
83 HB3 LYS 12 1HB LYS 12 21.131 19.628 19.382
84 HG2 LYS 12 2HG LYS 12 19.329 17.623 18.040
85 HG3 LYS 12 1HG LYS 12 19.754 17.627 19.752
86 HD2 LYS 12 2HD LYS 12 18.336 19.866 18.304
87 HD3 LYS 12 1HD LYS 12 17.546 18.654 19.312
88 HE2 LYS 12 2HE LYS 12 18.772 19.432 21.257
89 HE3 LYS 12 1HE LYS 12 19.661 20.585 20.262
90 HZ1 LYS 12 3HZ LYS 12 17.584 21.721 19.778
91 HZ2 LYS 12 1HZ LYS 12 17.855 21.659 21.452
92 HZ3 LYS 12 2HZ LYS 12 16.725 20.615 20.736
93 H LYS 13 H LYS 13 21.786 20.782 15.157
94 HA LYS 13 HA LYS 13 24.494 20.964 15.892
95 HB2 LYS 13 2HB LYS 13 23.817 20.701 13.587
96 HB3 LYS 13 1HB LYS 13 22.969 22.238 13.624
97 HG2 LYS 13 2HG LYS 13 25.117 22.337 12.431
98 HG3 LYS 13 1HG LYS 13 25.042 23.442 13.803
99 HD2 LYS 13 2HD LYS 13 26.381 21.961 15.138
100 HD3 LYS 13 1HD LYS 13 26.322 20.713 13.890
101 HE2 LYS 13 2HE LYS 13 27.520 23.442 13.451
102 HE3 LYS 13 1HE LYS 13 28.456 22.048 13.991
103 HZ1 LYS 13 3HZ LYS 13 28.471 22.478 11.531
104 HZ2 LYS 13 1HZ LYS 13 26.836 22.030 11.506
105 HZ3 LYS 13 2HZ LYS 13 28.008 20.909 11.990
106 H ALA 14 H ALA 14 24.723 22.125 17.753
107 HA ALA 14 HA ALA 14 25.128 23.916 19.077
108 HB1 ALA 14 1HB ALA 14 26.159 25.833 18.007
109 HB2 ALA 14 2HB ALA 14 25.537 25.315 16.439
110 HB3 ALA 14 3HB ALA 14 26.737 24.333 17.279
111 H VAL 15 H VAL 15 22.312 23.545 18.070
112 HA VAL 15 HA VAL 15 20.305 24.593 17.889
113 HB VAL 15 HB VAL 15 21.601 26.764 19.561
114 HG11 VAL 15 1HG1 VAL 15 19.314 27.337 20.208
115 HG12 VAL 15 2HG1 VAL 15 18.689 26.096 19.123
116 HG13 VAL 15 3HG1 VAL 15 19.539 27.494 18.465
117 HG21 VAL 15 3HG2 VAL 15 19.993 24.365 20.434
118 HG22 VAL 15 1HG2 VAL 15 20.618 25.637 21.483
119 HG23 VAL 15 2HG2 VAL 15 21.733 24.566 20.635
120 H GLY 16 H GLY 16 20.088 25.048 15.785
121 HA2 GLY 16 2HA GLY 16 21.906 26.829 14.455
122 HA3 GLY 16 1HA GLY 16 20.603 25.922 13.712
123 H GLY 17 H GLY 17 20.549 28.384 16.268
124 HA2 GLY 17 2HA GLY 17 18.549 29.859 14.720
125 HA3 GLY 17 1HA GLY 17 18.958 30.126 16.411
126 H LEU 18 H LEU 18 21.887 29.905 15.297
127 HA LEU 18 HA LEU 18 22.169 32.763 15.044
128 HB2 LEU 18 2HB LEU 18 24.551 32.417 15.168
129 HB3 LEU 18 1HB LEU 18 23.755 31.508 16.431
130 HG LEU 18 HG LEU 18 24.674 30.223 13.860
131 HD11 LEU 18 1HD1 LEU 18 26.598 31.270 14.935
132 HD12 LEU 18 2HD1 LEU 18 26.674 29.514 15.075
133 HD13 LEU 18 3HD1 LEU 18 26.181 30.487 16.459
134 HD21 LEU 18 3HD2 LEU 18 24.065 29.104 16.597
135 HD22 LEU 18 1HD2 LEU 18 24.623 28.178 15.202
136 HD23 LEU 18 2HD2 LEU 18 23.041 28.958 15.169
137 H GLY 19 H GLY 19 21.249 33.272 13.103
138 HA2 GLY 19 2HA GLY 19 21.575 33.996 10.928
139 HA3 GLY 19 1HA GLY 19 23.056 33.060 10.870
140 H LYS 20 H LYS 20 21.933 30.527 11.502
141 HA LYS 20 HA LYS 20 21.246 29.738 8.870
142 HB2 LYS 20 2HB LYS 20 20.943 28.083 11.380
143 HB3 LYS 20 1HB LYS 20 21.133 27.495 9.734
144 HG2 LYS 20 2HG LYS 20 23.201 28.907 11.406
145 HG3 LYS 20 1HG LYS 20 23.202 27.216 10.906
146 HD2 LYS 20 2HD LYS 20 23.332 29.566 9.016
147 HD3 LYS 20 1HD LYS 20 24.733 28.651 9.575
148 HE2 LYS 20 2HE LYS 20 22.401 27.484 8.059
149 HE3 LYS 20 1HE LYS 20 23.933 27.965 7.335
150 HZ1 LYS 20 3HZ LYS 20 25.055 26.331 8.730
151 HZ2 LYS 20 1HZ LYS 20 23.874 25.595 7.762
152 HZ3 LYS 20 2HZ LYS 20 23.574 25.865 9.405
153 H LEU 21 H LEU 21 19.356 29.248 11.852
154 HA LEU 21 HA LEU 21 17.179 29.620 12.362
155 HB2 LEU 21 2HB LEU 21 16.987 30.825 9.608
156 HB3 LEU 21 1HB LEU 21 15.707 30.857 10.805
157 HG LEU 21 HG LEU 21 18.415 32.164 11.112
158 HD11 LEU 21 1HD1 LEU 21 17.186 34.262 10.891
159 HD12 LEU 21 2HD1 LEU 21 15.701 33.363 10.575
160 HD13 LEU 21 3HD1 LEU 21 17.045 33.276 9.435
161 HD21 LEU 21 3HD2 LEU 21 17.438 33.198 13.101
162 HD22 LEU 21 1HD2 LEU 21 17.477 31.441 13.243
163 HD23 LEU 21 2HD2 LEU 21 15.962 32.261 12.865
164 H GLY 22 H GLY 22 17.592 28.426 9.049
165 HA2 GLY 22 2HA GLY 22 15.179 27.288 8.545
166 HA3 GLY 22 1HA GLY 22 16.690 26.613 7.968
167 H LYS 23 H LYS 23 17.818 25.609 10.270
168 HA LYS 23 HA LYS 23 16.418 23.172 10.528
169 HB2 LYS 23 2HB LYS 23 18.710 24.309 12.134
170 HB3 LYS 23 1HB LYS 23 18.104 22.669 12.322
171 HG2 LYS 23 2HG LYS 23 19.267 23.826 9.792
172 HG3 LYS 23 1HG LYS 23 20.102 22.751 10.916
173 HD2 LYS 23 2HD LYS 23 18.453 21.003 10.482
174 HD3 LYS 23 1HD LYS 23 17.593 22.079 9.379
175 HE2 LYS 23 2HE LYS 23 19.611 22.190 7.964
176 HE3 LYS 23 1HE LYS 23 20.406 21.046 9.044
177 HZ1 LYS 23 3HZ LYS 23 17.899 20.487 7.555
178 HZ2 LYS 23 1HZ LYS 23 18.789 19.385 8.487
179 HZ3 LYS 23 2HZ LYS 23 19.443 20.000 7.047
180 H ASP 24 H ASP 24 16.949 25.794 12.869
181 HA ASP 24 HA ASP 24 15.508 24.618 14.980
182 HB2 ASP 24 2HB ASP 24 17.151 26.440 15.274
183 HB3 ASP 24 1HB ASP 24 16.054 27.552 14.464
184 H ALA 25 H ALA 25 14.510 26.485 12.229
185 HA ALA 25 HA ALA 25 11.940 27.171 13.323
186 HB1 ALA 25 1HB ALA 25 13.094 28.656 11.762
187 HB2 ALA 25 2HB ALA 25 11.502 28.184 11.161
188 HB3 ALA 25 3HB ALA 25 12.956 27.431 10.501
189 H VAL 26 H VAL 26 13.184 24.350 11.926
190 HA VAL 26 HA VAL 26 10.465 23.558 11.110
191 HB VAL 26 HB VAL 26 12.068 23.619 9.229
192 HG11 VAL 26 1HG1 VAL 26 13.455 21.373 10.683
193 HG12 VAL 26 2HG1 VAL 26 14.113 22.981 10.367
194 HG13 VAL 26 3HG1 VAL 26 13.780 21.884 9.026
195 HG21 VAL 26 3HG2 VAL 26 10.124 22.179 9.117
196 HG22 VAL 26 1HG2 VAL 26 11.009 20.888 9.930
197 HG23 VAL 26 2HG2 VAL 26 11.499 21.414 8.321
198 H GLU 27 H GLU 27 13.317 22.629 12.931
199 HA GLU 27 HA GLU 27 12.744 19.952 13.397
200 HB2 GLU 27 2HB GLU 27 14.127 20.196 15.460
201 HB3 GLU 27 1HB GLU 27 14.885 20.829 14.007
202 HG2 GLU 27 2HG GLU 27 14.319 23.090 14.663
203 HG3 GLU 27 1HG GLU 27 13.478 22.486 16.088
204 H ASP 28 H ASP 28 11.777 22.761 15.352
205 HA ASP 28 HA ASP 28 10.330 21.254 17.268
206 HB2 ASP 28 2HB ASP 28 11.149 23.512 17.753
207 HB3 ASP 28 1HB ASP 28 10.096 24.179 16.510
208 H LEU 29 H LEU 29 9.530 22.659 14.192
209 HA LEU 29 HA LEU 29 6.726 22.733 14.433
210 HB2 LEU 29 2HB LEU 29 7.904 24.007 12.746
211 HB3 LEU 29 1HB LEU 29 8.501 22.538 12.001
212 HG LEU 29 HG LEU 29 6.152 21.931 11.425
213 HD11 LEU 29 1HD1 LEU 29 5.558 24.720 12.397
214 HD12 LEU 29 2HD1 LEU 29 5.010 23.220 13.146
215 HD13 LEU 29 3HD1 LEU 29 4.438 23.664 11.537
216 HD21 LEU 29 3HD2 LEU 29 5.952 23.546 9.601
217 HD22 LEU 29 1HD2 LEU 29 7.615 22.994 9.800
218 HD23 LEU 29 2HD2 LEU 29 7.137 24.586 10.394
219 H GLU 30 H GLU 30 8.930 20.229 13.231
220 HA GLU 30 HA GLU 30 6.681 18.548 12.476
221 HB2 GLU 30 2HB GLU 30 8.430 17.000 11.640
222 HB3 GLU 30 1HB GLU 30 8.534 18.610 10.944
223 HG2 GLU 30 2HG GLU 30 10.352 19.154 12.500
224 HG3 GLU 30 1HG GLU 30 10.260 17.521 13.158
225 H SER 31 H SER 31 9.019 18.803 15.040
226 HA SER 31 HA SER 31 8.793 16.097 15.935
227 HB2 SER 31 2HB SER 31 10.802 17.571 16.289
228 HB3 SER 31 1HB SER 31 9.859 18.478 17.470
229 HG SER 31 HG SER 31 10.472 15.697 17.596
230 H VAL 32 H VAL 32 6.912 18.934 16.417
231 HA VAL 32 HA VAL 32 5.935 18.196 19.029
232 HB VAL 32 HB VAL 32 6.211 20.558 18.279
233 HG11 VAL 32 1HG1 VAL 32 4.458 21.584 16.905
234 HG12 VAL 32 2HG1 VAL 32 3.790 19.983 16.588
235 HG13 VAL 32 3HG1 VAL 32 5.407 20.394 16.016
236 HG21 VAL 32 3HG2 VAL 32 3.440 19.796 19.188
237 HG22 VAL 32 1HG2 VAL 32 4.157 21.403 19.321
238 HG23 VAL 32 2HG2 VAL 32 4.849 20.051 20.218
239 H GLY 33 H GLY 33 5.529 16.183 17.038
240 HA2 GLY 33 2HA GLY 33 3.840 14.555 17.048
241 HA3 GLY 33 1HA GLY 33 2.690 15.781 17.551
242 H LYS 34 H LYS 34 4.813 16.229 14.794
243 HA LYS 34 HA LYS 34 2.439 16.164 13.081
244 HB2 LYS 34 2HB LYS 34 5.043 17.598 12.933
245 HB3 LYS 34 1HB LYS 34 4.270 17.160 11.416
246 HG2 LYS 34 2HG LYS 34 3.683 19.422 12.073
247 HG3 LYS 34 1HG LYS 34 2.263 18.380 12.070
248 HD2 LYS 34 2HD LYS 34 2.456 18.147 14.512
249 HD3 LYS 34 1HD LYS 34 3.846 19.234 14.492
250 HE2 LYS 34 2HE LYS 34 1.072 19.951 13.544
251 HE3 LYS 34 1HE LYS 34 1.738 20.371 15.121
252 HZ1 LYS 34 3HZ LYS 34 2.970 21.206 12.557
253 HZ2 LYS 34 1HZ LYS 34 3.359 21.756 14.111
254 HZ3 LYS 34 2HZ LYS 34 1.868 22.163 13.416
255 H GLY 35 H GLY 35 5.868 15.437 12.436
256 HA2 GLY 35 2HA GLY 35 5.053 13.420 10.539
257 HA3 GLY 35 1HA GLY 35 6.698 13.926 10.887
258 H ALA 36 H ALA 36 6.543 13.497 13.718
259 HA ALA 36 HA ALA 36 7.652 10.991 13.875
260 HB1 ALA 36 1HB ALA 36 7.907 12.748 15.573
261 HB2 ALA 36 2HB ALA 36 7.484 11.190 16.281
262 HB3 ALA 36 3HB ALA 36 6.257 12.445 16.117
263 H VAL 37 H VAL 37 4.274 11.866 14.525
264 HA VAL 37 HA VAL 37 3.486 9.389 15.588
265 HB VAL 37 HB VAL 37 2.173 11.449 15.868
266 HG11 VAL 37 1HG1 VAL 37 1.448 11.081 12.967
267 HG12 VAL 37 2HG1 VAL 37 2.397 12.401 13.652
268 HG13 VAL 37 3HG1 VAL 37 0.692 12.228 14.074
269 HG21 VAL 37 3HG2 VAL 37 1.095 9.315 16.270
270 HG22 VAL 37 1HG2 VAL 37 0.648 9.195 14.567
271 HG23 VAL 37 2HG2 VAL 37 -0.054 10.460 15.577
272 H HIS 38 H HIS 38 4.016 10.389 12.312
273 HA HIS 38 HA HIS 38 2.332 8.425 11.083
274 HB2 HIS 38 2HB HIS 38 4.680 9.935 9.917
275 HB3 HIS 38 1HB HIS 38 3.522 8.983 8.997
276 HD1 HIS 38 1HD HIS 38 4.178 12.187 8.929
277 HD2 HIS 38 2HD HIS 38 0.789 10.275 10.407
278 HE1 HIS 38 1HE HIS 38 2.341 13.909 8.869
279 HE2 HIS 38 2HE HIS 38 0.349 12.785 9.925
280 H ASP 39 H ASP 39 5.761 8.619 11.912
281 HA ASP 39 HA ASP 39 6.371 6.032 10.822
282 HB2 ASP 39 2HB ASP 39 7.934 7.839 12.677
283 HB3 ASP 39 1HB ASP 39 8.550 6.324 12.023
284 H VAL 40 H VAL 40 5.783 7.370 14.038
285 HA VAL 40 HA VAL 40 6.295 5.068 15.539
286 HB VAL 40 HB VAL 40 4.344 7.312 16.102
287 HG11 VAL 40 1HG1 VAL 40 3.712 5.350 17.398
288 HG12 VAL 40 2HG1 VAL 40 4.422 6.578 18.446
289 HG13 VAL 40 3HG1 VAL 40 5.371 5.171 17.968
290 HG21 VAL 40 3HG2 VAL 40 7.143 6.798 17.108
291 HG22 VAL 40 1HG2 VAL 40 6.099 8.140 17.581
292 HG23 VAL 40 2HG2 VAL 40 6.674 8.016 15.919
293 H LYS 41 H LYS 41 3.343 6.140 13.915
294 HA LYS 41 HA LYS 41 1.522 4.287 14.853
295 HB2 LYS 41 2HB LYS 41 1.107 6.219 13.265
296 HB3 LYS 41 1HB LYS 41 1.702 5.189 11.975
297 HG2 LYS 41 2HG LYS 41 -0.601 4.987 11.812
298 HG3 LYS 41 1HG LYS 41 -0.130 3.544 12.711
299 HD2 LYS 41 2HD LYS 41 -0.937 6.049 14.145
300 HD3 LYS 41 1HD LYS 41 -2.156 4.939 13.523
301 HE2 LYS 41 2HE LYS 41 0.083 4.032 15.310
302 HE3 LYS 41 1HE LYS 41 -1.439 4.648 15.949
303 HZ1 LYS 41 3HZ LYS 41 -1.081 2.264 14.200
304 HZ2 LYS 41 1HZ LYS 41 -2.585 2.908 14.655
305 HZ3 LYS 41 2HZ LYS 41 -1.548 2.276 15.830
306 H ASP 42 H ASP 42 3.698 3.969 12.060
307 HA ASP 42 HA ASP 42 2.867 1.366 11.344
308 HB2 ASP 42 2HB ASP 42 3.916 2.673 9.669
309 HB3 ASP 42 1HB ASP 42 5.317 2.991 10.686
310 H VAL 43 H VAL 43 5.714 2.509 13.145
311 HA VAL 43 HA VAL 43 6.868 -0.048 13.476
312 HB VAL 43 HB VAL 43 7.260 2.419 15.185
313 HG11 VAL 43 1HG1 VAL 43 8.986 -0.037 14.874
314 HG12 VAL 43 2HG1 VAL 43 8.035 0.387 16.298
315 HG13 VAL 43 3HG1 VAL 43 9.395 1.400 15.809
316 HG21 VAL 43 3HG2 VAL 43 7.752 2.856 12.845
317 HG22 VAL 43 1HG2 VAL 43 8.783 1.425 12.774
318 HG23 VAL 43 2HG2 VAL 43 9.245 2.798 13.781
319 H LEU 44 H LEU 44 4.786 1.897 15.602
320 HA LEU 44 HA LEU 44 4.928 0.168 17.831
321 HB2 LEU 44 2HB LEU 44 4.214 2.528 17.942
322 HB3 LEU 44 1HB LEU 44 2.749 2.118 17.074
323 HG LEU 44 HG LEU 44 2.094 0.643 18.966
324 HD11 LEU 44 1HD1 LEU 44 4.473 1.892 20.337
325 HD12 LEU 44 2HD1 LEU 44 4.336 0.204 19.841
326 HD13 LEU 44 3HD1 LEU 44 3.265 0.844 21.088
327 HD21 LEU 44 3HD2 LEU 44 2.636 3.526 19.667
328 HD22 LEU 44 1HD2 LEU 44 1.470 2.471 20.469
329 HD23 LEU 44 2HD2 LEU 44 1.240 2.918 18.779
330 H ASP 45 H ASP 45 2.841 0.240 15.007
331 HA ASP 45 HA ASP 45 1.047 -1.767 16.020
332 HB2 ASP 45 2HB ASP 45 1.453 -0.580 13.277
333 HB3 ASP 45 1HB ASP 45 0.299 -1.872 13.584
334 H SER 46 H SER 46 4.048 -1.727 14.300
335 HA SER 46 HA SER 46 3.779 -4.396 13.267
336 HB2 SER 46 2HB SER 46 5.157 -2.550 12.194
337 HB3 SER 46 1HB SER 46 6.326 -2.777 13.497
338 HG SER 46 HG SER 46 5.831 -4.316 11.269
339 H VAL 47 H VAL 47 5.829 -2.873 15.779
340 HA VAL 47 HA VAL 47 6.021 -5.498 17.080
341 HB VAL 47 HB VAL 47 8.050 -5.238 15.745
342 HG11 VAL 47 1HG1 VAL 47 8.493 -2.701 17.313
343 HG12 VAL 47 2HG1 VAL 47 8.148 -2.822 15.587
344 HG13 VAL 47 3HG1 VAL 47 9.666 -3.451 16.232
345 HG21 VAL 47 3HG2 VAL 47 8.558 -4.901 18.699
346 HG22 VAL 47 1HG2 VAL 47 9.716 -5.526 17.526
347 HG23 VAL 47 2HG2 VAL 47 8.232 -6.417 17.861
348 H LEU 48 H LEU 48 6.091 -5.462 19.284
349 HA LEU 48 HA LEU 48 6.704 -3.134 20.809
350 HB2 LEU 48 2HB LEU 48 4.427 -2.531 20.070
351 HB3 LEU 48 1HB LEU 48 3.817 -4.032 20.739
352 HG LEU 48 HG LEU 48 4.539 -3.261 22.996
353 HD11 LEU 48 1HD1 LEU 48 5.061 -0.664 21.557
354 HD12 LEU 48 2HD1 LEU 48 6.272 -1.692 22.322
355 HD13 LEU 48 3HD1 LEU 48 5.050 -0.891 23.307
356 HD21 LEU 48 3HD2 LEU 48 2.624 -1.459 21.526
357 HD22 LEU 48 1HD2 LEU 48 2.706 -1.671 23.275
358 HD23 LEU 48 2HD2 LEU 48 2.235 -3.022 22.244
Start of MODEL 17
1 H1 SER 1 1HT SER 1 9.055 61.099 7.157
2 H2 SER 1 2HT SER 1 8.544 60.811 8.751
3 H3 SER 1 3HT SER 1 7.953 59.853 7.484
4 HA SER 1 HA SER 1 10.747 59.963 8.438
5 HB2 SER 1 2HB SER 1 8.700 57.728 8.554
6 HB3 SER 1 1HB SER 1 10.342 57.680 9.199
7 HG SER 1 HG SER 1 9.649 58.635 10.926
8 H SER 2 H SER 2 12.233 58.747 7.252
9 HA SER 2 HA SER 2 11.847 58.592 4.479
10 HB2 SER 2 2HB SER 2 13.887 57.107 6.160
11 HB3 SER 2 1HB SER 2 13.990 57.412 4.427
12 HG SER 2 HG SER 2 14.125 59.275 6.559
13 H LEU 3 H LEU 3 10.637 57.244 3.363
14 HA LEU 3 HA LEU 3 9.597 54.847 4.580
15 HB2 LEU 3 2HB LEU 3 8.421 54.639 2.321
16 HB3 LEU 3 1HB LEU 3 7.991 55.981 3.361
17 HG LEU 3 HG LEU 3 9.607 57.385 1.963
18 HD11 LEU 3 1HD1 LEU 3 10.026 56.609 -0.311
19 HD12 LEU 3 2HD1 LEU 3 9.309 55.047 0.081
20 HD13 LEU 3 3HD1 LEU 3 10.800 55.554 0.873
21 HD21 LEU 3 3HD2 LEU 3 7.125 56.247 0.687
22 HD22 LEU 3 1HD2 LEU 3 7.919 57.754 0.232
23 HD23 LEU 3 2HD2 LEU 3 7.193 57.589 1.830
24 H LEU 4 H LEU 4 12.484 55.150 3.705
25 HA LEU 4 HA LEU 4 12.898 53.049 1.802
26 HB2 LEU 4 2HB LEU 4 14.745 54.439 3.743
27 HB3 LEU 4 1HB LEU 4 15.280 53.149 2.686
28 HG LEU 4 HG LEU 4 15.928 55.181 1.659
29 HD11 LEU 4 1HD1 LEU 4 13.422 54.189 0.318
30 HD12 LEU 4 2HD1 LEU 4 15.054 53.552 0.107
31 HD13 LEU 4 3HD1 LEU 4 14.666 55.184 -0.438
32 HD21 LEU 4 3HD2 LEU 4 13.091 56.144 2.012
33 HD22 LEU 4 1HD2 LEU 4 14.365 57.000 1.142
34 HD23 LEU 4 2HD2 LEU 4 14.511 56.730 2.879
35 H GLU 5 H GLU 5 14.836 51.442 3.044
36 HA GLU 5 HA GLU 5 13.111 49.512 4.167
37 HB2 GLU 5 2HB GLU 5 16.131 49.581 4.201
38 HB3 GLU 5 1HB GLU 5 15.131 48.169 4.509
39 HG2 GLU 5 2HG GLU 5 15.378 49.675 1.915
40 HG3 GLU 5 1HG GLU 5 15.994 48.063 2.277
41 H LYS 6 H LYS 6 14.379 52.196 5.661
42 HA LYS 6 HA LYS 6 14.728 50.976 8.280
43 HB2 LYS 6 2HB LYS 6 15.055 53.784 7.246
44 HB3 LYS 6 1HB LYS 6 15.011 53.454 8.971
45 HG2 LYS 6 2HG LYS 6 17.286 53.583 8.316
46 HG3 LYS 6 1HG LYS 6 16.928 51.891 8.651
47 HD2 LYS 6 2HD LYS 6 18.269 52.051 6.659
48 HD3 LYS 6 1HD LYS 6 16.646 51.512 6.230
49 HE2 LYS 6 2HE LYS 6 17.415 53.155 4.640
50 HE3 LYS 6 1HE LYS 6 16.080 53.819 5.581
51 HZ1 LYS 6 3HZ LYS 6 18.973 54.400 5.927
52 HZ2 LYS 6 1HZ LYS 6 17.763 54.940 6.987
53 HZ3 LYS 6 2HZ LYS 6 17.770 55.464 5.380
54 H GLY 7 H GLY 7 12.225 52.305 6.415
55 HA2 GLY 7 2HA GLY 7 10.551 52.592 8.840
56 HA3 GLY 7 1HA GLY 7 10.406 53.684 7.470
57 H LEU 8 H LEU 8 10.560 51.943 5.367
58 HA LEU 8 HA LEU 8 8.247 50.166 5.766
59 HB2 LEU 8 2HB LEU 8 7.760 52.031 4.247
60 HB3 LEU 8 1HB LEU 8 9.148 51.606 3.264
61 HG LEU 8 HG LEU 8 8.040 49.415 2.770
62 HD11 LEU 8 1HD1 LEU 8 5.661 50.716 4.088
63 HD12 LEU 8 2HD1 LEU 8 6.554 49.326 4.702
64 HD13 LEU 8 3HD1 LEU 8 5.651 49.195 3.195
65 HD21 LEU 8 3HD2 LEU 8 6.449 50.352 1.160
66 HD22 LEU 8 1HD2 LEU 8 7.966 51.252 1.184
67 HD23 LEU 8 2HD2 LEU 8 6.539 51.908 1.986
68 H ASP 9 H ASP 9 9.091 48.183 6.046
69 HA ASP 9 HA ASP 9 11.608 47.491 4.807
70 HB2 ASP 9 2HB ASP 9 11.236 46.761 7.092
71 HB3 ASP 9 1HB ASP 9 9.781 45.892 6.608
72 H GLY 10 H GLY 10 11.726 46.771 2.833
73 HA2 GLY 10 2HA GLY 10 9.652 44.870 1.919
74 HA3 GLY 10 1HA GLY 10 10.639 45.860 0.842
75 H ALA 11 H ALA 11 12.778 45.253 3.029
76 HA ALA 11 HA ALA 11 14.301 43.468 1.554
77 HB1 ALA 11 1HB ALA 11 15.213 45.027 3.207
78 HB2 ALA 11 2HB ALA 11 15.786 43.382 3.473
79 HB3 ALA 11 3HB ALA 11 14.524 44.053 4.504
80 H LYS 12 H LYS 12 12.202 42.803 4.365
81 HA LYS 12 HA LYS 12 13.003 40.035 4.446
82 HB2 LYS 12 2HB LYS 12 10.519 41.189 5.713
83 HB3 LYS 12 1HB LYS 12 11.399 39.749 6.189
84 HG2 LYS 12 2HG LYS 12 12.190 42.617 6.574
85 HG3 LYS 12 1HG LYS 12 11.846 41.403 7.803
86 HD2 LYS 12 2HD LYS 12 13.832 40.139 7.041
87 HD3 LYS 12 1HD LYS 12 14.198 41.451 5.919
88 HE2 LYS 12 2HE LYS 12 14.179 41.531 8.929
89 HE3 LYS 12 1HE LYS 12 15.541 41.797 7.847
90 HZ1 LYS 12 3HZ LYS 12 14.133 43.771 7.002
91 HZ2 LYS 12 1HZ LYS 12 14.937 43.922 8.491
92 HZ3 LYS 12 2HZ LYS 12 13.275 43.590 8.447
93 H LYS 13 H LYS 13 10.452 41.903 2.997
94 HA LYS 13 HA LYS 13 8.743 39.679 2.418
95 HB2 LYS 13 2HB LYS 13 8.743 42.507 1.352
96 HB3 LYS 13 1HB LYS 13 7.469 41.327 1.077
97 HG2 LYS 13 2HG LYS 13 7.002 41.242 3.452
98 HG3 LYS 13 1HG LYS 13 8.322 42.369 3.767
99 HD2 LYS 13 2HD LYS 13 6.329 43.642 3.819
100 HD3 LYS 13 1HD LYS 13 7.116 44.016 2.288
101 HE2 LYS 13 2HE LYS 13 4.935 41.956 2.557
102 HE3 LYS 13 1HE LYS 13 4.612 43.653 2.210
103 HZ1 LYS 13 3HZ LYS 13 6.031 41.678 0.515
104 HZ2 LYS 13 1HZ LYS 13 6.158 43.350 0.247
105 HZ3 LYS 13 2HZ LYS 13 4.650 42.589 0.150
106 H ALA 14 H ALA 14 11.173 41.506 0.639
107 HA ALA 14 HA ALA 14 10.561 40.394 -1.915
108 HB1 ALA 14 1HB ALA 14 11.710 42.542 -1.653
109 HB2 ALA 14 2HB ALA 14 12.637 41.424 -2.652
110 HB3 ALA 14 3HB ALA 14 13.109 41.708 -0.978
111 H VAL 15 H VAL 15 13.113 39.704 0.476
112 HA VAL 15 HA VAL 15 14.369 37.709 -1.096
113 HB VAL 15 HB VAL 15 15.454 38.963 0.784
114 HG11 VAL 15 1HG1 VAL 15 13.912 37.037 2.514
115 HG12 VAL 15 2HG1 VAL 15 13.696 38.787 2.443
116 HG13 VAL 15 3HG1 VAL 15 15.203 38.108 3.062
117 HG21 VAL 15 3HG2 VAL 15 16.507 36.999 -0.206
118 HG22 VAL 15 1HG2 VAL 15 15.636 35.955 0.917
119 HG23 VAL 15 2HG2 VAL 15 16.842 37.090 1.523
120 H GLY 16 H GLY 16 11.589 37.673 0.920
121 HA2 GLY 16 2HA GLY 16 11.590 34.808 1.301
122 HA3 GLY 16 1HA GLY 16 10.306 35.922 1.744
123 H GLY 17 H GLY 17 10.932 36.792 -1.288
124 HA2 GLY 17 2HA GLY 17 10.030 36.340 -3.348
125 HA3 GLY 17 1HA GLY 17 9.791 34.682 -2.811
126 H LEU 18 H LEU 18 7.898 34.125 -1.747
127 HA LEU 18 HA LEU 18 5.639 35.854 -2.426
128 HB2 LEU 18 2HB LEU 18 4.270 33.851 -2.186
129 HB3 LEU 18 1HB LEU 18 5.585 33.590 -3.313
130 HG LEU 18 HG LEU 18 5.874 32.707 -0.460
131 HD11 LEU 18 1HD1 LEU 18 3.749 31.783 -1.198
132 HD12 LEU 18 2HD1 LEU 18 4.973 30.519 -1.099
133 HD13 LEU 18 3HD1 LEU 18 4.504 31.177 -2.667
134 HD21 LEU 18 3HD2 LEU 18 7.332 31.029 -1.478
135 HD22 LEU 18 1HD2 LEU 18 7.839 32.661 -1.920
136 HD23 LEU 18 2HD2 LEU 18 6.956 31.667 -3.080
137 H GLY 19 H GLY 19 7.441 36.151 -0.058
138 HA2 GLY 19 2HA GLY 19 6.715 37.230 1.956
139 HA3 GLY 19 1HA GLY 19 5.302 36.184 1.962
140 H LYS 20 H LYS 20 7.918 34.373 1.126
141 HA LYS 20 HA LYS 20 9.409 33.005 2.136
142 HB2 LYS 20 2HB LYS 20 9.983 34.964 3.584
143 HB3 LYS 20 1HB LYS 20 8.791 34.400 4.745
144 HG2 LYS 20 2HG LYS 20 10.044 32.348 5.074
145 HG3 LYS 20 1HG LYS 20 11.220 32.853 3.859
146 HD2 LYS 20 2HD LYS 20 12.134 33.310 6.025
147 HD3 LYS 20 1HD LYS 20 11.720 34.848 5.267
148 HE2 LYS 20 2HE LYS 20 11.049 34.870 7.586
149 HE3 LYS 20 1HE LYS 20 9.620 34.886 6.556
150 HZ1 LYS 20 3HZ LYS 20 10.723 32.406 7.755
151 HZ2 LYS 20 1HZ LYS 20 9.207 32.616 7.016
152 HZ3 LYS 20 2HZ LYS 20 9.536 33.346 8.512
153 H LEU 21 H LEU 21 6.162 33.228 2.992
154 HA LEU 21 HA LEU 21 5.853 31.196 4.882
155 HB2 LEU 21 2HB LEU 21 4.083 32.481 2.875
156 HB3 LEU 21 1HB LEU 21 3.538 30.971 3.579
157 HG LEU 21 HG LEU 21 3.680 31.953 5.825
158 HD11 LEU 21 1HD1 LEU 21 4.062 34.350 6.105
159 HD12 LEU 21 2HD1 LEU 21 4.447 34.487 4.389
160 HD13 LEU 21 3HD1 LEU 21 5.485 33.538 5.451
161 HD21 LEU 21 3HD2 LEU 21 1.804 33.481 5.631
162 HD22 LEU 21 1HD2 LEU 21 1.588 32.096 4.560
163 HD23 LEU 21 2HD2 LEU 21 2.098 33.650 3.900
164 H GLY 22 H GLY 22 6.539 30.982 1.496
165 HA2 GLY 22 2HA GLY 22 5.732 28.318 1.029
166 HA3 GLY 22 1HA GLY 22 6.998 29.170 0.154
167 H LYS 23 H LYS 23 8.605 29.704 2.484
168 HA LYS 23 HA LYS 23 9.832 27.081 2.775
169 HB2 LYS 23 2HB LYS 23 10.768 29.857 3.508
170 HB3 LYS 23 1HB LYS 23 11.683 28.397 3.867
171 HG2 LYS 23 2HG LYS 23 10.884 29.338 1.118
172 HG3 LYS 23 1HG LYS 23 12.487 29.494 1.843
173 HD2 LYS 23 2HD LYS 23 12.638 27.049 2.004
174 HD3 LYS 23 1HD LYS 23 11.046 26.905 1.259
175 HE2 LYS 23 2HE LYS 23 13.444 28.193 -0.031
176 HE3 LYS 23 1HE LYS 23 12.915 26.539 -0.328
177 HZ1 LYS 23 3HZ LYS 23 11.432 29.033 -0.971
178 HZ2 LYS 23 1HZ LYS 23 10.769 27.477 -1.105
179 HZ3 LYS 23 2HZ LYS 23 12.091 27.921 -2.060
180 H ASP 24 H ASP 24 8.129 29.487 4.637
181 HA ASP 24 HA ASP 24 8.593 28.587 7.232
182 HB2 ASP 24 2HB ASP 24 6.301 29.976 5.910
183 HB3 ASP 24 1HB ASP 24 6.079 29.339 7.534
184 H ALA 25 H ALA 25 6.391 27.394 4.772
185 HA ALA 25 HA ALA 25 4.831 25.665 6.258
186 HB1 ALA 25 1HB ALA 25 5.844 25.215 3.454
187 HB2 ALA 25 2HB ALA 25 4.439 26.185 3.894
188 HB3 ALA 25 3HB ALA 25 4.439 24.446 4.192
189 H VAL 26 H VAL 26 8.001 25.025 4.795
190 HA VAL 26 HA VAL 26 8.155 22.299 5.463
191 HB VAL 26 HB VAL 26 10.433 24.269 5.150
192 HG11 VAL 26 1HG1 VAL 26 11.776 22.306 4.573
193 HG12 VAL 26 2HG1 VAL 26 10.398 21.263 4.924
194 HG13 VAL 26 3HG1 VAL 26 11.143 22.205 6.215
195 HG21 VAL 26 3HG2 VAL 26 10.536 23.501 2.830
196 HG22 VAL 26 1HG2 VAL 26 8.991 24.269 3.191
197 HG23 VAL 26 2HG2 VAL 26 9.101 22.511 3.092
198 H GLU 27 H GLU 27 9.417 25.175 7.114
199 HA GLU 27 HA GLU 27 10.619 23.795 9.259
200 HB2 GLU 27 2HB GLU 27 9.648 26.651 9.065
201 HB3 GLU 27 1HB GLU 27 10.662 26.027 10.357
202 HG2 GLU 27 2HG GLU 27 12.418 25.524 8.738
203 HG3 GLU 27 1HG GLU 27 11.400 26.144 7.440
204 H ASP 28 H ASP 28 7.521 25.535 9.036
205 HA ASP 28 HA ASP 28 6.851 25.222 11.757
206 HB2 ASP 28 2HB ASP 28 5.912 26.988 10.338
207 HB3 ASP 28 1HB ASP 28 5.048 25.780 9.393
208 H LEU 29 H LEU 29 6.188 23.234 8.936
209 HA LEU 29 HA LEU 29 4.089 21.717 10.064
210 HB2 LEU 29 2HB LEU 29 4.547 21.829 7.645
211 HB3 LEU 29 1HB LEU 29 6.024 20.920 7.890
212 HG LEU 29 HG LEU 29 4.691 18.987 8.668
213 HD11 LEU 29 1HD1 LEU 29 2.764 20.216 9.529
214 HD12 LEU 29 2HD1 LEU 29 2.271 18.994 8.357
215 HD13 LEU 29 3HD1 LEU 29 2.329 20.693 7.887
216 HD21 LEU 29 3HD2 LEU 29 3.900 20.081 5.972
217 HD22 LEU 29 1HD2 LEU 29 3.760 18.398 6.477
218 HD23 LEU 29 2HD2 LEU 29 5.350 19.146 6.331
219 H GLU 30 H GLU 30 7.601 21.139 9.927
220 HA GLU 30 HA GLU 30 7.226 18.657 11.406
221 HB2 GLU 30 2HB GLU 30 9.688 19.939 10.233
222 HB3 GLU 30 1HB GLU 30 9.704 18.426 11.130
223 HG2 GLU 30 2HG GLU 30 8.045 17.549 9.456
224 HG3 GLU 30 1HG GLU 30 8.354 19.005 8.511
225 H SER 31 H SER 31 8.018 21.930 12.051
226 HA SER 31 HA SER 31 9.499 21.516 14.437
227 HB2 SER 31 2HB SER 31 9.455 23.656 13.113
228 HB3 SER 31 1HB SER 31 7.830 23.940 13.733
229 HG SER 31 HG SER 31 9.876 23.377 15.568
230 H VAL 32 H VAL 32 6.117 21.441 13.679
231 HA VAL 32 HA VAL 32 5.383 21.542 16.501
232 HB VAL 32 HB VAL 32 3.054 21.437 15.743
233 HG11 VAL 32 1HG1 VAL 32 4.704 23.482 14.262
234 HG12 VAL 32 2HG1 VAL 32 4.154 23.604 15.934
235 HG13 VAL 32 3HG1 VAL 32 2.982 23.608 14.616
236 HG21 VAL 32 3HG2 VAL 32 4.220 21.328 12.962
237 HG22 VAL 32 1HG2 VAL 32 2.516 21.538 13.352
238 HG23 VAL 32 2HG2 VAL 32 3.336 20.034 13.770
239 H GLY 33 H GLY 33 6.697 19.284 14.677
240 HA2 GLY 33 2HA GLY 33 6.920 17.017 14.943
241 HA3 GLY 33 1HA GLY 33 5.931 17.165 16.387
242 H LYS 34 H LYS 34 5.236 17.701 12.925
243 HA LYS 34 HA LYS 34 2.985 15.831 13.246
244 HB2 LYS 34 2HB LYS 34 2.442 18.260 12.797
245 HB3 LYS 34 1HB LYS 34 3.189 18.062 11.218
246 HG2 LYS 34 2HG LYS 34 1.549 16.462 10.563
247 HG3 LYS 34 1HG LYS 34 0.875 16.406 12.191
248 HD2 LYS 34 2HD LYS 34 0.174 18.736 11.990
249 HD3 LYS 34 1HD LYS 34 0.878 18.817 10.373
250 HE2 LYS 34 2HE LYS 34 -1.576 18.475 10.361
251 HE3 LYS 34 1HE LYS 34 -0.680 17.190 9.552
252 HZ1 LYS 34 3HZ LYS 34 -0.922 15.814 11.526
253 HZ2 LYS 34 1HZ LYS 34 -2.441 16.308 10.962
254 HZ3 LYS 34 2HZ LYS 34 -1.759 17.054 12.322
255 H GLY 35 H GLY 35 5.871 15.408 12.431
256 HA2 GLY 35 2HA GLY 35 5.361 14.253 9.760
257 HA3 GLY 35 1HA GLY 35 6.949 14.702 10.366
258 H ALA 36 H ALA 36 7.207 13.560 12.733
259 HA ALA 36 HA ALA 36 7.513 10.792 12.015
260 HB1 ALA 36 1HB ALA 36 9.237 12.014 13.263
261 HB2 ALA 36 2HB ALA 36 8.687 10.582 14.134
262 HB3 ALA 36 3HB ALA 36 8.123 12.182 14.619
263 H VAL 37 H VAL 37 4.911 12.422 13.127
264 HA VAL 37 HA VAL 37 3.950 10.784 15.220
265 HB VAL 37 HB VAL 37 3.087 13.046 14.787
266 HG11 VAL 37 1HG1 VAL 37 1.481 13.442 12.978
267 HG12 VAL 37 2HG1 VAL 37 1.807 11.828 12.343
268 HG13 VAL 37 3HG1 VAL 37 3.088 13.042 12.365
269 HG21 VAL 37 3HG2 VAL 37 1.725 11.524 16.101
270 HG22 VAL 37 1HG2 VAL 37 0.971 10.898 14.634
271 HG23 VAL 37 2HG2 VAL 37 0.699 12.571 15.122
272 H HIS 38 H HIS 38 4.047 10.390 11.791
273 HA HIS 38 HA HIS 38 1.980 8.406 11.653
274 HB2 HIS 38 2HB HIS 38 2.395 9.623 9.644
275 HB3 HIS 38 1HB HIS 38 4.120 9.290 9.716
276 HD1 HIS 38 1HD HIS 38 0.868 7.350 9.236
277 HD2 HIS 38 2HD HIS 38 4.892 7.195 8.200
278 HE1 HIS 38 1HE HIS 38 1.088 5.410 7.655
279 HE2 HIS 38 2HE HIS 38 3.552 5.248 7.150
280 H ASP 39 H ASP 39 5.490 8.379 11.957
281 HA ASP 39 HA ASP 39 5.739 5.603 11.381
282 HB2 ASP 39 2HB ASP 39 7.626 7.700 12.374
283 HB3 ASP 39 1HB ASP 39 8.093 6.000 12.429
284 H VAL 40 H VAL 40 5.310 7.402 14.361
285 HA VAL 40 HA VAL 40 6.185 5.413 16.134
286 HB VAL 40 HB VAL 40 5.760 7.674 16.929
287 HG11 VAL 40 1HG1 VAL 40 2.841 7.086 16.453
288 HG12 VAL 40 2HG1 VAL 40 3.831 8.256 15.579
289 HG13 VAL 40 3HG1 VAL 40 3.477 8.502 17.290
290 HG21 VAL 40 3HG2 VAL 40 4.006 5.619 18.264
291 HG22 VAL 40 1HG2 VAL 40 4.536 7.133 19.000
292 HG23 VAL 40 2HG2 VAL 40 5.719 5.898 18.567
293 H LYS 41 H LYS 41 2.991 5.972 14.696
294 HA LYS 41 HA LYS 41 1.730 3.774 15.983
295 HB2 LYS 41 2HB LYS 41 0.428 5.634 15.092
296 HB3 LYS 41 1HB LYS 41 1.008 5.291 13.470
297 HG2 LYS 41 2HG LYS 41 -1.271 4.517 13.771
298 HG3 LYS 41 1HG LYS 41 -0.180 3.163 13.476
299 HD2 LYS 41 2HD LYS 41 -0.204 2.546 15.777
300 HD3 LYS 41 1HD LYS 41 -1.040 4.034 16.229
301 HE2 LYS 41 2HE LYS 41 -2.583 2.154 16.219
302 HE3 LYS 41 1HE LYS 41 -3.005 3.308 14.959
303 HZ1 LYS 41 3HZ LYS 41 -1.786 1.840 13.378
304 HZ2 LYS 41 1HZ LYS 41 -3.174 1.138 14.052
305 HZ3 LYS 41 2HZ LYS 41 -1.637 0.693 14.620
306 H ASP 42 H ASP 42 3.276 4.244 12.857
307 HA ASP 42 HA ASP 42 2.628 1.780 11.692
308 HB2 ASP 42 2HB ASP 42 3.449 3.546 10.314
309 HB3 ASP 42 1HB ASP 42 4.929 3.681 11.252
310 H VAL 43 H VAL 43 5.485 2.743 13.580
311 HA VAL 43 HA VAL 43 6.819 0.266 13.326
312 HB VAL 43 HB VAL 43 7.149 2.441 15.392
313 HG11 VAL 43 1HG1 VAL 43 9.284 1.380 15.957
314 HG12 VAL 43 2HG1 VAL 43 8.907 0.044 14.869
315 HG13 VAL 43 3HG1 VAL 43 7.922 0.314 16.307
316 HG21 VAL 43 3HG2 VAL 43 8.754 1.709 12.943
317 HG22 VAL 43 1HG2 VAL 43 9.153 2.988 14.091
318 HG23 VAL 43 2HG2 VAL 43 7.690 3.107 13.112
319 H LEU 44 H LEU 44 4.802 1.571 15.997
320 HA LEU 44 HA LEU 44 5.229 -0.660 17.676
321 HB2 LEU 44 2HB LEU 44 3.429 0.190 19.061
322 HB3 LEU 44 1HB LEU 44 4.503 1.479 18.573
323 HG LEU 44 HG LEU 44 2.717 1.960 16.742
324 HD11 LEU 44 1HD1 LEU 44 1.056 0.437 18.748
325 HD12 LEU 44 2HD1 LEU 44 1.381 -0.054 17.085
326 HD13 LEU 44 3HD1 LEU 44 0.436 1.401 17.406
327 HD21 LEU 44 3HD2 LEU 44 3.259 3.453 18.584
328 HD22 LEU 44 1HD2 LEU 44 2.204 2.533 19.658
329 HD23 LEU 44 2HD2 LEU 44 1.518 3.422 18.298
330 H ASP 45 H ASP 45 3.068 -0.149 15.038
331 HA ASP 45 HA ASP 45 1.307 -2.315 15.796
332 HB2 ASP 45 2HB ASP 45 1.038 -0.090 14.154
333 HB3 ASP 45 1HB ASP 45 1.109 -1.438 13.024
334 H SER 46 H SER 46 4.228 -1.925 14.062
335 HA SER 46 HA SER 46 3.848 -4.318 12.459
336 HB2 SER 46 2HB SER 46 6.228 -2.465 12.710
337 HB3 SER 46 1HB SER 46 6.080 -3.783 11.550
338 HG SER 46 HG SER 46 4.423 -1.471 11.728
339 H VAL 47 H VAL 47 4.889 -3.601 15.568
340 HA VAL 47 HA VAL 47 6.518 -6.047 15.650
341 HB VAL 47 HB VAL 47 7.881 -4.125 16.207
342 HG11 VAL 47 1HG1 VAL 47 7.429 -2.730 18.170
343 HG12 VAL 47 2HG1 VAL 47 5.887 -3.557 18.394
344 HG13 VAL 47 3HG1 VAL 47 6.164 -2.584 16.950
345 HG21 VAL 47 3HG2 VAL 47 8.710 -4.830 18.394
346 HG22 VAL 47 1HG2 VAL 47 8.336 -6.214 17.366
347 HG23 VAL 47 2HG2 VAL 47 7.230 -5.751 18.658
348 H LEU 48 H LEU 48 5.739 -7.684 16.744
349 HA LEU 48 HA LEU 48 3.313 -7.381 18.263
350 HB2 LEU 48 2HB LEU 48 3.325 -9.832 18.430
351 HB3 LEU 48 1HB LEU 48 3.448 -9.273 16.777
352 HG LEU 48 HG LEU 48 5.849 -10.188 18.357
353 HD11 LEU 48 1HD1 LEU 48 4.247 -12.018 18.261
354 HD12 LEU 48 2HD1 LEU 48 5.622 -12.332 17.202
355 HD13 LEU 48 3HD1 LEU 48 4.085 -11.799 16.519
356 HD21 LEU 48 3HD2 LEU 48 5.350 -9.925 15.395
357 HD22 LEU 48 1HD2 LEU 48 6.837 -10.501 16.147
358 HD23 LEU 48 2HD2 LEU 48 6.321 -8.831 16.377
Start of MODEL 18
1 H1 SER 1 1HT SER 1 -2.864 4.856 28.056
2 H2 SER 1 2HT SER 1 -2.925 6.222 29.069
3 H3 SER 1 3HT SER 1 -3.249 4.681 29.697
4 HA SER 1 HA SER 1 -1.036 5.501 30.282
5 HB2 SER 1 2HB SER 1 -1.141 3.080 28.470
6 HB3 SER 1 1HB SER 1 0.137 3.424 29.637
7 HG SER 1 HG SER 1 -1.075 2.638 31.145
8 H SER 2 H SER 2 1.109 5.916 29.594
9 HA SER 2 HA SER 2 2.770 6.709 28.277
10 HB2 SER 2 2HB SER 2 1.169 5.610 25.959
11 HB3 SER 2 1HB SER 2 2.871 6.071 25.927
12 HG SER 2 HG SER 2 2.755 4.424 27.898
13 H LEU 3 H LEU 3 -0.037 8.129 28.576
14 HA LEU 3 HA LEU 3 -0.006 9.984 26.371
15 HB2 LEU 3 2HB LEU 3 -2.029 9.264 27.811
16 HB3 LEU 3 1HB LEU 3 -1.421 10.395 29.001
17 HG LEU 3 HG LEU 3 -3.264 11.280 27.564
18 HD11 LEU 3 1HD1 LEU 3 -0.635 12.737 27.371
19 HD12 LEU 3 2HD1 LEU 3 -1.776 12.812 28.714
20 HD13 LEU 3 3HD1 LEU 3 -2.231 13.452 27.136
21 HD21 LEU 3 3HD2 LEU 3 -2.651 10.209 25.473
22 HD22 LEU 3 1HD2 LEU 3 -1.166 11.156 25.406
23 HD23 LEU 3 2HD2 LEU 3 -2.730 11.958 25.276
24 H LEU 4 H LEU 4 0.408 10.433 29.883
25 HA LEU 4 HA LEU 4 2.078 12.763 29.392
26 HB2 LEU 4 2HB LEU 4 1.221 11.448 31.975
27 HB3 LEU 4 1HB LEU 4 2.123 12.948 31.861
28 HG LEU 4 HG LEU 4 -0.685 12.516 30.835
29 HD11 LEU 4 1HD1 LEU 4 -0.570 12.527 33.268
30 HD12 LEU 4 2HD1 LEU 4 -1.333 13.998 32.663
31 HD13 LEU 4 3HD1 LEU 4 0.338 14.040 33.225
32 HD21 LEU 4 3HD2 LEU 4 0.571 14.149 29.510
33 HD22 LEU 4 1HD2 LEU 4 0.989 15.022 30.985
34 HD23 LEU 4 2HD2 LEU 4 -0.694 14.926 30.463
35 H GLU 5 H GLU 5 2.346 9.434 30.034
36 HA GLU 5 HA GLU 5 4.926 9.419 31.238
37 HB2 GLU 5 2HB GLU 5 3.450 7.200 29.819
38 HB3 GLU 5 1HB GLU 5 4.814 7.004 30.913
39 HG2 GLU 5 2HG GLU 5 3.543 7.689 32.777
40 HG3 GLU 5 1HG GLU 5 2.229 8.274 31.756
41 H LYS 6 H LYS 6 3.860 9.817 28.035
42 HA LYS 6 HA LYS 6 6.603 9.396 27.074
43 HB2 LYS 6 2HB LYS 6 5.013 7.505 26.425
44 HB3 LYS 6 1HB LYS 6 4.180 8.683 25.421
45 HG2 LYS 6 2HG LYS 6 5.649 7.510 24.001
46 HG3 LYS 6 1HG LYS 6 6.380 9.095 24.271
47 HD2 LYS 6 2HD LYS 6 7.796 8.093 26.034
48 HD3 LYS 6 1HD LYS 6 7.116 6.512 25.644
49 HE2 LYS 6 2HE LYS 6 7.948 6.812 23.313
50 HE3 LYS 6 1HE LYS 6 8.754 8.290 23.845
51 HZ1 LYS 6 3HZ LYS 6 9.300 5.508 24.712
52 HZ2 LYS 6 1HZ LYS 6 9.900 6.862 25.545
53 HZ3 LYS 6 2HZ LYS 6 10.355 6.584 23.937
54 H GLY 7 H GLY 7 3.415 10.742 26.219
55 HA2 GLY 7 2HA GLY 7 4.456 12.511 24.249
56 HA3 GLY 7 1HA GLY 7 2.831 12.536 24.914
57 H LEU 8 H LEU 8 4.461 12.738 27.631
58 HA LEU 8 HA LEU 8 4.628 15.662 27.509
59 HB2 LEU 8 2HB LEU 8 3.111 14.733 29.189
60 HB3 LEU 8 1HB LEU 8 4.434 13.832 29.900
61 HG LEU 8 HG LEU 8 5.544 15.985 30.468
62 HD11 LEU 8 1HD1 LEU 8 2.943 17.194 29.538
63 HD12 LEU 8 2HD1 LEU 8 4.509 17.379 28.751
64 HD13 LEU 8 3HD1 LEU 8 4.249 18.049 30.361
65 HD21 LEU 8 3HD2 LEU 8 2.749 15.644 31.543
66 HD22 LEU 8 1HD2 LEU 8 4.054 16.540 32.318
67 HD23 LEU 8 2HD2 LEU 8 4.189 14.793 32.108
68 H ASP 9 H ASP 9 6.309 13.004 29.195
69 HA ASP 9 HA ASP 9 8.600 14.453 29.853
70 HB2 ASP 9 2HB ASP 9 8.322 11.481 29.357
71 HB3 ASP 9 1HB ASP 9 9.703 12.246 30.134
72 H GLY 10 H GLY 10 7.964 12.403 27.023
73 HA2 GLY 10 2HA GLY 10 10.618 12.627 25.992
74 HA3 GLY 10 1HA GLY 10 9.223 11.982 25.144
75 H ALA 11 H ALA 11 7.766 14.568 25.692
76 HA ALA 11 HA ALA 11 8.312 15.731 23.176
77 HB1 ALA 11 1HB ALA 11 6.714 16.878 25.456
78 HB2 ALA 11 2HB ALA 11 6.096 15.780 24.221
79 HB3 ALA 11 3HB ALA 11 6.650 17.392 23.768
80 H LYS 12 H LYS 12 9.139 16.685 26.480
81 HA LYS 12 HA LYS 12 10.317 19.169 25.625
82 HB2 LYS 12 2HB LYS 12 10.193 17.751 28.279
83 HB3 LYS 12 1HB LYS 12 11.152 19.207 28.055
84 HG2 LYS 12 2HG LYS 12 9.061 19.853 28.984
85 HG3 LYS 12 1HG LYS 12 9.073 20.371 27.298
86 HD2 LYS 12 2HD LYS 12 7.799 18.312 26.724
87 HD3 LYS 12 1HD LYS 12 7.687 17.951 28.446
88 HE2 LYS 12 2HE LYS 12 5.655 19.013 27.698
89 HE3 LYS 12 1HE LYS 12 6.522 20.088 28.793
90 HZ1 LYS 12 3HZ LYS 12 6.840 20.307 25.858
91 HZ2 LYS 12 1HZ LYS 12 7.162 21.471 27.050
92 HZ3 LYS 12 2HZ LYS 12 5.560 21.069 26.664
93 H LYS 13 H LYS 13 11.310 16.032 25.441
94 HA LYS 13 HA LYS 13 14.153 16.705 25.622
95 HB2 LYS 13 2HB LYS 13 13.228 14.553 26.605
96 HB3 LYS 13 1HB LYS 13 12.915 14.023 24.961
97 HG2 LYS 13 2HG LYS 13 15.666 14.842 25.825
98 HG3 LYS 13 1HG LYS 13 15.054 13.218 26.133
99 HD2 LYS 13 2HD LYS 13 14.704 12.875 23.753
100 HD3 LYS 13 1HD LYS 13 15.221 14.528 23.418
101 HE2 LYS 13 2HE LYS 13 17.022 12.985 22.951
102 HE3 LYS 13 1HE LYS 13 17.438 14.003 24.328
103 HZ1 LYS 13 3HZ LYS 13 17.997 11.620 24.612
104 HZ2 LYS 13 1HZ LYS 13 16.342 11.253 24.569
105 HZ3 LYS 13 2HZ LYS 13 16.968 12.218 25.820
106 H ALA 14 H ALA 14 11.617 15.813 23.368
107 HA ALA 14 HA ALA 14 13.215 15.464 21.068
108 HB1 ALA 14 1HB ALA 14 11.135 15.684 19.822
109 HB2 ALA 14 2HB ALA 14 10.335 16.326 21.254
110 HB3 ALA 14 3HB ALA 14 10.912 14.661 21.240
111 H VAL 15 H VAL 15 11.910 18.307 22.620
112 HA VAL 15 HA VAL 15 12.373 20.094 20.437
113 HB VAL 15 HB VAL 15 10.766 20.506 22.320
114 HG11 VAL 15 1HG1 VAL 15 11.616 21.498 24.389
115 HG12 VAL 15 2HG1 VAL 15 13.268 21.162 23.866
116 HG13 VAL 15 3HG1 VAL 15 12.154 19.830 24.183
117 HG21 VAL 15 3HG2 VAL 15 12.799 22.663 21.765
118 HG22 VAL 15 1HG2 VAL 15 11.194 22.924 22.451
119 HG23 VAL 15 2HG2 VAL 15 11.360 22.296 20.811
120 H GLY 16 H GLY 16 14.467 18.427 22.371
121 HA2 GLY 16 2HA GLY 16 16.799 18.493 22.138
122 HA3 GLY 16 1HA GLY 16 16.677 20.150 21.566
123 H GLY 17 H GLY 17 15.428 21.485 23.476
124 HA2 GLY 17 2HA GLY 17 15.615 22.423 25.562
125 HA3 GLY 17 1HA GLY 17 16.259 20.887 26.126
126 H LEU 18 H LEU 18 18.387 20.652 26.409
127 HA LEU 18 HA LEU 18 20.043 23.024 25.979
128 HB2 LEU 18 2HB LEU 18 20.283 20.642 27.790
129 HB3 LEU 18 1HB LEU 18 21.644 21.703 27.497
130 HG LEU 18 HG LEU 18 20.193 23.605 28.346
131 HD11 LEU 18 1HD1 LEU 18 18.023 22.515 28.105
132 HD12 LEU 18 2HD1 LEU 18 18.307 23.021 29.771
133 HD13 LEU 18 3HD1 LEU 18 18.481 21.325 29.321
134 HD21 LEU 18 3HD2 LEU 18 21.969 22.630 29.676
135 HD22 LEU 18 1HD2 LEU 18 20.881 21.356 30.229
136 HD23 LEU 18 2HD2 LEU 18 20.586 23.032 30.695
137 H GLY 19 H GLY 19 19.399 20.028 24.622
138 HA2 GLY 19 2HA GLY 19 22.102 19.851 23.446
139 HA3 GLY 19 1HA GLY 19 20.979 18.504 23.580
140 H LYS 20 H LYS 20 19.603 21.493 22.704
141 HA LYS 20 HA LYS 20 18.873 20.418 20.137
142 HB2 LYS 20 2HB LYS 20 17.451 22.360 19.922
143 HB3 LYS 20 1HB LYS 20 17.252 21.657 21.518
144 HG2 LYS 20 2HG LYS 20 18.780 23.400 22.408
145 HG3 LYS 20 1HG LYS 20 18.791 24.137 20.805
146 HD2 LYS 20 2HD LYS 20 16.292 23.652 22.427
147 HD3 LYS 20 1HD LYS 20 17.182 25.172 22.422
148 HE2 LYS 20 2HE LYS 20 15.385 25.440 20.903
149 HE3 LYS 20 1HE LYS 20 16.836 25.240 19.925
150 HZ1 LYS 20 3HZ LYS 20 16.218 23.069 19.333
151 HZ2 LYS 20 1HZ LYS 20 14.787 23.969 19.208
152 HZ3 LYS 20 2HZ LYS 20 15.041 22.964 20.551
153 H LEU 21 H LEU 21 19.168 21.538 18.139
154 HA LEU 21 HA LEU 21 20.404 22.532 16.520
155 HB2 LEU 21 2HB LEU 21 21.734 24.059 18.762
156 HB3 LEU 21 1HB LEU 21 21.948 24.382 17.053
157 HG LEU 21 HG LEU 21 19.354 24.650 18.573
158 HD11 LEU 21 1HD1 LEU 21 20.969 26.361 19.191
159 HD12 LEU 21 2HD1 LEU 21 19.669 27.051 18.222
160 HD13 LEU 21 3HD1 LEU 21 21.241 26.737 17.491
161 HD21 LEU 21 3HD2 LEU 21 18.514 25.689 16.523
162 HD22 LEU 21 1HD2 LEU 21 18.996 24.016 16.245
163 HD23 LEU 21 2HD2 LEU 21 20.041 25.333 15.714
164 H GLY 22 H GLY 22 21.683 20.700 19.007
165 HA2 GLY 22 2HA GLY 22 24.360 20.484 17.920
166 HA3 GLY 22 1HA GLY 22 23.708 19.585 19.284
167 H LYS 23 H LYS 23 21.685 18.184 18.432
168 HA LYS 23 HA LYS 23 22.866 16.437 16.435
169 HB2 LYS 23 2HB LYS 23 20.641 16.103 18.412
170 HB3 LYS 23 1HB LYS 23 20.804 14.989 17.059
171 HG2 LYS 23 2HG LYS 23 23.146 14.560 17.777
172 HG3 LYS 23 1HG LYS 23 22.833 15.540 19.212
173 HD2 LYS 23 2HD LYS 23 21.278 13.997 20.056
174 HD3 LYS 23 1HD LYS 23 21.104 13.189 18.496
175 HE2 LYS 23 2HE LYS 23 23.605 13.194 20.186
176 HE3 LYS 23 1HE LYS 23 22.440 11.872 20.103
177 HZ1 LYS 23 3HZ LYS 23 24.348 11.492 18.651
178 HZ2 LYS 23 1HZ LYS 23 24.019 12.925 17.812
179 HZ3 LYS 23 2HZ LYS 23 22.923 11.634 17.749
180 H ASP 24 H ASP 24 20.195 18.636 16.769
181 HA ASP 24 HA ASP 24 19.132 19.818 15.149
182 HB2 ASP 24 2HB ASP 24 21.228 19.706 13.882
183 HB3 ASP 24 1HB ASP 24 20.744 18.156 13.205
184 H ALA 25 H ALA 25 19.411 16.465 13.952
185 HA ALA 25 HA ALA 25 17.096 16.508 12.406
186 HB1 ALA 25 1HB ALA 25 18.348 14.094 13.702
187 HB2 ALA 25 2HB ALA 25 18.891 14.846 12.201
188 HB3 ALA 25 3HB ALA 25 17.292 14.108 12.288
189 H VAL 26 H VAL 26 17.451 15.743 15.819
190 HA VAL 26 HA VAL 26 14.962 14.490 16.207
191 HB VAL 26 HB VAL 26 16.780 14.369 17.850
192 HG11 VAL 26 1HG1 VAL 26 16.138 17.256 18.418
193 HG12 VAL 26 2HG1 VAL 26 17.633 16.620 17.737
194 HG13 VAL 26 3HG1 VAL 26 17.190 16.235 19.399
195 HG21 VAL 26 3HG2 VAL 26 15.431 14.642 19.881
196 HG22 VAL 26 1HG2 VAL 26 14.545 13.837 18.586
197 HG23 VAL 26 2HG2 VAL 26 14.228 15.535 18.949
198 H GLU 27 H GLU 27 15.825 17.810 15.849
199 HA GLU 27 HA GLU 27 13.329 18.786 16.988
200 HB2 GLU 27 2HB GLU 27 15.613 20.278 15.689
201 HB3 GLU 27 1HB GLU 27 14.277 21.000 16.573
202 HG2 GLU 27 2HG GLU 27 15.059 20.259 18.622
203 HG3 GLU 27 1HG GLU 27 16.063 19.004 17.893
204 H ASP 28 H ASP 28 14.276 17.535 14.087
205 HA ASP 28 HA ASP 28 12.985 19.504 12.386
206 HB2 ASP 28 2HB ASP 28 15.105 18.340 11.726
207 HB3 ASP 28 1HB ASP 28 14.185 16.844 11.597
208 H LEU 29 H LEU 29 12.583 16.013 13.048
209 HA LEU 29 HA LEU 29 10.301 15.780 11.405
210 HB2 LEU 29 2HB LEU 29 10.058 13.565 12.195
211 HB3 LEU 29 1HB LEU 29 11.774 13.881 12.066
212 HG LEU 29 HG LEU 29 10.302 14.056 14.692
213 HD11 LEU 29 1HD1 LEU 29 9.998 11.813 13.781
214 HD12 LEU 29 2HD1 LEU 29 11.106 11.794 15.153
215 HD13 LEU 29 3HD1 LEU 29 11.736 11.681 13.510
216 HD21 LEU 29 3HD2 LEU 29 13.214 13.676 14.003
217 HD22 LEU 29 1HD2 LEU 29 12.537 13.735 15.630
218 HD23 LEU 29 2HD2 LEU 29 12.477 15.164 14.597
219 H GLU 30 H GLU 30 10.659 16.777 14.715
220 HA GLU 30 HA GLU 30 7.908 16.334 15.391
221 HB2 GLU 30 2HB GLU 30 8.396 17.561 17.450
222 HB3 GLU 30 1HB GLU 30 9.601 16.324 17.140
223 HG2 GLU 30 2HG GLU 30 10.988 17.996 17.741
224 HG3 GLU 30 1HG GLU 30 10.861 18.385 16.028
225 H SER 31 H SER 31 9.724 18.889 13.904
226 HA SER 31 HA SER 31 7.596 20.820 14.074
227 HB2 SER 31 2HB SER 31 10.036 20.739 12.281
228 HB3 SER 31 1HB SER 31 8.971 22.129 12.498
229 HG SER 31 HG SER 31 9.973 21.055 14.847
230 H VAL 32 H VAL 32 8.725 18.394 11.807
231 HA VAL 32 HA VAL 32 7.030 19.075 9.643
232 HB VAL 32 HB VAL 32 8.224 16.386 10.358
233 HG11 VAL 32 1HG1 VAL 32 7.094 17.366 7.738
234 HG12 VAL 32 2HG1 VAL 32 6.363 16.159 8.796
235 HG13 VAL 32 3HG1 VAL 32 7.900 15.818 8.002
236 HG21 VAL 32 3HG2 VAL 32 9.221 18.553 8.513
237 HG22 VAL 32 1HG2 VAL 32 9.959 16.967 8.731
238 HG23 VAL 32 2HG2 VAL 32 9.916 18.112 10.074
239 H GLY 33 H GLY 33 6.662 16.917 12.419
240 HA2 GLY 33 2HA GLY 33 4.651 16.492 13.531
241 HA3 GLY 33 1HA GLY 33 3.775 17.172 12.168
242 H LYS 34 H LYS 34 4.203 15.779 10.067
243 HA LYS 34 HA LYS 34 2.811 13.383 10.492
244 HB2 LYS 34 2HB LYS 34 2.802 14.673 8.370
245 HB3 LYS 34 1HB LYS 34 4.452 14.146 8.072
246 HG2 LYS 34 2HG LYS 34 3.693 11.816 8.003
247 HG3 LYS 34 1HG LYS 34 2.038 12.354 8.290
248 HD2 LYS 34 2HD LYS 34 3.738 13.119 5.917
249 HD3 LYS 34 1HD LYS 34 2.476 11.887 5.913
250 HE2 LYS 34 2HE LYS 34 2.110 14.832 6.445
251 HE3 LYS 34 1HE LYS 34 1.639 13.968 4.984
252 HZ1 LYS 34 3HZ LYS 34 0.156 12.596 6.462
253 HZ2 LYS 34 1HZ LYS 34 -0.297 14.222 6.279
254 HZ3 LYS 34 2HZ LYS 34 0.471 13.716 7.697
255 H GLY 35 H GLY 35 6.234 14.052 10.356
256 HA2 GLY 35 2HA GLY 35 7.242 11.478 9.933
257 HA3 GLY 35 1HA GLY 35 8.049 12.738 10.857
258 H ALA 36 H ALA 36 6.236 13.064 12.935
259 HA ALA 36 HA ALA 36 6.863 10.820 14.588
260 HB1 ALA 36 1HB ALA 36 5.652 12.038 16.339
261 HB2 ALA 36 2HB ALA 36 5.087 13.200 15.137
262 HB3 ALA 36 3HB ALA 36 6.807 13.081 15.508
263 H VAL 37 H VAL 37 3.934 12.106 13.090
264 HA VAL 37 HA VAL 37 2.055 10.385 14.218
265 HB VAL 37 HB VAL 37 2.034 11.549 11.429
266 HG11 VAL 37 1HG1 VAL 37 0.418 9.737 11.680
267 HG12 VAL 37 2HG1 VAL 37 -0.387 11.298 11.528
268 HG13 VAL 37 3HG1 VAL 37 -0.253 10.527 13.107
269 HG21 VAL 37 3HG2 VAL 37 0.879 12.635 13.997
270 HG22 VAL 37 1HG2 VAL 37 0.688 13.348 12.394
271 HG23 VAL 37 2HG2 VAL 37 2.285 13.269 13.139
272 H HIS 38 H HIS 38 4.066 9.960 11.321
273 HA HIS 38 HA HIS 38 2.870 7.473 10.612
274 HB2 HIS 38 2HB HIS 38 3.911 8.694 8.853
275 HB3 HIS 38 1HB HIS 38 5.433 8.797 9.735
276 HD1 HIS 38 1HD HIS 38 7.137 7.081 9.168
277 HD2 HIS 38 2HD HIS 38 3.295 5.869 8.119
278 HE1 HIS 38 1HE HIS 38 7.411 4.861 8.025
279 HE2 HIS 38 2HE HIS 38 5.061 4.026 7.687
280 H ASP 39 H ASP 39 6.185 8.153 11.810
281 HA ASP 39 HA ASP 39 6.827 5.414 11.776
282 HB2 ASP 39 2HB ASP 39 8.197 7.844 12.842
283 HB3 ASP 39 1HB ASP 39 8.849 6.243 13.185
284 H VAL 40 H VAL 40 5.684 7.466 14.403
285 HA VAL 40 HA VAL 40 6.174 5.559 16.452
286 HB VAL 40 HB VAL 40 4.138 7.796 16.367
287 HG11 VAL 40 1HG1 VAL 40 3.503 6.082 17.999
288 HG12 VAL 40 2HG1 VAL 40 4.025 7.564 18.800
289 HG13 VAL 40 3HG1 VAL 40 5.109 6.174 18.725
290 HG21 VAL 40 3HG2 VAL 40 6.881 7.635 17.617
291 HG22 VAL 40 1HG2 VAL 40 5.766 8.993 17.767
292 HG23 VAL 40 2HG2 VAL 40 6.439 8.575 16.191
293 H LYS 41 H LYS 41 3.428 6.205 14.327
294 HA LYS 41 HA LYS 41 2.009 3.896 15.431
295 HB2 LYS 41 2HB LYS 41 0.867 6.135 14.972
296 HB3 LYS 41 1HB LYS 41 1.054 5.771 13.262
297 HG2 LYS 41 2HG LYS 41 -1.179 5.219 14.079
298 HG3 LYS 41 1HG LYS 41 -0.318 3.787 13.509
299 HD2 LYS 41 2HD LYS 41 0.271 3.244 15.836
300 HD3 LYS 41 1HD LYS 41 -0.650 4.645 16.384
301 HE2 LYS 41 2HE LYS 41 -2.686 3.700 15.494
302 HE3 LYS 41 1HE LYS 41 -1.795 2.345 14.805
303 HZ1 LYS 41 3HZ LYS 41 -2.804 1.621 16.806
304 HZ2 LYS 41 1HZ LYS 41 -2.209 2.947 17.682
305 HZ3 LYS 41 2HZ LYS 41 -1.142 1.751 17.118
306 H ASP 42 H ASP 42 4.451 3.579 13.975
307 HA ASP 42 HA ASP 42 3.488 1.979 11.693
308 HB2 ASP 42 2HB ASP 42 4.709 3.966 10.890
309 HB3 ASP 42 1HB ASP 42 6.090 3.529 11.888
310 H VAL 43 H VAL 43 6.309 2.455 13.802
311 HA VAL 43 HA VAL 43 7.350 -0.138 13.493
312 HB VAL 43 HB VAL 43 7.751 1.740 15.827
313 HG11 VAL 43 1HG1 VAL 43 9.472 -0.508 14.789
314 HG12 VAL 43 2HG1 VAL 43 8.517 -0.535 16.271
315 HG13 VAL 43 3HG1 VAL 43 9.878 0.577 16.118
316 HG21 VAL 43 3HG2 VAL 43 8.244 2.857 13.724
317 HG22 VAL 43 1HG2 VAL 43 9.282 1.518 13.238
318 HG23 VAL 43 2HG2 VAL 43 9.730 2.527 14.613
319 H LEU 44 H LEU 44 5.727 1.244 16.367
320 HA LEU 44 HA LEU 44 5.316 -1.418 17.427
321 HB2 LEU 44 2HB LEU 44 4.216 -0.161 19.339
322 HB3 LEU 44 1HB LEU 44 5.930 0.098 19.094
323 HG LEU 44 HG LEU 44 4.028 2.038 17.862
324 HD11 LEU 44 1HD1 LEU 44 3.185 1.753 20.139
325 HD12 LEU 44 2HD1 LEU 44 3.959 3.324 19.935
326 HD13 LEU 44 3HD1 LEU 44 4.806 2.025 20.776
327 HD21 LEU 44 3HD2 LEU 44 6.733 2.288 19.177
328 HD22 LEU 44 1HD2 LEU 44 5.850 3.588 18.375
329 HD23 LEU 44 2HD2 LEU 44 6.431 2.208 17.442
330 H ASP 45 H ASP 45 3.870 -0.078 15.043
331 HA ASP 45 HA ASP 45 1.137 -0.779 15.848
332 HB2 ASP 45 2HB ASP 45 1.492 1.352 14.615
333 HB3 ASP 45 1HB ASP 45 2.134 0.436 13.258
334 H SER 46 H SER 46 3.901 -2.010 14.475
335 HA SER 46 HA SER 46 4.479 -3.992 13.587
336 HB2 SER 46 2HB SER 46 1.655 -4.801 14.319
337 HB3 SER 46 1HB SER 46 2.951 -5.907 13.865
338 HG SER 46 HG SER 46 2.560 -5.511 16.205
339 H VAL 47 H VAL 47 3.208 -1.871 11.931
340 HA VAL 47 HA VAL 47 2.031 -3.470 9.800
341 HB VAL 47 HB VAL 47 0.863 -1.421 10.244
342 HG11 VAL 47 1HG1 VAL 47 1.886 0.790 9.930
343 HG12 VAL 47 2HG1 VAL 47 3.456 0.017 9.710
344 HG13 VAL 47 3HG1 VAL 47 2.619 -0.109 11.256
345 HG21 VAL 47 3HG2 VAL 47 0.906 -2.136 7.930
346 HG22 VAL 47 1HG2 VAL 47 2.397 -1.233 7.654
347 HG23 VAL 47 2HG2 VAL 47 0.901 -0.376 8.021
348 H LEU 48 H LEU 48 3.786 -4.657 9.117
349 HA LEU 48 HA LEU 48 6.083 -3.200 8.040
350 HB2 LEU 48 2HB LEU 48 5.607 -6.124 8.590
351 HB3 LEU 48 1HB LEU 48 6.971 -5.565 7.648
352 HG LEU 48 HG LEU 48 7.772 -5.957 9.836
353 HD11 LEU 48 1HD1 LEU 48 8.652 -3.944 8.833
354 HD12 LEU 48 2HD1 LEU 48 8.503 -3.740 10.578
355 HD13 LEU 48 3HD1 LEU 48 7.319 -3.000 9.502
356 HD21 LEU 48 3HD2 LEU 48 5.647 -6.002 11.020
357 HD22 LEU 48 1HD2 LEU 48 5.517 -4.249 10.873
358 HD23 LEU 48 2HD2 LEU 48 6.810 -4.959 11.840
Start of MODEL 19
1 H1 SER 1 1HT SER 1 -5.694 8.648 -2.612
2 H2 SER 1 2HT SER 1 -4.132 8.111 -2.256
3 H3 SER 1 3HT SER 1 -5.030 8.930 -1.076
4 HA SER 1 HA SER 1 -6.641 7.131 -1.043
5 HB2 SER 1 2HB SER 1 -4.645 5.731 -2.843
6 HB3 SER 1 1HB SER 1 -6.154 5.055 -2.223
7 HG SER 1 HG SER 1 -7.310 6.384 -3.526
8 H SER 2 H SER 2 -6.443 5.844 0.729
9 HA SER 2 HA SER 2 -3.759 5.737 1.913
10 HB2 SER 2 2HB SER 2 -6.455 5.448 3.255
11 HB3 SER 2 1HB SER 2 -4.890 5.578 4.060
12 HG SER 2 HG SER 2 -5.532 7.594 2.257
13 H LEU 3 H LEU 3 -2.855 3.875 1.250
14 HA LEU 3 HA LEU 3 -4.485 1.447 1.132
15 HB2 LEU 3 2HB LEU 3 -1.649 1.908 0.209
16 HB3 LEU 3 1HB LEU 3 -2.634 0.496 -0.123
17 HG LEU 3 HG LEU 3 -3.184 3.288 -1.132
18 HD11 LEU 3 1HD1 LEU 3 -1.239 2.305 -2.199
19 HD12 LEU 3 2HD1 LEU 3 -2.598 2.355 -3.323
20 HD13 LEU 3 3HD1 LEU 3 -2.151 0.836 -2.546
21 HD21 LEU 3 3HD2 LEU 3 -4.908 2.221 -2.499
22 HD22 LEU 3 1HD2 LEU 3 -5.236 2.016 -0.777
23 HD23 LEU 3 2HD2 LEU 3 -4.577 0.677 -1.715
24 H LEU 4 H LEU 4 -1.432 2.604 2.528
25 HA LEU 4 HA LEU 4 -1.764 0.897 4.813
26 HB2 LEU 4 2HB LEU 4 0.268 -0.378 4.580
27 HB3 LEU 4 1HB LEU 4 -0.749 -0.665 3.184
28 HG LEU 4 HG LEU 4 1.506 1.325 3.094
29 HD11 LEU 4 1HD1 LEU 4 2.901 -0.446 2.144
30 HD12 LEU 4 2HD1 LEU 4 1.635 -1.625 2.490
31 HD13 LEU 4 3HD1 LEU 4 2.452 -0.796 3.815
32 HD21 LEU 4 3HD2 LEU 4 -0.134 1.425 1.287
33 HD22 LEU 4 1HD2 LEU 4 0.109 -0.294 0.965
34 HD23 LEU 4 2HD2 LEU 4 1.426 0.849 0.698
35 H GLU 5 H GLU 5 0.791 0.993 5.836
36 HA GLU 5 HA GLU 5 1.017 3.570 6.871
37 HB2 GLU 5 2HB GLU 5 2.181 1.148 7.397
38 HB3 GLU 5 1HB GLU 5 3.536 2.041 6.722
39 HG2 GLU 5 2HG GLU 5 1.881 2.775 9.123
40 HG3 GLU 5 1HG GLU 5 3.573 2.277 9.094
41 H LYS 6 H LYS 6 3.412 2.042 4.705
42 HA LYS 6 HA LYS 6 4.144 4.639 3.659
43 HB2 LYS 6 2HB LYS 6 5.226 1.870 3.349
44 HB3 LYS 6 1HB LYS 6 5.575 3.049 2.093
45 HG2 LYS 6 2HG LYS 6 7.374 2.983 3.711
46 HG3 LYS 6 1HG LYS 6 6.555 4.544 3.764
47 HD2 LYS 6 2HD LYS 6 5.217 3.661 5.701
48 HD3 LYS 6 1HD LYS 6 6.287 2.257 5.710
49 HE2 LYS 6 2HE LYS 6 8.212 3.733 6.062
50 HE3 LYS 6 1HE LYS 6 7.136 5.132 6.048
51 HZ1 LYS 6 3HZ LYS 6 7.601 4.551 8.301
52 HZ2 LYS 6 1HZ LYS 6 7.168 2.931 8.037
53 HZ3 LYS 6 2HZ LYS 6 5.981 4.145 7.984
54 H GLY 7 H GLY 7 1.954 4.979 2.966
55 HA2 GLY 7 2HA GLY 7 1.515 5.083 0.302
56 HA3 GLY 7 1HA GLY 7 0.909 3.486 0.734
57 H LEU 8 H LEU 8 0.859 6.373 2.708
58 HA LEU 8 HA LEU 8 -2.033 6.093 3.031
59 HB2 LEU 8 2HB LEU 8 -0.529 6.215 5.018
60 HB3 LEU 8 1HB LEU 8 -0.052 7.826 4.521
61 HG LEU 8 HG LEU 8 -2.489 8.489 4.750
62 HD11 LEU 8 1HD1 LEU 8 -3.454 6.253 4.693
63 HD12 LEU 8 2HD1 LEU 8 -3.876 7.087 6.189
64 HD13 LEU 8 3HD1 LEU 8 -2.622 5.846 6.194
65 HD21 LEU 8 3HD2 LEU 8 -2.334 8.726 7.184
66 HD22 LEU 8 1HD2 LEU 8 -0.807 9.116 6.390
67 HD23 LEU 8 2HD2 LEU 8 -1.006 7.566 7.207
68 H ASP 9 H ASP 9 0.420 8.144 1.757
69 HA ASP 9 HA ASP 9 -1.215 10.481 1.418
70 HB2 ASP 9 2HB ASP 9 0.767 11.304 0.128
71 HB3 ASP 9 1HB ASP 9 1.151 10.772 1.764
72 H GLY 10 H GLY 10 0.258 8.125 -0.809
73 HA2 GLY 10 2HA GLY 10 -0.372 7.459 -2.921
74 HA3 GLY 10 1HA GLY 10 -1.931 8.227 -2.641
75 H ALA 11 H ALA 11 0.973 10.042 -2.206
76 HA ALA 11 HA ALA 11 0.588 11.390 -4.794
77 HB1 ALA 11 1HB ALA 11 -0.624 12.682 -3.104
78 HB2 ALA 11 2HB ALA 11 0.765 13.576 -3.721
79 HB3 ALA 11 3HB ALA 11 0.846 12.802 -2.137
80 H LYS 12 H LYS 12 2.609 11.274 -1.862
81 HA LYS 12 HA LYS 12 4.993 12.069 -3.253
82 HB2 LYS 12 2HB LYS 12 4.522 10.853 -0.524
83 HB3 LYS 12 1HB LYS 12 6.119 11.288 -1.120
84 HG2 LYS 12 2HG LYS 12 3.819 13.209 -0.799
85 HG3 LYS 12 1HG LYS 12 5.139 13.001 0.355
86 HD2 LYS 12 2HD LYS 12 6.746 13.649 -1.381
87 HD3 LYS 12 1HD LYS 12 5.417 13.877 -2.519
88 HE2 LYS 12 2HE LYS 12 6.158 16.008 -1.577
89 HE3 LYS 12 1HE LYS 12 4.498 15.644 -1.112
90 HZ1 LYS 12 3HZ LYS 12 6.756 14.940 0.662
91 HZ2 LYS 12 1HZ LYS 12 5.126 15.170 1.059
92 HZ3 LYS 12 2HZ LYS 12 6.103 16.507 0.670
93 H LYS 13 H LYS 13 3.509 9.066 -2.222
94 HA LYS 13 HA LYS 13 5.531 7.297 -3.066
95 HB2 LYS 13 2HB LYS 13 3.650 6.647 -1.613
96 HB3 LYS 13 1HB LYS 13 2.526 6.899 -2.938
97 HG2 LYS 13 2HG LYS 13 4.748 4.934 -3.263
98 HG3 LYS 13 1HG LYS 13 3.332 4.502 -2.305
99 HD2 LYS 13 2HD LYS 13 1.885 4.982 -4.215
100 HD3 LYS 13 1HD LYS 13 3.291 5.452 -5.171
101 HE2 LYS 13 2HE LYS 13 4.191 3.183 -4.956
102 HE3 LYS 13 1HE LYS 13 2.781 2.717 -4.007
103 HZ1 LYS 13 3HZ LYS 13 2.522 2.025 -6.284
104 HZ2 LYS 13 1HZ LYS 13 2.765 3.608 -6.843
105 HZ3 LYS 13 2HZ LYS 13 1.385 3.231 -5.930
106 H ALA 14 H ALA 14 3.091 9.066 -4.781
107 HA ALA 14 HA ALA 14 3.144 7.446 -7.143
108 HB1 ALA 14 1HB ALA 14 1.646 9.087 -8.079
109 HB2 ALA 14 2HB ALA 14 2.004 10.207 -6.767
110 HB3 ALA 14 3HB ALA 14 1.150 8.702 -6.432
111 H VAL 15 H VAL 15 4.619 10.515 -6.156
112 HA VAL 15 HA VAL 15 5.655 11.033 -8.778
113 HB VAL 15 HB VAL 15 6.930 12.864 -7.743
114 HG11 VAL 15 1HG1 VAL 15 4.032 12.724 -6.925
115 HG12 VAL 15 2HG1 VAL 15 4.667 13.278 -8.475
116 HG13 VAL 15 3HG1 VAL 15 4.999 14.198 -7.007
117 HG21 VAL 15 3HG2 VAL 15 6.615 13.392 -5.361
118 HG22 VAL 15 1HG2 VAL 15 7.455 11.858 -5.595
119 HG23 VAL 15 2HG2 VAL 15 5.749 11.869 -5.150
120 H GLY 16 H GLY 16 6.814 9.378 -5.944
121 HA2 GLY 16 2HA GLY 16 8.536 7.837 -5.822
122 HA3 GLY 16 1HA GLY 16 8.956 8.217 -7.484
123 H GLY 17 H GLY 17 9.818 10.591 -7.679
124 HA2 GLY 17 2HA GLY 17 11.139 12.334 -6.752
125 HA3 GLY 17 1HA GLY 17 11.469 11.308 -5.363
126 H LEU 18 H LEU 18 11.933 9.170 -7.646
127 HA LEU 18 HA LEU 18 14.709 9.113 -7.383
128 HB2 LEU 18 2HB LEU 18 12.968 7.817 -9.475
129 HB3 LEU 18 1HB LEU 18 14.661 7.436 -9.221
130 HG LEU 18 HG LEU 18 12.416 6.982 -7.251
131 HD11 LEU 18 1HD1 LEU 18 14.120 5.043 -8.808
132 HD12 LEU 18 2HD1 LEU 18 12.427 5.419 -9.127
133 HD13 LEU 18 3HD1 LEU 18 12.884 4.622 -7.622
134 HD21 LEU 18 3HD2 LEU 18 14.475 7.581 -6.095
135 HD22 LEU 18 1HD2 LEU 18 15.360 6.365 -7.017
136 HD23 LEU 18 2HD2 LEU 18 14.108 5.869 -5.877
137 H GLY 19 H GLY 19 12.724 10.665 -9.802
138 HA2 GLY 19 2HA GLY 19 15.197 11.615 -11.101
139 HA3 GLY 19 1HA GLY 19 13.704 11.322 -11.978
140 H LYS 20 H LYS 20 13.448 12.728 -8.844
141 HA LYS 20 HA LYS 20 12.940 15.341 -10.109
142 HB2 LYS 20 2HB LYS 20 11.418 13.963 -7.894
143 HB3 LYS 20 1HB LYS 20 11.296 15.689 -8.179
144 HG2 LYS 20 2HG LYS 20 9.427 14.699 -9.223
145 HG3 LYS 20 1HG LYS 20 10.536 15.140 -10.520
146 HD2 LYS 20 2HD LYS 20 11.301 12.835 -10.672
147 HD3 LYS 20 1HD LYS 20 10.263 12.383 -9.320
148 HE2 LYS 20 2HE LYS 20 9.275 11.755 -11.468
149 HE3 LYS 20 1HE LYS 20 8.288 12.944 -10.623
150 HZ1 LYS 20 3HZ LYS 20 8.664 13.286 -13.091
151 HZ2 LYS 20 1HZ LYS 20 10.249 13.729 -12.699
152 HZ3 LYS 20 2HZ LYS 20 8.942 14.625 -12.092
153 H LEU 21 H LEU 21 14.770 16.421 -9.622
154 HA LEU 21 HA LEU 21 15.833 16.262 -6.896
155 HB2 LEU 21 2HB LEU 21 16.986 17.427 -9.427
156 HB3 LEU 21 1HB LEU 21 17.754 17.563 -7.860
157 HG LEU 21 HG LEU 21 17.232 15.004 -9.373
158 HD11 LEU 21 1HD1 LEU 21 19.800 16.436 -8.702
159 HD12 LEU 21 2HD1 LEU 21 19.045 16.358 -10.294
160 HD13 LEU 21 3HD1 LEU 21 19.661 14.890 -9.537
161 HD21 LEU 21 3HD2 LEU 21 18.480 13.910 -7.583
162 HD22 LEU 21 1HD2 LEU 21 17.012 14.668 -6.965
163 HD23 LEU 21 2HD2 LEU 21 18.578 15.438 -6.709
164 H GLY 22 H GLY 22 15.467 17.798 -5.485
165 HA2 GLY 22 2HA GLY 22 15.479 20.177 -4.935
166 HA3 GLY 22 1HA GLY 22 14.646 20.469 -6.462
167 H LYS 23 H LYS 23 12.785 18.449 -6.401
168 HA LYS 23 HA LYS 23 10.825 19.490 -4.589
169 HB2 LYS 23 2HB LYS 23 10.619 16.963 -6.235
170 HB3 LYS 23 1HB LYS 23 9.302 17.952 -5.624
171 HG2 LYS 23 2HG LYS 23 11.275 18.743 -7.758
172 HG3 LYS 23 1HG LYS 23 9.597 18.266 -8.010
173 HD2 LYS 23 2HD LYS 23 8.847 20.206 -6.729
174 HD3 LYS 23 1HD LYS 23 10.525 20.671 -6.442
175 HE2 LYS 23 2HE LYS 23 10.860 20.938 -8.851
176 HE3 LYS 23 1HE LYS 23 9.183 20.477 -9.136
177 HZ1 LYS 23 3HZ LYS 23 8.486 22.418 -7.851
178 HZ2 LYS 23 1HZ LYS 23 9.431 22.867 -9.189
179 HZ3 LYS 23 2HZ LYS 23 10.107 22.869 -7.633
180 H ASP 24 H ASP 24 13.142 16.978 -4.587
181 HA ASP 24 HA ASP 24 11.919 15.337 -2.568
182 HB2 ASP 24 2HB ASP 24 13.968 14.050 -2.673
183 HB3 ASP 24 1HB ASP 24 13.479 14.461 -4.315
184 H ALA 25 H ALA 25 13.693 18.224 -2.585
185 HA ALA 25 HA ALA 25 15.116 17.842 -0.127
186 HB1 ALA 25 1HB ALA 25 15.687 20.204 -0.317
187 HB2 ALA 25 2HB ALA 25 14.524 20.389 -1.630
188 HB3 ALA 25 3HB ALA 25 15.945 19.365 -1.848
189 H VAL 26 H VAL 26 11.994 19.117 -1.036
190 HA VAL 26 HA VAL 26 11.530 20.244 1.605
191 HB VAL 26 HB VAL 26 10.737 21.395 -0.472
192 HG11 VAL 26 1HG1 VAL 26 10.041 19.493 -1.774
193 HG12 VAL 26 2HG1 VAL 26 8.675 20.583 -1.540
194 HG13 VAL 26 3HG1 VAL 26 8.792 19.100 -0.594
195 HG21 VAL 26 3HG2 VAL 26 8.603 20.635 1.517
196 HG22 VAL 26 1HG2 VAL 26 8.538 22.016 0.420
197 HG23 VAL 26 2HG2 VAL 26 9.770 21.947 1.680
198 H GLU 27 H GLU 27 11.227 17.281 0.087
199 HA GLU 27 HA GLU 27 8.766 16.290 0.991
200 HB2 GLU 27 2HB GLU 27 10.625 15.355 -0.672
201 HB3 GLU 27 1HB GLU 27 11.126 14.474 0.760
202 HG2 GLU 27 2HG GLU 27 8.452 14.344 -0.611
203 HG3 GLU 27 1HG GLU 27 9.688 13.089 -0.555
204 H ASP 28 H ASP 28 12.004 16.115 2.410
205 HA ASP 28 HA ASP 28 11.505 14.311 4.453
206 HB2 ASP 28 2HB ASP 28 13.755 15.057 3.765
207 HB3 ASP 28 1HB ASP 28 13.453 16.624 4.510
208 H LEU 29 H LEU 29 11.539 17.873 4.735
209 HA LEU 29 HA LEU 29 10.824 17.882 7.451
210 HB2 LEU 29 2HB LEU 29 10.218 20.291 7.063
211 HB3 LEU 29 1HB LEU 29 11.856 19.831 6.656
212 HG LEU 29 HG LEU 29 9.818 19.869 4.475
213 HD11 LEU 29 1HD1 LEU 29 9.438 21.975 5.645
214 HD12 LEU 29 2HD1 LEU 29 10.257 22.254 4.108
215 HD13 LEU 29 3HD1 LEU 29 11.169 22.315 5.616
216 HD21 LEU 29 3HD2 LEU 29 12.747 20.577 4.650
217 HD22 LEU 29 1HD2 LEU 29 11.773 20.589 3.180
218 HD23 LEU 29 2HD2 LEU 29 12.077 19.071 4.024
219 H GLU 30 H GLU 30 8.874 17.602 4.588
220 HA GLU 30 HA GLU 30 6.395 18.318 5.801
221 HB2 GLU 30 2HB GLU 30 7.007 16.618 3.382
222 HB3 GLU 30 1HB GLU 30 5.378 17.020 3.899
223 HG2 GLU 30 2HG GLU 30 5.979 19.427 3.634
224 HG3 GLU 30 1HG GLU 30 7.501 18.899 2.911
225 H SER 31 H SER 31 7.613 15.129 4.795
226 HA SER 31 HA SER 31 5.490 13.768 6.070
227 HB2 SER 31 2HB SER 31 8.093 12.759 4.917
228 HB3 SER 31 1HB SER 31 6.763 11.720 5.443
229 HG SER 31 HG SER 31 7.057 13.018 3.108
230 H VAL 32 H VAL 32 8.662 14.700 7.193
231 HA VAL 32 HA VAL 32 8.530 12.939 9.484
232 HB VAL 32 HB VAL 32 10.419 15.224 8.883
233 HG11 VAL 32 1HG1 VAL 32 11.803 14.329 10.705
234 HG12 VAL 32 2HG1 VAL 32 10.546 13.151 11.079
235 HG13 VAL 32 3HG1 VAL 32 10.232 14.873 11.294
236 HG21 VAL 32 3HG2 VAL 32 10.762 12.234 8.683
237 HG22 VAL 32 1HG2 VAL 32 12.042 13.424 8.444
238 HG23 VAL 32 2HG2 VAL 32 10.666 13.374 7.342
239 H GLY 33 H GLY 33 8.157 16.422 8.889
240 HA2 GLY 33 2HA GLY 33 7.704 17.068 11.629
241 HA3 GLY 33 1HA GLY 33 7.418 18.121 10.254
242 H LYS 34 H LYS 34 5.530 16.642 8.856
243 HA LYS 34 HA LYS 34 3.188 17.136 10.483
244 HB2 LYS 34 2HB LYS 34 3.261 17.829 8.119
245 HB3 LYS 34 1HB LYS 34 3.440 16.152 7.630
246 HG2 LYS 34 2HG LYS 34 1.218 15.686 8.654
247 HG3 LYS 34 1HG LYS 34 1.049 17.417 8.946
248 HD2 LYS 34 2HD LYS 34 1.222 17.859 6.565
249 HD3 LYS 34 1HD LYS 34 1.454 16.140 6.245
250 HE2 LYS 34 2HE LYS 34 -0.831 16.699 5.778
251 HE3 LYS 34 1HE LYS 34 -0.786 15.714 7.239
252 HZ1 LYS 34 3HZ LYS 34 -1.073 18.669 7.125
253 HZ2 LYS 34 1HZ LYS 34 -0.970 17.758 8.554
254 HZ3 LYS 34 2HZ LYS 34 -2.294 17.558 7.513
255 H GLY 35 H GLY 35 5.152 14.471 9.642
256 HA2 GLY 35 2HA GLY 35 3.019 12.610 10.481
257 HA3 GLY 35 1HA GLY 35 4.203 12.214 9.249
258 H ALA 36 H ALA 36 4.599 13.710 12.468
259 HA ALA 36 HA ALA 36 6.816 12.036 13.095
260 HB1 ALA 36 1HB ALA 36 6.529 14.234 14.123
261 HB2 ALA 36 2HB ALA 36 6.636 12.973 15.352
262 HB3 ALA 36 3HB ALA 36 5.070 13.671 14.936
263 H VAL 37 H VAL 37 3.389 12.006 13.947
264 HA VAL 37 HA VAL 37 3.467 9.653 15.536
265 HB VAL 37 HB VAL 37 1.128 10.775 13.970
266 HG11 VAL 37 1HG1 VAL 37 -0.255 9.627 15.633
267 HG12 VAL 37 2HG1 VAL 37 1.195 8.952 16.373
268 HG13 VAL 37 3HG1 VAL 37 0.749 8.493 14.732
269 HG21 VAL 37 3HG2 VAL 37 0.514 11.918 16.050
270 HG22 VAL 37 1HG2 VAL 37 2.071 12.474 15.435
271 HG23 VAL 37 2HG2 VAL 37 2.008 11.354 16.797
272 H HIS 38 H HIS 38 3.337 10.284 12.139
273 HA HIS 38 HA HIS 38 2.376 7.820 11.177
274 HB2 HIS 38 2HB HIS 38 2.579 9.877 9.808
275 HB3 HIS 38 1HB HIS 38 4.329 9.749 9.885
276 HD1 HIS 38 1HD HIS 38 1.375 8.531 8.049
277 HD2 HIS 38 2HD HIS 38 5.405 7.585 8.326
278 HE1 HIS 38 1HE HIS 38 1.883 7.171 6.005
279 HE2 HIS 38 2HE HIS 38 4.223 6.340 6.398
280 H ASP 39 H ASP 39 5.620 8.927 12.062
281 HA ASP 39 HA ASP 39 6.926 6.558 11.119
282 HB2 ASP 39 2HB ASP 39 8.089 8.745 11.329
283 HB3 ASP 39 1HB ASP 39 7.948 8.623 13.080
284 H VAL 40 H VAL 40 5.861 7.734 14.278
285 HA VAL 40 HA VAL 40 6.848 5.581 15.807
286 HB VAL 40 HB VAL 40 4.460 7.352 16.380
287 HG11 VAL 40 1HG1 VAL 40 4.835 6.769 18.728
288 HG12 VAL 40 2HG1 VAL 40 6.133 5.677 18.254
289 HG13 VAL 40 3HG1 VAL 40 4.475 5.334 17.766
290 HG21 VAL 40 3HG2 VAL 40 7.345 7.642 17.209
291 HG22 VAL 40 1HG2 VAL 40 6.015 8.684 17.708
292 HG23 VAL 40 2HG2 VAL 40 6.506 8.632 16.014
293 H LYS 41 H LYS 41 3.896 6.060 13.992
294 HA LYS 41 HA LYS 41 2.316 3.978 14.913
295 HB2 LYS 41 2HB LYS 41 1.487 5.628 13.332
296 HB3 LYS 41 1HB LYS 41 2.592 5.043 12.096
297 HG2 LYS 41 2HG LYS 41 1.402 2.822 12.265
298 HG3 LYS 41 1HG LYS 41 0.190 3.649 13.244
299 HD2 LYS 41 2HD LYS 41 -0.221 5.210 11.405
300 HD3 LYS 41 1HD LYS 41 0.990 4.379 10.429
301 HE2 LYS 41 2HE LYS 41 -1.580 3.198 11.477
302 HE3 LYS 41 1HE LYS 41 -1.254 3.672 9.811
303 HZ1 LYS 41 3HZ LYS 41 -1.006 1.307 10.051
304 HZ2 LYS 41 1HZ LYS 41 0.100 1.500 11.317
305 HZ3 LYS 41 2HZ LYS 41 0.516 1.985 9.755
306 H ASP 42 H ASP 42 4.932 3.926 12.548
307 HA ASP 42 HA ASP 42 4.519 1.474 11.362
308 HB2 ASP 42 2HB ASP 42 6.200 2.969 10.520
309 HB3 ASP 42 1HB ASP 42 7.118 2.864 12.021
310 H VAL 43 H VAL 43 6.493 2.093 14.265
311 HA VAL 43 HA VAL 43 7.218 -0.629 14.627
312 HB VAL 43 HB VAL 43 7.184 1.554 16.719
313 HG11 VAL 43 1HG1 VAL 43 7.451 -0.687 17.640
314 HG12 VAL 43 2HG1 VAL 43 8.946 0.236 17.786
315 HG13 VAL 43 3HG1 VAL 43 8.788 -0.996 16.533
316 HG21 VAL 43 3HG2 VAL 43 9.345 0.799 14.754
317 HG22 VAL 43 1HG2 VAL 43 9.543 1.918 16.104
318 HG23 VAL 43 2HG2 VAL 43 8.434 2.308 14.791
319 H LEU 44 H LEU 44 4.734 1.433 16.067
320 HA LEU 44 HA LEU 44 3.895 -0.462 18.016
321 HB2 LEU 44 2HB LEU 44 3.626 2.007 18.191
322 HB3 LEU 44 1HB LEU 44 2.410 1.932 16.933
323 HG LEU 44 HG LEU 44 1.053 0.450 18.426
324 HD11 LEU 44 1HD1 LEU 44 1.605 0.412 20.806
325 HD12 LEU 44 2HD1 LEU 44 3.115 1.263 20.472
326 HD13 LEU 44 3HD1 LEU 44 2.862 -0.366 19.845
327 HD21 LEU 44 3HD2 LEU 44 0.575 2.825 18.212
328 HD22 LEU 44 1HD2 LEU 44 1.756 3.192 19.468
329 HD23 LEU 44 2HD2 LEU 44 0.298 2.284 19.868
330 H ASP 45 H ASP 45 2.935 0.231 14.736
331 HA ASP 45 HA ASP 45 0.410 -1.115 14.865
332 HB2 ASP 45 2HB ASP 45 0.860 0.717 13.278
333 HB3 ASP 45 1HB ASP 45 2.057 -0.282 12.467
334 H SER 46 H SER 46 3.667 -2.008 13.888
335 HA SER 46 HA SER 46 2.723 -4.521 12.776
336 HB2 SER 46 2HB SER 46 5.150 -4.822 12.156
337 HB3 SER 46 1HB SER 46 4.370 -3.407 11.450
338 HG SER 46 HG SER 46 5.481 -2.096 12.791
339 H VAL 47 H VAL 47 4.779 -3.398 15.445
340 HA VAL 47 HA VAL 47 5.279 -6.144 16.263
341 HB VAL 47 HB VAL 47 6.185 -3.579 17.582
342 HG11 VAL 47 1HG1 VAL 47 6.217 -5.480 19.097
343 HG12 VAL 47 2HG1 VAL 47 7.861 -5.006 18.670
344 HG13 VAL 47 3HG1 VAL 47 7.131 -6.426 17.920
345 HG21 VAL 47 3HG2 VAL 47 7.633 -5.368 15.630
346 HG22 VAL 47 1HG2 VAL 47 8.338 -3.998 16.485
347 HG23 VAL 47 2HG2 VAL 47 7.047 -3.733 15.314
348 H LEU 48 H LEU 48 3.960 -7.188 17.565
349 HA LEU 48 HA LEU 48 2.587 -5.720 19.685
350 HB2 LEU 48 2HB LEU 48 0.563 -7.165 19.278
351 HB3 LEU 48 1HB LEU 48 0.863 -5.903 18.104
352 HG LEU 48 HG LEU 48 2.041 -7.851 16.774
353 HD11 LEU 48 1HD1 LEU 48 0.868 -9.989 17.078
354 HD12 LEU 48 2HD1 LEU 48 0.097 -9.345 18.528
355 HD13 LEU 48 3HD1 LEU 48 1.847 -9.552 18.479
356 HD21 LEU 48 3HD2 LEU 48 -0.950 -7.528 16.976
357 HD22 LEU 48 1HD2 LEU 48 -0.086 -8.277 15.634
358 HD23 LEU 48 2HD2 LEU 48 0.142 -6.565 15.983
Start of MODEL 20
1 H1 SER 1 1HT SER 1 7.579 7.820 31.926
2 H2 SER 1 2HT SER 1 8.838 6.890 32.579
3 H3 SER 1 3HT SER 1 7.667 6.158 31.599
4 HA SER 1 HA SER 1 9.506 8.271 30.675
5 HB2 SER 1 2HB SER 1 10.595 6.307 29.442
6 HB3 SER 1 1HB SER 1 10.909 6.434 31.173
7 HG SER 1 HG SER 1 10.354 4.346 30.887
8 H SER 2 H SER 2 8.869 9.159 28.848
9 HA SER 2 HA SER 2 7.259 7.598 26.947
10 HB2 SER 2 2HB SER 2 6.691 10.480 27.689
11 HB3 SER 2 1HB SER 2 5.768 9.475 26.573
12 HG SER 2 HG SER 2 5.282 8.109 28.373
13 H LEU 3 H LEU 3 7.649 8.103 24.782
14 HA LEU 3 HA LEU 3 10.217 8.976 24.135
15 HB2 LEU 3 2HB LEU 3 7.760 8.745 22.407
16 HB3 LEU 3 1HB LEU 3 9.350 9.110 21.776
17 HG LEU 3 HG LEU 3 9.014 6.816 21.381
18 HD11 LEU 3 1HD1 LEU 3 10.716 5.719 22.745
19 HD12 LEU 3 2HD1 LEU 3 10.664 7.061 23.887
20 HD13 LEU 3 3HD1 LEU 3 11.224 7.330 22.237
21 HD21 LEU 3 3HD2 LEU 3 8.326 5.214 23.097
22 HD22 LEU 3 1HD2 LEU 3 7.103 6.460 22.841
23 HD23 LEU 3 2HD2 LEU 3 8.154 6.532 24.257
24 H LEU 4 H LEU 4 7.181 10.721 24.261
25 HA LEU 4 HA LEU 4 8.430 13.122 23.211
26 HB2 LEU 4 2HB LEU 4 5.601 12.476 24.020
27 HB3 LEU 4 1HB LEU 4 6.109 14.109 23.644
28 HG LEU 4 HG LEU 4 6.826 13.225 21.369
29 HD11 LEU 4 1HD1 LEU 4 6.881 10.849 21.935
30 HD12 LEU 4 2HD1 LEU 4 5.778 11.173 20.596
31 HD13 LEU 4 3HD1 LEU 4 5.138 10.876 22.213
32 HD21 LEU 4 3HD2 LEU 4 3.916 13.136 22.142
33 HD22 LEU 4 1HD2 LEU 4 4.534 13.290 20.496
34 HD23 LEU 4 2HD2 LEU 4 4.837 14.564 21.675
35 H GLU 5 H GLU 5 9.728 14.075 24.597
36 HA GLU 5 HA GLU 5 10.371 15.446 26.270
37 HB2 GLU 5 2HB GLU 5 7.450 15.352 27.014
38 HB3 GLU 5 1HB GLU 5 8.632 16.363 27.831
39 HG2 GLU 5 2HG GLU 5 7.980 16.510 24.898
40 HG3 GLU 5 1HG GLU 5 7.307 17.566 26.138
41 H LYS 6 H LYS 6 7.907 13.500 27.977
42 HA LYS 6 HA LYS 6 9.661 13.457 30.262
43 HB2 LYS 6 2HB LYS 6 7.710 12.279 31.356
44 HB3 LYS 6 1HB LYS 6 7.406 13.904 30.764
45 HG2 LYS 6 2HG LYS 6 6.382 12.889 28.725
46 HG3 LYS 6 1HG LYS 6 6.547 11.310 29.499
47 HD2 LYS 6 2HD LYS 6 5.119 11.987 31.309
48 HD3 LYS 6 1HD LYS 6 5.067 13.643 30.710
49 HE2 LYS 6 2HE LYS 6 3.028 12.688 30.048
50 HE3 LYS 6 1HE LYS 6 4.029 12.688 28.598
51 HZ1 LYS 6 3HZ LYS 6 4.543 10.330 29.042
52 HZ2 LYS 6 1HZ LYS 6 2.886 10.602 28.802
53 HZ3 LYS 6 2HZ LYS 6 3.483 10.357 30.367
54 H GLY 7 H GLY 7 10.924 11.981 28.337
55 HA2 GLY 7 2HA GLY 7 11.923 9.932 29.781
56 HA3 GLY 7 1HA GLY 7 10.542 9.185 28.997
57 H LEU 8 H LEU 8 12.422 11.678 27.422
58 HA LEU 8 HA LEU 8 13.361 9.652 25.524
59 HB2 LEU 8 2HB LEU 8 12.018 11.616 24.707
60 HB3 LEU 8 1HB LEU 8 13.351 12.651 25.188
61 HG LEU 8 HG LEU 8 14.828 11.481 23.593
62 HD11 LEU 8 1HD1 LEU 8 13.870 9.937 21.961
63 HD12 LEU 8 2HD1 LEU 8 12.311 10.025 22.782
64 HD13 LEU 8 3HD1 LEU 8 13.700 9.310 23.602
65 HD21 LEU 8 3HD2 LEU 8 12.273 12.552 22.390
66 HD22 LEU 8 1HD2 LEU 8 13.814 12.374 21.548
67 HD23 LEU 8 2HD2 LEU 8 13.671 13.508 22.892
68 H ASP 9 H ASP 9 15.298 8.895 26.066
69 HA ASP 9 HA ASP 9 17.029 10.163 27.879
70 HB2 ASP 9 2HB ASP 9 17.513 7.878 25.967
71 HB3 ASP 9 1HB ASP 9 18.673 8.396 27.188
72 H GLY 10 H GLY 10 17.200 9.825 24.357
73 HA2 GLY 10 2HA GLY 10 19.759 10.896 23.996
74 HA3 GLY 10 1HA GLY 10 18.493 10.877 22.781
75 H ALA 11 H ALA 11 16.688 12.543 24.374
76 HA ALA 11 HA ALA 11 17.935 15.095 23.671
77 HB1 ALA 11 1HB ALA 11 15.666 15.992 23.665
78 HB2 ALA 11 2HB ALA 11 15.043 14.437 24.213
79 HB3 ALA 11 3HB ALA 11 15.795 14.575 22.624
80 H LYS 12 H LYS 12 17.839 13.325 26.353
81 HA LYS 12 HA LYS 12 17.413 15.663 28.096
82 HB2 LYS 12 2HB LYS 12 16.515 12.866 28.362
83 HB3 LYS 12 1HB LYS 12 17.192 13.572 29.822
84 HG2 LYS 12 2HG LYS 12 14.782 13.841 29.760
85 HG3 LYS 12 1HG LYS 12 15.590 15.406 29.694
86 HD2 LYS 12 2HD LYS 12 15.291 15.399 27.233
87 HD3 LYS 12 1HD LYS 12 14.374 13.899 27.383
88 HE2 LYS 12 2HE LYS 12 12.874 15.806 27.218
89 HE3 LYS 12 1HE LYS 12 12.740 15.045 28.802
90 HZ1 LYS 12 3HZ LYS 12 14.425 17.429 28.281
91 HZ2 LYS 12 1HZ LYS 12 13.995 16.776 29.788
92 HZ3 LYS 12 2HZ LYS 12 12.818 17.523 28.817
93 H LYS 13 H LYS 13 19.134 12.545 28.017
94 HA LYS 13 HA LYS 13 21.161 11.885 28.773
95 HB2 LYS 13 2HB LYS 13 21.865 14.770 28.199
96 HB3 LYS 13 1HB LYS 13 23.035 13.498 28.524
97 HG2 LYS 13 2HG LYS 13 21.114 13.573 26.205
98 HG3 LYS 13 1HG LYS 13 22.838 13.939 26.139
99 HD2 LYS 13 2HD LYS 13 21.645 11.283 26.935
100 HD3 LYS 13 1HD LYS 13 22.333 11.657 25.356
101 HE2 LYS 13 2HE LYS 13 23.827 11.743 27.979
102 HE3 LYS 13 1HE LYS 13 23.900 10.428 26.807
103 HZ1 LYS 13 3HZ LYS 13 24.810 11.981 25.182
104 HZ2 LYS 13 1HZ LYS 13 25.784 11.908 26.569
105 HZ3 LYS 13 2HZ LYS 13 24.754 13.233 26.321
106 H ALA 14 H ALA 14 19.204 12.976 30.683
107 HA ALA 14 HA ALA 14 18.987 13.293 32.906
108 HB1 ALA 14 1HB ALA 14 21.908 12.556 33.062
109 HB2 ALA 14 2HB ALA 14 20.563 11.417 33.077
110 HB3 ALA 14 3HB ALA 14 20.756 12.569 34.397
111 H VAL 15 H VAL 15 18.731 15.502 32.102
112 HA VAL 15 HA VAL 15 18.786 17.708 32.385
113 HB VAL 15 HB VAL 15 19.364 18.668 34.450
114 HG11 VAL 15 1HG1 VAL 15 17.447 17.214 34.528
115 HG12 VAL 15 2HG1 VAL 15 18.311 17.140 36.063
116 HG13 VAL 15 3HG1 VAL 15 18.471 15.828 34.897
117 HG21 VAL 15 3HG2 VAL 15 21.067 16.252 35.047
118 HG22 VAL 15 1HG2 VAL 15 20.696 17.552 36.179
119 HG23 VAL 15 2HG2 VAL 15 21.641 17.891 34.728
120 H GLY 16 H GLY 16 22.005 16.309 32.488
121 HA2 GLY 16 2HA GLY 16 23.422 18.746 32.195
122 HA3 GLY 16 1HA GLY 16 24.041 17.143 31.834
123 H GLY 17 H GLY 17 24.223 19.798 30.431
124 HA2 GLY 17 2HA GLY 17 22.780 19.348 27.950
125 HA3 GLY 17 1HA GLY 17 23.810 20.722 28.330
126 H LEU 18 H LEU 18 24.225 17.188 28.044
127 HA LEU 18 HA LEU 18 26.412 17.764 26.171
128 HB2 LEU 18 2HB LEU 18 27.726 15.928 27.036
129 HB3 LEU 18 1HB LEU 18 27.384 17.078 28.309
130 HG LEU 18 HG LEU 18 25.808 14.523 27.994
131 HD11 LEU 18 1HD1 LEU 18 28.281 14.996 29.656
132 HD12 LEU 18 2HD1 LEU 18 28.169 13.949 28.243
133 HD13 LEU 18 3HD1 LEU 18 27.262 13.558 29.707
134 HD21 LEU 18 3HD2 LEU 18 24.806 16.284 29.381
135 HD22 LEU 18 1HD2 LEU 18 26.277 16.350 30.350
136 HD23 LEU 18 2HD2 LEU 18 25.289 14.889 30.345
137 H GLY 19 H GLY 19 25.343 17.342 24.318
138 HA2 GLY 19 2HA GLY 19 25.209 15.688 22.621
139 HA3 GLY 19 1HA GLY 19 24.849 14.490 23.853
140 H LYS 20 H LYS 20 22.825 16.314 25.092
141 HA LYS 20 HA LYS 20 20.605 15.142 23.856
142 HB2 LYS 20 2HB LYS 20 19.227 16.579 25.303
143 HB3 LYS 20 1HB LYS 20 20.510 15.764 26.179
144 HG2 LYS 20 2HG LYS 20 21.792 17.794 26.299
145 HG3 LYS 20 1HG LYS 20 20.626 18.633 25.271
146 HD2 LYS 20 2HD LYS 20 18.899 18.347 26.959
147 HD3 LYS 20 1HD LYS 20 20.012 17.430 27.972
148 HE2 LYS 20 2HE LYS 20 21.428 19.395 28.219
149 HE3 LYS 20 1HE LYS 20 20.360 20.315 27.160
150 HZ1 LYS 20 3HZ LYS 20 19.953 20.747 29.532
151 HZ2 LYS 20 1HZ LYS 20 19.546 19.117 29.755
152 HZ3 LYS 20 2HZ LYS 20 18.595 20.099 28.756
153 H LEU 21 H LEU 21 21.953 18.380 23.530
154 HA LEU 21 HA LEU 21 20.093 18.816 21.287
155 HB2 LEU 21 2HB LEU 21 21.515 20.830 23.036
156 HB3 LEU 21 1HB LEU 21 20.582 21.242 21.608
157 HG LEU 21 HG LEU 21 19.479 19.930 24.097
158 HD11 LEU 21 1HD1 LEU 21 20.097 22.255 24.465
159 HD12 LEU 21 2HD1 LEU 21 18.344 22.058 24.451
160 HD13 LEU 21 3HD1 LEU 21 19.167 22.736 23.045
161 HD21 LEU 21 3HD2 LEU 21 17.293 20.325 23.064
162 HD22 LEU 21 1HD2 LEU 21 18.286 19.236 22.089
163 HD23 LEU 21 2HD2 LEU 21 18.092 20.924 21.609
164 H GLY 22 H GLY 22 22.736 17.419 21.538
165 HA2 GLY 22 2HA GLY 22 24.317 19.076 19.686
166 HA3 GLY 22 1HA GLY 22 24.990 17.870 20.772
167 H LYS 23 H LYS 23 23.586 15.631 20.348
168 HA LYS 23 HA LYS 23 24.221 15.121 17.526
169 HB2 LYS 23 2HB LYS 23 24.712 12.830 18.142
170 HB3 LYS 23 1HB LYS 23 25.630 13.932 19.153
171 HG2 LYS 23 2HG LYS 23 24.943 12.398 20.696
172 HG3 LYS 23 1HG LYS 23 23.639 13.579 20.818
173 HD2 LYS 23 2HD LYS 23 22.271 12.214 19.305
174 HD3 LYS 23 1HD LYS 23 23.579 11.036 19.186
175 HE2 LYS 23 2HE LYS 23 23.407 10.602 21.582
176 HE3 LYS 23 1HE LYS 23 22.110 11.791 21.711
177 HZ1 LYS 23 3HZ LYS 23 21.982 9.353 20.017
178 HZ2 LYS 23 1HZ LYS 23 20.714 10.440 20.326
179 HZ3 LYS 23 2HZ LYS 23 21.325 9.465 21.575
180 H ASP 24 H ASP 24 21.691 14.859 19.901
181 HA ASP 24 HA ASP 24 20.180 13.027 18.201
182 HB2 ASP 24 2HB ASP 24 20.491 12.955 20.845
183 HB3 ASP 24 1HB ASP 24 19.087 14.017 20.788
184 H ALA 25 H ALA 25 20.561 16.276 18.566
185 HA ALA 25 HA ALA 25 17.877 17.197 18.463
186 HB1 ALA 25 1HB ALA 25 18.857 19.370 17.943
187 HB2 ALA 25 2HB ALA 25 20.427 18.606 17.689
188 HB3 ALA 25 3HB ALA 25 19.688 18.591 19.289
189 H VAL 26 H VAL 26 19.842 15.725 16.158
190 HA VAL 26 HA VAL 26 18.959 17.051 13.811
191 HB VAL 26 HB VAL 26 21.003 15.654 13.894
192 HG11 VAL 26 1HG1 VAL 26 19.094 13.324 13.980
193 HG12 VAL 26 2HG1 VAL 26 20.162 13.839 15.286
194 HG13 VAL 26 3HG1 VAL 26 20.843 13.229 13.779
195 HG21 VAL 26 3HG2 VAL 26 20.714 14.557 11.718
196 HG22 VAL 26 1HG2 VAL 26 20.014 16.176 11.738
197 HG23 VAL 26 2HG2 VAL 26 18.968 14.761 11.854
198 H GLU 27 H GLU 27 17.549 14.677 15.880
199 HA GLU 27 HA GLU 27 15.745 13.480 14.075
200 HB2 GLU 27 2HB GLU 27 15.597 13.882 17.063
201 HB3 GLU 27 1HB GLU 27 14.446 12.915 16.150
202 HG2 GLU 27 2HG GLU 27 17.406 12.409 16.348
203 HG3 GLU 27 1HG GLU 27 16.145 11.532 17.214
204 H ASP 28 H ASP 28 15.637 16.443 15.929
205 HA ASP 28 HA ASP 28 12.864 16.958 15.450
206 HB2 ASP 28 2HB ASP 28 13.947 17.913 17.399
207 HB3 ASP 28 1HB ASP 28 15.117 18.751 16.387
208 H LEU 29 H LEU 29 15.649 17.193 13.559
209 HA LEU 29 HA LEU 29 14.635 19.380 11.933
210 HB2 LEU 29 2HB LEU 29 17.202 17.804 11.756
211 HB3 LEU 29 1HB LEU 29 16.774 19.126 10.687
212 HG LEU 29 HG LEU 29 17.184 19.358 13.668
213 HD11 LEU 29 1HD1 LEU 29 19.208 20.590 13.069
214 HD12 LEU 29 2HD1 LEU 29 18.917 20.241 11.365
215 HD13 LEU 29 3HD1 LEU 29 19.266 18.927 12.488
216 HD21 LEU 29 3HD2 LEU 29 15.543 20.954 12.812
217 HD22 LEU 29 1HD2 LEU 29 16.691 21.479 11.580
218 HD23 LEU 29 2HD2 LEU 29 17.038 21.762 13.286
219 H GLU 30 H GLU 30 16.128 16.277 10.984
220 HA GLU 30 HA GLU 30 14.409 16.363 8.623
221 HB2 GLU 30 2HB GLU 30 15.987 14.684 7.693
222 HB3 GLU 30 1HB GLU 30 16.740 16.214 8.118
223 HG2 GLU 30 2HG GLU 30 17.696 15.280 10.090
224 HG3 GLU 30 1HG GLU 30 16.783 13.783 9.887
225 H SER 31 H SER 31 14.844 14.504 11.509
226 HA SER 31 HA SER 31 13.795 12.055 10.500
227 HB2 SER 31 2HB SER 31 15.210 12.240 12.555
228 HB3 SER 31 1HB SER 31 13.850 13.004 13.374
229 HG SER 31 HG SER 31 14.083 10.687 13.708
230 H VAL 32 H VAL 32 12.388 14.856 12.137
231 HA VAL 32 HA VAL 32 9.787 13.795 12.431
232 HB VAL 32 HB VAL 32 10.592 15.801 13.642
233 HG11 VAL 32 1HG1 VAL 32 11.804 16.890 11.834
234 HG12 VAL 32 2HG1 VAL 32 10.609 17.981 12.535
235 HG13 VAL 32 3HG1 VAL 32 10.289 17.199 10.987
236 HG21 VAL 32 3HG2 VAL 32 8.113 16.256 11.986
237 HG22 VAL 32 1HG2 VAL 32 8.516 17.092 13.485
238 HG23 VAL 32 2HG2 VAL 32 8.204 15.356 13.502
239 H GLY 33 H GLY 33 11.492 15.164 9.747
240 HA2 GLY 33 2HA GLY 33 9.273 15.957 8.173
241 HA3 GLY 33 1HA GLY 33 10.910 15.689 7.595
242 H LYS 34 H LYS 34 10.636 12.871 8.825
243 HA LYS 34 HA LYS 34 9.755 11.569 6.441
244 HB2 LYS 34 2HB LYS 34 11.507 10.642 7.954
245 HB3 LYS 34 1HB LYS 34 10.272 10.381 9.179
246 HG2 LYS 34 2HG LYS 34 9.096 8.890 7.541
247 HG3 LYS 34 1HG LYS 34 10.514 9.034 6.501
248 HD2 LYS 34 2HD LYS 34 11.914 8.112 8.292
249 HD3 LYS 34 1HD LYS 34 10.486 7.954 9.319
250 HE2 LYS 34 2HE LYS 34 10.965 6.557 6.689
251 HE3 LYS 34 1HE LYS 34 11.036 5.822 8.289
252 HZ1 LYS 34 3HZ LYS 34 8.938 5.377 7.145
253 HZ2 LYS 34 1HZ LYS 34 8.611 7.039 7.076
254 HZ3 LYS 34 2HZ LYS 34 8.692 6.252 8.581
255 H GLY 35 H GLY 35 8.298 12.521 9.423
256 HA2 GLY 35 2HA GLY 35 5.864 12.663 9.518
257 HA3 GLY 35 1HA GLY 35 5.813 11.132 8.646
258 H ALA 36 H ALA 36 7.542 12.326 11.512
259 HA ALA 36 HA ALA 36 7.640 9.891 12.864
260 HB1 ALA 36 1HB ALA 36 8.222 11.180 14.838
261 HB2 ALA 36 2HB ALA 36 7.626 12.654 14.076
262 HB3 ALA 36 3HB ALA 36 9.042 11.831 13.419
263 H VAL 37 H VAL 37 5.107 12.257 12.668
264 HA VAL 37 HA VAL 37 3.548 11.466 14.879
265 HB VAL 37 HB VAL 37 2.512 12.614 12.280
266 HG11 VAL 37 1HG1 VAL 37 0.777 11.838 13.806
267 HG12 VAL 37 2HG1 VAL 37 0.775 13.597 13.688
268 HG13 VAL 37 3HG1 VAL 37 1.473 12.810 15.103
269 HG21 VAL 37 3HG2 VAL 37 4.393 13.954 13.067
270 HG22 VAL 37 1HG2 VAL 37 3.649 14.081 14.660
271 HG23 VAL 37 2HG2 VAL 37 2.872 14.827 13.262
272 H HIS 38 H HIS 38 4.061 10.068 11.768
273 HA HIS 38 HA HIS 38 1.806 8.231 12.105
274 HB2 HIS 38 2HB HIS 38 2.064 9.244 9.886
275 HB3 HIS 38 1HB HIS 38 3.707 8.619 9.777
276 HD1 HIS 38 1HD HIS 38 0.177 7.698 9.222
277 HD2 HIS 38 2HD HIS 38 3.863 5.787 9.387
278 HE1 HIS 38 1HE HIS 38 -0.201 5.409 8.241
279 HE2 HIS 38 2HE HIS 38 2.006 4.213 8.521
280 H ASP 39 H ASP 39 5.320 8.230 11.599
281 HA ASP 39 HA ASP 39 5.741 5.483 11.589
282 HB2 ASP 39 2HB ASP 39 7.476 7.829 12.241
283 HB3 ASP 39 1HB ASP 39 8.085 6.204 12.535
284 H VAL 40 H VAL 40 5.431 7.667 14.334
285 HA VAL 40 HA VAL 40 6.448 6.032 16.339
286 HB VAL 40 HB VAL 40 5.850 8.399 16.680
287 HG11 VAL 40 1HG1 VAL 40 3.003 7.406 16.696
288 HG12 VAL 40 2HG1 VAL 40 3.733 8.492 15.511
289 HG13 VAL 40 3HG1 VAL 40 3.524 9.020 17.183
290 HG21 VAL 40 3HG2 VAL 40 6.215 6.958 18.609
291 HG22 VAL 40 1HG2 VAL 40 4.508 6.509 18.609
292 HG23 VAL 40 2HG2 VAL 40 4.982 8.171 18.957
293 H LYS 41 H LYS 41 3.321 5.933 14.748
294 HA LYS 41 HA LYS 41 2.430 3.811 16.564
295 HB2 LYS 41 2HB LYS 41 0.933 5.425 14.498
296 HB3 LYS 41 1HB LYS 41 0.225 4.108 15.423
297 HG2 LYS 41 2HG LYS 41 0.555 5.315 17.483
298 HG3 LYS 41 1HG LYS 41 1.407 6.602 16.626
299 HD2 LYS 41 2HD LYS 41 -1.462 5.822 16.121
300 HD3 LYS 41 1HD LYS 41 -0.957 7.150 17.167
301 HE2 LYS 41 2HE LYS 41 0.171 8.207 15.259
302 HE3 LYS 41 1HE LYS 41 -0.376 6.893 14.218
303 HZ1 LYS 41 3HZ LYS 41 -1.756 8.941 14.132
304 HZ2 LYS 41 1HZ LYS 41 -2.210 8.658 15.741
305 HZ3 LYS 41 2HZ LYS 41 -2.627 7.541 14.530
306 H ASP 42 H ASP 42 3.508 4.424 13.353
307 HA ASP 42 HA ASP 42 2.448 2.144 12.064
308 HB2 ASP 42 2HB ASP 42 3.444 4.199 10.958
309 HB3 ASP 42 1HB ASP 42 5.029 3.542 11.348
310 H VAL 43 H VAL 43 5.611 2.775 13.560
311 HA VAL 43 HA VAL 43 6.706 0.223 13.087
312 HB VAL 43 HB VAL 43 7.352 2.162 15.321
313 HG11 VAL 43 1HG1 VAL 43 8.187 -0.073 15.807
314 HG12 VAL 43 2HG1 VAL 43 9.518 1.020 15.425
315 HG13 VAL 43 3HG1 VAL 43 8.956 -0.143 14.223
316 HG21 VAL 43 3HG2 VAL 43 7.608 3.168 13.113
317 HG22 VAL 43 1HG2 VAL 43 8.611 1.810 12.599
318 HG23 VAL 43 2HG2 VAL 43 9.181 2.899 13.865
319 H LEU 44 H LEU 44 4.683 1.494 15.665
320 HA LEU 44 HA LEU 44 4.902 -0.717 17.411
321 HB2 LEU 44 2HB LEU 44 2.701 1.319 17.092
322 HB3 LEU 44 1HB LEU 44 2.744 0.120 18.370
323 HG LEU 44 HG LEU 44 4.746 2.337 17.937
324 HD11 LEU 44 1HD1 LEU 44 2.693 1.889 20.101
325 HD12 LEU 44 2HD1 LEU 44 2.621 3.114 18.834
326 HD13 LEU 44 3HD1 LEU 44 3.884 3.189 20.063
327 HD21 LEU 44 3HD2 LEU 44 5.825 0.315 18.794
328 HD22 LEU 44 1HD2 LEU 44 4.634 0.230 20.095
329 HD23 LEU 44 2HD2 LEU 44 5.766 1.582 20.020
330 H ASP 45 H ASP 45 2.851 -0.049 14.643
331 HA ASP 45 HA ASP 45 1.066 -2.213 14.972
332 HB2 ASP 45 2HB ASP 45 0.453 -0.491 13.449
333 HB3 ASP 45 1HB ASP 45 1.954 -0.654 12.545
334 H SER 46 H SER 46 4.311 -1.996 13.760
335 HA SER 46 HA SER 46 4.264 -4.639 12.579
336 HB2 SER 46 2HB SER 46 6.588 -2.766 13.074
337 HB3 SER 46 1HB SER 46 6.600 -4.193 12.035
338 HG SER 46 HG SER 46 4.603 -2.823 11.153
339 H VAL 47 H VAL 47 4.086 -3.784 15.638
340 HA VAL 47 HA VAL 47 5.469 -6.210 16.498
341 HB VAL 47 HB VAL 47 6.924 -4.178 16.967
342 HG11 VAL 47 1HG1 VAL 47 5.223 -2.584 17.587
343 HG12 VAL 47 2HG1 VAL 47 6.351 -2.812 18.925
344 HG13 VAL 47 3HG1 VAL 47 4.762 -3.575 18.973
345 HG21 VAL 47 3HG2 VAL 47 7.540 -4.919 19.224
346 HG22 VAL 47 1HG2 VAL 47 7.266 -6.276 18.131
347 HG23 VAL 47 2HG2 VAL 47 6.040 -5.841 19.320
348 H LEU 48 H LEU 48 2.697 -5.026 16.005
349 HA LEU 48 HA LEU 48 1.517 -5.436 18.666
350 HB2 LEU 48 2HB LEU 48 1.105 -3.245 17.578
351 HB3 LEU 48 1HB LEU 48 0.347 -4.080 16.236
352 HG LEU 48 HG LEU 48 -1.371 -4.951 17.818
353 HD11 LEU 48 1HD1 LEU 48 -0.057 -3.044 19.744
354 HD12 LEU 48 2HD1 LEU 48 -0.115 -4.801 19.886
355 HD13 LEU 48 3HD1 LEU 48 -1.600 -3.858 19.997
356 HD21 LEU 48 3HD2 LEU 48 -2.589 -2.842 17.998
357 HD22 LEU 48 1HD2 LEU 48 -1.807 -3.004 16.426
358 HD23 LEU 48 2HD2 LEU 48 -1.105 -1.954 17.657