Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
618226 | 2ndk RC | 26063 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HT1 SER 1 8.836 -26.137 -4.546
2 H2 SER 1 HT2 SER 1 9.205 -25.281 -3.105
3 H3 SER 1 HT3 SER 1 10.414 -25.516 -4.299
4 HA SER 1 HA SER 1 9.743 -23.349 -4.549
5 HB2 SER 1 HB2 SER 1 8.131 -24.975 -6.531
6 HB3 SER 1 HB1 SER 1 8.819 -23.371 -6.786
7 HG SER 1 HG SER 1 9.952 -25.571 -7.422
8 H SER 2 HN SER 2 8.502 -22.712 -2.715
9 HA SER 2 HA SER 2 5.591 -22.940 -2.998
10 HB2 SER 2 HB2 SER 2 6.308 -23.637 -0.834
11 HB3 SER 2 HB1 SER 2 7.356 -22.230 -0.653
12 HG SER 2 HG SER 2 5.697 -21.067 -0.053
13 H LEU 3 HN LEU 3 4.250 -21.081 -2.737
14 HA LEU 3 HA LEU 3 5.297 -18.764 -4.059
15 HB2 LEU 3 HB2 LEU 3 2.657 -19.748 -3.200
16 HB3 LEU 3 HB1 LEU 3 2.828 -18.003 -3.199
17 HG LEU 3 HG LEU 3 3.743 -19.409 -5.641
18 HD11 LEU 3 HD11 LEU 3 1.381 -19.421 -6.493
19 HD12 LEU 3 HD12 LEU 3 0.853 -19.227 -4.822
20 HD13 LEU 3 HD13 LEU 3 1.758 -20.663 -5.299
21 HD21 LEU 3 HD21 LEU 3 2.378 -17.417 -6.576
22 HD22 LEU 3 HD22 LEU 3 3.922 -17.104 -5.783
23 HD23 LEU 3 HD23 LEU 3 2.412 -16.830 -4.914
24 H LEU 4 HN LEU 4 4.502 -19.639 -0.767
25 HA LEU 4 HA LEU 4 4.619 -16.991 0.287
26 HB2 LEU 4 HB2 LEU 4 3.552 -19.176 1.262
27 HB3 LEU 4 HB1 LEU 4 5.148 -19.422 1.945
28 HG LEU 4 HG LEU 4 4.725 -16.893 2.747
29 HD11 LEU 4 HD11 LEU 4 2.599 -16.420 2.034
30 HD12 LEU 4 HD12 LEU 4 2.267 -17.065 3.642
31 HD13 LEU 4 HD13 LEU 4 2.047 -18.084 2.220
32 HD21 LEU 4 HD21 LEU 4 4.226 -19.551 3.942
33 HD22 LEU 4 HD22 LEU 4 3.585 -18.157 4.811
34 HD23 LEU 4 HD23 LEU 4 5.310 -18.258 4.456
35 H GLU 5 HN GLU 5 6.963 -19.479 -0.371
36 HA GLU 5 HA GLU 5 9.032 -18.340 1.259
37 HB2 GLU 5 HB2 GLU 5 8.758 -20.638 -0.582
38 HB3 GLU 5 HB1 GLU 5 10.370 -19.944 -0.469
39 HG2 GLU 5 HG2 GLU 5 10.494 -20.373 1.851
40 HG3 GLU 5 HG1 GLU 5 8.776 -20.756 1.943
41 H LYS 6 HN LYS 6 7.923 -18.042 -2.025
42 HA LYS 6 HA LYS 6 10.251 -16.431 -2.731
43 HB2 LYS 6 HB2 LYS 6 7.969 -17.253 -4.525
44 HB3 LYS 6 HB1 LYS 6 9.532 -16.612 -5.015
45 HG2 LYS 6 HG2 LYS 6 9.223 -19.218 -3.551
46 HG3 LYS 6 HG1 LYS 6 9.205 -19.089 -5.311
47 HD2 LYS 6 HD2 LYS 6 11.427 -19.334 -5.180
48 HD3 LYS 6 HD1 LYS 6 11.446 -17.658 -4.629
49 HE2 LYS 6 HE2 LYS 6 12.572 -18.559 -2.886
50 HE3 LYS 6 HE1 LYS 6 10.940 -18.878 -2.300
51 HZ1 LYS 6 HZ1 LYS 6 11.771 -20.952 -2.109
52 HZ2 LYS 6 HZ2 LYS 6 12.947 -20.731 -3.305
53 HZ3 LYS 6 HZ3 LYS 6 11.347 -21.057 -3.744
54 H GLY 7 HN GLY 7 6.902 -16.154 -1.929
55 HA2 GLY 7 HA2 GLY 7 6.555 -13.526 -3.055
56 HA3 GLY 7 HA1 GLY 7 5.429 -14.369 -2.002
57 H LEU 8 HN LEU 8 6.982 -14.814 0.236
58 HA LEU 8 HA LEU 8 6.944 -12.218 1.435
59 HB2 LEU 8 HB2 LEU 8 7.542 -14.991 2.381
60 HB3 LEU 8 HB1 LEU 8 8.012 -13.628 3.379
61 HG LEU 8 HG LEU 8 5.710 -12.893 3.547
62 HD11 LEU 8 HD11 LEU 8 4.537 -13.342 1.661
63 HD12 LEU 8 HD12 LEU 8 4.032 -14.738 2.612
64 HD13 LEU 8 HD13 LEU 8 5.315 -14.905 1.414
65 HD21 LEU 8 HD21 LEU 8 6.439 -15.681 4.262
66 HD22 LEU 8 HD22 LEU 8 4.764 -15.178 4.484
67 HD23 LEU 8 HD23 LEU 8 6.062 -14.307 5.300
68 H ASP 9 HN ASP 9 9.383 -14.409 0.231
69 HA ASP 9 HA ASP 9 11.607 -13.065 1.362
70 HB2 ASP 9 HB2 ASP 9 11.610 -15.440 0.536
71 HB3 ASP 9 HB1 ASP 9 11.598 -14.806 -1.107
72 H GLY 10 HN GLY 10 9.724 -12.644 -1.532
73 HA2 GLY 10 HA2 GLY 10 11.605 -10.967 -2.891
74 HA3 GLY 10 HA1 GLY 10 9.913 -11.197 -3.313
75 H ALA 11 HN ALA 11 8.966 -10.483 -0.658
76 HA ALA 11 HA ALA 11 8.759 -7.684 -1.076
77 HB1 ALA 11 HB1 ALA 11 7.587 -9.651 0.779
78 HB2 ALA 11 HB2 ALA 11 6.811 -8.386 -0.174
79 HB3 ALA 11 HB3 ALA 11 7.633 -7.977 1.332
80 H LYS 12 HN LYS 12 9.998 -9.549 1.674
81 HA LYS 12 HA LYS 12 11.017 -7.473 3.172
82 HB2 LYS 12 HB2 LYS 12 12.102 -10.278 2.902
83 HB3 LYS 12 HB1 LYS 12 12.533 -9.154 4.183
84 HG2 LYS 12 HG2 LYS 12 9.965 -9.071 4.601
85 HG3 LYS 12 HG1 LYS 12 9.967 -10.598 3.716
86 HD2 LYS 12 HD2 LYS 12 10.983 -11.717 5.394
87 HD3 LYS 12 HD1 LYS 12 12.011 -10.348 5.822
88 HE2 LYS 12 HE2 LYS 12 10.011 -9.267 6.853
89 HE3 LYS 12 HE1 LYS 12 9.117 -10.758 6.558
90 HZ1 LYS 12 HZ1 LYS 12 11.645 -11.039 7.965
91 HZ2 LYS 12 HZ2 LYS 12 10.169 -11.823 8.223
92 HZ3 LYS 12 HZ3 LYS 12 10.410 -10.258 8.817
93 H LYS 13 HN LYS 13 12.267 -8.692 0.191
94 HA LYS 13 HA LYS 13 14.868 -7.442 0.678
95 HB2 LYS 13 HB2 LYS 13 15.585 -8.577 -1.372
96 HB3 LYS 13 HB1 LYS 13 14.885 -9.712 -0.223
97 HG2 LYS 13 HG2 LYS 13 13.697 -10.436 -1.972
98 HG3 LYS 13 HG1 LYS 13 12.706 -9.001 -1.683
99 HD2 LYS 13 HD2 LYS 13 13.253 -8.193 -3.674
100 HD3 LYS 13 HD1 LYS 13 14.964 -8.237 -3.243
101 HE2 LYS 13 HE2 LYS 13 15.277 -9.855 -4.732
102 HE3 LYS 13 HE1 LYS 13 14.185 -10.893 -3.817
103 HZ1 LYS 13 HZ1 LYS 13 12.443 -9.383 -5.144
104 HZ2 LYS 13 HZ2 LYS 13 13.030 -10.857 -5.729
105 HZ3 LYS 13 HZ3 LYS 13 13.712 -9.404 -6.262
106 H ALA 14 HN ALA 14 12.474 -7.521 -1.985
107 HA ALA 14 HA ALA 14 13.551 -5.186 -3.210
108 HB1 ALA 14 HB1 ALA 14 11.368 -5.360 -4.564
109 HB2 ALA 14 HB2 ALA 14 11.132 -6.885 -3.709
110 HB3 ALA 14 HB3 ALA 14 12.556 -6.653 -4.723
111 H VAL 15 HN VAL 15 10.779 -5.947 -1.191
112 HA VAL 15 HA VAL 15 9.885 -3.235 -1.260
113 HB VAL 15 HB VAL 15 8.837 -5.404 0.532
114 HG11 VAL 15 HG11 VAL 15 7.897 -3.488 1.352
115 HG12 VAL 15 HG12 VAL 15 6.723 -3.897 0.102
116 HG13 VAL 15 HG13 VAL 15 7.947 -2.666 -0.208
117 HG21 VAL 15 HG21 VAL 15 8.850 -5.906 -1.985
118 HG22 VAL 15 HG22 VAL 15 7.631 -4.638 -2.106
119 HG23 VAL 15 HG23 VAL 15 7.321 -6.067 -1.121
120 H GLY 16 HN GLY 16 11.382 -5.397 1.082
121 HA2 GLY 16 HA2 GLY 16 11.341 -3.605 3.268
122 HA3 GLY 16 HA1 GLY 16 12.421 -4.982 3.091
123 H GLY 17 HN GLY 17 13.695 -4.169 0.700
124 HA2 GLY 17 HA2 GLY 17 15.602 -2.313 1.815
125 HA3 GLY 17 HA1 GLY 17 15.718 -3.122 0.260
126 H LEU 18 HN LEU 18 13.403 -2.307 -0.977
127 HA LEU 18 HA LEU 18 14.108 0.358 -1.741
128 HB2 LEU 18 HB2 LEU 18 13.200 -1.509 -3.235
129 HB3 LEU 18 HB1 LEU 18 11.624 -1.112 -2.577
130 HG LEU 18 HG LEU 18 12.327 1.333 -3.370
131 HD11 LEU 18 HD11 LEU 18 14.060 -0.544 -4.902
132 HD12 LEU 18 HD12 LEU 18 14.408 1.075 -4.297
133 HD13 LEU 18 HD13 LEU 18 13.384 0.865 -5.718
134 HD21 LEU 18 HD21 LEU 18 10.344 -0.047 -4.034
135 HD22 LEU 18 HD22 LEU 18 11.331 -0.725 -5.329
136 HD23 LEU 18 HD23 LEU 18 10.976 1.002 -5.302
137 H GLY 19 HN GLY 19 11.393 -1.119 -0.037
138 HA2 GLY 19 HA2 GLY 19 9.826 1.214 0.214
139 HA3 GLY 19 HA1 GLY 19 9.704 -0.215 1.225
140 H LYS 20 HN LYS 20 12.730 0.380 1.758
141 HA LYS 20 HA LYS 20 12.221 1.904 4.162
142 HB2 LYS 20 HB2 LYS 20 14.371 0.118 3.201
143 HB3 LYS 20 HB1 LYS 20 14.855 1.392 4.312
144 HG2 LYS 20 HG2 LYS 20 12.537 -0.383 4.952
145 HG3 LYS 20 HG1 LYS 20 14.194 -0.910 5.257
146 HD2 LYS 20 HD2 LYS 20 14.332 1.495 6.385
147 HD3 LYS 20 HD1 LYS 20 12.598 1.223 6.569
148 HE2 LYS 20 HE2 LYS 20 13.968 -1.162 7.306
149 HE3 LYS 20 HE1 LYS 20 14.727 0.195 8.138
150 HZ1 LYS 20 HZ1 LYS 20 12.157 0.762 8.512
151 HZ2 LYS 20 HZ2 LYS 20 13.070 -0.163 9.594
152 HZ3 LYS 20 HZ3 LYS 20 12.070 -0.927 8.464
153 H LEU 21 HN LEU 21 14.633 2.048 1.593
154 HA LEU 21 HA LEU 21 15.249 4.802 2.208
155 HB2 LEU 21 HB2 LEU 21 16.130 3.394 -0.292
156 HB3 LEU 21 HB1 LEU 21 16.951 4.665 0.593
157 HG LEU 21 HG LEU 21 16.620 1.852 1.631
158 HD11 LEU 21 HD11 LEU 21 18.905 1.457 0.983
159 HD12 LEU 21 HD12 LEU 21 19.042 3.092 0.336
160 HD13 LEU 21 HD13 LEU 21 17.971 1.925 -0.438
161 HD21 LEU 21 HD21 LEU 21 17.099 3.004 3.521
162 HD22 LEU 21 HD22 LEU 21 17.841 4.345 2.649
163 HD23 LEU 21 HD23 LEU 21 18.745 2.854 2.907
164 H GLY 22 HN GLY 22 12.989 3.109 0.526
165 HA2 GLY 22 HA2 GLY 22 12.283 5.384 -1.198
166 HA3 GLY 22 HA1 GLY 22 11.851 3.705 -1.515
167 H LYS 23 HN LYS 23 11.670 4.343 1.754
168 HA LYS 23 HA LYS 23 8.974 3.836 2.002
169 HB2 LYS 23 HB2 LYS 23 10.979 4.026 3.756
170 HB3 LYS 23 HB1 LYS 23 10.247 5.600 4.035
171 HG2 LYS 23 HG2 LYS 23 8.060 4.385 4.372
172 HG3 LYS 23 HG1 LYS 23 9.000 2.892 4.390
173 HD2 LYS 23 HD2 LYS 23 8.761 3.500 6.651
174 HD3 LYS 23 HD1 LYS 23 10.402 3.980 6.213
175 HE2 LYS 23 HE2 LYS 23 8.416 6.065 5.735
176 HE3 LYS 23 HE1 LYS 23 8.523 5.579 7.427
177 HZ1 LYS 23 HZ1 LYS 23 10.878 6.326 5.785
178 HZ2 LYS 23 HZ2 LYS 23 10.828 6.087 7.459
179 HZ3 LYS 23 HZ3 LYS 23 10.042 7.418 6.771
180 H ASP 24 HN ASP 24 10.681 6.808 1.420
181 HA ASP 24 HA ASP 24 8.761 8.688 2.128
182 HB2 ASP 24 HB2 ASP 24 10.907 8.700 0.014
183 HB3 ASP 24 HB1 ASP 24 9.863 10.093 0.281
184 H ALA 25 HN ALA 25 8.891 6.535 -0.587
185 HA ALA 25 HA ALA 25 6.931 7.942 -2.161
186 HB1 ALA 25 HB1 ALA 25 8.807 6.118 -2.804
187 HB2 ALA 25 HB2 ALA 25 7.379 6.435 -3.789
188 HB3 ALA 25 HB3 ALA 25 7.394 5.071 -2.672
189 H VAL 26 HN VAL 26 7.040 5.185 -0.009
190 HA VAL 26 HA VAL 26 4.519 4.113 -0.259
191 HB VAL 26 HB VAL 26 6.296 4.465 2.130
192 HG11 VAL 26 HG11 VAL 26 4.743 2.384 2.863
193 HG12 VAL 26 HG12 VAL 26 3.561 3.361 1.992
194 HG13 VAL 26 HG13 VAL 26 4.438 4.049 3.359
195 HG21 VAL 26 HG21 VAL 26 6.538 1.947 1.754
196 HG22 VAL 26 HG22 VAL 26 7.311 3.026 0.593
197 HG23 VAL 26 HG23 VAL 26 5.785 2.240 0.186
198 H GLU 27 HN GLU 27 5.509 7.076 1.308
199 HA GLU 27 HA GLU 27 3.116 7.532 2.779
200 HB2 GLU 27 HB2 GLU 27 5.412 9.240 1.880
201 HB3 GLU 27 HB1 GLU 27 4.008 9.960 2.653
202 HG2 GLU 27 HG2 GLU 27 4.782 7.800 4.274
203 HG3 GLU 27 HG1 GLU 27 6.261 8.655 3.839
204 H ASP 28 HN ASP 28 4.465 8.722 -0.244
205 HA ASP 28 HA ASP 28 2.104 10.114 -0.996
206 HB2 ASP 28 HB2 ASP 28 4.681 10.266 -1.820
207 HB3 ASP 28 HB1 ASP 28 3.998 9.289 -3.115
208 H LEU 29 HN LEU 29 2.900 6.883 -0.825
209 HA LEU 29 HA LEU 29 1.084 6.151 -3.016
210 HB2 LEU 29 HB2 LEU 29 3.040 4.488 -1.431
211 HB3 LEU 29 HB1 LEU 29 1.954 3.844 -2.646
212 HG LEU 29 HG LEU 29 3.874 6.021 -3.378
213 HD11 LEU 29 HD11 LEU 29 5.578 4.423 -3.906
214 HD12 LEU 29 HD12 LEU 29 4.549 3.086 -3.391
215 HD13 LEU 29 HD13 LEU 29 5.152 4.242 -2.204
216 HD21 LEU 29 HD21 LEU 29 2.261 3.938 -4.763
217 HD22 LEU 29 HD22 LEU 29 3.770 4.474 -5.502
218 HD23 LEU 29 HD23 LEU 29 2.492 5.641 -5.163
219 H GLU 30 HN GLU 30 1.188 6.666 0.282
220 HA GLU 30 HA GLU 30 -0.665 4.616 1.038
221 HB2 GLU 30 HB2 GLU 30 1.097 5.519 2.570
222 HB3 GLU 30 HB1 GLU 30 0.199 7.030 2.628
223 HG2 GLU 30 HG2 GLU 30 -1.361 6.207 4.018
224 HG3 GLU 30 HG1 GLU 30 -1.350 4.614 3.263
225 H SER 31 HN SER 31 -0.804 7.906 -0.044
226 HA SER 31 HA SER 31 -3.597 8.129 0.750
227 HB2 SER 31 HB2 SER 31 -1.707 10.001 0.929
228 HB3 SER 31 HB1 SER 31 -2.248 10.340 -0.715
229 HG SER 31 HG SER 31 -4.094 11.064 0.031
230 H VAL 32 HN VAL 32 -1.856 7.087 -1.874
231 HA VAL 32 HA VAL 32 -3.457 8.058 -3.979
232 HB VAL 32 HB VAL 32 -1.925 5.454 -3.989
233 HG11 VAL 32 HG11 VAL 32 -2.153 5.460 -6.241
234 HG12 VAL 32 HG12 VAL 32 -2.055 7.218 -6.353
235 HG13 VAL 32 HG13 VAL 32 -3.570 6.447 -5.881
236 HG21 VAL 32 HG21 VAL 32 0.015 6.682 -4.738
237 HG22 VAL 32 HG22 VAL 32 -0.505 7.292 -3.169
238 HG23 VAL 32 HG23 VAL 32 -0.870 8.203 -4.632
239 H GLY 33 HN GLY 33 -3.551 4.853 -4.472
240 HA2 GLY 33 HA2 GLY 33 -6.264 4.544 -4.630
241 HA3 GLY 33 HA1 GLY 33 -5.157 3.208 -4.360
242 H LYS 34 HN LYS 34 -4.243 4.156 -1.778
243 HA LYS 34 HA LYS 34 -6.236 2.952 -0.153
244 HB2 LYS 34 HB2 LYS 34 -3.575 4.205 0.299
245 HB3 LYS 34 HB1 LYS 34 -4.641 4.042 1.688
246 HG2 LYS 34 HG2 LYS 34 -4.041 1.712 -0.096
247 HG3 LYS 34 HG1 LYS 34 -2.959 2.172 1.221
248 HD2 LYS 34 HD2 LYS 34 -4.588 1.742 2.855
249 HD3 LYS 34 HD1 LYS 34 -5.897 1.739 1.672
250 HE2 LYS 34 HE2 LYS 34 -5.344 -0.373 0.879
251 HE3 LYS 34 HE1 LYS 34 -3.696 -0.282 1.501
252 HZ1 LYS 34 HZ1 LYS 34 -6.176 -0.630 3.095
253 HZ2 LYS 34 HZ2 LYS 34 -4.639 -0.398 3.762
254 HZ3 LYS 34 HZ3 LYS 34 -4.961 -1.782 2.844
255 H GLY 35 HN GLY 35 -5.463 6.242 -0.999
256 HA2 GLY 35 HA2 GLY 35 -7.286 7.282 1.046
257 HA3 GLY 35 HA1 GLY 35 -6.199 8.237 0.050
258 H ALA 36 HN ALA 36 -7.387 6.341 -2.203
259 HA ALA 36 HA ALA 36 -9.252 8.283 -3.156
260 HB1 ALA 36 HB1 ALA 36 -9.601 6.239 -4.858
261 HB2 ALA 36 HB2 ALA 36 -8.033 5.796 -4.184
262 HB3 ALA 36 HB3 ALA 36 -8.247 7.364 -4.963
263 H VAL 37 HN VAL 37 -9.450 5.296 -1.414
264 HA VAL 37 HA VAL 37 -12.163 4.706 -1.971
265 HB VAL 37 HB VAL 37 -10.619 3.887 0.486
266 HG11 VAL 37 HG11 VAL 37 -12.199 1.801 -0.108
267 HG12 VAL 37 HG12 VAL 37 -13.198 3.116 -0.726
268 HG13 VAL 37 HG13 VAL 37 -12.689 3.114 0.963
269 HG21 VAL 37 HG21 VAL 37 -9.196 3.016 -1.050
270 HG22 VAL 37 HG22 VAL 37 -10.409 3.003 -2.329
271 HG23 VAL 37 HG23 VAL 37 -10.413 1.741 -1.097
272 H HIS 38 HN HIS 38 -10.607 6.007 0.935
273 HA HIS 38 HA HIS 38 -13.040 6.755 2.187
274 HB2 HIS 38 HB2 HIS 38 -10.143 7.376 2.675
275 HB3 HIS 38 HB1 HIS 38 -11.393 8.229 3.575
276 HD1 HIS 38 HD1 HIS 38 -11.652 7.204 5.799
277 HD2 HIS 38 HD2 HIS 38 -10.883 4.352 2.877
278 HE1 HIS 38 HE1 HIS 38 -11.686 4.992 6.994
279 HE2 HIS 38 HE2 HIS 38 -11.129 3.289 5.222
280 H ASP 39 HN ASP 39 -11.059 8.218 -0.221
281 HA ASP 39 HA ASP 39 -11.722 10.928 0.200
282 HB2 ASP 39 HB2 ASP 39 -10.500 9.327 -1.950
283 HB3 ASP 39 HB1 ASP 39 -11.315 10.790 -2.495
284 H VAL 40 HN VAL 40 -13.259 8.366 -1.667
285 HA VAL 40 HA VAL 40 -15.279 10.098 -2.756
286 HB VAL 40 HB VAL 40 -15.290 7.079 -2.661
287 HG11 VAL 40 HG11 VAL 40 -17.425 7.698 -3.294
288 HG12 VAL 40 HG12 VAL 40 -16.610 7.546 -4.851
289 HG13 VAL 40 HG13 VAL 40 -16.868 9.140 -4.143
290 HG21 VAL 40 HG21 VAL 40 -13.246 8.254 -3.723
291 HG22 VAL 40 HG22 VAL 40 -14.369 8.692 -5.010
292 HG23 VAL 40 HG23 VAL 40 -14.073 6.994 -4.638
293 H LYS 41 HN LYS 41 -14.967 7.965 -0.001
294 HA LYS 41 HA LYS 41 -17.677 7.706 0.675
295 HB2 LYS 41 HB2 LYS 41 -15.688 6.439 1.637
296 HB3 LYS 41 HB1 LYS 41 -15.415 7.839 2.664
297 HG2 LYS 41 HG2 LYS 41 -18.163 7.022 2.818
298 HG3 LYS 41 HG1 LYS 41 -17.095 5.657 3.152
299 HD2 LYS 41 HD2 LYS 41 -16.269 6.593 5.056
300 HD3 LYS 41 HD1 LYS 41 -16.433 8.241 4.445
301 HE2 LYS 41 HE2 LYS 41 -18.689 8.356 5.002
302 HE3 LYS 41 HE1 LYS 41 -18.857 6.602 5.081
303 HZ1 LYS 41 HZ1 LYS 41 -17.339 8.274 7.011
304 HZ2 LYS 41 HZ2 LYS 41 -17.529 6.596 7.094
305 HZ3 LYS 41 HZ3 LYS 41 -18.871 7.608 7.281
306 H ASP 42 HN ASP 42 -15.391 10.292 1.190
307 HA ASP 42 HA ASP 42 -16.973 11.684 3.127
308 HB2 ASP 42 HB2 ASP 42 -14.373 11.840 2.435
309 HB3 ASP 42 HB1 ASP 42 -15.006 13.193 1.503
310 H VAL 43 HN VAL 43 -16.522 11.877 -0.359
311 HA VAL 43 HA VAL 43 -18.220 14.183 -0.646
312 HB VAL 43 HB VAL 43 -17.304 12.299 -2.819
313 HG11 VAL 43 HG11 VAL 43 -18.803 13.606 -3.907
314 HG12 VAL 43 HG12 VAL 43 -17.426 14.706 -3.977
315 HG13 VAL 43 HG13 VAL 43 -18.667 14.923 -2.742
316 HG21 VAL 43 HG21 VAL 43 -15.922 14.726 -1.679
317 HG22 VAL 43 HG22 VAL 43 -15.453 13.910 -3.171
318 HG23 VAL 43 HG23 VAL 43 -15.349 13.058 -1.630
319 H LEU 44 HN LEU 44 -18.554 10.711 -0.847
320 HA LEU 44 HA LEU 44 -21.018 10.602 -2.195
321 HB2 LEU 44 HB2 LEU 44 -19.526 8.665 -1.862
322 HB3 LEU 44 HB1 LEU 44 -19.905 8.681 -0.150
323 HG LEU 44 HG LEU 44 -22.264 8.187 -0.677
324 HD11 LEU 44 HD11 LEU 44 -22.498 9.154 -2.844
325 HD12 LEU 44 HD12 LEU 44 -22.782 7.420 -2.997
326 HD13 LEU 44 HD13 LEU 44 -21.241 8.109 -3.507
327 HD21 LEU 44 HD21 LEU 44 -21.886 5.963 -0.738
328 HD22 LEU 44 HD22 LEU 44 -20.205 6.462 -0.551
329 HD23 LEU 44 HD23 LEU 44 -20.836 6.070 -2.151
330 H ASP 45 HN ASP 45 -20.186 11.230 1.129
331 HA ASP 45 HA ASP 45 -22.703 10.743 2.299
332 HB2 ASP 45 HB2 ASP 45 -20.204 12.105 3.075
333 HB3 ASP 45 HB1 ASP 45 -21.653 12.698 3.883
334 H SER 46 HN SER 46 -21.437 13.428 0.481
335 HA SER 46 HA SER 46 -23.549 15.237 1.255
336 HB2 SER 46 HB2 SER 46 -21.205 15.367 -0.604
337 HB3 SER 46 HB1 SER 46 -22.509 16.540 -0.786
338 HG SER 46 HG SER 46 -21.338 17.531 0.688
339 H VAL 47 HN VAL 47 -22.884 12.998 -1.338
340 HA VAL 47 HA VAL 47 -24.809 13.944 -3.181
341 HB VAL 47 HB VAL 47 -23.828 11.101 -2.892
342 HG11 VAL 47 HG11 VAL 47 -25.426 10.854 -4.471
343 HG12 VAL 47 HG12 VAL 47 -24.167 11.492 -5.529
344 HG13 VAL 47 HG13 VAL 47 -25.418 12.565 -4.902
345 HG21 VAL 47 HG21 VAL 47 -22.203 13.251 -3.237
346 HG22 VAL 47 HG22 VAL 47 -22.583 12.835 -4.908
347 HG23 VAL 47 HG23 VAL 47 -21.860 11.630 -3.843
348 H LEU 48 HN LEU 48 -24.991 11.837 -0.399
349 HA LEU 48 HA LEU 48 -27.730 11.061 -1.020
350 HB2 LEU 48 HB2 LEU 48 -25.962 9.502 -0.032
351 HB3 LEU 48 HB1 LEU 48 -26.187 10.377 1.471
352 HG LEU 48 HG LEU 48 -28.644 9.321 0.201
353 HD11 LEU 48 HD11 LEU 48 -28.303 7.091 0.635
354 HD12 LEU 48 HD12 LEU 48 -26.989 7.400 1.771
355 HD13 LEU 48 HD13 LEU 48 -26.715 7.570 0.037
356 HD21 LEU 48 HD21 LEU 48 -29.447 9.378 2.313
357 HD22 LEU 48 HD22 LEU 48 -28.119 10.515 2.545
358 HD23 LEU 48 HD23 LEU 48 -27.929 8.828 3.023
Start of MODEL 2
1 H1 SER 1 HT1 SER 1 10.028 -25.260 -2.274
2 H2 SER 1 HT2 SER 1 8.376 -25.676 -2.063
3 H3 SER 1 HT3 SER 1 9.083 -24.445 -1.098
4 HA SER 1 HA SER 1 9.249 -22.989 -2.850
5 HB2 SER 1 HB2 SER 1 8.906 -23.650 -5.162
6 HB3 SER 1 HB1 SER 1 10.099 -24.725 -4.434
7 HG SER 1 HG SER 1 8.258 -25.653 -5.728
8 H SER 2 HN SER 2 7.558 -21.950 -1.884
9 HA SER 2 HA SER 2 4.869 -22.718 -2.804
10 HB2 SER 2 HB2 SER 2 5.625 -23.019 -0.230
11 HB3 SER 2 HB1 SER 2 5.076 -21.343 -0.184
12 HG SER 2 HG SER 2 3.134 -22.113 -0.138
13 H LEU 3 HN LEU 3 3.301 -20.781 -2.304
14 HA LEU 3 HA LEU 3 4.258 -18.580 -3.851
15 HB2 LEU 3 HB2 LEU 3 1.701 -18.637 -2.267
16 HB3 LEU 3 HB1 LEU 3 2.052 -17.719 -3.719
17 HG LEU 3 HG LEU 3 2.225 -20.651 -4.011
18 HD11 LEU 3 HD11 LEU 3 -0.347 -19.240 -3.365
19 HD12 LEU 3 HD12 LEU 3 0.314 -20.707 -2.643
20 HD13 LEU 3 HD13 LEU 3 -0.295 -20.736 -4.297
21 HD21 LEU 3 HD21 LEU 3 2.432 -19.651 -6.040
22 HD22 LEU 3 HD22 LEU 3 1.435 -18.268 -5.586
23 HD23 LEU 3 HD23 LEU 3 0.675 -19.805 -6.001
24 H LEU 4 HN LEU 4 3.440 -19.052 -0.442
25 HA LEU 4 HA LEU 4 3.939 -16.344 0.299
26 HB2 LEU 4 HB2 LEU 4 3.699 -18.880 1.911
27 HB3 LEU 4 HB1 LEU 4 3.942 -17.302 2.636
28 HG LEU 4 HG LEU 4 1.557 -18.182 1.008
29 HD11 LEU 4 HD11 LEU 4 1.645 -19.056 3.302
30 HD12 LEU 4 HD12 LEU 4 0.329 -17.904 3.077
31 HD13 LEU 4 HD13 LEU 4 1.802 -17.408 3.911
32 HD21 LEU 4 HD21 LEU 4 2.004 -15.876 0.506
33 HD22 LEU 4 HD22 LEU 4 2.227 -15.503 2.215
34 HD23 LEU 4 HD23 LEU 4 0.634 -15.958 1.613
35 H GLU 5 HN GLU 5 5.924 -19.126 -0.180
36 HA GLU 5 HA GLU 5 8.116 -18.224 1.437
37 HB2 GLU 5 HB2 GLU 5 7.890 -20.374 -0.674
38 HB3 GLU 5 HB1 GLU 5 9.364 -20.051 0.229
39 HG2 GLU 5 HG2 GLU 5 7.961 -20.431 2.323
40 HG3 GLU 5 HG1 GLU 5 6.751 -21.114 1.238
41 H LYS 6 HN LYS 6 7.073 -17.899 -1.871
42 HA LYS 6 HA LYS 6 9.576 -16.568 -2.577
43 HB2 LYS 6 HB2 LYS 6 7.721 -18.208 -4.009
44 HB3 LYS 6 HB1 LYS 6 7.809 -16.638 -4.795
45 HG2 LYS 6 HG2 LYS 6 9.409 -18.130 -5.788
46 HG3 LYS 6 HG1 LYS 6 10.259 -16.860 -4.906
47 HD2 LYS 6 HD2 LYS 6 10.071 -18.701 -2.964
48 HD3 LYS 6 HD1 LYS 6 10.095 -19.764 -4.372
49 HE2 LYS 6 HE2 LYS 6 12.189 -18.917 -5.088
50 HE3 LYS 6 HE1 LYS 6 12.113 -17.575 -3.947
51 HZ1 LYS 6 HZ1 LYS 6 12.006 -20.247 -2.803
52 HZ2 LYS 6 HZ2 LYS 6 12.805 -18.863 -2.249
53 HZ3 LYS 6 HZ3 LYS 6 13.485 -19.791 -3.488
54 H GLY 7 HN GLY 7 6.219 -15.959 -1.966
55 HA2 GLY 7 HA2 GLY 7 6.117 -13.388 -3.217
56 HA3 GLY 7 HA1 GLY 7 4.935 -14.049 -2.099
57 H LEU 8 HN LEU 8 6.398 -14.435 0.179
58 HA LEU 8 HA LEU 8 6.638 -11.754 1.145
59 HB2 LEU 8 HB2 LEU 8 6.605 -14.456 2.280
60 HB3 LEU 8 HB1 LEU 8 7.669 -13.353 3.130
61 HG LEU 8 HG LEU 8 5.767 -11.785 3.414
62 HD11 LEU 8 HD11 LEU 8 4.237 -14.021 2.103
63 HD12 LEU 8 HD12 LEU 8 4.375 -12.347 1.567
64 HD13 LEU 8 HD13 LEU 8 3.480 -12.732 3.037
65 HD21 LEU 8 HD21 LEU 8 6.437 -13.744 4.997
66 HD22 LEU 8 HD22 LEU 8 4.896 -14.432 4.487
67 HD23 LEU 8 HD23 LEU 8 4.939 -12.857 5.279
68 H ASP 9 HN ASP 9 8.831 -14.268 0.131
69 HA ASP 9 HA ASP 9 11.179 -13.117 1.221
70 HB2 ASP 9 HB2 ASP 9 10.625 -15.233 -0.823
71 HB3 ASP 9 HB1 ASP 9 12.263 -14.615 -0.633
72 H GLY 10 HN GLY 10 9.512 -12.829 -1.855
73 HA2 GLY 10 HA2 GLY 10 11.577 -11.309 -3.131
74 HA3 GLY 10 HA1 GLY 10 9.932 -11.534 -3.713
75 H ALA 11 HN ALA 11 8.733 -10.587 -1.240
76 HA ALA 11 HA ALA 11 8.661 -7.826 -1.891
77 HB1 ALA 11 HB1 ALA 11 6.839 -9.442 -0.855
78 HB2 ALA 11 HB2 ALA 11 6.808 -7.701 -0.579
79 HB3 ALA 11 HB3 ALA 11 7.474 -8.777 0.649
80 H LYS 12 HN LYS 12 9.539 -9.495 1.113
81 HA LYS 12 HA LYS 12 10.483 -7.305 2.516
82 HB2 LYS 12 HB2 LYS 12 10.808 -10.229 2.699
83 HB3 LYS 12 HB1 LYS 12 12.056 -9.285 3.499
84 HG2 LYS 12 HG2 LYS 12 9.863 -8.012 4.396
85 HG3 LYS 12 HG1 LYS 12 9.216 -9.640 4.182
86 HD2 LYS 12 HD2 LYS 12 10.911 -10.562 5.615
87 HD3 LYS 12 HD1 LYS 12 11.736 -9.005 5.712
88 HE2 LYS 12 HE2 LYS 12 10.257 -8.160 7.209
89 HE3 LYS 12 HE1 LYS 12 8.895 -9.046 6.524
90 HZ1 LYS 12 HZ1 LYS 12 9.493 -10.979 7.679
91 HZ2 LYS 12 HZ2 LYS 12 9.665 -9.735 8.813
92 HZ3 LYS 12 HZ3 LYS 12 11.033 -10.393 8.066
93 H LYS 13 HN LYS 13 11.978 -8.887 -0.158
94 HA LYS 13 HA LYS 13 14.592 -7.769 0.525
95 HB2 LYS 13 HB2 LYS 13 15.461 -9.129 -1.302
96 HB3 LYS 13 HB1 LYS 13 14.505 -10.114 -0.201
97 HG2 LYS 13 HG2 LYS 13 13.556 -10.870 -2.087
98 HG3 LYS 13 HG1 LYS 13 12.613 -9.377 -1.981
99 HD2 LYS 13 HD2 LYS 13 13.360 -9.164 -4.118
100 HD3 LYS 13 HD1 LYS 13 14.718 -8.412 -3.280
101 HE2 LYS 13 HE2 LYS 13 15.932 -9.862 -4.514
102 HE3 LYS 13 HE1 LYS 13 15.504 -10.987 -3.226
103 HZ1 LYS 13 HZ1 LYS 13 14.952 -12.134 -5.136
104 HZ2 LYS 13 HZ2 LYS 13 14.369 -10.763 -5.936
105 HZ3 LYS 13 HZ3 LYS 13 13.463 -11.463 -4.690
106 H ALA 14 HN ALA 14 12.497 -7.911 -2.373
107 HA ALA 14 HA ALA 14 13.868 -5.765 -3.648
108 HB1 ALA 14 HB1 ALA 14 11.271 -7.155 -4.290
109 HB2 ALA 14 HB2 ALA 14 12.849 -7.450 -5.021
110 HB3 ALA 14 HB3 ALA 14 12.016 -5.923 -5.308
111 H VAL 15 HN VAL 15 10.832 -6.181 -1.929
112 HA VAL 15 HA VAL 15 10.188 -3.416 -2.252
113 HB VAL 15 HB VAL 15 8.728 -5.330 -0.459
114 HG11 VAL 15 HG11 VAL 15 7.009 -3.820 -0.436
115 HG12 VAL 15 HG12 VAL 15 7.450 -3.128 -1.997
116 HG13 VAL 15 HG13 VAL 15 8.387 -2.726 -0.558
117 HG21 VAL 15 HG21 VAL 15 7.982 -4.809 -3.320
118 HG22 VAL 15 HG22 VAL 15 7.405 -6.079 -2.241
119 HG23 VAL 15 HG23 VAL 15 9.051 -6.138 -2.871
120 H GLY 16 HN GLY 16 11.328 -5.530 0.306
121 HA2 GLY 16 HA2 GLY 16 11.105 -3.701 2.441
122 HA3 GLY 16 HA1 GLY 16 12.189 -5.083 2.388
123 H GLY 17 HN GLY 17 13.580 -4.176 0.001
124 HA2 GLY 17 HA2 GLY 17 15.481 -2.444 1.310
125 HA3 GLY 17 HA1 GLY 17 15.633 -3.138 -0.298
126 H LEU 18 HN LEU 18 13.162 -2.152 -1.334
127 HA LEU 18 HA LEU 18 14.008 0.528 -1.979
128 HB2 LEU 18 HB2 LEU 18 11.970 -1.380 -3.001
129 HB3 LEU 18 HB1 LEU 18 11.703 0.327 -3.299
130 HG LEU 18 HG LEU 18 14.195 0.219 -4.182
131 HD11 LEU 18 HD11 LEU 18 14.814 -1.842 -5.154
132 HD12 LEU 18 HD12 LEU 18 13.241 -2.561 -4.812
133 HD13 LEU 18 HD13 LEU 18 14.353 -2.205 -3.491
134 HD21 LEU 18 HD21 LEU 18 13.292 0.456 -6.238
135 HD22 LEU 18 HD22 LEU 18 11.782 0.504 -5.328
136 HD23 LEU 18 HD23 LEU 18 12.304 -0.998 -6.091
137 H GLY 19 HN GLY 19 11.230 -0.984 -0.407
138 HA2 GLY 19 HA2 GLY 19 9.800 1.413 0.078
139 HA3 GLY 19 HA1 GLY 19 9.550 -0.120 0.896
140 H LYS 20 HN LYS 20 12.595 0.183 1.558
141 HA LYS 20 HA LYS 20 12.122 1.421 4.129
142 HB2 LYS 20 HB2 LYS 20 14.246 -0.311 2.976
143 HB3 LYS 20 HB1 LYS 20 14.665 0.707 4.347
144 HG2 LYS 20 HG2 LYS 20 12.252 -1.054 4.445
145 HG3 LYS 20 HG1 LYS 20 13.861 -1.704 4.771
146 HD2 LYS 20 HD2 LYS 20 14.173 -0.073 6.554
147 HD3 LYS 20 HD1 LYS 20 12.592 0.629 6.206
148 HE2 LYS 20 HE2 LYS 20 11.475 -1.365 6.891
149 HE3 LYS 20 HE1 LYS 20 12.998 -2.247 7.003
150 HZ1 LYS 20 HZ1 LYS 20 13.656 -0.828 8.834
151 HZ2 LYS 20 HZ2 LYS 20 12.177 -1.573 9.180
152 HZ3 LYS 20 HZ3 LYS 20 12.215 0.052 8.714
153 H LEU 21 HN LEU 21 14.608 1.718 1.646
154 HA LEU 21 HA LEU 21 15.390 4.322 2.618
155 HB2 LEU 21 HB2 LEU 21 16.243 2.770 0.168
156 HB3 LEU 21 HB1 LEU 21 16.922 4.316 0.641
157 HG LEU 21 HG LEU 21 17.016 2.015 2.553
158 HD11 LEU 21 HD11 LEU 21 17.907 1.473 0.152
159 HD12 LEU 21 HD12 LEU 21 18.843 1.029 1.579
160 HD13 LEU 21 HD13 LEU 21 19.270 2.471 0.659
161 HD21 LEU 21 HD21 LEU 21 19.130 4.076 2.106
162 HD22 LEU 21 HD22 LEU 21 18.705 3.201 3.578
163 HD23 LEU 21 HD23 LEU 21 17.666 4.501 2.994
164 H GLY 22 HN GLY 22 13.069 3.017 0.690
165 HA2 GLY 22 HA2 GLY 22 12.569 5.542 -0.733
166 HA3 GLY 22 HA1 GLY 22 12.046 3.953 -1.289
167 H LYS 23 HN LYS 23 11.809 4.215 2.042
168 HA LYS 23 HA LYS 23 9.077 3.830 2.156
169 HB2 LYS 23 HB2 LYS 23 11.043 3.684 3.967
170 HB3 LYS 23 HB1 LYS 23 10.374 5.243 4.431
171 HG2 LYS 23 HG2 LYS 23 8.157 4.182 4.668
172 HG3 LYS 23 HG1 LYS 23 8.897 2.623 4.301
173 HD2 LYS 23 HD2 LYS 23 9.731 4.400 6.589
174 HD3 LYS 23 HD1 LYS 23 8.591 3.061 6.738
175 HE2 LYS 23 HE2 LYS 23 10.437 1.878 7.249
176 HE3 LYS 23 HE1 LYS 23 10.645 1.822 5.499
177 HZ1 LYS 23 HZ1 LYS 23 12.314 3.361 5.555
178 HZ2 LYS 23 HZ2 LYS 23 12.575 2.604 7.045
179 HZ3 LYS 23 HZ3 LYS 23 11.769 4.090 6.982
180 H ASP 24 HN ASP 24 10.988 6.752 2.099
181 HA ASP 24 HA ASP 24 9.117 8.620 2.951
182 HB2 ASP 24 HB2 ASP 24 11.569 8.684 1.298
183 HB3 ASP 24 HB1 ASP 24 10.474 10.048 1.095
184 H ALA 25 HN ALA 25 9.390 6.935 -0.082
185 HA ALA 25 HA ALA 25 7.567 8.654 -1.505
186 HB1 ALA 25 HB1 ALA 25 8.030 7.394 -3.350
187 HB2 ALA 25 HB2 ALA 25 8.094 5.885 -2.440
188 HB3 ALA 25 HB3 ALA 25 9.456 7.005 -2.388
189 H VAL 26 HN VAL 26 7.490 5.515 0.048
190 HA VAL 26 HA VAL 26 4.949 4.628 -0.536
191 HB VAL 26 HB VAL 26 6.602 4.376 1.955
192 HG11 VAL 26 HG11 VAL 26 3.970 3.093 1.276
193 HG12 VAL 26 HG12 VAL 26 4.445 3.917 2.762
194 HG13 VAL 26 HG13 VAL 26 5.112 2.330 2.382
195 HG21 VAL 26 HG21 VAL 26 6.785 1.983 0.986
196 HG22 VAL 26 HG22 VAL 26 7.728 3.281 0.253
197 HG23 VAL 26 HG23 VAL 26 6.240 2.731 -0.516
198 H GLU 27 HN GLU 27 5.970 7.122 1.689
199 HA GLU 27 HA GLU 27 3.532 7.339 3.139
200 HB2 GLU 27 HB2 GLU 27 5.907 9.130 2.725
201 HB3 GLU 27 HB1 GLU 27 4.505 9.673 3.633
202 HG2 GLU 27 HG2 GLU 27 4.804 7.826 5.205
203 HG3 GLU 27 HG1 GLU 27 6.212 7.283 4.295
204 H ASP 28 HN ASP 28 5.055 9.141 0.527
205 HA ASP 28 HA ASP 28 2.769 10.756 0.037
206 HB2 ASP 28 HB2 ASP 28 5.389 10.989 -0.637
207 HB3 ASP 28 HB1 ASP 28 4.721 10.393 -2.153
208 H LEU 29 HN LEU 29 3.472 7.548 -0.535
209 HA LEU 29 HA LEU 29 1.732 7.415 -2.899
210 HB2 LEU 29 HB2 LEU 29 3.611 5.390 -1.690
211 HB3 LEU 29 HB1 LEU 29 2.526 5.039 -3.021
212 HG LEU 29 HG LEU 29 4.559 7.242 -3.212
213 HD11 LEU 29 HD11 LEU 29 5.822 5.274 -2.640
214 HD12 LEU 29 HD12 LEU 29 6.028 5.617 -4.357
215 HD13 LEU 29 HD13 LEU 29 4.950 4.321 -3.840
216 HD21 LEU 29 HD21 LEU 29 2.694 5.840 -5.022
217 HD22 LEU 29 HD22 LEU 29 4.287 6.223 -5.675
218 HD23 LEU 29 HD23 LEU 29 3.260 7.510 -5.043
219 H GLU 30 HN GLU 30 1.728 7.112 0.433
220 HA GLU 30 HA GLU 30 -0.215 5.016 0.607
221 HB2 GLU 30 HB2 GLU 30 1.372 6.623 2.484
222 HB3 GLU 30 HB1 GLU 30 -0.235 6.208 3.065
223 HG2 GLU 30 HG2 GLU 30 0.252 3.832 2.603
224 HG3 GLU 30 HG1 GLU 30 1.890 4.290 2.139
225 H SER 31 HN SER 31 -0.200 8.488 0.434
226 HA SER 31 HA SER 31 -3.011 8.623 1.165
227 HB2 SER 31 HB2 SER 31 -0.974 10.341 1.704
228 HB3 SER 31 HB1 SER 31 -1.679 11.098 0.276
229 HG SER 31 HG SER 31 -3.257 11.749 1.482
230 H VAL 32 HN VAL 32 -1.236 8.147 -1.592
231 HA VAL 32 HA VAL 32 -2.745 9.644 -3.444
232 HB VAL 32 HB VAL 32 -1.289 7.064 -4.033
233 HG11 VAL 32 HG11 VAL 32 -1.450 7.607 -6.225
234 HG12 VAL 32 HG12 VAL 32 -1.298 9.337 -5.917
235 HG13 VAL 32 HG13 VAL 32 -2.848 8.531 -5.674
236 HG21 VAL 32 HG21 VAL 32 0.175 8.579 -2.781
237 HG22 VAL 32 HG22 VAL 32 -0.148 9.853 -3.955
238 HG23 VAL 32 HG23 VAL 32 0.701 8.389 -4.452
239 H GLY 33 HN GLY 33 -2.917 6.649 -4.677
240 HA2 GLY 33 HA2 GLY 33 -5.646 6.491 -4.928
241 HA3 GLY 33 HA1 GLY 33 -4.581 5.098 -5.014
242 H LYS 34 HN LYS 34 -3.666 5.352 -2.259
243 HA LYS 34 HA LYS 34 -5.614 3.751 -1.005
244 HB2 LYS 34 HB2 LYS 34 -2.987 4.825 -0.355
245 HB3 LYS 34 HB1 LYS 34 -4.042 4.764 1.050
246 HG2 LYS 34 HG2 LYS 34 -3.615 2.407 -0.762
247 HG3 LYS 34 HG1 LYS 34 -2.598 2.739 0.641
248 HD2 LYS 34 HD2 LYS 34 -4.457 2.534 2.127
249 HD3 LYS 34 HD1 LYS 34 -5.596 2.466 0.780
250 HE2 LYS 34 HE2 LYS 34 -3.480 0.413 1.422
251 HE3 LYS 34 HE1 LYS 34 -5.207 0.249 1.734
252 HZ1 LYS 34 HZ1 LYS 34 -3.876 0.428 -0.911
253 HZ2 LYS 34 HZ2 LYS 34 -5.552 0.495 -0.699
254 HZ3 LYS 34 HZ3 LYS 34 -4.701 -0.901 -0.267
255 H GLY 35 HN GLY 35 -5.084 7.192 -1.060
256 HA2 GLY 35 HA2 GLY 35 -7.046 7.596 1.083
257 HA3 GLY 35 HA1 GLY 35 -5.993 8.828 0.406
258 H ALA 36 HN ALA 36 -6.865 7.582 -2.326
259 HA ALA 36 HA ALA 36 -8.903 9.516 -2.839
260 HB1 ALA 36 HB1 ALA 36 -8.477 9.144 -5.025
261 HB2 ALA 36 HB2 ALA 36 -8.433 7.392 -4.830
262 HB3 ALA 36 HB3 ALA 36 -7.029 8.364 -4.389
263 H VAL 37 HN VAL 37 -8.823 6.143 -2.052
264 HA VAL 37 HA VAL 37 -11.431 5.503 -2.976
265 HB VAL 37 HB VAL 37 -9.847 4.079 -0.840
266 HG11 VAL 37 HG11 VAL 37 -11.894 3.085 -0.701
267 HG12 VAL 37 HG12 VAL 37 -11.208 2.136 -2.020
268 HG13 VAL 37 HG13 VAL 37 -12.315 3.463 -2.371
269 HG21 VAL 37 HG21 VAL 37 -8.678 2.912 -2.434
270 HG22 VAL 37 HG22 VAL 37 -8.801 4.488 -3.215
271 HG23 VAL 37 HG23 VAL 37 -9.893 3.185 -3.683
272 H HIS 38 HN HIS 38 -10.135 5.868 0.305
273 HA HIS 38 HA HIS 38 -12.644 5.911 1.585
274 HB2 HIS 38 HB2 HIS 38 -9.891 6.811 2.407
275 HB3 HIS 38 HB1 HIS 38 -11.281 7.042 3.463
276 HD1 HIS 38 HD1 HIS 38 -10.485 5.391 5.239
277 HD2 HIS 38 HD2 HIS 38 -10.840 3.710 1.455
278 HE1 HIS 38 HE1 HIS 38 -10.276 2.909 5.584
279 HE2 HIS 38 HE2 HIS 38 -10.406 1.919 3.270
280 H ASP 39 HN ASP 39 -10.890 8.308 -0.158
281 HA ASP 39 HA ASP 39 -12.031 10.615 1.049
282 HB2 ASP 39 HB2 ASP 39 -10.418 10.024 -1.360
283 HB3 ASP 39 HB1 ASP 39 -11.406 11.479 -1.439
284 H VAL 40 HN VAL 40 -12.996 8.505 -1.581
285 HA VAL 40 HA VAL 40 -15.153 10.195 -2.451
286 HB VAL 40 HB VAL 40 -14.727 7.271 -3.073
287 HG11 VAL 40 HG11 VAL 40 -16.388 7.424 -4.586
288 HG12 VAL 40 HG12 VAL 40 -15.976 9.081 -5.028
289 HG13 VAL 40 HG13 VAL 40 -16.922 8.765 -3.573
290 HG21 VAL 40 HG21 VAL 40 -13.159 7.771 -4.603
291 HG22 VAL 40 HG22 VAL 40 -12.934 9.233 -3.643
292 HG23 VAL 40 HG23 VAL 40 -13.957 9.270 -5.080
293 H LYS 41 HN LYS 41 -14.762 7.477 -0.278
294 HA LYS 41 HA LYS 41 -17.457 6.752 0.010
295 HB2 LYS 41 HB2 LYS 41 -15.601 5.367 0.821
296 HB3 LYS 41 HB1 LYS 41 -15.218 6.580 2.035
297 HG2 LYS 41 HG2 LYS 41 -16.413 4.854 3.125
298 HG3 LYS 41 HG1 LYS 41 -17.512 6.227 2.979
299 HD2 LYS 41 HD2 LYS 41 -18.844 4.438 2.339
300 HD3 LYS 41 HD1 LYS 41 -18.278 5.070 0.792
301 HE2 LYS 41 HE2 LYS 41 -16.489 3.370 0.789
302 HE3 LYS 41 HE1 LYS 41 -17.138 2.715 2.292
303 HZ1 LYS 41 HZ1 LYS 41 -18.237 1.381 0.872
304 HZ2 LYS 41 HZ2 LYS 41 -18.136 2.463 -0.424
305 HZ3 LYS 41 HZ3 LYS 41 -19.313 2.683 0.770
306 H ASP 42 HN ASP 42 -15.579 9.339 1.413
307 HA ASP 42 HA ASP 42 -17.460 10.000 3.458
308 HB2 ASP 42 HB2 ASP 42 -14.853 10.689 2.938
309 HB3 ASP 42 HB1 ASP 42 -15.713 12.170 2.530
310 H VAL 43 HN VAL 43 -16.870 11.085 0.166
311 HA VAL 43 HA VAL 43 -18.824 13.195 0.294
312 HB VAL 43 HB VAL 43 -17.586 11.988 -2.181
313 HG11 VAL 43 HG11 VAL 43 -18.279 14.847 -2.034
314 HG12 VAL 43 HG12 VAL 43 -19.641 13.726 -2.029
315 HG13 VAL 43 HG13 VAL 43 -18.478 13.694 -3.354
316 HG21 VAL 43 HG21 VAL 43 -16.512 13.946 -0.201
317 HG22 VAL 43 HG22 VAL 43 -16.094 14.118 -1.905
318 HG23 VAL 43 HG23 VAL 43 -15.690 12.633 -1.044
319 H LEU 44 HN LEU 44 -18.722 9.854 -0.726
320 HA LEU 44 HA LEU 44 -21.056 9.769 -2.265
321 HB2 LEU 44 HB2 LEU 44 -19.145 7.957 -1.452
322 HB3 LEU 44 HB1 LEU 44 -20.591 7.380 -0.646
323 HG LEU 44 HG LEU 44 -21.737 7.426 -2.901
324 HD11 LEU 44 HD11 LEU 44 -20.386 8.853 -4.186
325 HD12 LEU 44 HD12 LEU 44 -20.092 7.238 -4.829
326 HD13 LEU 44 HD13 LEU 44 -18.912 7.987 -3.753
327 HD21 LEU 44 HD21 LEU 44 -19.603 5.587 -2.012
328 HD22 LEU 44 HD22 LEU 44 -20.153 5.409 -3.678
329 HD23 LEU 44 HD23 LEU 44 -21.305 5.275 -2.349
330 H ASP 45 HN ASP 45 -20.570 9.805 1.186
331 HA ASP 45 HA ASP 45 -23.186 8.926 1.898
332 HB2 ASP 45 HB2 ASP 45 -20.928 10.250 3.363
333 HB3 ASP 45 HB1 ASP 45 -22.509 10.118 4.126
334 H SER 46 HN SER 46 -21.756 12.012 1.115
335 HA SER 46 HA SER 46 -24.027 13.528 2.065
336 HB2 SER 46 HB2 SER 46 -22.833 15.477 1.284
337 HB3 SER 46 HB1 SER 46 -21.686 14.422 2.109
338 HG SER 46 HG SER 46 -20.668 14.095 0.286
339 H VAL 47 HN VAL 47 -22.853 12.212 -0.950
340 HA VAL 47 HA VAL 47 -24.561 13.695 -2.669
341 HB VAL 47 HB VAL 47 -23.357 10.977 -3.200
342 HG11 VAL 47 HG11 VAL 47 -23.618 11.467 -5.503
343 HG12 VAL 47 HG12 VAL 47 -24.059 13.142 -5.168
344 HG13 VAL 47 HG13 VAL 47 -25.163 11.837 -4.736
345 HG21 VAL 47 HG21 VAL 47 -22.005 13.326 -4.303
346 HG22 VAL 47 HG22 VAL 47 -21.336 11.886 -3.537
347 HG23 VAL 47 HG23 VAL 47 -21.934 13.215 -2.545
348 H LEU 48 HN LEU 48 -24.939 10.771 -0.804
349 HA LEU 48 HA LEU 48 -26.731 9.438 -0.376
350 HB2 LEU 48 HB2 LEU 48 -27.752 11.760 -0.057
351 HB3 LEU 48 HB1 LEU 48 -28.451 11.552 -1.651
352 HG LEU 48 HG LEU 48 -29.310 9.277 -0.526
353 HD11 LEU 48 HD11 LEU 48 -30.142 10.270 1.808
354 HD12 LEU 48 HD12 LEU 48 -28.578 11.077 1.701
355 HD13 LEU 48 HD13 LEU 48 -28.668 9.317 1.643
356 HD21 LEU 48 HD21 LEU 48 -30.433 12.016 -0.707
357 HD22 LEU 48 HD22 LEU 48 -31.329 10.824 0.234
358 HD23 LEU 48 HD23 LEU 48 -30.970 10.517 -1.465
Start of MODEL 3
1 H1 SER 1 HT1 SER 1 9.972 -24.398 -5.291
2 H2 SER 1 HT2 SER 1 11.154 -25.636 -5.162
3 H3 SER 1 HT3 SER 1 11.242 -24.253 -4.149
4 HA SER 1 HA SER 1 8.957 -26.092 -4.137
5 HB2 SER 1 HB2 SER 1 10.321 -26.745 -1.902
6 HB3 SER 1 HB1 SER 1 10.520 -27.604 -3.430
7 HG SER 1 HG SER 1 12.177 -25.634 -2.275
8 H SER 2 HN SER 2 11.060 -23.980 -2.170
9 HA SER 2 HA SER 2 8.806 -23.250 -0.492
10 HB2 SER 2 HB2 SER 2 11.554 -22.040 -0.297
11 HB3 SER 2 HB1 SER 2 10.367 -22.300 0.981
12 HG SER 2 HG SER 2 12.360 -23.859 0.362
13 H LEU 3 HN LEU 3 7.442 -21.777 -1.265
14 HA LEU 3 HA LEU 3 8.254 -19.778 -3.162
15 HB2 LEU 3 HB2 LEU 3 5.874 -18.974 -2.849
16 HB3 LEU 3 HB1 LEU 3 6.074 -20.601 -3.469
17 HG LEU 3 HG LEU 3 5.801 -20.414 -0.540
18 HD11 LEU 3 HD11 LEU 3 3.225 -20.222 -1.958
19 HD12 LEU 3 HD12 LEU 3 4.161 -18.731 -1.847
20 HD13 LEU 3 HD13 LEU 3 3.706 -19.598 -0.380
21 HD21 LEU 3 HD21 LEU 3 5.155 -22.234 -2.751
22 HD22 LEU 3 HD22 LEU 3 3.962 -22.188 -1.453
23 HD23 LEU 3 HD23 LEU 3 5.642 -22.585 -1.093
24 H LEU 4 HN LEU 4 7.542 -19.884 0.274
25 HA LEU 4 HA LEU 4 7.553 -17.058 0.654
26 HB2 LEU 4 HB2 LEU 4 7.447 -19.463 2.372
27 HB3 LEU 4 HB1 LEU 4 8.095 -18.015 3.117
28 HG LEU 4 HG LEU 4 6.005 -16.811 2.467
29 HD11 LEU 4 HD11 LEU 4 5.571 -18.747 0.698
30 HD12 LEU 4 HD12 LEU 4 4.262 -17.799 1.404
31 HD13 LEU 4 HD13 LEU 4 4.634 -19.401 2.041
32 HD21 LEU 4 HD21 LEU 4 4.790 -17.564 4.310
33 HD22 LEU 4 HD22 LEU 4 6.453 -18.009 4.693
34 HD23 LEU 4 HD23 LEU 4 5.327 -19.231 4.103
35 H GLU 5 HN GLU 5 10.001 -19.507 0.493
36 HA GLU 5 HA GLU 5 12.026 -17.981 1.835
37 HB2 GLU 5 HB2 GLU 5 11.762 -20.619 1.263
38 HB3 GLU 5 HB1 GLU 5 12.844 -20.123 -0.031
39 HG2 GLU 5 HG2 GLU 5 14.154 -18.985 1.938
40 HG3 GLU 5 HG1 GLU 5 13.296 -20.183 2.906
41 H LYS 6 HN LYS 6 10.876 -18.384 -1.423
42 HA LYS 6 HA LYS 6 13.099 -16.801 -2.462
43 HB2 LYS 6 HB2 LYS 6 11.553 -18.951 -3.501
44 HB3 LYS 6 HB1 LYS 6 11.274 -17.548 -4.523
45 HG2 LYS 6 HG2 LYS 6 13.117 -18.924 -5.339
46 HG3 LYS 6 HG1 LYS 6 13.658 -17.306 -4.887
47 HD2 LYS 6 HD2 LYS 6 14.029 -18.618 -2.554
48 HD3 LYS 6 HD1 LYS 6 14.310 -19.926 -3.705
49 HE2 LYS 6 HE2 LYS 6 15.794 -18.117 -4.901
50 HE3 LYS 6 HE1 LYS 6 15.827 -17.394 -3.293
51 HZ1 LYS 6 HZ1 LYS 6 17.109 -19.039 -2.483
52 HZ2 LYS 6 HZ2 LYS 6 17.551 -19.244 -4.103
53 HZ3 LYS 6 HZ3 LYS 6 16.373 -20.245 -3.416
54 H GLY 7 HN GLY 7 9.723 -16.621 -1.733
55 HA2 GLY 7 HA2 GLY 7 9.184 -14.332 -3.388
56 HA3 GLY 7 HA1 GLY 7 8.124 -15.008 -2.163
57 H LEU 8 HN LEU 8 9.764 -14.825 0.086
58 HA LEU 8 HA LEU 8 9.444 -12.052 0.709
59 HB2 LEU 8 HB2 LEU 8 10.191 -14.510 2.168
60 HB3 LEU 8 HB1 LEU 8 10.831 -13.015 2.820
61 HG LEU 8 HG LEU 8 8.719 -13.681 3.892
62 HD11 LEU 8 HD11 LEU 8 9.073 -11.132 2.440
63 HD12 LEU 8 HD12 LEU 8 8.891 -11.443 4.167
64 HD13 LEU 8 HD13 LEU 8 7.475 -11.445 3.116
65 HD21 LEU 8 HD21 LEU 8 7.355 -14.755 2.425
66 HD22 LEU 8 HD22 LEU 8 7.808 -13.720 1.071
67 HD23 LEU 8 HD23 LEU 8 6.673 -13.134 2.287
68 H ASP 9 HN ASP 9 12.107 -14.125 -0.169
69 HA ASP 9 HA ASP 9 14.234 -12.541 0.676
70 HB2 ASP 9 HB2 ASP 9 13.975 -14.934 -0.666
71 HB3 ASP 9 HB1 ASP 9 14.718 -13.889 -1.873
72 H GLY 10 HN GLY 10 12.544 -12.581 -2.433
73 HA2 GLY 10 HA2 GLY 10 14.074 -10.419 -3.521
74 HA3 GLY 10 HA1 GLY 10 12.622 -11.125 -4.218
75 H ALA 11 HN ALA 11 11.053 -10.737 -1.801
76 HA ALA 11 HA ALA 11 10.137 -8.112 -2.367
77 HB1 ALA 11 HB1 ALA 11 9.284 -9.900 -0.105
78 HB2 ALA 11 HB2 ALA 11 8.651 -9.999 -1.749
79 HB3 ALA 11 HB3 ALA 11 8.387 -8.544 -0.789
80 H LYS 12 HN LYS 12 11.334 -9.568 0.637
81 HA LYS 12 HA LYS 12 11.435 -7.276 2.178
82 HB2 LYS 12 HB2 LYS 12 12.955 -9.853 2.253
83 HB3 LYS 12 HB1 LYS 12 13.361 -8.562 3.374
84 HG2 LYS 12 HG2 LYS 12 11.252 -8.639 4.399
85 HG3 LYS 12 HG1 LYS 12 10.558 -9.592 3.086
86 HD2 LYS 12 HD2 LYS 12 11.142 -11.493 4.085
87 HD3 LYS 12 HD1 LYS 12 12.820 -10.963 4.213
88 HE2 LYS 12 HE2 LYS 12 12.561 -10.200 6.347
89 HE3 LYS 12 HE1 LYS 12 10.860 -9.800 6.113
90 HZ1 LYS 12 HZ1 LYS 12 10.400 -12.221 6.113
91 HZ2 LYS 12 HZ2 LYS 12 11.007 -11.650 7.585
92 HZ3 LYS 12 HZ3 LYS 12 12.016 -12.501 6.527
93 H LYS 13 HN LYS 13 13.524 -8.133 -0.434
94 HA LYS 13 HA LYS 13 15.585 -6.273 0.480
95 HB2 LYS 13 HB2 LYS 13 16.926 -7.139 -1.372
96 HB3 LYS 13 HB1 LYS 13 16.317 -8.449 -0.368
97 HG2 LYS 13 HG2 LYS 13 15.709 -9.371 -2.312
98 HG3 LYS 13 HG1 LYS 13 14.350 -8.245 -2.223
99 HD2 LYS 13 HD2 LYS 13 15.032 -7.243 -4.081
100 HD3 LYS 13 HD1 LYS 13 16.586 -6.872 -3.331
101 HE2 LYS 13 HE2 LYS 13 17.333 -8.129 -5.074
102 HE3 LYS 13 HE1 LYS 13 17.040 -9.424 -3.914
103 HZ1 LYS 13 HZ1 LYS 13 14.651 -9.246 -5.061
104 HZ2 LYS 13 HZ2 LYS 13 15.873 -10.273 -5.622
105 HZ3 LYS 13 HZ3 LYS 13 15.623 -8.774 -6.363
106 H ALA 14 HN ALA 14 13.804 -6.864 -2.569
107 HA ALA 14 HA ALA 14 14.464 -4.297 -3.614
108 HB1 ALA 14 HB1 ALA 14 12.856 -6.623 -4.516
109 HB2 ALA 14 HB2 ALA 14 14.128 -5.734 -5.352
110 HB3 ALA 14 HB3 ALA 14 12.504 -5.055 -5.240
111 H VAL 15 HN VAL 15 11.645 -5.804 -2.155
112 HA VAL 15 HA VAL 15 10.139 -3.386 -2.376
113 HB VAL 15 HB VAL 15 9.302 -5.792 -0.792
114 HG11 VAL 15 HG11 VAL 15 7.745 -3.620 -2.184
115 HG12 VAL 15 HG12 VAL 15 7.968 -3.800 -0.444
116 HG13 VAL 15 HG13 VAL 15 7.043 -5.002 -1.344
117 HG21 VAL 15 HG21 VAL 15 10.014 -6.306 -3.195
118 HG22 VAL 15 HG22 VAL 15 8.610 -5.357 -3.682
119 HG23 VAL 15 HG23 VAL 15 8.396 -6.809 -2.704
120 H GLY 16 HN GLY 16 11.644 -5.261 0.198
121 HA2 GLY 16 HA2 GLY 16 10.752 -3.730 2.374
122 HA3 GLY 16 HA1 GLY 16 12.215 -4.704 2.352
123 H GLY 17 HN GLY 17 13.523 -3.303 0.233
124 HA2 GLY 17 HA2 GLY 17 14.591 -1.113 1.777
125 HA3 GLY 17 HA1 GLY 17 15.167 -1.667 0.212
126 H LEU 18 HN LEU 18 12.542 -1.464 -1.052
127 HA LEU 18 HA LEU 18 12.663 1.348 -1.693
128 HB2 LEU 18 HB2 LEU 18 11.258 -1.032 -2.819
129 HB3 LEU 18 HB1 LEU 18 10.669 0.569 -3.224
130 HG LEU 18 HG LEU 18 13.496 -0.373 -3.705
131 HD11 LEU 18 HD11 LEU 18 11.025 -0.588 -5.311
132 HD12 LEU 18 HD12 LEU 18 12.466 -1.604 -5.298
133 HD13 LEU 18 HD13 LEU 18 12.481 -0.065 -6.158
134 HD21 LEU 18 HD21 LEU 18 13.979 1.690 -4.430
135 HD22 LEU 18 HD22 LEU 18 12.566 2.188 -3.499
136 HD23 LEU 18 HD23 LEU 18 12.418 1.879 -5.229
137 H GLY 19 HN GLY 19 10.258 -0.884 -0.371
138 HA2 GLY 19 HA2 GLY 19 8.200 1.025 -0.041
139 HA3 GLY 19 HA1 GLY 19 8.306 -0.521 0.781
140 H LYS 20 HN LYS 20 11.078 0.600 1.707
141 HA LYS 20 HA LYS 20 10.051 1.652 4.198
142 HB2 LYS 20 HB2 LYS 20 12.563 0.420 3.297
143 HB3 LYS 20 HB1 LYS 20 12.751 1.678 4.511
144 HG2 LYS 20 HG2 LYS 20 10.772 -0.531 4.893
145 HG3 LYS 20 HG1 LYS 20 12.479 -0.762 5.277
146 HD2 LYS 20 HD2 LYS 20 12.348 1.258 6.737
147 HD3 LYS 20 HD1 LYS 20 10.608 1.296 6.445
148 HE2 LYS 20 HE2 LYS 20 10.440 -0.018 8.245
149 HE3 LYS 20 HE1 LYS 20 11.041 -1.308 7.204
150 HZ1 LYS 20 HZ1 LYS 20 13.155 -1.136 8.066
151 HZ2 LYS 20 HZ2 LYS 20 12.212 -0.832 9.436
152 HZ3 LYS 20 HZ3 LYS 20 12.939 0.452 8.609
153 H LEU 21 HN LEU 21 12.584 2.622 1.945
154 HA LEU 21 HA LEU 21 12.544 5.337 2.928
155 HB2 LEU 21 HB2 LEU 21 13.995 4.088 0.589
156 HB3 LEU 21 HB1 LEU 21 14.194 5.754 1.098
157 HG LEU 21 HG LEU 21 14.648 3.941 3.309
158 HD11 LEU 21 HD11 LEU 21 16.591 2.806 2.549
159 HD12 LEU 21 HD12 LEU 21 16.542 3.633 0.991
160 HD13 LEU 21 HD13 LEU 21 15.300 2.450 1.401
161 HD21 LEU 21 HD21 LEU 21 16.974 5.191 2.951
162 HD22 LEU 21 HD22 LEU 21 15.574 5.978 3.679
163 HD23 LEU 21 HD23 LEU 21 15.948 6.242 1.976
164 H GLY 22 HN GLY 22 10.843 3.462 0.829
165 HA2 GLY 22 HA2 GLY 22 9.813 5.761 -0.688
166 HA3 GLY 22 HA1 GLY 22 9.782 4.089 -1.246
167 H LYS 23 HN LYS 23 9.195 4.248 2.040
168 HA LYS 23 HA LYS 23 6.666 3.159 1.937
169 HB2 LYS 23 HB2 LYS 23 8.352 3.372 3.908
170 HB3 LYS 23 HB1 LYS 23 7.524 4.887 4.239
171 HG2 LYS 23 HG2 LYS 23 5.918 2.400 3.911
172 HG3 LYS 23 HG1 LYS 23 6.791 2.676 5.419
173 HD2 LYS 23 HD2 LYS 23 5.502 5.100 4.784
174 HD3 LYS 23 HD1 LYS 23 4.318 3.818 4.519
175 HE2 LYS 23 HE2 LYS 23 5.957 4.131 7.030
176 HE3 LYS 23 HE1 LYS 23 4.316 4.746 6.831
177 HZ1 LYS 23 HZ1 LYS 23 3.744 2.344 6.236
178 HZ2 LYS 23 HZ2 LYS 23 4.036 2.701 7.863
179 HZ3 LYS 23 HZ3 LYS 23 5.230 1.941 6.938
180 H ASP 24 HN ASP 24 7.725 6.479 1.935
181 HA ASP 24 HA ASP 24 5.395 7.811 2.613
182 HB2 ASP 24 HB2 ASP 24 7.902 8.548 1.741
183 HB3 ASP 24 HB1 ASP 24 6.864 9.092 0.426
184 H ALA 25 HN ALA 25 6.245 6.188 -0.349
185 HA ALA 25 HA ALA 25 4.106 7.343 -1.898
186 HB1 ALA 25 HB1 ALA 25 5.716 6.688 -3.363
187 HB2 ALA 25 HB2 ALA 25 4.781 5.193 -3.341
188 HB3 ALA 25 HB3 ALA 25 6.237 5.337 -2.356
189 H VAL 26 HN VAL 26 4.784 4.306 -0.283
190 HA VAL 26 HA VAL 26 2.551 2.814 -0.927
191 HB VAL 26 HB VAL 26 4.181 2.960 1.590
192 HG11 VAL 26 HG11 VAL 26 1.778 1.352 0.994
193 HG12 VAL 26 HG12 VAL 26 2.451 1.853 2.546
194 HG13 VAL 26 HG13 VAL 26 3.138 0.471 1.692
195 HG21 VAL 26 HG21 VAL 26 5.559 1.411 0.676
196 HG22 VAL 26 HG22 VAL 26 4.960 2.120 -0.824
197 HG23 VAL 26 HG23 VAL 26 4.259 0.620 -0.216
198 H GLU 27 HN GLU 27 2.925 5.429 1.372
199 HA GLU 27 HA GLU 27 0.454 5.060 2.737
200 HB2 GLU 27 HB2 GLU 27 2.487 7.232 2.508
201 HB3 GLU 27 HB1 GLU 27 0.910 7.621 3.176
202 HG2 GLU 27 HG2 GLU 27 2.285 5.255 4.292
203 HG3 GLU 27 HG1 GLU 27 2.969 6.834 4.674
204 H ASP 28 HN ASP 28 1.625 7.178 0.184
205 HA ASP 28 HA ASP 28 -0.912 8.327 -0.348
206 HB2 ASP 28 HB2 ASP 28 1.799 8.490 -1.484
207 HB3 ASP 28 HB1 ASP 28 0.508 8.703 -2.662
208 H LEU 29 HN LEU 29 0.377 5.297 -0.876
209 HA LEU 29 HA LEU 29 -1.307 4.799 -3.233
210 HB2 LEU 29 HB2 LEU 29 0.923 3.189 -1.991
211 HB3 LEU 29 HB1 LEU 29 -0.078 2.610 -3.309
212 HG LEU 29 HG LEU 29 1.467 5.168 -3.575
213 HD11 LEU 29 HD11 LEU 29 3.230 3.780 -4.700
214 HD12 LEU 29 HD12 LEU 29 2.477 2.361 -3.972
215 HD13 LEU 29 HD13 LEU 29 3.157 3.623 -2.945
216 HD21 LEU 29 HD21 LEU 29 1.451 4.287 -5.991
217 HD22 LEU 29 HD22 LEU 29 -0.050 4.931 -5.325
218 HD23 LEU 29 HD23 LEU 29 0.193 3.187 -5.428
219 H GLU 30 HN GLU 30 -1.223 4.532 0.112
220 HA GLU 30 HA GLU 30 -2.766 2.127 0.313
221 HB2 GLU 30 HB2 GLU 30 -1.079 3.227 2.030
222 HB3 GLU 30 HB1 GLU 30 -2.536 4.041 2.584
223 HG2 GLU 30 HG2 GLU 30 -3.414 2.165 3.471
224 HG3 GLU 30 HG1 GLU 30 -2.741 1.125 2.216
225 H SER 31 HN SER 31 -3.390 5.496 -0.056
226 HA SER 31 HA SER 31 -6.171 5.142 0.755
227 HB2 SER 31 HB2 SER 31 -4.437 7.215 1.251
228 HB3 SER 31 HB1 SER 31 -5.385 7.829 -0.103
229 HG SER 31 HG SER 31 -6.591 6.661 2.172
230 H VAL 32 HN VAL 32 -4.334 5.001 -1.994
231 HA VAL 32 HA VAL 32 -6.050 6.239 -3.852
232 HB VAL 32 HB VAL 32 -4.200 3.922 -4.429
233 HG11 VAL 32 HG11 VAL 32 -5.970 5.100 -6.083
234 HG12 VAL 32 HG12 VAL 32 -4.434 4.425 -6.625
235 HG13 VAL 32 HG13 VAL 32 -4.579 6.157 -6.323
236 HG21 VAL 32 HG21 VAL 32 -3.025 5.681 -3.174
237 HG22 VAL 32 HG22 VAL 32 -3.519 6.857 -4.391
238 HG23 VAL 32 HG23 VAL 32 -2.442 5.530 -4.830
239 H GLY 33 HN GLY 33 -5.739 3.254 -5.087
240 HA2 GLY 33 HA2 GLY 33 -8.380 2.656 -5.417
241 HA3 GLY 33 HA1 GLY 33 -7.119 1.434 -5.386
242 H LYS 34 HN LYS 34 -6.365 1.806 -2.644
243 HA LYS 34 HA LYS 34 -8.378 0.172 -1.423
244 HB2 LYS 34 HB2 LYS 34 -5.944 1.428 -0.147
245 HB3 LYS 34 HB1 LYS 34 -6.887 0.088 0.490
246 HG2 LYS 34 HG2 LYS 34 -5.799 -0.319 -2.209
247 HG3 LYS 34 HG1 LYS 34 -4.602 -0.185 -0.919
248 HD2 LYS 34 HD2 LYS 34 -6.871 -1.893 -0.232
249 HD3 LYS 34 HD1 LYS 34 -5.950 -2.472 -1.621
250 HE2 LYS 34 HE2 LYS 34 -4.724 -1.701 1.022
251 HE3 LYS 34 HE1 LYS 34 -5.164 -3.350 0.581
252 HZ1 LYS 34 HZ1 LYS 34 -2.778 -2.695 0.209
253 HZ2 LYS 34 HZ2 LYS 34 -3.319 -1.707 -1.052
254 HZ3 LYS 34 HZ3 LYS 34 -3.566 -3.379 -1.123
255 H GLY 35 HN GLY 35 -7.410 3.532 -1.243
256 HA2 GLY 35 HA2 GLY 35 -9.300 4.026 0.940
257 HA3 GLY 35 HA1 GLY 35 -8.111 5.164 0.326
258 H ALA 36 HN ALA 36 -9.720 3.668 -2.219
259 HA ALA 36 HA ALA 36 -11.041 6.082 -2.963
260 HB1 ALA 36 HB1 ALA 36 -11.986 4.522 -4.797
261 HB2 ALA 36 HB2 ALA 36 -10.853 3.338 -4.146
262 HB3 ALA 36 HB3 ALA 36 -10.257 4.871 -4.782
263 H VAL 37 HN VAL 37 -11.951 3.178 -1.311
264 HA VAL 37 HA VAL 37 -14.750 3.388 -1.695
265 HB VAL 37 HB VAL 37 -13.345 2.022 0.596
266 HG11 VAL 37 HG11 VAL 37 -15.880 1.072 -0.645
267 HG12 VAL 37 HG12 VAL 37 -15.935 2.443 0.464
268 HG13 VAL 37 HG13 VAL 37 -15.296 0.892 1.010
269 HG21 VAL 37 HG21 VAL 37 -12.341 0.856 -1.059
270 HG22 VAL 37 HG22 VAL 37 -13.548 1.313 -2.260
271 HG23 VAL 37 HG23 VAL 37 -13.891 0.018 -1.114
272 H HIS 38 HN HIS 38 -12.643 4.167 1.040
273 HA HIS 38 HA HIS 38 -14.740 5.467 2.502
274 HB2 HIS 38 HB2 HIS 38 -12.889 4.351 3.667
275 HB3 HIS 38 HB1 HIS 38 -11.746 5.478 2.944
276 HD1 HIS 38 HD1 HIS 38 -13.967 5.042 5.817
277 HD2 HIS 38 HD2 HIS 38 -12.065 8.202 3.902
278 HE1 HIS 38 HE1 HIS 38 -14.039 6.957 7.446
279 HE2 HIS 38 HE2 HIS 38 -12.812 8.834 6.297
280 H ASP 39 HN ASP 39 -12.464 6.396 0.090
281 HA ASP 39 HA ASP 39 -12.121 9.110 0.658
282 HB2 ASP 39 HB2 ASP 39 -11.808 7.368 -1.685
283 HB3 ASP 39 HB1 ASP 39 -12.159 9.046 -2.087
284 H VAL 40 HN VAL 40 -14.833 7.397 -0.704
285 HA VAL 40 HA VAL 40 -16.190 9.483 -1.957
286 HB VAL 40 HB VAL 40 -17.499 7.234 -0.427
287 HG11 VAL 40 HG11 VAL 40 -19.424 7.749 -1.480
288 HG12 VAL 40 HG12 VAL 40 -18.608 8.215 -2.972
289 HG13 VAL 40 HG13 VAL 40 -18.687 9.345 -1.620
290 HG21 VAL 40 HG21 VAL 40 -17.461 6.349 -2.964
291 HG22 VAL 40 HG22 VAL 40 -16.226 5.939 -1.775
292 HG23 VAL 40 HG23 VAL 40 -15.938 7.238 -2.933
293 H LYS 41 HN LYS 41 -16.070 8.546 1.431
294 HA LYS 41 HA LYS 41 -18.144 10.176 2.384
295 HB2 LYS 41 HB2 LYS 41 -16.880 8.326 3.613
296 HB3 LYS 41 HB1 LYS 41 -15.641 9.531 3.933
297 HG2 LYS 41 HG2 LYS 41 -18.119 10.672 4.662
298 HG3 LYS 41 HG1 LYS 41 -18.071 9.040 5.333
299 HD2 LYS 41 HD2 LYS 41 -15.564 9.927 5.904
300 HD3 LYS 41 HD1 LYS 41 -16.495 11.421 6.029
301 HE2 LYS 41 HE2 LYS 41 -17.605 10.731 7.870
302 HE3 LYS 41 HE1 LYS 41 -17.694 9.059 7.317
303 HZ1 LYS 41 HZ1 LYS 41 -15.207 9.008 7.829
304 HZ2 LYS 41 HZ2 LYS 41 -16.278 8.981 9.137
305 HZ3 LYS 41 HZ3 LYS 41 -15.483 10.416 8.726
306 H ASP 42 HN ASP 42 -14.828 10.880 1.553
307 HA ASP 42 HA ASP 42 -14.829 13.479 2.796
308 HB2 ASP 42 HB2 ASP 42 -12.895 12.211 0.844
309 HB3 ASP 42 HB1 ASP 42 -12.636 13.748 1.663
310 H VAL 43 HN VAL 43 -15.391 12.155 -0.400
311 HA VAL 43 HA VAL 43 -15.448 14.723 -1.698
312 HB VAL 43 HB VAL 43 -16.514 12.107 -2.761
313 HG11 VAL 43 HG11 VAL 43 -16.834 14.577 -3.795
314 HG12 VAL 43 HG12 VAL 43 -16.728 13.110 -4.769
315 HG13 VAL 43 HG13 VAL 43 -15.301 14.120 -4.536
316 HG21 VAL 43 HG21 VAL 43 -14.345 11.485 -2.378
317 HG22 VAL 43 HG22 VAL 43 -13.733 13.134 -2.509
318 HG23 VAL 43 HG23 VAL 43 -14.170 12.238 -3.964
319 H LEU 44 HN LEU 44 -17.744 12.530 -0.245
320 HA LEU 44 HA LEU 44 -20.083 13.701 -1.343
321 HB2 LEU 44 HB2 LEU 44 -19.625 11.417 -0.032
322 HB3 LEU 44 HB1 LEU 44 -20.194 12.385 1.315
323 HG LEU 44 HG LEU 44 -22.199 12.928 -0.276
324 HD11 LEU 44 HD11 LEU 44 -22.563 10.583 -1.508
325 HD12 LEU 44 HD12 LEU 44 -20.808 10.705 -1.637
326 HD13 LEU 44 HD13 LEU 44 -21.831 11.981 -2.297
327 HD21 LEU 44 HD21 LEU 44 -23.422 11.466 0.954
328 HD22 LEU 44 HD22 LEU 44 -21.918 11.373 1.870
329 HD23 LEU 44 HD23 LEU 44 -22.305 10.129 0.681
330 H ASP 45 HN ASP 45 -18.057 14.440 1.388
331 HA ASP 45 HA ASP 45 -19.894 16.069 2.803
332 HB2 ASP 45 HB2 ASP 45 -16.960 15.592 2.873
333 HB3 ASP 45 HB1 ASP 45 -17.547 17.082 3.604
334 H SER 46 HN SER 46 -17.798 16.625 0.080
335 HA SER 46 HA SER 46 -17.967 19.498 0.233
336 HB2 SER 46 HB2 SER 46 -16.028 18.189 -0.770
337 HB3 SER 46 HB1 SER 46 -17.079 17.868 -2.149
338 HG SER 46 HG SER 46 -16.754 19.828 -2.825
339 H VAL 47 HN VAL 47 -19.673 16.908 -1.361
340 HA VAL 47 HA VAL 47 -20.985 18.386 -3.355
341 HB VAL 47 HB VAL 47 -22.078 15.971 -1.907
342 HG11 VAL 47 HG11 VAL 47 -22.900 15.723 -4.452
343 HG12 VAL 47 HG12 VAL 47 -22.861 17.481 -4.319
344 HG13 VAL 47 HG13 VAL 47 -23.843 16.534 -3.202
345 HG21 VAL 47 HG21 VAL 47 -20.685 14.610 -3.032
346 HG22 VAL 47 HG22 VAL 47 -19.670 16.047 -3.158
347 HG23 VAL 47 HG23 VAL 47 -20.734 15.599 -4.491
348 H LEU 48 HN LEU 48 -21.620 17.989 0.057
349 HA LEU 48 HA LEU 48 -24.277 19.042 -0.009
350 HB2 LEU 48 HB2 LEU 48 -23.537 17.570 1.789
351 HB3 LEU 48 HB1 LEU 48 -22.327 18.741 2.275
352 HG LEU 48 HG LEU 48 -25.155 19.649 2.249
353 HD11 LEU 48 HD11 LEU 48 -25.469 17.524 3.277
354 HD12 LEU 48 HD12 LEU 48 -25.437 18.734 4.560
355 HD13 LEU 48 HD13 LEU 48 -24.022 17.722 4.265
356 HD21 LEU 48 HD21 LEU 48 -23.336 20.100 4.524
357 HD22 LEU 48 HD22 LEU 48 -24.403 21.222 3.681
358 HD23 LEU 48 HD23 LEU 48 -22.838 20.802 2.985
Start of MODEL 4
1 H1 SER 1 HT1 SER 1 5.666 -20.598 -6.040
2 H2 SER 1 HT2 SER 1 4.436 -21.787 -6.171
3 H3 SER 1 HT3 SER 1 6.058 -22.258 -5.867
4 HA SER 1 HA SER 1 4.987 -22.433 -3.855
5 HB2 SER 1 HB2 SER 1 7.141 -20.818 -4.255
6 HB3 SER 1 HB1 SER 1 6.054 -19.709 -3.420
7 HG SER 1 HG SER 1 7.271 -22.045 -2.507
8 H SER 2 HN SER 2 4.198 -20.696 -1.997
9 HA SER 2 HA SER 2 1.551 -19.981 -2.873
10 HB2 SER 2 HB2 SER 2 2.982 -20.114 -0.260
11 HB3 SER 2 HB1 SER 2 1.562 -19.074 -0.366
12 HG SER 2 HG SER 2 1.743 -21.862 -0.768
13 H LEU 3 HN LEU 3 0.603 -17.900 -2.721
14 HA LEU 3 HA LEU 3 2.141 -15.817 -3.781
15 HB2 LEU 3 HB2 LEU 3 0.155 -14.379 -3.169
16 HB3 LEU 3 HB1 LEU 3 -0.174 -15.761 -4.197
17 HG LEU 3 HG LEU 3 -0.503 -16.267 -1.315
18 HD11 LEU 3 HD11 LEU 3 -2.843 -15.177 -1.512
19 HD12 LEU 3 HD12 LEU 3 -2.086 -14.178 -2.752
20 HD13 LEU 3 HD13 LEU 3 -1.454 -14.170 -1.106
21 HD21 LEU 3 HD21 LEU 3 -1.981 -17.804 -2.041
22 HD22 LEU 3 HD22 LEU 3 -1.162 -17.569 -3.585
23 HD23 LEU 3 HD23 LEU 3 -2.673 -16.723 -3.251
24 H LEU 4 HN LEU 4 1.496 -16.739 -0.492
25 HA LEU 4 HA LEU 4 2.233 -14.254 0.700
26 HB2 LEU 4 HB2 LEU 4 1.793 -17.039 1.697
27 HB3 LEU 4 HB1 LEU 4 2.568 -15.864 2.743
28 HG LEU 4 HG LEU 4 -0.044 -15.188 1.449
29 HD11 LEU 4 HD11 LEU 4 0.396 -17.015 3.786
30 HD12 LEU 4 HD12 LEU 4 -0.654 -17.237 2.386
31 HD13 LEU 4 HD13 LEU 4 -1.074 -16.054 3.624
32 HD21 LEU 4 HD21 LEU 4 -0.124 -13.508 2.955
33 HD22 LEU 4 HD22 LEU 4 1.625 -13.733 2.968
34 HD23 LEU 4 HD23 LEU 4 0.633 -14.466 4.228
35 H GLU 5 HN GLU 5 3.960 -17.114 -0.317
36 HA GLU 5 HA GLU 5 6.387 -16.450 1.065
37 HB2 GLU 5 HB2 GLU 5 5.641 -18.494 -1.012
38 HB3 GLU 5 HB1 GLU 5 7.319 -18.241 -0.553
39 HG2 GLU 5 HG2 GLU 5 6.105 -18.495 1.875
40 HG3 GLU 5 HG1 GLU 5 5.161 -19.596 0.871
41 H LYS 6 HN LYS 6 4.978 -15.842 -2.059
42 HA LYS 6 HA LYS 6 7.459 -14.747 -3.099
43 HB2 LYS 6 HB2 LYS 6 4.727 -15.023 -4.357
44 HB3 LYS 6 HB1 LYS 6 6.145 -14.388 -5.178
45 HG2 LYS 6 HG2 LYS 6 5.924 -17.163 -4.032
46 HG3 LYS 6 HG1 LYS 6 5.669 -16.742 -5.727
47 HD2 LYS 6 HD2 LYS 6 8.222 -16.217 -4.210
48 HD3 LYS 6 HD1 LYS 6 7.945 -17.630 -5.229
49 HE2 LYS 6 HE2 LYS 6 7.296 -15.160 -6.601
50 HE3 LYS 6 HE1 LYS 6 8.964 -15.175 -6.029
51 HZ1 LYS 6 HZ1 LYS 6 8.950 -17.541 -7.075
52 HZ2 LYS 6 HZ2 LYS 6 9.167 -16.182 -8.058
53 HZ3 LYS 6 HZ3 LYS 6 7.655 -16.936 -7.980
54 H GLY 7 HN GLY 7 4.387 -13.701 -1.825
55 HA2 GLY 7 HA2 GLY 7 4.699 -10.962 -2.671
56 HA3 GLY 7 HA1 GLY 7 3.459 -11.589 -1.595
57 H LEU 8 HN LEU 8 5.250 -12.789 0.297
58 HA LEU 8 HA LEU 8 5.825 -10.479 1.880
59 HB2 LEU 8 HB2 LEU 8 5.055 -12.815 2.659
60 HB3 LEU 8 HB1 LEU 8 6.740 -13.273 2.501
61 HG LEU 8 HG LEU 8 6.274 -10.838 4.089
62 HD11 LEU 8 HD11 LEU 8 4.360 -12.015 4.873
63 HD12 LEU 8 HD12 LEU 8 5.624 -12.192 6.090
64 HD13 LEU 8 HD13 LEU 8 5.263 -13.525 4.993
65 HD21 LEU 8 HD21 LEU 8 7.724 -13.172 5.152
66 HD22 LEU 8 HD22 LEU 8 8.186 -11.471 5.103
67 HD23 LEU 8 HD23 LEU 8 8.370 -12.476 3.666
68 H ASP 9 HN ASP 9 7.644 -12.697 -0.102
69 HA ASP 9 HA ASP 9 10.215 -11.952 0.834
70 HB2 ASP 9 HB2 ASP 9 9.584 -14.063 -0.461
71 HB3 ASP 9 HB1 ASP 9 9.614 -13.057 -1.906
72 H GLY 10 HN GLY 10 8.024 -10.668 -1.545
73 HA2 GLY 10 HA2 GLY 10 9.947 -9.021 -2.884
74 HA3 GLY 10 HA1 GLY 10 8.197 -8.919 -3.032
75 H ALA 11 HN ALA 11 7.785 -8.656 -0.165
76 HA ALA 11 HA ALA 11 8.013 -5.832 -0.013
77 HB1 ALA 11 HB1 ALA 11 6.139 -7.236 0.932
78 HB2 ALA 11 HB2 ALA 11 6.764 -5.967 1.984
79 HB3 ALA 11 HB3 ALA 11 7.238 -7.645 2.249
80 H LYS 12 HN LYS 12 9.291 -8.395 2.076
81 HA LYS 12 HA LYS 12 10.865 -6.870 3.735
82 HB2 LYS 12 HB2 LYS 12 12.250 -8.938 4.031
83 HB3 LYS 12 HB1 LYS 12 10.518 -9.174 4.228
84 HG2 LYS 12 HG2 LYS 12 10.464 -10.687 2.610
85 HG3 LYS 12 HG1 LYS 12 11.305 -9.612 1.491
86 HD2 LYS 12 HD2 LYS 12 12.776 -11.097 3.646
87 HD3 LYS 12 HD1 LYS 12 12.422 -11.845 2.087
88 HE2 LYS 12 HE2 LYS 12 13.453 -9.539 1.222
89 HE3 LYS 12 HE1 LYS 12 14.294 -9.652 2.767
90 HZ1 LYS 12 HZ1 LYS 12 14.466 -11.421 0.428
91 HZ2 LYS 12 HZ2 LYS 12 14.770 -12.059 1.964
92 HZ3 LYS 12 HZ3 LYS 12 15.707 -10.778 1.381
93 H LYS 13 HN LYS 13 11.434 -7.552 0.393
94 HA LYS 13 HA LYS 13 14.241 -6.758 0.638
95 HB2 LYS 13 HB2 LYS 13 14.476 -7.547 -1.668
96 HB3 LYS 13 HB1 LYS 13 13.784 -8.792 -0.634
97 HG2 LYS 13 HG2 LYS 13 12.261 -9.008 -2.254
98 HG3 LYS 13 HG1 LYS 13 11.551 -7.548 -1.557
99 HD2 LYS 13 HD2 LYS 13 11.929 -6.433 -3.437
100 HD3 LYS 13 HD1 LYS 13 13.655 -6.782 -3.322
101 HE2 LYS 13 HE2 LYS 13 13.401 -8.818 -4.543
102 HE3 LYS 13 HE1 LYS 13 11.642 -8.709 -4.469
103 HZ1 LYS 13 HZ1 LYS 13 13.071 -7.916 -6.560
104 HZ2 LYS 13 HZ2 LYS 13 13.008 -6.460 -5.702
105 HZ3 LYS 13 HZ3 LYS 13 11.575 -7.237 -6.153
106 H ALA 14 HN ALA 14 11.498 -6.022 -1.549
107 HA ALA 14 HA ALA 14 12.731 -3.643 -2.515
108 HB1 ALA 14 HB1 ALA 14 10.009 -3.504 -3.122
109 HB2 ALA 14 HB2 ALA 14 10.404 -5.222 -3.154
110 HB3 ALA 14 HB3 ALA 14 11.305 -4.092 -4.163
111 H VAL 15 HN VAL 15 10.245 -4.439 -0.170
112 HA VAL 15 HA VAL 15 9.746 -1.678 0.359
113 HB VAL 15 HB VAL 15 8.705 -4.039 1.905
114 HG11 VAL 15 HG11 VAL 15 7.444 -2.625 3.112
115 HG12 VAL 15 HG12 VAL 15 7.141 -1.561 1.738
116 HG13 VAL 15 HG13 VAL 15 8.652 -1.430 2.638
117 HG21 VAL 15 HG21 VAL 15 6.908 -4.208 0.476
118 HG22 VAL 15 HG22 VAL 15 8.201 -3.810 -0.655
119 HG23 VAL 15 HG23 VAL 15 7.086 -2.556 -0.114
120 H GLY 16 HN GLY 16 11.154 -4.399 2.123
121 HA2 GLY 16 HA2 GLY 16 11.823 -2.928 4.445
122 HA3 GLY 16 HA1 GLY 16 12.541 -4.457 3.957
123 H GLY 17 HN GLY 17 13.705 -3.780 1.561
124 HA2 GLY 17 HA2 GLY 17 16.030 -2.351 2.496
125 HA3 GLY 17 HA1 GLY 17 15.838 -3.125 0.932
126 H LEU 18 HN LEU 18 14.107 -1.949 -0.481
127 HA LEU 18 HA LEU 18 15.085 0.722 -0.838
128 HB2 LEU 18 HB2 LEU 18 13.912 -1.248 -2.453
129 HB3 LEU 18 HB1 LEU 18 12.794 0.102 -2.475
130 HG LEU 18 HG LEU 18 15.453 1.100 -2.851
131 HD11 LEU 18 HD11 LEU 18 15.880 0.019 -5.060
132 HD12 LEU 18 HD12 LEU 18 14.658 -1.183 -4.645
133 HD13 LEU 18 HD13 LEU 18 16.119 -1.038 -3.669
134 HD21 LEU 18 HD21 LEU 18 13.262 0.916 -4.899
135 HD22 LEU 18 HD22 LEU 18 14.502 2.158 -4.724
136 HD23 LEU 18 HD23 LEU 18 13.196 2.043 -3.545
137 H GLY 19 HN GLY 19 12.067 -0.716 0.260
138 HA2 GLY 19 HA2 GLY 19 10.483 1.606 0.225
139 HA3 GLY 19 HA1 GLY 19 10.200 0.200 1.235
140 H LYS 20 HN LYS 20 13.101 0.851 2.255
141 HA LYS 20 HA LYS 20 12.171 2.414 4.502
142 HB2 LYS 20 HB2 LYS 20 14.468 0.646 3.954
143 HB3 LYS 20 HB1 LYS 20 14.776 1.974 5.064
144 HG2 LYS 20 HG2 LYS 20 12.412 0.182 5.443
145 HG3 LYS 20 HG1 LYS 20 14.014 -0.289 6.014
146 HD2 LYS 20 HD2 LYS 20 13.805 2.278 6.937
147 HD3 LYS 20 HD1 LYS 20 12.144 1.699 7.074
148 HE2 LYS 20 HE2 LYS 20 12.997 -0.286 8.300
149 HE3 LYS 20 HE1 LYS 20 14.610 0.425 8.253
150 HZ1 LYS 20 HZ1 LYS 20 12.282 1.200 9.837
151 HZ2 LYS 20 HZ2 LYS 20 13.304 2.440 9.307
152 HZ3 LYS 20 HZ3 LYS 20 13.920 1.185 10.259
153 H LEU 21 HN LEU 21 14.968 2.572 2.358
154 HA LEU 21 HA LEU 21 15.399 5.358 2.993
155 HB2 LEU 21 HB2 LEU 21 16.758 3.397 1.162
156 HB3 LEU 21 HB1 LEU 21 17.124 5.110 1.073
157 HG LEU 21 HG LEU 21 17.436 3.462 3.580
158 HD11 LEU 21 HD11 LEU 21 19.122 2.526 2.400
159 HD12 LEU 21 HD12 LEU 21 19.951 4.014 2.858
160 HD13 LEU 21 HD13 LEU 21 19.219 3.867 1.260
161 HD21 LEU 21 HD21 LEU 21 17.843 6.299 2.859
162 HD22 LEU 21 HD22 LEU 21 19.085 5.552 3.864
163 HD23 LEU 21 HD23 LEU 21 17.406 5.569 4.404
164 H GLY 22 HN GLY 22 13.507 3.553 1.006
165 HA2 GLY 22 HA2 GLY 22 13.044 5.757 -0.884
166 HA3 GLY 22 HA1 GLY 22 12.703 4.057 -1.209
167 H LYS 23 HN LYS 23 11.993 4.824 1.963
168 HA LYS 23 HA LYS 23 9.308 4.232 1.821
169 HB2 LYS 23 HB2 LYS 23 10.866 4.388 3.868
170 HB3 LYS 23 HB1 LYS 23 10.440 6.093 3.898
171 HG2 LYS 23 HG2 LYS 23 8.156 4.260 3.736
172 HG3 LYS 23 HG1 LYS 23 9.106 4.142 5.218
173 HD2 LYS 23 HD2 LYS 23 8.851 6.868 4.817
174 HD3 LYS 23 HD1 LYS 23 7.280 6.226 4.334
175 HE2 LYS 23 HE2 LYS 23 6.948 6.539 6.584
176 HE3 LYS 23 HE1 LYS 23 7.494 4.863 6.559
177 HZ1 LYS 23 HZ1 LYS 23 8.767 5.800 8.219
178 HZ2 LYS 23 HZ2 LYS 23 8.959 7.273 7.410
179 HZ3 LYS 23 HZ3 LYS 23 9.809 5.906 6.890
180 H ASP 24 HN ASP 24 10.994 7.242 1.353
181 HA ASP 24 HA ASP 24 8.974 9.098 1.684
182 HB2 ASP 24 HB2 ASP 24 11.490 8.976 0.145
183 HB3 ASP 24 HB1 ASP 24 10.318 10.160 -0.427
184 H ALA 25 HN ALA 25 9.549 6.895 -0.972
185 HA ALA 25 HA ALA 25 7.597 8.103 -2.715
186 HB1 ALA 25 HB1 ALA 25 7.941 5.922 -4.008
187 HB2 ALA 25 HB2 ALA 25 9.203 5.565 -2.829
188 HB3 ALA 25 HB3 ALA 25 9.330 6.998 -3.850
189 H VAL 26 HN VAL 26 7.829 5.296 -0.632
190 HA VAL 26 HA VAL 26 5.472 3.979 -1.093
191 HB VAL 26 HB VAL 26 6.963 4.473 1.462
192 HG11 VAL 26 HG11 VAL 26 4.650 2.601 0.968
193 HG12 VAL 26 HG12 VAL 26 4.741 3.908 2.149
194 HG13 VAL 26 HG13 VAL 26 5.739 2.467 2.348
195 HG21 VAL 26 HG21 VAL 26 8.309 3.239 0.000
196 HG22 VAL 26 HG22 VAL 26 6.951 2.271 -0.575
197 HG23 VAL 26 HG23 VAL 26 7.582 2.026 1.054
198 H GLU 27 HN GLU 27 5.969 7.027 0.519
199 HA GLU 27 HA GLU 27 3.459 7.179 1.844
200 HB2 GLU 27 HB2 GLU 27 5.555 9.167 1.035
201 HB3 GLU 27 HB1 GLU 27 4.027 9.703 1.717
202 HG2 GLU 27 HG2 GLU 27 5.314 7.609 3.281
203 HG3 GLU 27 HG1 GLU 27 6.286 9.072 3.132
204 H ASP 28 HN ASP 28 4.800 8.512 -1.123
205 HA ASP 28 HA ASP 28 2.307 9.548 -2.017
206 HB2 ASP 28 HB2 ASP 28 4.909 10.026 -2.708
207 HB3 ASP 28 HB1 ASP 28 4.370 9.030 -4.057
208 H LEU 29 HN LEU 29 3.559 6.470 -1.772
209 HA LEU 29 HA LEU 29 1.999 5.476 -4.055
210 HB2 LEU 29 HB2 LEU 29 4.055 4.081 -2.343
211 HB3 LEU 29 HB1 LEU 29 3.180 3.338 -3.666
212 HG LEU 29 HG LEU 29 4.895 5.763 -4.112
213 HD11 LEU 29 HD11 LEU 29 6.533 3.895 -4.965
214 HD12 LEU 29 HD12 LEU 29 5.724 2.931 -3.730
215 HD13 LEU 29 HD13 LEU 29 6.552 4.423 -3.283
216 HD21 LEU 29 HD21 LEU 29 4.586 5.369 -6.314
217 HD22 LEU 29 HD22 LEU 29 3.129 4.559 -5.740
218 HD23 LEU 29 HD23 LEU 29 4.573 3.617 -6.110
219 H GLU 30 HN GLU 30 1.832 6.002 -0.760
220 HA GLU 30 HA GLU 30 0.270 3.694 -0.097
221 HB2 GLU 30 HB2 GLU 30 1.776 4.852 1.532
222 HB3 GLU 30 HB1 GLU 30 0.661 6.211 1.519
223 HG2 GLU 30 HG2 GLU 30 -0.518 5.242 3.112
224 HG3 GLU 30 HG1 GLU 30 -0.865 3.896 2.028
225 H SER 31 HN SER 31 -0.294 7.022 -1.013
226 HA SER 31 HA SER 31 -3.125 6.807 -0.438
227 HB2 SER 31 HB2 SER 31 -1.896 8.931 0.017
228 HB3 SER 31 HB1 SER 31 -1.642 9.109 -1.719
229 HG SER 31 HG SER 31 -3.458 10.230 -1.377
230 H VAL 32 HN VAL 32 -1.140 5.980 -2.962
231 HA VAL 32 HA VAL 32 -2.786 6.653 -5.150
232 HB VAL 32 HB VAL 32 -0.866 4.324 -5.038
233 HG11 VAL 32 HG11 VAL 32 -1.169 6.005 -7.446
234 HG12 VAL 32 HG12 VAL 32 -2.563 5.014 -7.017
235 HG13 VAL 32 HG13 VAL 32 -0.995 4.256 -7.297
236 HG21 VAL 32 HG21 VAL 32 0.257 6.324 -4.210
237 HG22 VAL 32 HG22 VAL 32 -0.251 7.212 -5.645
238 HG23 VAL 32 HG23 VAL 32 0.871 5.860 -5.795
239 H GLY 33 HN GLY 33 -2.358 3.465 -5.565
240 HA2 GLY 33 HA2 GLY 33 -5.047 2.789 -5.686
241 HA3 GLY 33 HA1 GLY 33 -3.734 1.627 -5.587
242 H LYS 34 HN LYS 34 -2.882 2.766 -2.960
243 HA LYS 34 HA LYS 34 -4.499 1.064 -1.324
244 HB2 LYS 34 HB2 LYS 34 -2.040 2.671 -0.989
245 HB3 LYS 34 HB1 LYS 34 -2.988 2.417 0.469
246 HG2 LYS 34 HG2 LYS 34 -2.058 0.200 -1.339
247 HG3 LYS 34 HG1 LYS 34 -1.187 0.743 0.096
248 HD2 LYS 34 HD2 LYS 34 -2.495 -0.481 1.416
249 HD3 LYS 34 HD1 LYS 34 -3.945 0.267 0.744
250 HE2 LYS 34 HE2 LYS 34 -2.497 -1.892 -0.746
251 HE3 LYS 34 HE1 LYS 34 -3.639 -2.293 0.536
252 HZ1 LYS 34 HZ1 LYS 34 -4.809 -2.316 -1.511
253 HZ2 LYS 34 HZ2 LYS 34 -4.200 -0.805 -1.968
254 HZ3 LYS 34 HZ3 LYS 34 -5.299 -0.921 -0.687
255 H GLY 35 HN GLY 35 -4.342 4.491 -1.969
256 HA2 GLY 35 HA2 GLY 35 -6.135 5.110 0.248
257 HA3 GLY 35 HA1 GLY 35 -5.387 6.269 -0.839
258 H ALA 36 HN ALA 36 -6.703 3.754 -2.619
259 HA ALA 36 HA ALA 36 -8.764 5.425 -3.678
260 HB1 ALA 36 HB1 ALA 36 -8.978 3.869 -5.349
261 HB2 ALA 36 HB2 ALA 36 -8.650 2.509 -4.276
262 HB3 ALA 36 HB3 ALA 36 -7.328 3.542 -4.819
263 H VAL 37 HN VAL 37 -8.575 2.921 -1.292
264 HA VAL 37 HA VAL 37 -11.331 2.248 -1.254
265 HB VAL 37 HB VAL 37 -9.368 1.927 1.011
266 HG11 VAL 37 HG11 VAL 37 -10.832 0.425 1.949
267 HG12 VAL 37 HG12 VAL 37 -11.607 0.053 0.409
268 HG13 VAL 37 HG13 VAL 37 -11.956 1.576 1.226
269 HG21 VAL 37 HG21 VAL 37 -9.808 0.264 -1.450
270 HG22 VAL 37 HG22 VAL 37 -9.148 -0.427 0.033
271 HG23 VAL 37 HG23 VAL 37 -8.293 0.879 -0.788
272 H HIS 38 HN HIS 38 -9.343 4.060 1.058
273 HA HIS 38 HA HIS 38 -11.527 5.071 2.534
274 HB2 HIS 38 HB2 HIS 38 -9.283 4.956 3.487
275 HB3 HIS 38 HB1 HIS 38 -8.693 6.106 2.292
276 HD1 HIS 38 HD1 HIS 38 -10.354 5.889 5.571
277 HD2 HIS 38 HD2 HIS 38 -9.645 8.786 2.680
278 HE1 HIS 38 HE1 HIS 38 -10.808 8.089 6.700
279 HE2 HIS 38 HE2 HIS 38 -10.280 9.832 4.959
280 H ASP 39 HN ASP 39 -10.093 6.009 -0.454
281 HA ASP 39 HA ASP 39 -10.789 8.744 -0.478
282 HB2 ASP 39 HB2 ASP 39 -9.906 6.737 -2.444
283 HB3 ASP 39 HB1 ASP 39 -10.886 8.037 -3.116
284 H VAL 40 HN VAL 40 -12.578 5.828 -1.226
285 HA VAL 40 HA VAL 40 -14.791 7.179 -2.442
286 HB VAL 40 HB VAL 40 -14.778 4.400 -1.267
287 HG11 VAL 40 HG11 VAL 40 -16.965 4.689 -1.770
288 HG12 VAL 40 HG12 VAL 40 -16.407 4.277 -3.392
289 HG13 VAL 40 HG13 VAL 40 -16.641 5.966 -2.943
290 HG21 VAL 40 HG21 VAL 40 -13.489 5.480 -3.675
291 HG22 VAL 40 HG22 VAL 40 -14.471 4.039 -3.940
292 HG23 VAL 40 HG23 VAL 40 -13.152 4.004 -2.770
293 H LYS 41 HN LYS 41 -14.046 5.959 0.774
294 HA LYS 41 HA LYS 41 -16.581 6.245 1.927
295 HB2 LYS 41 HB2 LYS 41 -13.929 5.653 2.812
296 HB3 LYS 41 HB1 LYS 41 -14.618 6.859 3.891
297 HG2 LYS 41 HG2 LYS 41 -16.084 4.345 3.159
298 HG3 LYS 41 HG1 LYS 41 -14.952 4.424 4.511
299 HD2 LYS 41 HD2 LYS 41 -16.763 6.648 4.629
300 HD3 LYS 41 HD1 LYS 41 -17.675 5.144 4.488
301 HE2 LYS 41 HE2 LYS 41 -16.303 4.231 6.368
302 HE3 LYS 41 HE1 LYS 41 -15.601 5.837 6.562
303 HZ1 LYS 41 HZ1 LYS 41 -17.759 5.009 7.871
304 HZ2 LYS 41 HZ2 LYS 41 -18.502 5.719 6.528
305 HZ3 LYS 41 HZ3 LYS 41 -17.466 6.634 7.502
306 H ASP 42 HN ASP 42 -14.095 8.580 1.212
307 HA ASP 42 HA ASP 42 -15.211 10.659 2.848
308 HB2 ASP 42 HB2 ASP 42 -12.952 10.408 0.936
309 HB3 ASP 42 HB1 ASP 42 -13.618 12.022 1.170
310 H VAL 43 HN VAL 43 -15.387 9.710 -0.532
311 HA VAL 43 HA VAL 43 -16.883 12.039 -1.321
312 HB VAL 43 HB VAL 43 -16.561 9.454 -2.847
313 HG11 VAL 43 HG11 VAL 43 -18.229 11.501 -3.393
314 HG12 VAL 43 HG12 VAL 43 -17.485 10.484 -4.627
315 HG13 VAL 43 HG13 VAL 43 -16.774 12.047 -4.227
316 HG21 VAL 43 HG21 VAL 43 -14.577 10.245 -3.793
317 HG22 VAL 43 HG22 VAL 43 -14.409 10.628 -2.080
318 HG23 VAL 43 HG23 VAL 43 -14.854 11.892 -3.227
319 H LEU 44 HN LEU 44 -17.578 8.752 -0.339
320 HA LEU 44 HA LEU 44 -20.243 8.601 -1.192
321 HB2 LEU 44 HB2 LEU 44 -18.556 6.854 -0.065
322 HB3 LEU 44 HB1 LEU 44 -19.493 7.279 1.355
323 HG LEU 44 HG LEU 44 -21.558 6.720 -0.084
324 HD11 LEU 44 HD11 LEU 44 -19.798 6.522 -2.104
325 HD12 LEU 44 HD12 LEU 44 -21.336 5.661 -2.062
326 HD13 LEU 44 HD13 LEU 44 -19.852 4.839 -1.580
327 HD21 LEU 44 HD21 LEU 44 -21.627 4.696 0.928
328 HD22 LEU 44 HD22 LEU 44 -20.209 5.333 1.761
329 HD23 LEU 44 HD23 LEU 44 -20.010 4.246 0.387
330 H ASP 45 HN ASP 45 -18.775 10.109 1.589
331 HA ASP 45 HA ASP 45 -21.085 10.414 3.173
332 HB2 ASP 45 HB2 ASP 45 -18.386 11.661 3.077
333 HB3 ASP 45 HB1 ASP 45 -19.642 12.528 3.957
334 H SER 46 HN SER 46 -19.852 12.185 0.436
335 HA SER 46 HA SER 46 -21.682 14.400 0.822
336 HB2 SER 46 HB2 SER 46 -19.417 14.774 -0.118
337 HB3 SER 46 HB1 SER 46 -19.855 13.793 -1.516
338 HG SER 46 HG SER 46 -20.463 15.670 -2.271
339 H VAL 47 HN VAL 47 -21.334 11.595 -1.289
340 HA VAL 47 HA VAL 47 -23.402 12.181 -3.088
341 HB VAL 47 HB VAL 47 -22.594 9.415 -2.189
342 HG11 VAL 47 HG11 VAL 47 -24.541 9.315 -3.537
343 HG12 VAL 47 HG12 VAL 47 -23.187 8.884 -4.582
344 HG13 VAL 47 HG13 VAL 47 -23.897 10.496 -4.678
345 HG21 VAL 47 HG21 VAL 47 -21.216 9.873 -4.496
346 HG22 VAL 47 HG22 VAL 47 -20.539 10.003 -2.873
347 HG23 VAL 47 HG23 VAL 47 -21.121 11.446 -3.703
348 H LEU 48 HN LEU 48 -23.439 10.789 0.123
349 HA LEU 48 HA LEU 48 -26.381 10.766 0.015
350 HB2 LEU 48 HB2 LEU 48 -24.497 8.671 0.987
351 HB3 LEU 48 HB1 LEU 48 -26.010 8.886 1.847
352 HG LEU 48 HG LEU 48 -26.290 7.130 0.238
353 HD11 LEU 48 HD11 LEU 48 -27.670 9.270 -1.245
354 HD12 LEU 48 HD12 LEU 48 -27.977 9.206 0.490
355 HD13 LEU 48 HD13 LEU 48 -28.307 7.796 -0.516
356 HD21 LEU 48 HD21 LEU 48 -25.869 8.844 -2.124
357 HD22 LEU 48 HD22 LEU 48 -25.517 7.133 -1.883
358 HD23 LEU 48 HD23 LEU 48 -24.417 8.357 -1.250
Start of MODEL 5
1 H1 SER 1 HT1 SER 1 -0.335 -21.256 -2.812
2 H2 SER 1 HT2 SER 1 -1.199 -20.057 -3.685
3 H3 SER 1 HT3 SER 1 -1.666 -21.705 -3.793
4 HA SER 1 HA SER 1 -3.191 -20.740 -2.394
5 HB2 SER 1 HB2 SER 1 -2.008 -22.893 -1.680
6 HB3 SER 1 HB1 SER 1 -1.107 -21.897 -0.538
7 HG SER 1 HG SER 1 -3.449 -22.957 -0.156
8 H SER 2 HN SER 2 -3.814 -19.102 -1.076
9 HA SER 2 HA SER 2 -3.733 -17.132 0.058
10 HB2 SER 2 HB2 SER 2 -0.989 -18.015 0.975
11 HB3 SER 2 HB1 SER 2 -2.066 -16.872 1.776
12 HG SER 2 HG SER 2 -1.931 -19.338 2.341
13 H LEU 3 HN LEU 3 -3.692 -15.651 -1.572
14 HA LEU 3 HA LEU 3 -1.306 -15.047 -3.043
15 HB2 LEU 3 HB2 LEU 3 -4.120 -14.263 -3.093
16 HB3 LEU 3 HB1 LEU 3 -3.036 -12.935 -3.460
17 HG LEU 3 HG LEU 3 -2.655 -15.528 -4.890
18 HD11 LEU 3 HD11 LEU 3 -4.232 -14.243 -6.631
19 HD12 LEU 3 HD12 LEU 3 -4.993 -13.741 -5.122
20 HD13 LEU 3 HD13 LEU 3 -4.829 -15.456 -5.498
21 HD21 LEU 3 HD21 LEU 3 -2.314 -13.583 -6.696
22 HD22 LEU 3 HD22 LEU 3 -1.031 -14.130 -5.617
23 HD23 LEU 3 HD23 LEU 3 -1.952 -12.677 -5.226
24 H LEU 4 HN LEU 4 -2.878 -13.807 -0.197
25 HA LEU 4 HA LEU 4 -1.555 -11.299 -0.095
26 HB2 LEU 4 HB2 LEU 4 -2.598 -12.859 2.260
27 HB3 LEU 4 HB1 LEU 4 -2.392 -11.123 2.134
28 HG LEU 4 HG LEU 4 -4.181 -12.110 0.078
29 HD11 LEU 4 HD11 LEU 4 -6.035 -12.482 1.858
30 HD12 LEU 4 HD12 LEU 4 -4.687 -12.917 2.908
31 HD13 LEU 4 HD13 LEU 4 -4.968 -13.815 1.416
32 HD21 LEU 4 HD21 LEU 4 -5.161 -10.369 2.240
33 HD22 LEU 4 HD22 LEU 4 -5.236 -10.163 0.490
34 HD23 LEU 4 HD23 LEU 4 -3.751 -9.777 1.361
35 H GLU 5 HN GLU 5 -0.644 -14.525 0.792
36 HA GLU 5 HA GLU 5 1.503 -13.754 2.531
37 HB2 GLU 5 HB2 GLU 5 0.890 -16.396 1.193
38 HB3 GLU 5 HB1 GLU 5 2.123 -16.150 2.422
39 HG2 GLU 5 HG2 GLU 5 -0.655 -15.332 3.060
40 HG3 GLU 5 HG1 GLU 5 -0.287 -17.056 3.006
41 H LYS 6 HN LYS 6 1.081 -14.388 -0.864
42 HA LYS 6 HA LYS 6 3.958 -14.329 -1.315
43 HB2 LYS 6 HB2 LYS 6 1.605 -14.998 -3.061
44 HB3 LYS 6 HB1 LYS 6 3.197 -14.711 -3.748
45 HG2 LYS 6 HG2 LYS 6 2.587 -16.790 -1.658
46 HG3 LYS 6 HG1 LYS 6 2.690 -17.101 -3.392
47 HD2 LYS 6 HD2 LYS 6 4.911 -16.035 -1.647
48 HD3 LYS 6 HD1 LYS 6 4.777 -17.684 -2.261
49 HE2 LYS 6 HE2 LYS 6 4.825 -16.754 -4.572
50 HE3 LYS 6 HE1 LYS 6 5.138 -15.164 -3.876
51 HZ1 LYS 6 HZ1 LYS 6 7.191 -15.943 -2.975
52 HZ2 LYS 6 HZ2 LYS 6 7.160 -16.353 -4.616
53 HZ3 LYS 6 HZ3 LYS 6 6.868 -17.537 -3.443
54 H GLY 7 HN GLY 7 1.094 -12.395 -1.754
55 HA2 GLY 7 HA2 GLY 7 2.339 -10.498 -3.525
56 HA3 GLY 7 HA1 GLY 7 0.770 -10.331 -2.752
57 H LEU 8 HN LEU 8 1.618 -10.632 -0.065
58 HA LEU 8 HA LEU 8 2.514 -7.964 0.442
59 HB2 LEU 8 HB2 LEU 8 0.920 -9.535 1.821
60 HB3 LEU 8 HB1 LEU 8 2.416 -10.071 2.559
61 HG LEU 8 HG LEU 8 2.764 -7.447 2.866
62 HD11 LEU 8 HD11 LEU 8 0.781 -6.691 1.802
63 HD12 LEU 8 HD12 LEU 8 0.549 -6.474 3.537
64 HD13 LEU 8 HD13 LEU 8 -0.216 -7.830 2.707
65 HD21 LEU 8 HD21 LEU 8 2.907 -8.564 4.829
66 HD22 LEU 8 HD22 LEU 8 1.471 -9.537 4.508
67 HD23 LEU 8 HD23 LEU 8 1.302 -7.873 5.067
68 H ASP 9 HN ASP 9 3.962 -11.134 0.402
69 HA ASP 9 HA ASP 9 6.289 -10.599 1.850
70 HB2 ASP 9 HB2 ASP 9 5.490 -12.864 1.121
71 HB3 ASP 9 HB1 ASP 9 6.053 -12.480 -0.503
72 H GLY 10 HN GLY 10 5.426 -9.928 -1.474
73 HA2 GLY 10 HA2 GLY 10 8.074 -9.239 -2.321
74 HA3 GLY 10 HA1 GLY 10 6.581 -8.918 -3.193
75 H ALA 11 HN ALA 11 5.355 -7.534 -0.950
76 HA ALA 11 HA ALA 11 6.335 -4.935 -1.529
77 HB1 ALA 11 HB1 ALA 11 4.473 -4.118 -0.436
78 HB2 ALA 11 HB2 ALA 11 4.421 -5.471 0.694
79 HB3 ALA 11 HB3 ALA 11 3.922 -5.701 -0.982
80 H LYS 12 HN LYS 12 6.049 -6.693 1.537
81 HA LYS 12 HA LYS 12 7.393 -4.904 3.157
82 HB2 LYS 12 HB2 LYS 12 7.351 -7.914 3.399
83 HB3 LYS 12 HB1 LYS 12 7.762 -6.789 4.686
84 HG2 LYS 12 HG2 LYS 12 5.099 -6.783 3.294
85 HG3 LYS 12 HG1 LYS 12 5.433 -7.728 4.746
86 HD2 LYS 12 HD2 LYS 12 5.841 -5.777 6.030
87 HD3 LYS 12 HD1 LYS 12 5.889 -4.757 4.591
88 HE2 LYS 12 HE2 LYS 12 3.764 -4.291 5.197
89 HE3 LYS 12 HE1 LYS 12 3.425 -5.791 4.334
90 HZ1 LYS 12 HZ1 LYS 12 2.417 -6.313 6.260
91 HZ2 LYS 12 HZ2 LYS 12 3.331 -5.228 7.181
92 HZ3 LYS 12 HZ3 LYS 12 3.980 -6.732 6.757
93 H LYS 13 HN LYS 13 8.749 -6.956 0.738
94 HA LYS 13 HA LYS 13 11.419 -6.724 1.909
95 HB2 LYS 13 HB2 LYS 13 12.107 -8.343 0.214
96 HB3 LYS 13 HB1 LYS 13 10.720 -8.937 1.119
97 HG2 LYS 13 HG2 LYS 13 9.889 -9.405 -0.908
98 HG3 LYS 13 HG1 LYS 13 9.489 -7.683 -0.937
99 HD2 LYS 13 HD2 LYS 13 10.604 -7.817 -2.915
100 HD3 LYS 13 HD1 LYS 13 11.975 -7.512 -1.848
101 HE2 LYS 13 HE2 LYS 13 11.653 -10.271 -1.785
102 HE3 LYS 13 HE1 LYS 13 11.366 -9.838 -3.470
103 HZ1 LYS 13 HZ1 LYS 13 13.783 -10.255 -2.458
104 HZ2 LYS 13 HZ2 LYS 13 13.664 -8.586 -2.208
105 HZ3 LYS 13 HZ3 LYS 13 13.495 -9.221 -3.766
106 H ALA 14 HN ALA 14 9.945 -6.277 -1.322
107 HA ALA 14 HA ALA 14 12.142 -4.732 -2.269
108 HB1 ALA 14 HB1 ALA 14 10.979 -5.977 -3.905
109 HB2 ALA 14 HB2 ALA 14 10.564 -4.290 -4.208
110 HB3 ALA 14 HB3 ALA 14 9.416 -5.346 -3.384
111 H VAL 15 HN VAL 15 8.874 -4.089 -1.148
112 HA VAL 15 HA VAL 15 9.228 -1.276 -1.504
113 HB VAL 15 HB VAL 15 6.929 -2.572 -0.073
114 HG11 VAL 15 HG11 VAL 15 7.031 -0.004 -1.639
115 HG12 VAL 15 HG12 VAL 15 7.254 -0.101 0.108
116 HG13 VAL 15 HG13 VAL 15 5.721 -0.589 -0.613
117 HG21 VAL 15 HG21 VAL 15 5.778 -2.850 -2.109
118 HG22 VAL 15 HG22 VAL 15 7.387 -3.511 -2.397
119 HG23 VAL 15 HG23 VAL 15 6.970 -1.909 -3.004
120 H GLY 16 HN GLY 16 9.227 -3.573 1.137
121 HA2 GLY 16 HA2 GLY 16 9.197 -1.684 3.251
122 HA3 GLY 16 HA1 GLY 16 9.755 -3.347 3.364
123 H GLY 17 HN GLY 17 11.748 -2.983 1.244
124 HA2 GLY 17 HA2 GLY 17 13.871 -1.982 2.920
125 HA3 GLY 17 HA1 GLY 17 14.048 -2.694 1.324
126 H LEU 18 HN LEU 18 12.467 -1.042 -0.207
127 HA LEU 18 HA LEU 18 14.161 1.284 -0.387
128 HB2 LEU 18 HB2 LEU 18 12.521 -0.229 -2.157
129 HB3 LEU 18 HB1 LEU 18 11.978 1.437 -2.209
130 HG LEU 18 HG LEU 18 14.422 2.063 -2.607
131 HD11 LEU 18 HD11 LEU 18 14.600 -0.870 -3.280
132 HD12 LEU 18 HD12 LEU 18 15.362 -0.097 -1.890
133 HD13 LEU 18 HD13 LEU 18 15.855 0.346 -3.524
134 HD21 LEU 18 HD21 LEU 18 13.092 0.399 -4.737
135 HD22 LEU 18 HD22 LEU 18 14.225 1.730 -4.968
136 HD23 LEU 18 HD23 LEU 18 12.614 2.045 -4.323
137 H GLY 19 HN GLY 19 10.794 0.598 0.375
138 HA2 GLY 19 HA2 GLY 19 9.886 3.268 0.486
139 HA3 GLY 19 HA1 GLY 19 9.125 1.893 1.268
140 H LYS 20 HN LYS 20 11.944 1.591 2.601
141 HA LYS 20 HA LYS 20 11.213 3.098 4.959
142 HB2 LYS 20 HB2 LYS 20 13.082 0.864 4.372
143 HB3 LYS 20 HB1 LYS 20 13.429 1.878 5.766
144 HG2 LYS 20 HG2 LYS 20 10.706 0.707 5.393
145 HG3 LYS 20 HG1 LYS 20 12.016 -0.260 6.075
146 HD2 LYS 20 HD2 LYS 20 11.275 2.450 7.149
147 HD3 LYS 20 HD1 LYS 20 10.519 0.963 7.726
148 HE2 LYS 20 HE2 LYS 20 12.492 0.172 8.657
149 HE3 LYS 20 HE1 LYS 20 13.499 1.211 7.650
150 HZ1 LYS 20 HZ1 LYS 20 13.205 1.811 10.105
151 HZ2 LYS 20 HZ2 LYS 20 11.672 2.367 9.658
152 HZ3 LYS 20 HZ3 LYS 20 13.054 3.051 8.964
153 H LEU 21 HN LEU 21 14.184 2.667 3.109
154 HA LEU 21 HA LEU 21 15.297 5.114 4.166
155 HB2 LEU 21 HB2 LEU 21 17.220 4.627 2.708
156 HB3 LEU 21 HB1 LEU 21 16.809 3.258 3.723
157 HG LEU 21 HG LEU 21 15.398 2.610 1.525
158 HD11 LEU 21 HD11 LEU 21 17.837 3.562 0.174
159 HD12 LEU 21 HD12 LEU 21 16.641 4.795 0.575
160 HD13 LEU 21 HD13 LEU 21 16.185 3.416 -0.426
161 HD21 LEU 21 HD21 LEU 21 18.117 1.987 2.502
162 HD22 LEU 21 HD22 LEU 21 17.725 1.465 0.864
163 HD23 LEU 21 HD23 LEU 21 16.738 0.924 2.222
164 H GLY 22 HN GLY 22 13.224 4.188 1.793
165 HA2 GLY 22 HA2 GLY 22 13.639 6.633 0.212
166 HA3 GLY 22 HA1 GLY 22 12.898 5.153 -0.396
167 H LYS 23 HN LYS 23 11.997 5.711 2.772
168 HA LYS 23 HA LYS 23 9.298 5.943 2.268
169 HB2 LYS 23 HB2 LYS 23 10.644 5.447 4.472
170 HB3 LYS 23 HB1 LYS 23 10.465 7.176 4.733
171 HG2 LYS 23 HG2 LYS 23 8.104 7.019 4.777
172 HG3 LYS 23 HG1 LYS 23 8.138 5.358 4.182
173 HD2 LYS 23 HD2 LYS 23 8.931 4.522 6.218
174 HD3 LYS 23 HD1 LYS 23 9.459 6.114 6.767
175 HE2 LYS 23 HE2 LYS 23 7.506 5.628 7.995
176 HE3 LYS 23 HE1 LYS 23 7.017 6.780 6.753
177 HZ1 LYS 23 HZ1 LYS 23 6.569 4.481 5.496
178 HZ2 LYS 23 HZ2 LYS 23 5.398 5.273 6.424
179 HZ3 LYS 23 HZ3 LYS 23 6.279 3.992 7.090
180 H ASP 24 HN ASP 24 11.787 8.371 2.547
181 HA ASP 24 HA ASP 24 10.236 10.651 2.899
182 HB2 ASP 24 HB2 ASP 24 12.920 10.127 2.569
183 HB3 ASP 24 HB1 ASP 24 12.527 11.059 1.127
184 H ALA 25 HN ALA 25 11.362 9.178 -0.121
185 HA ALA 25 HA ALA 25 9.859 11.016 -1.755
186 HB1 ALA 25 HB1 ALA 25 11.005 10.163 -3.510
187 HB2 ALA 25 HB2 ALA 25 10.832 8.499 -2.951
188 HB3 ALA 25 HB3 ALA 25 12.062 9.544 -2.241
189 H VAL 26 HN VAL 26 9.636 7.671 -0.746
190 HA VAL 26 HA VAL 26 7.427 6.830 -2.197
191 HB VAL 26 HB VAL 26 8.453 6.078 0.514
192 HG11 VAL 26 HG11 VAL 26 7.051 3.985 0.225
193 HG12 VAL 26 HG12 VAL 26 6.178 4.857 -1.035
194 HG13 VAL 26 HG13 VAL 26 6.167 5.458 0.623
195 HG21 VAL 26 HG21 VAL 26 9.944 4.904 -0.633
196 HG22 VAL 26 HG22 VAL 26 9.230 5.454 -2.149
197 HG23 VAL 26 HG23 VAL 26 8.641 3.980 -1.379
198 H GLU 27 HN GLU 27 7.614 9.034 0.452
199 HA GLU 27 HA GLU 27 4.991 8.747 1.477
200 HB2 GLU 27 HB2 GLU 27 7.212 10.127 2.230
201 HB3 GLU 27 HB1 GLU 27 6.240 11.416 1.539
202 HG2 GLU 27 HG2 GLU 27 4.402 10.191 3.093
203 HG3 GLU 27 HG1 GLU 27 5.871 9.887 4.020
204 H ASP 28 HN ASP 28 6.530 10.981 -0.765
205 HA ASP 28 HA ASP 28 4.074 12.196 -1.524
206 HB2 ASP 28 HB2 ASP 28 6.707 12.927 -1.753
207 HB3 ASP 28 HB1 ASP 28 6.321 12.452 -3.404
208 H LEU 29 HN LEU 29 5.472 9.244 -2.166
209 HA LEU 29 HA LEU 29 4.194 9.035 -4.801
210 HB2 LEU 29 HB2 LEU 29 6.114 7.144 -3.447
211 HB3 LEU 29 HB1 LEU 29 5.455 6.948 -5.058
212 HG LEU 29 HG LEU 29 7.072 9.375 -4.350
213 HD11 LEU 29 HD11 LEU 29 8.750 7.940 -3.872
214 HD12 LEU 29 HD12 LEU 29 8.872 7.860 -5.629
215 HD13 LEU 29 HD13 LEU 29 8.005 6.603 -4.748
216 HD21 LEU 29 HD21 LEU 29 7.088 9.794 -6.569
217 HD22 LEU 29 HD22 LEU 29 5.618 8.820 -6.539
218 HD23 LEU 29 HD23 LEU 29 7.152 8.085 -7.002
219 H GLU 30 HN GLU 30 3.614 8.499 -1.581
220 HA GLU 30 HA GLU 30 2.172 6.036 -1.840
221 HB2 GLU 30 HB2 GLU 30 3.368 7.292 0.268
222 HB3 GLU 30 HB1 GLU 30 1.677 7.678 0.549
223 HG2 GLU 30 HG2 GLU 30 1.654 4.979 -0.056
224 HG3 GLU 30 HG1 GLU 30 3.101 5.190 0.929
225 H SER 31 HN SER 31 1.431 9.472 -1.556
226 HA SER 31 HA SER 31 -1.399 9.012 -1.517
227 HB2 SER 31 HB2 SER 31 0.191 11.112 -0.720
228 HB3 SER 31 HB1 SER 31 -0.549 11.731 -2.196
229 HG SER 31 HG SER 31 -2.461 11.719 -1.262
230 H VAL 32 HN VAL 32 0.905 9.086 -3.933
231 HA VAL 32 HA VAL 32 -0.616 10.233 -6.013
232 HB VAL 32 HB VAL 32 1.524 8.129 -6.358
233 HG11 VAL 32 HG11 VAL 32 -0.039 9.230 -8.236
234 HG12 VAL 32 HG12 VAL 32 1.638 8.775 -8.533
235 HG13 VAL 32 HG13 VAL 32 1.230 10.452 -8.170
236 HG21 VAL 32 HG21 VAL 32 3.141 9.987 -6.457
237 HG22 VAL 32 HG22 VAL 32 2.408 9.810 -4.864
238 HG23 VAL 32 HG23 VAL 32 1.870 11.095 -5.943
239 H GLY 33 HN GLY 33 0.183 7.348 -7.261
240 HA2 GLY 33 HA2 GLY 33 -2.469 6.520 -7.705
241 HA3 GLY 33 HA1 GLY 33 -1.033 5.569 -8.051
242 H LYS 34 HN LYS 34 -0.228 5.834 -5.150
243 HA LYS 34 HA LYS 34 -1.462 3.421 -4.257
244 HB2 LYS 34 HB2 LYS 34 0.635 5.264 -3.259
245 HB3 LYS 34 HB1 LYS 34 -0.194 4.296 -2.047
246 HG2 LYS 34 HG2 LYS 34 1.029 3.082 -4.504
247 HG3 LYS 34 HG1 LYS 34 1.944 3.347 -3.019
248 HD2 LYS 34 HD2 LYS 34 1.195 1.364 -2.329
249 HD3 LYS 34 HD1 LYS 34 -0.396 2.110 -2.175
250 HE2 LYS 34 HE2 LYS 34 -0.764 0.220 -3.505
251 HE3 LYS 34 HE1 LYS 34 -0.697 1.558 -4.651
252 HZ1 LYS 34 HZ1 LYS 34 1.227 0.820 -5.540
253 HZ2 LYS 34 HZ2 LYS 34 0.675 -0.674 -4.972
254 HZ3 LYS 34 HZ3 LYS 34 1.816 0.201 -4.080
255 H GLY 35 HN GLY 35 -1.905 6.832 -3.592
256 HA2 GLY 35 HA2 GLY 35 -3.631 6.412 -1.329
257 HA3 GLY 35 HA1 GLY 35 -3.341 7.936 -2.153
258 H ALA 36 HN ALA 36 -4.068 6.364 -4.727
259 HA ALA 36 HA ALA 36 -6.805 7.182 -4.769
260 HB1 ALA 36 HB1 ALA 36 -4.928 6.937 -6.683
261 HB2 ALA 36 HB2 ALA 36 -6.659 6.982 -7.015
262 HB3 ALA 36 HB3 ALA 36 -5.817 5.435 -6.931
263 H VAL 37 HN VAL 37 -5.107 4.214 -4.204
264 HA VAL 37 HA VAL 37 -7.273 2.451 -4.702
265 HB VAL 37 HB VAL 37 -4.900 1.961 -2.902
266 HG11 VAL 37 HG11 VAL 37 -5.342 -0.330 -3.127
267 HG12 VAL 37 HG12 VAL 37 -6.449 -0.073 -4.476
268 HG13 VAL 37 HG13 VAL 37 -6.922 0.402 -2.845
269 HG21 VAL 37 HG21 VAL 37 -3.565 1.597 -4.676
270 HG22 VAL 37 HG22 VAL 37 -4.709 2.637 -5.523
271 HG23 VAL 37 HG23 VAL 37 -4.861 0.884 -5.635
272 H HIS 38 HN HIS 38 -5.803 3.638 -1.705
273 HA HIS 38 HA HIS 38 -7.831 2.582 -0.018
274 HB2 HIS 38 HB2 HIS 38 -5.390 3.336 0.546
275 HB3 HIS 38 HB1 HIS 38 -6.122 4.923 0.763
276 HD1 HIS 38 HD1 HIS 38 -4.864 3.627 3.176
277 HD2 HIS 38 HD2 HIS 38 -8.848 3.068 2.135
278 HE1 HIS 38 HE1 HIS 38 -6.024 2.943 5.299
279 HE2 HIS 38 HE2 HIS 38 -8.417 2.531 4.628
280 H ASP 39 HN ASP 39 -7.558 5.420 -1.948
281 HA ASP 39 HA ASP 39 -9.265 7.160 -0.552
282 HB2 ASP 39 HB2 ASP 39 -8.026 7.042 -3.168
283 HB3 ASP 39 HB1 ASP 39 -9.664 7.679 -3.276
284 H VAL 40 HN VAL 40 -9.915 4.566 -2.830
285 HA VAL 40 HA VAL 40 -12.687 5.135 -3.141
286 HB VAL 40 HB VAL 40 -11.334 2.473 -3.564
287 HG11 VAL 40 HG11 VAL 40 -13.913 3.688 -4.503
288 HG12 VAL 40 HG12 VAL 40 -13.652 2.155 -3.672
289 HG13 VAL 40 HG13 VAL 40 -13.155 2.342 -5.354
290 HG21 VAL 40 HG21 VAL 40 -10.041 3.863 -4.892
291 HG22 VAL 40 HG22 VAL 40 -11.389 4.941 -5.254
292 HG23 VAL 40 HG23 VAL 40 -11.308 3.347 -6.005
293 H LYS 41 HN LYS 41 -10.864 2.859 -1.141
294 HA LYS 41 HA LYS 41 -13.056 1.566 0.037
295 HB2 LYS 41 HB2 LYS 41 -10.715 0.750 0.139
296 HB3 LYS 41 HB1 LYS 41 -10.331 2.057 1.252
297 HG2 LYS 41 HG2 LYS 41 -10.667 0.014 2.477
298 HG3 LYS 41 HG1 LYS 41 -11.966 1.147 2.850
299 HD2 LYS 41 HD2 LYS 41 -13.470 -0.016 1.368
300 HD3 LYS 41 HD1 LYS 41 -12.170 -1.077 0.823
301 HE2 LYS 41 HE2 LYS 41 -11.950 -1.789 3.257
302 HE3 LYS 41 HE1 LYS 41 -13.492 -0.977 3.520
303 HZ1 LYS 41 HZ1 LYS 41 -12.921 -3.470 2.145
304 HZ2 LYS 41 HZ2 LYS 41 -14.087 -2.485 1.416
305 HZ3 LYS 41 HZ3 LYS 41 -14.296 -3.001 3.013
306 H ASP 42 HN ASP 42 -11.489 4.605 0.745
307 HA ASP 42 HA ASP 42 -12.681 4.970 3.313
308 HB2 ASP 42 HB2 ASP 42 -10.662 6.214 1.899
309 HB3 ASP 42 HB1 ASP 42 -11.944 7.421 1.894
310 H VAL 43 HN VAL 43 -13.502 5.926 0.029
311 HA VAL 43 HA VAL 43 -15.759 7.516 0.843
312 HB VAL 43 HB VAL 43 -15.122 6.478 -1.921
313 HG11 VAL 43 HG11 VAL 43 -17.416 7.621 -1.085
314 HG12 VAL 43 HG12 VAL 43 -16.772 7.793 -2.718
315 HG13 VAL 43 HG13 VAL 43 -16.489 9.057 -1.520
316 HG21 VAL 43 HG21 VAL 43 -13.467 8.072 -0.471
317 HG22 VAL 43 HG22 VAL 43 -14.483 9.270 -1.273
318 HG23 VAL 43 HG23 VAL 43 -13.586 8.091 -2.230
319 H LEU 44 HN LEU 44 -15.175 4.240 -0.234
320 HA LEU 44 HA LEU 44 -17.850 3.543 -0.802
321 HB2 LEU 44 HB2 LEU 44 -15.476 2.323 -1.168
322 HB3 LEU 44 HB1 LEU 44 -16.040 1.449 0.243
323 HG LEU 44 HG LEU 44 -18.249 1.295 -1.300
324 HD11 LEU 44 HD11 LEU 44 -17.764 1.039 -3.574
325 HD12 LEU 44 HD12 LEU 44 -16.023 1.014 -3.292
326 HD13 LEU 44 HD13 LEU 44 -16.924 2.518 -3.107
327 HD21 LEU 44 HD21 LEU 44 -16.987 -0.910 -2.148
328 HD22 LEU 44 HD22 LEU 44 -17.606 -0.724 -0.507
329 HD23 LEU 44 HD23 LEU 44 -15.899 -0.437 -0.843
330 H ASP 45 HN ASP 45 -16.008 3.711 2.151
331 HA ASP 45 HA ASP 45 -17.589 2.103 3.805
332 HB2 ASP 45 HB2 ASP 45 -15.344 3.085 4.378
333 HB3 ASP 45 HB1 ASP 45 -16.152 4.627 4.642
334 H SER 46 HN SER 46 -18.063 5.349 2.621
335 HA SER 46 HA SER 46 -20.218 5.924 4.457
336 HB2 SER 46 HB2 SER 46 -19.002 7.389 2.124
337 HB3 SER 46 HB1 SER 46 -20.492 7.950 2.881
338 HG SER 46 HG SER 46 -18.117 8.534 3.658
339 H VAL 47 HN VAL 47 -19.838 4.827 1.148
340 HA VAL 47 HA VAL 47 -22.472 5.196 0.260
341 HB VAL 47 HB VAL 47 -20.633 2.955 -0.581
342 HG11 VAL 47 HG11 VAL 47 -21.930 3.725 -2.807
343 HG12 VAL 47 HG12 VAL 47 -23.160 4.088 -1.596
344 HG13 VAL 47 HG13 VAL 47 -22.511 2.454 -1.732
345 HG21 VAL 47 HG21 VAL 47 -19.978 4.600 -2.406
346 HG22 VAL 47 HG22 VAL 47 -19.319 4.897 -0.797
347 HG23 VAL 47 HG23 VAL 47 -20.681 5.852 -1.381
348 H LEU 48 HN LEU 48 -21.004 2.697 2.216
349 HA LEU 48 HA LEU 48 -23.438 1.084 2.135
350 HB2 LEU 48 HB2 LEU 48 -20.629 0.636 2.987
351 HB3 LEU 48 HB1 LEU 48 -21.871 -0.276 3.823
352 HG LEU 48 HG LEU 48 -21.894 -0.285 0.843
353 HD11 LEU 48 HD11 LEU 48 -20.091 -1.617 0.556
354 HD12 LEU 48 HD12 LEU 48 -20.240 -2.352 2.152
355 HD13 LEU 48 HD13 LEU 48 -19.518 -0.752 1.982
356 HD21 LEU 48 HD21 LEU 48 -22.240 -2.712 2.487
357 HD22 LEU 48 HD22 LEU 48 -23.155 -2.144 1.090
358 HD23 LEU 48 HD23 LEU 48 -23.460 -1.454 2.684
Start of MODEL 6
1 H1 SER 1 HT1 SER 1 3.891 -24.307 -0.715
2 H2 SER 1 HT2 SER 1 4.276 -22.743 -0.124
3 H3 SER 1 HT3 SER 1 5.473 -23.681 -0.920
4 HA SER 1 HA SER 1 4.770 -22.090 -2.429
5 HB2 SER 1 HB2 SER 1 4.878 -24.655 -3.003
6 HB3 SER 1 HB1 SER 1 3.138 -24.475 -3.234
7 HG SER 1 HG SER 1 3.708 -22.684 -4.671
8 H SER 2 HN SER 2 3.437 -20.516 -1.426
9 HA SER 2 HA SER 2 0.610 -20.792 -2.147
10 HB2 SER 2 HB2 SER 2 1.328 -21.109 0.439
11 HB3 SER 2 HB1 SER 2 1.139 -19.356 0.390
12 HG SER 2 HG SER 2 -0.794 -21.300 -0.347
13 H LEU 3 HN LEU 3 -0.515 -18.731 -2.312
14 HA LEU 3 HA LEU 3 0.979 -16.807 -3.720
15 HB2 LEU 3 HB2 LEU 3 -1.667 -17.387 -3.470
16 HB3 LEU 3 HB1 LEU 3 -1.563 -15.907 -2.536
17 HG LEU 3 HG LEU 3 -0.257 -15.082 -4.712
18 HD11 LEU 3 HD11 LEU 3 -1.743 -17.502 -5.532
19 HD12 LEU 3 HD12 LEU 3 -0.284 -16.778 -6.209
20 HD13 LEU 3 HD13 LEU 3 -1.865 -16.094 -6.587
21 HD21 LEU 3 HD21 LEU 3 -2.129 -13.905 -3.859
22 HD22 LEU 3 HD22 LEU 3 -3.230 -15.220 -4.269
23 HD23 LEU 3 HD23 LEU 3 -2.487 -14.261 -5.549
24 H LEU 4 HN LEU 4 -0.100 -16.982 -0.378
25 HA LEU 4 HA LEU 4 0.643 -14.316 0.303
26 HB2 LEU 4 HB2 LEU 4 -0.988 -15.895 1.513
27 HB3 LEU 4 HB1 LEU 4 0.441 -16.597 2.248
28 HG LEU 4 HG LEU 4 0.956 -14.106 2.914
29 HD11 LEU 4 HD11 LEU 4 -1.464 -13.201 3.541
30 HD12 LEU 4 HD12 LEU 4 -1.878 -14.060 2.057
31 HD13 LEU 4 HD13 LEU 4 -0.661 -12.785 2.027
32 HD21 LEU 4 HD21 LEU 4 -0.555 -14.493 4.964
33 HD22 LEU 4 HD22 LEU 4 0.723 -15.661 4.627
34 HD23 LEU 4 HD23 LEU 4 -0.946 -16.032 4.196
35 H GLU 5 HN GLU 5 2.392 -17.255 -0.071
36 HA GLU 5 HA GLU 5 4.584 -16.545 1.639
37 HB2 GLU 5 HB2 GLU 5 3.921 -18.771 -0.204
38 HB3 GLU 5 HB1 GLU 5 5.632 -18.441 0.030
39 HG2 GLU 5 HG2 GLU 5 5.374 -18.710 2.431
40 HG3 GLU 5 HG1 GLU 5 3.646 -18.996 2.223
41 H LYS 6 HN LYS 6 3.725 -16.158 -1.718
42 HA LYS 6 HA LYS 6 6.352 -15.049 -2.324
43 HB2 LYS 6 HB2 LYS 6 4.025 -15.862 -4.056
44 HB3 LYS 6 HB1 LYS 6 5.400 -14.967 -4.689
45 HG2 LYS 6 HG2 LYS 6 5.563 -17.653 -3.338
46 HG3 LYS 6 HG1 LYS 6 5.565 -17.388 -5.083
47 HD2 LYS 6 HD2 LYS 6 7.726 -16.802 -5.096
48 HD3 LYS 6 HD1 LYS 6 7.540 -15.768 -3.679
49 HE2 LYS 6 HE2 LYS 6 8.207 -17.382 -2.252
50 HE3 LYS 6 HE1 LYS 6 7.400 -18.661 -3.160
51 HZ1 LYS 6 HZ1 LYS 6 9.207 -18.584 -4.778
52 HZ2 LYS 6 HZ2 LYS 6 9.788 -18.934 -3.229
53 HZ3 LYS 6 HZ3 LYS 6 9.985 -17.383 -3.874
54 H GLY 7 HN GLY 7 3.016 -14.141 -1.902
55 HA2 GLY 7 HA2 GLY 7 3.225 -11.550 -3.080
56 HA3 GLY 7 HA1 GLY 7 1.941 -12.108 -2.018
57 H LEU 8 HN LEU 8 3.252 -12.669 0.302
58 HA LEU 8 HA LEU 8 3.737 -10.047 1.334
59 HB2 LEU 8 HB2 LEU 8 2.799 -12.357 2.411
60 HB3 LEU 8 HB1 LEU 8 4.453 -12.381 2.993
61 HG LEU 8 HG LEU 8 4.131 -10.191 4.043
62 HD11 LEU 8 HD11 LEU 8 1.516 -9.638 4.177
63 HD12 LEU 8 HD12 LEU 8 1.585 -10.322 2.552
64 HD13 LEU 8 HD13 LEU 8 2.591 -8.934 2.968
65 HD21 LEU 8 HD21 LEU 8 3.701 -11.710 5.663
66 HD22 LEU 8 HD22 LEU 8 2.476 -12.546 4.709
67 HD23 LEU 8 HD23 LEU 8 2.075 -11.040 5.534
68 H ASP 9 HN ASP 9 5.678 -12.823 0.459
69 HA ASP 9 HA ASP 9 8.089 -11.901 1.626
70 HB2 ASP 9 HB2 ASP 9 7.696 -14.273 1.073
71 HB3 ASP 9 HB1 ASP 9 7.702 -13.865 -0.640
72 H GLY 10 HN GLY 10 6.513 -11.366 -1.434
73 HA2 GLY 10 HA2 GLY 10 8.800 -10.277 -2.768
74 HA3 GLY 10 HA1 GLY 10 7.129 -10.173 -3.305
75 H ALA 11 HN ALA 11 6.207 -9.012 -0.803
76 HA ALA 11 HA ALA 11 6.663 -6.290 -1.462
77 HB1 ALA 11 HB1 ALA 11 5.355 -6.093 0.862
78 HB2 ALA 11 HB2 ALA 11 4.967 -7.762 0.446
79 HB3 ALA 11 HB3 ALA 11 4.556 -6.457 -0.667
80 H LYS 12 HN LYS 12 7.277 -8.106 1.520
81 HA LYS 12 HA LYS 12 8.663 -6.153 2.901
82 HB2 LYS 12 HB2 LYS 12 9.067 -9.142 3.030
83 HB3 LYS 12 HB1 LYS 12 9.607 -7.989 4.242
84 HG2 LYS 12 HG2 LYS 12 7.563 -7.780 5.144
85 HG3 LYS 12 HG1 LYS 12 6.751 -7.845 3.579
86 HD2 LYS 12 HD2 LYS 12 6.051 -9.827 4.505
87 HD3 LYS 12 HD1 LYS 12 7.500 -10.360 3.650
88 HE2 LYS 12 HE2 LYS 12 7.608 -11.328 5.806
89 HE3 LYS 12 HE1 LYS 12 8.760 -9.994 5.804
90 HZ1 LYS 12 HZ1 LYS 12 6.949 -10.366 7.710
91 HZ2 LYS 12 HZ2 LYS 12 6.070 -9.345 6.686
92 HZ3 LYS 12 HZ3 LYS 12 7.563 -8.843 7.302
93 H LYS 13 HN LYS 13 9.763 -7.978 0.185
94 HA LYS 13 HA LYS 13 12.559 -7.383 0.802
95 HB2 LYS 13 HB2 LYS 13 13.099 -8.858 -1.067
96 HB3 LYS 13 HB1 LYS 13 12.019 -9.658 0.068
97 HG2 LYS 13 HG2 LYS 13 10.853 -10.202 -1.762
98 HG3 LYS 13 HG1 LYS 13 10.243 -8.547 -1.651
99 HD2 LYS 13 HD2 LYS 13 11.151 -8.057 -3.615
100 HD3 LYS 13 HD1 LYS 13 12.748 -8.502 -3.012
101 HE2 LYS 13 HE2 LYS 13 12.678 -10.095 -4.589
102 HE3 LYS 13 HE1 LYS 13 11.627 -10.946 -3.459
103 HZ1 LYS 13 HZ1 LYS 13 10.610 -10.888 -5.615
104 HZ2 LYS 13 HZ2 LYS 13 10.763 -9.206 -5.704
105 HZ3 LYS 13 HZ3 LYS 13 9.716 -9.900 -4.572
106 H ALA 14 HN ALA 14 10.408 -7.087 -2.045
107 HA ALA 14 HA ALA 14 12.139 -5.230 -3.335
108 HB1 ALA 14 HB1 ALA 14 10.888 -6.504 -4.828
109 HB2 ALA 14 HB2 ALA 14 10.059 -4.948 -4.838
110 HB3 ALA 14 HB3 ALA 14 9.397 -6.294 -3.910
111 H VAL 15 HN VAL 15 9.123 -5.071 -1.537
112 HA VAL 15 HA VAL 15 9.010 -2.232 -1.831
113 HB VAL 15 HB VAL 15 7.262 -3.845 -0.001
114 HG11 VAL 15 HG11 VAL 15 5.961 -2.013 0.185
115 HG12 VAL 15 HG12 VAL 15 6.251 -1.505 -1.478
116 HG13 VAL 15 HG13 VAL 15 7.455 -1.174 -0.232
117 HG21 VAL 15 HG21 VAL 15 7.359 -4.689 -2.420
118 HG22 VAL 15 HG22 VAL 15 6.553 -3.178 -2.841
119 HG23 VAL 15 HG23 VAL 15 5.773 -4.319 -1.745
120 H GLY 16 HN GLY 16 9.699 -4.536 0.735
121 HA2 GLY 16 HA2 GLY 16 9.903 -2.735 2.870
122 HA3 GLY 16 HA1 GLY 16 10.727 -4.284 2.773
123 H GLY 17 HN GLY 17 12.246 -3.642 0.405
124 HA2 GLY 17 HA2 GLY 17 14.414 -2.246 1.696
125 HA3 GLY 17 HA1 GLY 17 14.445 -2.974 0.097
126 H LEU 18 HN LEU 18 12.176 -1.575 -0.948
127 HA LEU 18 HA LEU 18 13.490 0.882 -1.658
128 HB2 LEU 18 HB2 LEU 18 11.496 -0.811 -2.787
129 HB3 LEU 18 HB1 LEU 18 10.833 0.808 -2.669
130 HG LEU 18 HG LEU 18 13.554 0.598 -3.814
131 HD11 LEU 18 HD11 LEU 18 13.048 -0.463 -5.744
132 HD12 LEU 18 HD12 LEU 18 11.365 0.065 -5.723
133 HD13 LEU 18 HD13 LEU 18 11.879 -1.284 -4.710
134 HD21 LEU 18 HD21 LEU 18 12.985 2.529 -4.863
135 HD22 LEU 18 HD22 LEU 18 11.848 2.621 -3.518
136 HD23 LEU 18 HD23 LEU 18 11.306 2.041 -5.093
137 H GLY 19 HN GLY 19 10.474 0.006 -0.031
138 HA2 GLY 19 HA2 GLY 19 9.600 2.649 0.455
139 HA3 GLY 19 HA1 GLY 19 9.050 1.214 1.303
140 H LYS 20 HN LYS 20 12.104 0.881 1.916
141 HA LYS 20 HA LYS 20 11.941 2.231 4.469
142 HB2 LYS 20 HB2 LYS 20 13.628 0.069 3.326
143 HB3 LYS 20 HB1 LYS 20 14.282 1.000 4.667
144 HG2 LYS 20 HG2 LYS 20 11.550 -0.197 4.844
145 HG3 LYS 20 HG1 LYS 20 12.987 -1.175 5.156
146 HD2 LYS 20 HD2 LYS 20 13.683 0.626 6.799
147 HD3 LYS 20 HD1 LYS 20 12.056 1.285 6.620
148 HE2 LYS 20 HE2 LYS 20 11.527 -0.087 8.311
149 HE3 LYS 20 HE1 LYS 20 11.544 -1.354 7.086
150 HZ1 LYS 20 HZ1 LYS 20 14.113 -1.286 7.731
151 HZ2 LYS 20 HZ2 LYS 20 12.993 -2.276 8.522
152 HZ3 LYS 20 HZ3 LYS 20 13.450 -0.800 9.210
153 H LEU 21 HN LEU 21 14.400 1.959 1.957
154 HA LEU 21 HA LEU 21 15.720 4.361 2.876
155 HB2 LEU 21 HB2 LEU 21 16.233 2.729 0.383
156 HB3 LEU 21 HB1 LEU 21 17.276 3.985 1.021
157 HG LEU 21 HG LEU 21 16.928 2.110 3.105
158 HD11 LEU 21 HD11 LEU 21 18.102 0.196 1.683
159 HD12 LEU 21 HD12 LEU 21 17.077 0.873 0.418
160 HD13 LEU 21 HD13 LEU 21 16.355 0.269 1.909
161 HD21 LEU 21 HD21 LEU 21 19.173 2.275 3.222
162 HD22 LEU 21 HD22 LEU 21 18.925 3.600 2.085
163 HD23 LEU 21 HD23 LEU 21 19.392 2.006 1.493
164 H GLY 22 HN GLY 22 13.154 3.544 1.000
165 HA2 GLY 22 HA2 GLY 22 13.196 6.081 -0.488
166 HA3 GLY 22 HA1 GLY 22 12.346 4.627 -1.007
167 H LYS 23 HN LYS 23 12.181 4.989 2.314
168 HA LYS 23 HA LYS 23 9.436 5.193 2.448
169 HB2 LYS 23 HB2 LYS 23 11.269 4.626 4.259
170 HB3 LYS 23 HB1 LYS 23 11.107 6.332 4.651
171 HG2 LYS 23 HG2 LYS 23 8.494 5.321 4.458
172 HG3 LYS 23 HG1 LYS 23 9.424 4.135 5.376
173 HD2 LYS 23 HD2 LYS 23 9.687 7.034 6.039
174 HD3 LYS 23 HD1 LYS 23 8.265 6.147 6.590
175 HE2 LYS 23 HE2 LYS 23 9.558 5.649 8.361
176 HE3 LYS 23 HE1 LYS 23 10.235 4.427 7.285
177 HZ1 LYS 23 HZ1 LYS 23 11.386 6.966 8.173
178 HZ2 LYS 23 HZ2 LYS 23 11.779 6.425 6.619
179 HZ3 LYS 23 HZ3 LYS 23 12.127 5.459 7.963
180 H ASP 24 HN ASP 24 11.916 7.649 2.333
181 HA ASP 24 HA ASP 24 10.417 9.874 3.099
182 HB2 ASP 24 HB2 ASP 24 13.005 9.483 2.396
183 HB3 ASP 24 HB1 ASP 24 12.409 10.311 0.961
184 H ALA 25 HN ALA 25 10.841 8.359 -0.055
185 HA ALA 25 HA ALA 25 9.216 10.305 -1.425
186 HB1 ALA 25 HB1 ALA 25 10.619 9.453 -2.983
187 HB2 ALA 25 HB2 ALA 25 9.341 8.251 -3.165
188 HB3 ALA 25 HB3 ALA 25 10.751 7.895 -2.167
189 H VAL 26 HN VAL 26 8.903 7.003 -0.294
190 HA VAL 26 HA VAL 26 6.389 6.322 -1.208
191 HB VAL 26 HB VAL 26 7.827 5.636 1.330
192 HG11 VAL 26 HG11 VAL 26 5.108 4.900 0.460
193 HG12 VAL 26 HG12 VAL 26 5.807 4.945 2.078
194 HG13 VAL 26 HG13 VAL 26 6.114 3.566 1.023
195 HG21 VAL 26 HG21 VAL 26 7.689 3.374 -0.207
196 HG22 VAL 26 HG22 VAL 26 9.060 4.480 -0.135
197 HG23 VAL 26 HG23 VAL 26 7.858 4.647 -1.415
198 H GLU 27 HN GLU 27 7.295 8.537 1.305
199 HA GLU 27 HA GLU 27 4.817 8.601 2.694
200 HB2 GLU 27 HB2 GLU 27 7.349 9.651 3.073
201 HB3 GLU 27 HB1 GLU 27 6.377 11.068 2.714
202 HG2 GLU 27 HG2 GLU 27 5.113 9.280 4.629
203 HG3 GLU 27 HG1 GLU 27 6.675 9.889 5.174
204 H ASP 28 HN ASP 28 6.404 10.717 0.369
205 HA ASP 28 HA ASP 28 4.046 12.260 -0.067
206 HB2 ASP 28 HB2 ASP 28 6.842 12.382 -0.865
207 HB3 ASP 28 HB1 ASP 28 5.764 12.763 -2.204
208 H LEU 29 HN LEU 29 5.040 9.225 -1.026
209 HA LEU 29 HA LEU 29 3.529 9.361 -3.542
210 HB2 LEU 29 HB2 LEU 29 5.447 7.295 -2.480
211 HB3 LEU 29 HB1 LEU 29 4.502 7.079 -3.939
212 HG LEU 29 HG LEU 29 6.436 9.359 -3.573
213 HD11 LEU 29 HD11 LEU 29 6.954 6.759 -5.001
214 HD12 LEU 29 HD12 LEU 29 7.565 7.147 -3.393
215 HD13 LEU 29 HD13 LEU 29 8.072 8.106 -4.784
216 HD21 LEU 29 HD21 LEU 29 6.302 8.951 -6.199
217 HD22 LEU 29 HD22 LEU 29 5.171 10.001 -5.346
218 HD23 LEU 29 HD23 LEU 29 4.705 8.350 -5.754
219 H GLU 30 HN GLU 30 3.199 8.596 -0.321
220 HA GLU 30 HA GLU 30 1.446 6.352 -0.638
221 HB2 GLU 30 HB2 GLU 30 2.752 7.731 1.564
222 HB3 GLU 30 HB1 GLU 30 1.083 7.325 1.938
223 HG2 GLU 30 HG2 GLU 30 1.758 4.978 1.009
224 HG3 GLU 30 HG1 GLU 30 3.390 5.531 1.379
225 H SER 31 HN SER 31 1.171 9.813 -0.181
226 HA SER 31 HA SER 31 -1.694 9.654 0.172
227 HB2 SER 31 HB2 SER 31 0.350 11.780 0.422
228 HB3 SER 31 HB1 SER 31 -1.261 12.305 -0.067
229 HG SER 31 HG SER 31 -0.827 10.614 2.159
230 H VAL 32 HN VAL 32 0.382 9.704 -2.429
231 HA VAL 32 HA VAL 32 -1.114 11.275 -4.229
232 HB VAL 32 HB VAL 32 0.661 8.950 -4.981
233 HG11 VAL 32 HG11 VAL 32 0.649 9.775 -7.089
234 HG12 VAL 32 HG12 VAL 32 0.586 11.452 -6.546
235 HG13 VAL 32 HG13 VAL 32 -0.884 10.479 -6.575
236 HG21 VAL 32 HG21 VAL 32 2.524 10.529 -5.037
237 HG22 VAL 32 HG22 VAL 32 1.863 10.371 -3.411
238 HG23 VAL 32 HG23 VAL 32 1.478 11.790 -4.384
239 H GLY 33 HN GLY 33 -0.848 8.468 -5.830
240 HA2 GLY 33 HA2 GLY 33 -3.619 8.079 -6.119
241 HA3 GLY 33 HA1 GLY 33 -2.372 6.977 -6.682
242 H LYS 34 HN LYS 34 -1.330 6.784 -3.857
243 HA LYS 34 HA LYS 34 -2.735 4.450 -3.121
244 HB2 LYS 34 HB2 LYS 34 -0.515 6.057 -2.020
245 HB3 LYS 34 HB1 LYS 34 -1.410 5.104 -0.843
246 HG2 LYS 34 HG2 LYS 34 -1.052 3.211 -2.661
247 HG3 LYS 34 HG1 LYS 34 0.332 4.225 -3.072
248 HD2 LYS 34 HD2 LYS 34 1.412 3.770 -1.130
249 HD3 LYS 34 HD1 LYS 34 -0.084 3.670 -0.199
250 HE2 LYS 34 HE2 LYS 34 0.577 1.473 -0.183
251 HE3 LYS 34 HE1 LYS 34 -0.454 1.495 -1.612
252 HZ1 LYS 34 HZ1 LYS 34 1.537 0.363 -2.172
253 HZ2 LYS 34 HZ2 LYS 34 2.509 1.591 -1.534
254 HZ3 LYS 34 HZ3 LYS 34 1.606 1.871 -2.936
255 H GLY 35 HN GLY 35 -3.071 7.806 -2.230
256 HA2 GLY 35 HA2 GLY 35 -4.957 7.141 -0.093
257 HA3 GLY 35 HA1 GLY 35 -4.319 8.738 -0.452
258 H ALA 36 HN ALA 36 -5.005 7.968 -3.405
259 HA ALA 36 HA ALA 36 -7.514 9.330 -3.437
260 HB1 ALA 36 HB1 ALA 36 -6.321 7.899 -5.789
261 HB2 ALA 36 HB2 ALA 36 -5.650 9.419 -5.197
262 HB3 ALA 36 HB3 ALA 36 -7.318 9.353 -5.766
263 H VAL 37 HN VAL 37 -6.486 6.022 -3.484
264 HA VAL 37 HA VAL 37 -8.880 4.917 -4.535
265 HB VAL 37 HB VAL 37 -6.849 3.538 -2.781
266 HG11 VAL 37 HG11 VAL 37 -7.849 1.578 -3.276
267 HG12 VAL 37 HG12 VAL 37 -8.284 2.088 -4.907
268 HG13 VAL 37 HG13 VAL 37 -9.261 2.603 -3.532
269 HG21 VAL 37 HG21 VAL 37 -5.524 3.090 -4.616
270 HG22 VAL 37 HG22 VAL 37 -6.053 4.738 -4.955
271 HG23 VAL 37 HG23 VAL 37 -6.832 3.379 -5.764
272 H HIS 38 HN HIS 38 -7.529 4.889 -1.257
273 HA HIS 38 HA HIS 38 -9.853 3.941 0.008
274 HB2 HIS 38 HB2 HIS 38 -7.430 5.427 0.999
275 HB3 HIS 38 HB1 HIS 38 -8.754 5.013 2.083
276 HD1 HIS 38 HD1 HIS 38 -8.371 2.902 3.292
277 HD2 HIS 38 HD2 HIS 38 -6.525 2.893 -0.431
278 HE1 HIS 38 HE1 HIS 38 -7.183 0.691 3.136
279 HE2 HIS 38 HE2 HIS 38 -6.134 0.677 0.845
280 H ASP 39 HN ASP 39 -8.984 7.056 -1.180
281 HA ASP 39 HA ASP 39 -10.537 8.697 0.484
282 HB2 ASP 39 HB2 ASP 39 -8.865 9.589 -1.075
283 HB3 ASP 39 HB1 ASP 39 -9.851 9.074 -2.439
284 H VAL 40 HN VAL 40 -11.344 6.954 -2.475
285 HA VAL 40 HA VAL 40 -14.009 7.964 -2.641
286 HB VAL 40 HB VAL 40 -12.950 5.432 -3.897
287 HG11 VAL 40 HG11 VAL 40 -15.279 7.239 -4.499
288 HG12 VAL 40 HG12 VAL 40 -15.308 5.524 -4.090
289 HG13 VAL 40 HG13 VAL 40 -14.663 6.049 -5.645
290 HG21 VAL 40 HG21 VAL 40 -11.458 7.254 -4.460
291 HG22 VAL 40 HG22 VAL 40 -12.826 8.266 -4.923
292 HG23 VAL 40 HG23 VAL 40 -12.435 6.827 -5.865
293 H LYS 41 HN LYS 41 -12.496 5.204 -1.117
294 HA LYS 41 HA LYS 41 -14.804 3.667 -0.641
295 HB2 LYS 41 HB2 LYS 41 -12.201 3.200 -0.292
296 HB3 LYS 41 HB1 LYS 41 -12.600 3.651 1.360
297 HG2 LYS 41 HG2 LYS 41 -14.185 1.579 -0.112
298 HG3 LYS 41 HG1 LYS 41 -12.684 1.175 0.722
299 HD2 LYS 41 HD2 LYS 41 -14.012 2.628 2.618
300 HD3 LYS 41 HD1 LYS 41 -15.336 1.792 1.804
301 HE2 LYS 41 HE2 LYS 41 -14.841 0.111 3.209
302 HE3 LYS 41 HE1 LYS 41 -13.533 -0.218 2.073
303 HZ1 LYS 41 HZ1 LYS 41 -12.999 1.736 4.169
304 HZ2 LYS 41 HZ2 LYS 41 -11.979 0.569 3.493
305 HZ3 LYS 41 HZ3 LYS 41 -13.125 0.120 4.654
306 H ASP 42 HN ASP 42 -13.467 6.451 0.971
307 HA ASP 42 HA ASP 42 -15.105 6.160 3.325
308 HB2 ASP 42 HB2 ASP 42 -12.791 7.573 2.710
309 HB3 ASP 42 HB1 ASP 42 -14.016 8.826 2.882
310 H VAL 43 HN VAL 43 -15.204 7.980 0.323
311 HA VAL 43 HA VAL 43 -17.484 9.551 1.107
312 HB VAL 43 HB VAL 43 -16.398 9.147 -1.681
313 HG11 VAL 43 HG11 VAL 43 -17.514 11.174 -2.234
314 HG12 VAL 43 HG12 VAL 43 -17.919 11.485 -0.546
315 HG13 VAL 43 HG13 VAL 43 -18.684 10.148 -1.404
316 HG21 VAL 43 HG21 VAL 43 -14.533 10.104 -0.883
317 HG22 VAL 43 HG22 VAL 43 -15.323 10.634 0.602
318 HG23 VAL 43 HG23 VAL 43 -15.486 11.588 -0.872
319 H LEU 44 HN LEU 44 -16.885 6.580 -0.632
320 HA LEU 44 HA LEU 44 -19.474 6.336 -1.772
321 HB2 LEU 44 HB2 LEU 44 -17.262 5.130 -2.388
322 HB3 LEU 44 HB1 LEU 44 -17.713 3.997 -1.128
323 HG LEU 44 HG LEU 44 -19.819 4.552 -3.115
324 HD11 LEU 44 HD11 LEU 44 -18.374 4.409 -4.846
325 HD12 LEU 44 HD12 LEU 44 -18.518 2.682 -4.518
326 HD13 LEU 44 HD13 LEU 44 -17.139 3.587 -3.893
327 HD21 LEU 44 HD21 LEU 44 -19.625 1.906 -2.987
328 HD22 LEU 44 HD22 LEU 44 -20.448 2.851 -1.745
329 HD23 LEU 44 HD23 LEU 44 -18.793 2.300 -1.483
330 H ASP 45 HN ASP 45 -18.089 5.518 1.315
331 HA ASP 45 HA ASP 45 -20.073 3.689 2.168
332 HB2 ASP 45 HB2 ASP 45 -17.739 4.154 3.176
333 HB3 ASP 45 HB1 ASP 45 -18.529 5.473 4.036
334 H SER 46 HN SER 46 -19.964 7.149 1.992
335 HA SER 46 HA SER 46 -22.192 7.514 3.809
336 HB2 SER 46 HB2 SER 46 -21.033 9.617 1.984
337 HB3 SER 46 HB1 SER 46 -21.871 9.841 3.519
338 HG SER 46 HG SER 46 -20.082 9.408 4.576
339 H VAL 47 HN VAL 47 -21.588 7.454 0.351
340 HA VAL 47 HA VAL 47 -24.216 8.364 -0.359
341 HB VAL 47 HB VAL 47 -22.239 6.920 -2.124
342 HG11 VAL 47 HG11 VAL 47 -24.060 6.987 -3.457
343 HG12 VAL 47 HG12 VAL 47 -23.538 8.651 -3.722
344 HG13 VAL 47 HG13 VAL 47 -24.809 8.301 -2.551
345 HG21 VAL 47 HG21 VAL 47 -22.214 9.641 -1.025
346 HG22 VAL 47 HG22 VAL 47 -22.004 9.551 -2.774
347 HG23 VAL 47 HG23 VAL 47 -20.903 8.679 -1.707
348 H LEU 48 HN LEU 48 -22.664 5.280 0.168
349 HA LEU 48 HA LEU 48 -25.155 3.910 -0.601
350 HB2 LEU 48 HB2 LEU 48 -22.774 3.383 -1.629
351 HB3 LEU 48 HB1 LEU 48 -22.605 2.429 -0.168
352 HG LEU 48 HG LEU 48 -24.745 1.252 -0.809
353 HD11 LEU 48 HD11 LEU 48 -25.415 3.101 -2.411
354 HD12 LEU 48 HD12 LEU 48 -25.615 1.445 -2.985
355 HD13 LEU 48 HD13 LEU 48 -24.244 2.410 -3.535
356 HD21 LEU 48 HD21 LEU 48 -22.188 0.683 -1.405
357 HD22 LEU 48 HD22 LEU 48 -22.869 0.756 -3.030
358 HD23 LEU 48 HD23 LEU 48 -23.544 -0.357 -1.840
Start of MODEL 7
1 H1 SER 1 HT1 SER 1 -0.993 -23.993 -4.697
2 H2 SER 1 HT2 SER 1 -2.020 -22.737 -4.137
3 H3 SER 1 HT3 SER 1 -0.944 -23.517 -3.051
4 HA SER 1 HA SER 1 0.883 -22.720 -4.530
5 HB2 SER 1 HB2 SER 1 -1.535 -21.386 -5.663
6 HB3 SER 1 HB1 SER 1 -0.036 -20.458 -5.603
7 HG SER 1 HG SER 1 -0.536 -22.903 -6.935
8 H SER 2 HN SER 2 2.078 -21.719 -3.058
9 HA SER 2 HA SER 2 0.881 -20.308 -0.867
10 HB2 SER 2 HB2 SER 2 3.368 -19.874 -0.302
11 HB3 SER 2 HB1 SER 2 2.787 -21.539 -0.263
12 HG SER 2 HG SER 2 4.209 -20.283 -2.375
13 H LEU 3 HN LEU 3 -0.141 -18.514 -1.795
14 HA LEU 3 HA LEU 3 1.327 -16.629 -3.392
15 HB2 LEU 3 HB2 LEU 3 -1.333 -17.182 -3.029
16 HB3 LEU 3 HB1 LEU 3 -1.147 -15.691 -2.124
17 HG LEU 3 HG LEU 3 0.114 -15.007 -4.416
18 HD11 LEU 3 HD11 LEU 3 -0.796 -15.950 -6.310
19 HD12 LEU 3 HD12 LEU 3 -2.209 -16.566 -5.455
20 HD13 LEU 3 HD13 LEU 3 -0.644 -17.352 -5.251
21 HD21 LEU 3 HD21 LEU 3 -2.380 -14.263 -5.054
22 HD22 LEU 3 HD22 LEU 3 -1.430 -13.476 -3.794
23 HD23 LEU 3 HD23 LEU 3 -2.627 -14.697 -3.363
24 H LEU 4 HN LEU 4 0.365 -16.917 -0.025
25 HA LEU 4 HA LEU 4 1.162 -14.282 0.722
26 HB2 LEU 4 HB2 LEU 4 0.416 -16.773 2.199
27 HB3 LEU 4 HB1 LEU 4 1.156 -15.444 3.071
28 HG LEU 4 HG LEU 4 -1.299 -15.038 1.384
29 HD11 LEU 4 HD11 LEU 4 -2.699 -15.781 2.987
30 HD12 LEU 4 HD12 LEU 4 -1.616 -15.319 4.300
31 HD13 LEU 4 HD13 LEU 4 -1.329 -16.811 3.404
32 HD21 LEU 4 HD21 LEU 4 -1.493 -13.286 3.372
33 HD22 LEU 4 HD22 LEU 4 -0.571 -12.949 1.906
34 HD23 LEU 4 HD23 LEU 4 0.260 -13.481 3.368
35 H GLU 5 HN GLU 5 2.779 -17.354 0.447
36 HA GLU 5 HA GLU 5 5.075 -16.592 1.991
37 HB2 GLU 5 HB2 GLU 5 4.096 -18.985 1.323
38 HB3 GLU 5 HB1 GLU 5 5.228 -18.792 -0.009
39 HG2 GLU 5 HG2 GLU 5 7.020 -18.373 1.669
40 HG3 GLU 5 HG1 GLU 5 5.857 -18.776 2.931
41 H LYS 6 HN LYS 6 4.079 -16.429 -1.339
42 HA LYS 6 HA LYS 6 6.749 -15.616 -2.177
43 HB2 LYS 6 HB2 LYS 6 4.589 -16.972 -3.443
44 HB3 LYS 6 HB1 LYS 6 4.879 -15.479 -4.325
45 HG2 LYS 6 HG2 LYS 6 6.151 -17.337 -5.254
46 HG3 LYS 6 HG1 LYS 6 7.214 -16.080 -4.618
47 HD2 LYS 6 HD2 LYS 6 6.921 -17.682 -2.440
48 HD3 LYS 6 HD1 LYS 6 6.842 -18.863 -3.749
49 HE2 LYS 6 HE2 LYS 6 9.053 -16.909 -3.151
50 HE3 LYS 6 HE1 LYS 6 9.125 -18.670 -3.103
51 HZ1 LYS 6 HZ1 LYS 6 10.157 -17.782 -5.102
52 HZ2 LYS 6 HZ2 LYS 6 8.708 -17.031 -5.545
53 HZ3 LYS 6 HZ3 LYS 6 8.804 -18.719 -5.492
54 H GLY 7 HN GLY 7 3.559 -14.340 -1.616
55 HA2 GLY 7 HA2 GLY 7 4.014 -11.845 -2.965
56 HA3 GLY 7 HA1 GLY 7 2.670 -12.226 -1.899
57 H LEU 8 HN LEU 8 4.127 -12.921 0.409
58 HA LEU 8 HA LEU 8 4.680 -10.310 1.433
59 HB2 LEU 8 HB2 LEU 8 3.765 -12.563 2.570
60 HB3 LEU 8 HB1 LEU 8 5.462 -12.715 2.984
61 HG LEU 8 HG LEU 8 3.847 -10.253 3.621
62 HD11 LEU 8 HD11 LEU 8 4.515 -12.139 5.780
63 HD12 LEU 8 HD12 LEU 8 3.248 -12.661 4.670
64 HD13 LEU 8 HD13 LEU 8 3.083 -11.138 5.545
65 HD21 LEU 8 HD21 LEU 8 6.592 -11.229 4.204
66 HD22 LEU 8 HD22 LEU 8 5.759 -10.293 5.445
67 HD23 LEU 8 HD23 LEU 8 6.021 -9.600 3.845
68 H ASP 9 HN ASP 9 6.556 -13.021 0.306
69 HA ASP 9 HA ASP 9 9.040 -12.212 1.386
70 HB2 ASP 9 HB2 ASP 9 8.080 -14.254 -0.489
71 HB3 ASP 9 HB1 ASP 9 9.706 -13.675 -0.841
72 H GLY 10 HN GLY 10 7.348 -11.507 -1.604
73 HA2 GLY 10 HA2 GLY 10 9.558 -10.180 -2.854
74 HA3 GLY 10 HA1 GLY 10 7.882 -10.149 -3.388
75 H ALA 11 HN ALA 11 6.883 -9.237 -0.818
76 HA ALA 11 HA ALA 11 7.156 -6.447 -1.269
77 HB1 ALA 11 HB1 ALA 11 5.083 -7.623 -0.452
78 HB2 ALA 11 HB2 ALA 11 5.521 -6.151 0.415
79 HB3 ALA 11 HB3 ALA 11 5.869 -7.729 1.123
80 H LYS 12 HN LYS 12 8.337 -8.673 1.189
81 HA LYS 12 HA LYS 12 9.493 -6.649 2.830
82 HB2 LYS 12 HB2 LYS 12 9.924 -9.634 2.720
83 HB3 LYS 12 HB1 LYS 12 10.649 -8.584 3.930
84 HG2 LYS 12 HG2 LYS 12 7.693 -8.557 3.542
85 HG3 LYS 12 HG1 LYS 12 8.447 -9.867 4.451
86 HD2 LYS 12 HD2 LYS 12 9.646 -7.626 5.500
87 HD3 LYS 12 HD1 LYS 12 7.994 -7.082 5.200
88 HE2 LYS 12 HE2 LYS 12 7.526 -9.498 6.316
89 HE3 LYS 12 HE1 LYS 12 9.024 -9.054 7.132
90 HZ1 LYS 12 HZ1 LYS 12 8.049 -7.236 8.120
91 HZ2 LYS 12 HZ2 LYS 12 6.769 -8.342 8.133
92 HZ3 LYS 12 HZ3 LYS 12 6.815 -7.116 6.969
93 H LYS 13 HN LYS 13 10.524 -8.187 -0.062
94 HA LYS 13 HA LYS 13 13.323 -7.493 0.458
95 HB2 LYS 13 HB2 LYS 13 13.838 -8.896 -1.480
96 HB3 LYS 13 HB1 LYS 13 12.886 -9.775 -0.289
97 HG2 LYS 13 HG2 LYS 13 11.602 -10.359 -2.021
98 HG3 LYS 13 HG1 LYS 13 10.946 -8.722 -1.891
99 HD2 LYS 13 HD2 LYS 13 11.732 -8.210 -3.901
100 HD3 LYS 13 HD1 LYS 13 13.371 -8.633 -3.400
101 HE2 LYS 13 HE2 LYS 13 11.307 -10.597 -4.393
102 HE3 LYS 13 HE1 LYS 13 12.593 -9.903 -5.380
103 HZ1 LYS 13 HZ1 LYS 13 14.186 -11.128 -4.331
104 HZ2 LYS 13 HZ2 LYS 13 12.888 -12.206 -4.210
105 HZ3 LYS 13 HZ3 LYS 13 13.322 -11.253 -2.882
106 H ALA 14 HN ALA 14 11.043 -7.280 -2.295
107 HA ALA 14 HA ALA 14 12.623 -5.335 -3.638
108 HB1 ALA 14 HB1 ALA 14 10.067 -6.732 -4.136
109 HB2 ALA 14 HB2 ALA 14 11.444 -6.467 -5.206
110 HB3 ALA 14 HB3 ALA 14 10.283 -5.169 -4.925
111 H VAL 15 HN VAL 15 9.617 -5.289 -1.798
112 HA VAL 15 HA VAL 15 9.430 -2.458 -2.105
113 HB VAL 15 HB VAL 15 7.710 -4.073 -0.257
114 HG11 VAL 15 HG11 VAL 15 6.118 -2.336 -0.530
115 HG12 VAL 15 HG12 VAL 15 7.042 -1.609 -1.845
116 HG13 VAL 15 HG13 VAL 15 7.668 -1.563 -0.196
117 HG21 VAL 15 HG21 VAL 15 7.810 -5.071 -2.568
118 HG22 VAL 15 HG22 VAL 15 7.121 -3.562 -3.164
119 HG23 VAL 15 HG23 VAL 15 6.209 -4.562 -2.034
120 H GLY 16 HN GLY 16 10.263 -4.719 0.447
121 HA2 GLY 16 HA2 GLY 16 10.381 -2.889 2.579
122 HA3 GLY 16 HA1 GLY 16 11.258 -4.409 2.493
123 H GLY 17 HN GLY 17 12.704 -3.711 0.081
124 HA2 GLY 17 HA2 GLY 17 14.857 -2.253 1.333
125 HA3 GLY 17 HA1 GLY 17 14.875 -2.972 -0.270
126 H LEU 18 HN LEU 18 12.409 -1.595 -1.077
127 HA LEU 18 HA LEU 18 13.647 0.887 -1.896
128 HB2 LEU 18 HB2 LEU 18 12.078 -0.806 -3.227
129 HB3 LEU 18 HB1 LEU 18 10.829 0.248 -2.590
130 HG LEU 18 HG LEU 18 13.183 1.323 -4.125
131 HD11 LEU 18 HD11 LEU 18 12.328 0.023 -5.796
132 HD12 LEU 18 HD12 LEU 18 11.301 1.447 -5.966
133 HD13 LEU 18 HD13 LEU 18 10.701 0.022 -5.116
134 HD21 LEU 18 HD21 LEU 18 11.127 2.978 -4.601
135 HD22 LEU 18 HD22 LEU 18 12.230 3.171 -3.239
136 HD23 LEU 18 HD23 LEU 18 10.668 2.387 -3.004
137 H GLY 19 HN GLY 19 10.757 -0.104 -0.116
138 HA2 GLY 19 HA2 GLY 19 9.825 2.512 0.436
139 HA3 GLY 19 HA1 GLY 19 9.350 1.051 1.284
140 H LYS 20 HN LYS 20 12.432 0.787 1.758
141 HA LYS 20 HA LYS 20 12.355 2.104 4.333
142 HB2 LYS 20 HB2 LYS 20 13.930 -0.074 3.117
143 HB3 LYS 20 HB1 LYS 20 14.773 0.908 4.308
144 HG2 LYS 20 HG2 LYS 20 12.077 -0.242 4.904
145 HG3 LYS 20 HG1 LYS 20 13.542 -1.209 5.090
146 HD2 LYS 20 HD2 LYS 20 14.455 0.550 6.581
147 HD3 LYS 20 HD1 LYS 20 12.916 1.407 6.457
148 HE2 LYS 20 HE2 LYS 20 11.769 -0.543 7.411
149 HE3 LYS 20 HE1 LYS 20 13.317 -1.375 7.554
150 HZ1 LYS 20 HZ1 LYS 20 13.901 -0.168 9.345
151 HZ2 LYS 20 HZ2 LYS 20 12.231 0.042 9.518
152 HZ3 LYS 20 HZ3 LYS 20 13.164 1.251 8.789
153 H LEU 21 HN LEU 21 14.698 1.901 1.708
154 HA LEU 21 HA LEU 21 16.033 4.305 2.584
155 HB2 LEU 21 HB2 LEU 21 16.403 2.580 0.131
156 HB3 LEU 21 HB1 LEU 21 17.386 3.987 0.490
157 HG LEU 21 HG LEU 21 17.216 1.822 2.534
158 HD11 LEU 21 HD11 LEU 21 18.408 1.568 -0.156
159 HD12 LEU 21 HD12 LEU 21 17.800 0.328 0.941
160 HD13 LEU 21 HD13 LEU 21 19.396 1.031 1.202
161 HD21 LEU 21 HD21 LEU 21 19.208 3.891 1.673
162 HD22 LEU 21 HD22 LEU 21 19.673 2.532 2.696
163 HD23 LEU 21 HD23 LEU 21 18.446 3.673 3.248
164 H GLY 22 HN GLY 22 13.359 3.505 0.863
165 HA2 GLY 22 HA2 GLY 22 13.290 6.059 -0.588
166 HA3 GLY 22 HA1 GLY 22 12.427 4.604 -1.081
167 H LYS 23 HN LYS 23 12.391 4.799 2.229
168 HA LYS 23 HA LYS 23 9.671 5.024 2.511
169 HB2 LYS 23 HB2 LYS 23 11.658 4.468 4.211
170 HB3 LYS 23 HB1 LYS 23 11.368 6.134 4.691
171 HG2 LYS 23 HG2 LYS 23 8.987 5.568 5.060
172 HG3 LYS 23 HG1 LYS 23 9.368 3.884 4.695
173 HD2 LYS 23 HD2 LYS 23 11.056 3.967 6.554
174 HD3 LYS 23 HD1 LYS 23 10.408 5.553 6.980
175 HE2 LYS 23 HE2 LYS 23 9.299 4.041 8.393
176 HE3 LYS 23 HE1 LYS 23 8.138 4.413 7.119
177 HZ1 LYS 23 HZ1 LYS 23 9.746 1.952 7.461
178 HZ2 LYS 23 HZ2 LYS 23 8.983 2.330 5.999
179 HZ3 LYS 23 HZ3 LYS 23 8.062 2.102 7.399
180 H ASP 24 HN ASP 24 12.123 7.472 2.252
181 HA ASP 24 HA ASP 24 10.746 9.690 3.211
182 HB2 ASP 24 HB2 ASP 24 12.379 11.022 2.082
183 HB3 ASP 24 HB1 ASP 24 13.191 9.557 2.623
184 H ALA 25 HN ALA 25 10.887 8.348 -0.056
185 HA ALA 25 HA ALA 25 9.078 10.316 -1.130
186 HB1 ALA 25 HB1 ALA 25 9.331 9.214 -3.204
187 HB2 ALA 25 HB2 ALA 25 9.852 7.716 -2.433
188 HB3 ALA 25 HB3 ALA 25 10.911 9.126 -2.425
189 H VAL 26 HN VAL 26 8.976 6.906 -0.306
190 HA VAL 26 HA VAL 26 6.443 6.172 -1.038
191 HB VAL 26 HB VAL 26 8.074 5.425 1.365
192 HG11 VAL 26 HG11 VAL 26 6.140 4.584 2.188
193 HG12 VAL 26 HG12 VAL 26 6.451 3.286 1.036
194 HG13 VAL 26 HG13 VAL 26 5.345 4.594 0.614
195 HG21 VAL 26 HG21 VAL 26 9.268 4.454 -0.264
196 HG22 VAL 26 HG22 VAL 26 7.953 4.572 -1.433
197 HG23 VAL 26 HG23 VAL 26 7.982 3.247 -0.269
198 H GLU 27 HN GLU 27 7.419 8.179 1.655
199 HA GLU 27 HA GLU 27 4.965 8.074 3.091
200 HB2 GLU 27 HB2 GLU 27 7.352 9.888 3.088
201 HB3 GLU 27 HB1 GLU 27 5.922 10.304 4.019
202 HG2 GLU 27 HG2 GLU 27 7.020 7.585 4.393
203 HG3 GLU 27 HG1 GLU 27 7.963 8.930 5.034
204 H ASP 28 HN ASP 28 6.491 10.414 0.949
205 HA ASP 28 HA ASP 28 4.160 12.031 0.755
206 HB2 ASP 28 HB2 ASP 28 6.852 12.012 -0.537
207 HB3 ASP 28 HB1 ASP 28 5.559 12.917 -1.319
208 H LEU 29 HN LEU 29 4.995 9.056 -0.486
209 HA LEU 29 HA LEU 29 3.350 9.416 -2.893
210 HB2 LEU 29 HB2 LEU 29 5.250 7.223 -2.078
211 HB3 LEU 29 HB1 LEU 29 4.220 7.135 -3.493
212 HG LEU 29 HG LEU 29 6.233 9.339 -3.100
213 HD11 LEU 29 HD11 LEU 29 7.652 7.519 -3.143
214 HD12 LEU 29 HD12 LEU 29 7.510 7.915 -4.856
215 HD13 LEU 29 HD13 LEU 29 6.582 6.576 -4.181
216 HD21 LEU 29 HD21 LEU 29 5.782 9.952 -5.253
217 HD22 LEU 29 HD22 LEU 29 4.199 9.333 -4.781
218 HD23 LEU 29 HD23 LEU 29 5.292 8.327 -5.732
219 H GLU 30 HN GLU 30 3.183 8.430 0.284
220 HA GLU 30 HA GLU 30 1.333 6.274 -0.084
221 HB2 GLU 30 HB2 GLU 30 2.956 7.221 2.028
222 HB3 GLU 30 HB1 GLU 30 1.293 7.303 2.591
223 HG2 GLU 30 HG2 GLU 30 1.120 4.888 1.693
224 HG3 GLU 30 HG1 GLU 30 2.882 4.922 1.740
225 H SER 31 HN SER 31 1.202 9.707 0.513
226 HA SER 31 HA SER 31 -1.651 9.589 1.048
227 HB2 SER 31 HB2 SER 31 0.296 11.231 2.043
228 HB3 SER 31 HB1 SER 31 -0.430 12.250 0.800
229 HG SER 31 HG SER 31 -1.685 11.042 3.030
230 H VAL 32 HN VAL 32 0.298 9.789 -1.628
231 HA VAL 32 HA VAL 32 -1.176 11.602 -3.203
232 HB VAL 32 HB VAL 32 0.420 9.260 -4.248
233 HG11 VAL 32 HG11 VAL 32 0.406 11.902 -5.574
234 HG12 VAL 32 HG12 VAL 32 -1.105 10.993 -5.629
235 HG13 VAL 32 HG13 VAL 32 0.376 10.283 -6.271
236 HG21 VAL 32 HG21 VAL 32 1.755 10.487 -2.609
237 HG22 VAL 32 HG22 VAL 32 1.433 11.990 -3.471
238 HG23 VAL 32 HG23 VAL 32 2.371 10.712 -4.245
239 H GLY 33 HN GLY 33 -1.150 8.949 -5.067
240 HA2 GLY 33 HA2 GLY 33 -3.913 8.766 -5.371
241 HA3 GLY 33 HA1 GLY 33 -2.761 7.564 -5.931
242 H LYS 34 HN LYS 34 -1.790 7.144 -3.136
243 HA LYS 34 HA LYS 34 -3.436 4.962 -2.480
244 HB2 LYS 34 HB2 LYS 34 -1.056 6.257 -1.379
245 HB3 LYS 34 HB1 LYS 34 -2.088 5.554 -0.141
246 HG2 LYS 34 HG2 LYS 34 -0.369 3.992 -0.883
247 HG3 LYS 34 HG1 LYS 34 -1.989 3.397 -1.251
248 HD2 LYS 34 HD2 LYS 34 -1.401 4.754 -3.527
249 HD3 LYS 34 HD1 LYS 34 0.198 4.175 -3.055
250 HE2 LYS 34 HE2 LYS 34 -0.967 1.896 -2.744
251 HE3 LYS 34 HE1 LYS 34 -2.265 2.596 -3.710
252 HZ1 LYS 34 HZ1 LYS 34 0.470 2.807 -4.729
253 HZ2 LYS 34 HZ2 LYS 34 -0.985 2.632 -5.573
254 HZ3 LYS 34 HZ3 LYS 34 -0.285 1.295 -4.809
255 H GLY 35 HN GLY 35 -3.513 8.314 -1.538
256 HA2 GLY 35 HA2 GLY 35 -5.492 7.778 0.552
257 HA3 GLY 35 HA1 GLY 35 -4.717 9.322 0.232
258 H ALA 36 HN ALA 36 -5.335 8.818 -2.730
259 HA ALA 36 HA ALA 36 -7.797 10.267 -2.761
260 HB1 ALA 36 HB1 ALA 36 -7.558 9.956 -5.273
261 HB2 ALA 36 HB2 ALA 36 -6.032 9.147 -4.921
262 HB3 ALA 36 HB3 ALA 36 -6.264 10.832 -4.457
263 H VAL 37 HN VAL 37 -6.860 6.944 -3.056
264 HA VAL 37 HA VAL 37 -9.283 6.047 -4.267
265 HB VAL 37 HB VAL 37 -7.290 4.386 -2.732
266 HG11 VAL 37 HG11 VAL 37 -9.646 3.805 -4.404
267 HG12 VAL 37 HG12 VAL 37 -8.934 2.881 -3.081
268 HG13 VAL 37 HG13 VAL 37 -8.227 2.799 -4.695
269 HG21 VAL 37 HG21 VAL 37 -5.797 4.795 -4.327
270 HG22 VAL 37 HG22 VAL 37 -6.946 5.818 -5.189
271 HG23 VAL 37 HG23 VAL 37 -6.899 4.083 -5.505
272 H HIS 38 HN HIS 38 -7.898 5.542 -1.043
273 HA HIS 38 HA HIS 38 -10.207 4.469 0.127
274 HB2 HIS 38 HB2 HIS 38 -7.864 5.928 1.359
275 HB3 HIS 38 HB1 HIS 38 -9.114 5.119 2.300
276 HD1 HIS 38 HD1 HIS 38 -7.082 3.640 3.211
277 HD2 HIS 38 HD2 HIS 38 -8.049 3.126 -0.797
278 HE1 HIS 38 HE1 HIS 38 -5.980 1.486 2.525
279 HE2 HIS 38 HE2 HIS 38 -6.506 1.242 0.073
280 H ASP 39 HN ASP 39 -9.360 7.710 -0.675
281 HA ASP 39 HA ASP 39 -11.010 9.054 1.204
282 HB2 ASP 39 HB2 ASP 39 -9.467 9.770 -1.202
283 HB3 ASP 39 HB1 ASP 39 -10.870 10.790 -0.895
284 H VAL 40 HN VAL 40 -11.528 7.824 -2.052
285 HA VAL 40 HA VAL 40 -14.177 8.919 -2.269
286 HB VAL 40 HB VAL 40 -12.926 6.750 -3.957
287 HG11 VAL 40 HG11 VAL 40 -15.233 6.777 -4.384
288 HG12 VAL 40 HG12 VAL 40 -14.527 7.757 -5.669
289 HG13 VAL 40 HG13 VAL 40 -15.315 8.537 -4.298
290 HG21 VAL 40 HG21 VAL 40 -11.755 8.269 -5.131
291 HG22 VAL 40 HG22 VAL 40 -11.899 9.249 -3.672
292 HG23 VAL 40 HG23 VAL 40 -13.022 9.489 -5.010
293 H LYS 41 HN LYS 41 -12.751 5.863 -1.320
294 HA LYS 41 HA LYS 41 -15.051 4.261 -1.406
295 HB2 LYS 41 HB2 LYS 41 -12.444 4.133 0.039
296 HB3 LYS 41 HB1 LYS 41 -13.735 3.055 0.553
297 HG2 LYS 41 HG2 LYS 41 -13.074 3.194 -2.342
298 HG3 LYS 41 HG1 LYS 41 -11.980 2.329 -1.260
299 HD2 LYS 41 HD2 LYS 41 -14.420 1.393 -0.465
300 HD3 LYS 41 HD1 LYS 41 -14.663 1.614 -2.199
301 HE2 LYS 41 HE2 LYS 41 -12.184 0.425 -2.061
302 HE3 LYS 41 HE1 LYS 41 -13.075 -0.367 -0.763
303 HZ1 LYS 41 HZ1 LYS 41 -13.453 -0.526 -3.635
304 HZ2 LYS 41 HZ2 LYS 41 -14.875 -0.438 -2.723
305 HZ3 LYS 41 HZ3 LYS 41 -13.762 -1.679 -2.434
306 H ASP 42 HN ASP 42 -13.919 6.581 0.944
307 HA ASP 42 HA ASP 42 -15.725 5.773 3.017
308 HB2 ASP 42 HB2 ASP 42 -13.541 6.995 3.376
309 HB3 ASP 42 HB1 ASP 42 -14.329 8.439 2.748
310 H VAL 43 HN VAL 43 -15.760 8.131 0.420
311 HA VAL 43 HA VAL 43 -18.182 9.402 1.314
312 HB VAL 43 HB VAL 43 -16.908 9.590 -1.416
313 HG11 VAL 43 HG11 VAL 43 -18.461 11.757 -0.073
314 HG12 VAL 43 HG12 VAL 43 -19.316 10.433 -0.864
315 HG13 VAL 43 HG13 VAL 43 -18.214 11.451 -1.792
316 HG21 VAL 43 HG21 VAL 43 -15.608 11.422 -0.659
317 HG22 VAL 43 HG22 VAL 43 -15.353 10.118 0.501
318 HG23 VAL 43 HG23 VAL 43 -16.434 11.454 0.899
319 H LEU 44 HN LEU 44 -17.278 6.856 -0.902
320 HA LEU 44 HA LEU 44 -19.814 6.695 -2.200
321 HB2 LEU 44 HB2 LEU 44 -17.243 5.493 -2.470
322 HB3 LEU 44 HB1 LEU 44 -18.437 4.213 -2.374
323 HG LEU 44 HG LEU 44 -19.700 5.473 -4.209
324 HD11 LEU 44 HD11 LEU 44 -17.132 6.627 -5.078
325 HD12 LEU 44 HD12 LEU 44 -17.944 7.455 -3.750
326 HD13 LEU 44 HD13 LEU 44 -18.778 7.224 -5.287
327 HD21 LEU 44 HD21 LEU 44 -17.124 4.594 -5.348
328 HD22 LEU 44 HD22 LEU 44 -18.769 4.079 -5.722
329 HD23 LEU 44 HD23 LEU 44 -17.947 3.439 -4.299
330 H ASP 45 HN ASP 45 -18.379 5.271 0.639
331 HA ASP 45 HA ASP 45 -20.138 3.110 0.997
332 HB2 ASP 45 HB2 ASP 45 -18.176 4.566 2.631
333 HB3 ASP 45 HB1 ASP 45 -19.482 3.834 3.558
334 H SER 46 HN SER 46 -20.497 6.516 1.594
335 HA SER 46 HA SER 46 -22.841 6.187 3.258
336 HB2 SER 46 HB2 SER 46 -20.996 8.165 3.099
337 HB3 SER 46 HB1 SER 46 -22.265 8.839 2.077
338 HG SER 46 HG SER 46 -23.668 8.771 3.775
339 H VAL 47 HN VAL 47 -22.083 6.821 -0.091
340 HA VAL 47 HA VAL 47 -24.743 7.619 -0.815
341 HB VAL 47 HB VAL 47 -22.562 6.648 -2.661
342 HG11 VAL 47 HG11 VAL 47 -25.151 7.120 -3.251
343 HG12 VAL 47 HG12 VAL 47 -23.824 7.362 -4.387
344 HG13 VAL 47 HG13 VAL 47 -24.473 8.732 -3.485
345 HG21 VAL 47 HG21 VAL 47 -22.549 9.378 -2.833
346 HG22 VAL 47 HG22 VAL 47 -21.393 8.410 -1.920
347 HG23 VAL 47 HG23 VAL 47 -22.789 9.114 -1.106
348 H LEU 48 HN LEU 48 -22.957 4.622 -0.675
349 HA LEU 48 HA LEU 48 -23.568 2.451 -0.962
350 HB2 LEU 48 HB2 LEU 48 -25.606 3.557 0.376
351 HB3 LEU 48 HB1 LEU 48 -26.459 3.109 -1.089
352 HG LEU 48 HG LEU 48 -25.235 0.777 -0.599
353 HD11 LEU 48 HD11 LEU 48 -25.884 1.637 2.184
354 HD12 LEU 48 HD12 LEU 48 -24.283 1.956 1.517
355 HD13 LEU 48 HD13 LEU 48 -24.879 0.300 1.626
356 HD21 LEU 48 HD21 LEU 48 -27.832 1.895 0.372
357 HD22 LEU 48 HD22 LEU 48 -27.372 0.240 0.772
358 HD23 LEU 48 HD23 LEU 48 -27.525 0.729 -0.915
Start of MODEL 8
1 H1 SER 1 HT1 SER 1 4.826 -25.852 -4.790
2 H2 SER 1 HT2 SER 1 5.536 -26.926 -3.654
3 H3 SER 1 HT3 SER 1 6.233 -26.736 -5.211
4 HA SER 1 HA SER 1 7.433 -25.592 -3.452
5 HB2 SER 1 HB2 SER 1 6.803 -24.822 -6.030
6 HB3 SER 1 HB1 SER 1 6.457 -23.367 -5.095
7 HG SER 1 HG SER 1 8.621 -23.748 -4.146
8 H SER 2 HN SER 2 7.289 -22.977 -2.872
9 HA SER 2 HA SER 2 4.836 -22.726 -1.255
10 HB2 SER 2 HB2 SER 2 7.490 -21.526 -0.479
11 HB3 SER 2 HB1 SER 2 6.075 -21.810 0.535
12 HG SER 2 HG SER 2 6.475 -24.103 0.127
13 H LEU 3 HN LEU 3 3.585 -21.168 -2.029
14 HA LEU 3 HA LEU 3 4.623 -19.056 -3.677
15 HB2 LEU 3 HB2 LEU 3 2.027 -20.165 -3.010
16 HB3 LEU 3 HB1 LEU 3 1.993 -18.412 -3.004
17 HG LEU 3 HG LEU 3 3.136 -19.929 -5.330
18 HD11 LEU 3 HD11 LEU 3 1.082 -20.845 -5.539
19 HD12 LEU 3 HD12 LEU 3 0.703 -19.267 -6.229
20 HD13 LEU 3 HD13 LEU 3 0.308 -19.611 -4.545
21 HD21 LEU 3 HD21 LEU 3 3.688 -17.669 -5.472
22 HD22 LEU 3 HD22 LEU 3 2.129 -17.150 -4.830
23 HD23 LEU 3 HD23 LEU 3 2.236 -17.807 -6.463
24 H LEU 4 HN LEU 4 3.250 -19.302 -0.423
25 HA LEU 4 HA LEU 4 3.386 -16.509 0.115
26 HB2 LEU 4 HB2 LEU 4 2.746 -18.965 1.621
27 HB3 LEU 4 HB1 LEU 4 3.361 -17.633 2.581
28 HG LEU 4 HG LEU 4 1.511 -16.280 1.241
29 HD11 LEU 4 HD11 LEU 4 -0.519 -17.740 1.046
30 HD12 LEU 4 HD12 LEU 4 0.555 -19.132 1.184
31 HD13 LEU 4 HD13 LEU 4 0.725 -18.017 -0.173
32 HD21 LEU 4 HD21 LEU 4 1.092 -18.046 3.643
33 HD22 LEU 4 HD22 LEU 4 -0.064 -16.823 3.118
34 HD23 LEU 4 HD23 LEU 4 1.559 -16.346 3.618
35 H GLU 5 HN GLU 5 5.675 -19.090 0.244
36 HA GLU 5 HA GLU 5 7.471 -17.819 2.086
37 HB2 GLU 5 HB2 GLU 5 7.204 -20.369 1.343
38 HB3 GLU 5 HB1 GLU 5 8.432 -19.893 0.177
39 HG2 GLU 5 HG2 GLU 5 9.791 -19.045 2.109
40 HG3 GLU 5 HG1 GLU 5 8.613 -19.809 3.175
41 H LYS 6 HN LYS 6 6.953 -17.861 -1.353
42 HA LYS 6 HA LYS 6 9.424 -16.375 -1.807
43 HB2 LYS 6 HB2 LYS 6 7.455 -17.522 -3.792
44 HB3 LYS 6 HB1 LYS 6 8.970 -16.729 -4.201
45 HG2 LYS 6 HG2 LYS 6 8.684 -19.285 -2.636
46 HG3 LYS 6 HG1 LYS 6 9.172 -19.148 -4.326
47 HD2 LYS 6 HD2 LYS 6 11.263 -19.141 -3.509
48 HD3 LYS 6 HD1 LYS 6 10.928 -17.457 -3.103
49 HE2 LYS 6 HE2 LYS 6 10.798 -17.880 -0.891
50 HE3 LYS 6 HE1 LYS 6 10.011 -19.439 -1.131
51 HZ1 LYS 6 HZ1 LYS 6 11.969 -20.523 -1.159
52 HZ2 LYS 6 HZ2 LYS 6 12.510 -19.182 -0.282
53 HZ3 LYS 6 HZ3 LYS 6 12.796 -19.274 -1.946
54 H GLY 7 HN GLY 7 5.964 -16.019 -1.788
55 HA2 GLY 7 HA2 GLY 7 5.927 -13.513 -3.189
56 HA3 GLY 7 HA1 GLY 7 4.592 -14.233 -2.303
57 H LEU 8 HN LEU 8 5.783 -14.462 0.226
58 HA LEU 8 HA LEU 8 5.476 -11.777 1.160
59 HB2 LEU 8 HB2 LEU 8 4.999 -14.174 2.277
60 HB3 LEU 8 HB1 LEU 8 6.586 -13.861 2.955
61 HG LEU 8 HG LEU 8 5.719 -11.690 3.837
62 HD11 LEU 8 HD11 LEU 8 3.707 -11.959 2.082
63 HD12 LEU 8 HD12 LEU 8 3.600 -10.974 3.542
64 HD13 LEU 8 HD13 LEU 8 2.934 -12.607 3.529
65 HD21 LEU 8 HD21 LEU 8 4.008 -12.992 5.429
66 HD22 LEU 8 HD22 LEU 8 5.758 -13.168 5.551
67 HD23 LEU 8 HD23 LEU 8 4.810 -14.373 4.680
68 H ASP 9 HN ASP 9 8.135 -13.962 0.570
69 HA ASP 9 HA ASP 9 10.112 -12.444 1.916
70 HB2 ASP 9 HB2 ASP 9 10.221 -14.909 1.224
71 HB3 ASP 9 HB1 ASP 9 10.650 -14.317 -0.379
72 H GLY 10 HN GLY 10 8.611 -12.191 -1.180
73 HA2 GLY 10 HA2 GLY 10 10.688 -10.695 -2.459
74 HA3 GLY 10 HA1 GLY 10 9.033 -10.879 -3.023
75 H ALA 11 HN ALA 11 7.886 -9.934 -0.519
76 HA ALA 11 HA ALA 11 7.863 -7.167 -1.144
77 HB1 ALA 11 HB1 ALA 11 6.431 -8.936 0.727
78 HB2 ALA 11 HB2 ALA 11 5.809 -7.713 -0.380
79 HB3 ALA 11 HB3 ALA 11 6.513 -7.229 1.163
80 H LYS 12 HN LYS 12 8.754 -8.879 1.830
81 HA LYS 12 HA LYS 12 9.759 -6.727 3.245
82 HB2 LYS 12 HB2 LYS 12 10.922 -8.349 4.630
83 HB3 LYS 12 HB1 LYS 12 9.313 -8.929 4.226
84 HG2 LYS 12 HG2 LYS 12 10.115 -10.572 2.811
85 HG3 LYS 12 HG1 LYS 12 11.662 -9.755 2.577
86 HD2 LYS 12 HD2 LYS 12 11.028 -10.570 5.343
87 HD3 LYS 12 HD1 LYS 12 11.325 -11.880 4.198
88 HE2 LYS 12 HE2 LYS 12 13.486 -11.547 4.699
89 HE3 LYS 12 HE1 LYS 12 13.358 -10.169 3.606
90 HZ1 LYS 12 HZ1 LYS 12 14.115 -9.056 5.386
91 HZ2 LYS 12 HZ2 LYS 12 13.601 -10.226 6.494
92 HZ3 LYS 12 HZ3 LYS 12 12.500 -9.093 5.890
93 H LYS 13 HN LYS 13 11.189 -8.298 0.526
94 HA LYS 13 HA LYS 13 13.833 -7.237 1.185
95 HB2 LYS 13 HB2 LYS 13 14.640 -8.573 -0.692
96 HB3 LYS 13 HB1 LYS 13 13.702 -9.562 0.421
97 HG2 LYS 13 HG2 LYS 13 12.668 -10.276 -1.430
98 HG3 LYS 13 HG1 LYS 13 11.780 -8.752 -1.309
99 HD2 LYS 13 HD2 LYS 13 12.607 -8.093 -3.259
100 HD3 LYS 13 HD1 LYS 13 14.250 -8.252 -2.636
101 HE2 LYS 13 HE2 LYS 13 12.590 -10.323 -4.051
102 HE3 LYS 13 HE1 LYS 13 14.125 -9.625 -4.563
103 HZ1 LYS 13 HZ1 LYS 13 14.795 -11.627 -3.720
104 HZ2 LYS 13 HZ2 LYS 13 13.603 -11.668 -2.521
105 HZ3 LYS 13 HZ3 LYS 13 14.951 -10.662 -2.339
106 H ALA 14 HN ALA 14 11.694 -7.283 -1.685
107 HA ALA 14 HA ALA 14 13.090 -5.140 -2.938
108 HB1 ALA 14 HB1 ALA 14 11.006 -5.206 -4.462
109 HB2 ALA 14 HB2 ALA 14 10.580 -6.657 -3.554
110 HB3 ALA 14 HB3 ALA 14 12.093 -6.594 -4.458
111 H VAL 15 HN VAL 15 10.085 -5.520 -1.157
112 HA VAL 15 HA VAL 15 9.480 -2.741 -1.444
113 HB VAL 15 HB VAL 15 8.036 -4.634 0.382
114 HG11 VAL 15 HG11 VAL 15 6.131 -3.125 -0.096
115 HG12 VAL 15 HG12 VAL 15 7.226 -2.093 -1.016
116 HG13 VAL 15 HG13 VAL 15 7.475 -2.321 0.715
117 HG21 VAL 15 HG21 VAL 15 8.288 -5.443 -2.044
118 HG22 VAL 15 HG22 VAL 15 7.214 -4.106 -2.454
119 HG23 VAL 15 HG23 VAL 15 6.664 -5.376 -1.361
120 H GLY 16 HN GLY 16 10.624 -4.894 1.082
121 HA2 GLY 16 HA2 GLY 16 10.531 -2.979 3.183
122 HA3 GLY 16 HA1 GLY 16 11.448 -4.478 3.190
123 H GLY 17 HN GLY 17 12.959 -3.834 0.794
124 HA2 GLY 17 HA2 GLY 17 15.030 -2.281 2.065
125 HA3 GLY 17 HA1 GLY 17 15.120 -3.053 0.489
126 H LEU 18 HN LEU 18 12.935 -1.870 -0.770
127 HA LEU 18 HA LEU 18 14.042 0.752 -1.301
128 HB2 LEU 18 HB2 LEU 18 11.959 -0.952 -2.623
129 HB3 LEU 18 HB1 LEU 18 12.142 0.737 -3.056
130 HG LEU 18 HG LEU 18 14.548 0.249 -3.603
131 HD11 LEU 18 HD11 LEU 18 14.780 -1.790 -2.279
132 HD12 LEU 18 HD12 LEU 18 15.184 -2.072 -3.972
133 HD13 LEU 18 HD13 LEU 18 13.630 -2.609 -3.335
134 HD21 LEU 18 HD21 LEU 18 13.311 0.455 -5.511
135 HD22 LEU 18 HD22 LEU 18 12.200 -0.840 -5.065
136 HD23 LEU 18 HD23 LEU 18 13.813 -1.229 -5.663
137 H GLY 19 HN GLY 19 11.014 -0.621 -0.117
138 HA2 GLY 19 HA2 GLY 19 9.584 1.811 0.054
139 HA3 GLY 19 HA1 GLY 19 9.209 0.335 0.929
140 H LYS 20 HN LYS 20 12.148 0.652 1.954
141 HA LYS 20 HA LYS 20 11.376 2.066 4.357
142 HB2 LYS 20 HB2 LYS 20 13.569 0.211 3.606
143 HB3 LYS 20 HB1 LYS 20 13.869 1.332 4.928
144 HG2 LYS 20 HG2 LYS 20 11.402 -0.355 4.896
145 HG3 LYS 20 HG1 LYS 20 12.942 -1.013 5.456
146 HD2 LYS 20 HD2 LYS 20 12.102 1.614 6.546
147 HD3 LYS 20 HD1 LYS 20 11.215 0.190 7.093
148 HE2 LYS 20 HE2 LYS 20 14.200 0.155 7.087
149 HE3 LYS 20 HE1 LYS 20 13.346 1.001 8.377
150 HZ1 LYS 20 HZ1 LYS 20 13.495 -1.858 7.809
151 HZ2 LYS 20 HZ2 LYS 20 12.029 -1.273 8.417
152 HZ3 LYS 20 HZ3 LYS 20 13.457 -1.050 9.296
153 H LEU 21 HN LEU 21 14.169 2.156 2.207
154 HA LEU 21 HA LEU 21 14.886 4.806 3.103
155 HB2 LEU 21 HB2 LEU 21 16.702 4.651 1.449
156 HB3 LEU 21 HB1 LEU 21 16.672 3.258 2.514
157 HG LEU 21 HG LEU 21 15.196 2.278 0.498
158 HD11 LEU 21 HD11 LEU 21 15.570 3.169 -1.537
159 HD12 LEU 21 HD12 LEU 21 17.216 3.662 -1.139
160 HD13 LEU 21 HD13 LEU 21 15.849 4.640 -0.605
161 HD21 LEU 21 HD21 LEU 21 17.587 1.719 1.597
162 HD22 LEU 21 HD22 LEU 21 18.095 2.186 -0.026
163 HD23 LEU 21 HD23 LEU 21 16.936 0.875 0.192
164 H GLY 22 HN GLY 22 12.796 3.420 0.980
165 HA2 GLY 22 HA2 GLY 22 12.553 5.849 -0.660
166 HA3 GLY 22 HA1 GLY 22 12.063 4.235 -1.173
167 H LYS 23 HN LYS 23 11.403 4.708 2.070
168 HA LYS 23 HA LYS 23 8.671 4.389 1.855
169 HB2 LYS 23 HB2 LYS 23 10.298 4.222 3.908
170 HB3 LYS 23 HB1 LYS 23 9.837 5.900 4.165
171 HG2 LYS 23 HG2 LYS 23 7.549 5.314 4.443
172 HG3 LYS 23 HG1 LYS 23 7.850 3.657 3.913
173 HD2 LYS 23 HD2 LYS 23 8.585 3.019 5.939
174 HD3 LYS 23 HD1 LYS 23 9.497 4.510 6.181
175 HE2 LYS 23 HE2 LYS 23 7.745 5.583 7.178
176 HE3 LYS 23 HE1 LYS 23 6.534 4.665 6.285
177 HZ1 LYS 23 HZ1 LYS 23 6.902 4.232 8.803
178 HZ2 LYS 23 HZ2 LYS 23 8.202 3.288 8.275
179 HZ3 LYS 23 HZ3 LYS 23 6.633 2.928 7.758
180 H ASP 24 HN ASP 24 10.653 7.260 1.847
181 HA ASP 24 HA ASP 24 8.764 9.227 2.349
182 HB2 ASP 24 HB2 ASP 24 11.422 9.208 1.693
183 HB3 ASP 24 HB1 ASP 24 10.704 9.925 0.254
184 H ALA 25 HN ALA 25 9.283 7.317 -0.511
185 HA ALA 25 HA ALA 25 7.694 8.988 -2.238
186 HB1 ALA 25 HB1 ALA 25 9.188 6.455 -2.492
187 HB2 ALA 25 HB2 ALA 25 9.085 7.827 -3.595
188 HB3 ALA 25 HB3 ALA 25 7.787 6.634 -3.548
189 H VAL 26 HN VAL 26 7.322 5.975 -0.490
190 HA VAL 26 HA VAL 26 4.813 5.146 -1.263
191 HB VAL 26 HB VAL 26 6.199 5.017 1.394
192 HG11 VAL 26 HG11 VAL 26 3.667 3.616 0.536
193 HG12 VAL 26 HG12 VAL 26 3.851 4.762 1.863
194 HG13 VAL 26 HG13 VAL 26 4.613 3.174 1.957
195 HG21 VAL 26 HG21 VAL 26 7.430 3.770 -0.135
196 HG22 VAL 26 HG22 VAL 26 5.989 3.184 -0.964
197 HG23 VAL 26 HG23 VAL 26 6.398 2.565 0.636
198 H GLU 27 HN GLU 27 5.720 7.781 0.838
199 HA GLU 27 HA GLU 27 3.173 8.186 2.042
200 HB2 GLU 27 HB2 GLU 27 5.640 9.866 1.705
201 HB3 GLU 27 HB1 GLU 27 4.182 10.526 2.432
202 HG2 GLU 27 HG2 GLU 27 5.173 7.973 3.538
203 HG3 GLU 27 HG1 GLU 27 6.150 9.407 3.848
204 H ASP 28 HN ASP 28 4.986 9.740 -0.547
205 HA ASP 28 HA ASP 28 2.805 11.361 -1.370
206 HB2 ASP 28 HB2 ASP 28 5.369 11.706 -1.766
207 HB3 ASP 28 HB1 ASP 28 5.104 10.681 -3.174
208 H LEU 29 HN LEU 29 3.476 8.099 -1.640
209 HA LEU 29 HA LEU 29 1.938 7.824 -4.129
210 HB2 LEU 29 HB2 LEU 29 3.676 5.876 -2.622
211 HB3 LEU 29 HB1 LEU 29 2.679 5.423 -3.991
212 HG LEU 29 HG LEU 29 4.871 7.490 -4.124
213 HD11 LEU 29 HD11 LEU 29 5.140 4.811 -5.374
214 HD12 LEU 29 HD12 LEU 29 5.418 4.949 -3.638
215 HD13 LEU 29 HD13 LEU 29 6.379 5.907 -4.764
216 HD21 LEU 29 HD21 LEU 29 3.507 7.955 -5.913
217 HD22 LEU 29 HD22 LEU 29 2.984 6.280 -6.088
218 HD23 LEU 29 HD23 LEU 29 4.595 6.760 -6.620
219 H GLU 30 HN GLU 30 1.639 7.774 -0.799
220 HA GLU 30 HA GLU 30 -0.359 5.728 -0.640
221 HB2 GLU 30 HB2 GLU 30 1.090 7.456 1.246
222 HB3 GLU 30 HB1 GLU 30 -0.566 7.093 1.713
223 HG2 GLU 30 HG2 GLU 30 0.374 4.638 0.969
224 HG3 GLU 30 HG1 GLU 30 1.798 5.386 1.689
225 H SER 31 HN SER 31 -0.240 9.197 -0.979
226 HA SER 31 HA SER 31 -3.093 9.446 -0.520
227 HB2 SER 31 HB2 SER 31 -1.032 11.163 -0.020
228 HB3 SER 31 HB1 SER 31 -1.656 11.804 -1.539
229 HG SER 31 HG SER 31 -2.773 11.817 0.971
230 H VAL 32 HN VAL 32 -1.124 8.712 -3.093
231 HA VAL 32 HA VAL 32 -2.497 10.041 -5.168
232 HB VAL 32 HB VAL 32 -1.009 7.426 -5.433
233 HG11 VAL 32 HG11 VAL 32 -1.003 7.791 -7.666
234 HG12 VAL 32 HG12 VAL 32 -0.861 9.540 -7.486
235 HG13 VAL 32 HG13 VAL 32 -2.431 8.759 -7.297
236 HG21 VAL 32 HG21 VAL 32 0.121 10.221 -5.432
237 HG22 VAL 32 HG22 VAL 32 1.008 8.754 -5.848
238 HG23 VAL 32 HG23 VAL 32 0.398 8.981 -4.210
239 H GLY 33 HN GLY 33 -2.588 6.950 -6.145
240 HA2 GLY 33 HA2 GLY 33 -5.428 6.840 -6.197
241 HA3 GLY 33 HA1 GLY 33 -4.337 5.569 -6.729
242 H LYS 34 HN LYS 34 -3.098 5.811 -3.898
243 HA LYS 34 HA LYS 34 -4.636 3.675 -2.774
244 HB2 LYS 34 HB2 LYS 34 -2.192 3.776 -2.538
245 HB3 LYS 34 HB1 LYS 34 -2.341 5.255 -1.600
246 HG2 LYS 34 HG2 LYS 34 -2.340 3.957 0.201
247 HG3 LYS 34 HG1 LYS 34 -3.976 3.484 -0.261
248 HD2 LYS 34 HD2 LYS 34 -3.059 1.613 -1.557
249 HD3 LYS 34 HD1 LYS 34 -1.428 2.083 -1.074
250 HE2 LYS 34 HE2 LYS 34 -1.711 1.361 1.083
251 HE3 LYS 34 HE1 LYS 34 -3.456 1.609 1.051
252 HZ1 LYS 34 HZ1 LYS 34 -2.011 -0.564 -0.367
253 HZ2 LYS 34 HZ2 LYS 34 -3.687 -0.339 -0.339
254 HZ3 LYS 34 HZ3 LYS 34 -2.865 -0.743 1.083
255 H GLY 35 HN GLY 35 -4.409 7.124 -2.280
256 HA2 GLY 35 HA2 GLY 35 -6.121 6.951 0.097
257 HA3 GLY 35 HA1 GLY 35 -5.258 8.381 -0.448
258 H ALA 36 HN ALA 36 -6.427 7.404 -3.239
259 HA ALA 36 HA ALA 36 -8.588 9.270 -3.229
260 HB1 ALA 36 HB1 ALA 36 -7.074 8.883 -5.171
261 HB2 ALA 36 HB2 ALA 36 -8.790 8.797 -5.568
262 HB3 ALA 36 HB3 ALA 36 -7.848 7.315 -5.400
263 H VAL 37 HN VAL 37 -8.275 5.839 -2.868
264 HA VAL 37 HA VAL 37 -10.921 5.114 -3.535
265 HB VAL 37 HB VAL 37 -9.100 3.663 -1.619
266 HG11 VAL 37 HG11 VAL 37 -10.335 1.675 -2.410
267 HG12 VAL 37 HG12 VAL 37 -11.388 2.733 -3.349
268 HG13 VAL 37 HG13 VAL 37 -11.370 2.842 -1.589
269 HG21 VAL 37 HG21 VAL 37 -7.697 3.632 -3.392
270 HG22 VAL 37 HG22 VAL 37 -8.980 3.982 -4.551
271 HG23 VAL 37 HG23 VAL 37 -8.770 2.342 -3.936
272 H HIS 38 HN HIS 38 -9.348 5.365 -0.367
273 HA HIS 38 HA HIS 38 -11.760 5.225 1.108
274 HB2 HIS 38 HB2 HIS 38 -9.261 4.859 1.846
275 HB3 HIS 38 HB1 HIS 38 -9.322 6.584 2.195
276 HD1 HIS 38 HD1 HIS 38 -8.860 4.913 4.573
277 HD2 HIS 38 HD2 HIS 38 -12.697 5.673 3.170
278 HE1 HIS 38 HE1 HIS 38 -10.381 4.537 6.540
279 HE2 HIS 38 HE2 HIS 38 -12.689 5.084 5.689
280 H ASP 39 HN ASP 39 -10.158 7.774 -0.563
281 HA ASP 39 HA ASP 39 -11.185 9.969 0.908
282 HB2 ASP 39 HB2 ASP 39 -9.800 9.569 -1.664
283 HB3 ASP 39 HB1 ASP 39 -10.830 10.994 -1.589
284 H VAL 40 HN VAL 40 -12.329 8.241 -1.952
285 HA VAL 40 HA VAL 40 -14.644 9.917 -2.257
286 HB VAL 40 HB VAL 40 -14.136 7.220 -3.517
287 HG11 VAL 40 HG11 VAL 40 -16.302 7.581 -4.071
288 HG12 VAL 40 HG12 VAL 40 -15.569 8.586 -5.321
289 HG13 VAL 40 HG13 VAL 40 -16.185 9.326 -3.843
290 HG21 VAL 40 HG21 VAL 40 -12.952 8.212 -5.231
291 HG22 VAL 40 HG22 VAL 40 -12.385 9.127 -3.835
292 HG23 VAL 40 HG23 VAL 40 -13.610 9.814 -4.902
293 H LYS 41 HN LYS 41 -13.949 6.751 -0.888
294 HA LYS 41 HA LYS 41 -16.578 5.887 -0.464
295 HB2 LYS 41 HB2 LYS 41 -13.914 5.209 0.656
296 HB3 LYS 41 HB1 LYS 41 -15.317 4.704 1.588
297 HG2 LYS 41 HG2 LYS 41 -15.068 4.082 -1.333
298 HG3 LYS 41 HG1 LYS 41 -14.343 3.054 -0.095
299 HD2 LYS 41 HD2 LYS 41 -17.251 3.832 -0.076
300 HD3 LYS 41 HD1 LYS 41 -16.653 2.386 -0.893
301 HE2 LYS 41 HE2 LYS 41 -15.493 2.098 1.528
302 HE3 LYS 41 HE1 LYS 41 -16.967 2.952 1.983
303 HZ1 LYS 41 HZ1 LYS 41 -18.221 1.171 1.545
304 HZ2 LYS 41 HZ2 LYS 41 -16.779 0.292 1.634
305 HZ3 LYS 41 HZ3 LYS 41 -17.380 0.779 0.130
306 H ASP 42 HN ASP 42 -14.599 8.163 1.274
307 HA ASP 42 HA ASP 42 -16.202 8.188 3.647
308 HB2 ASP 42 HB2 ASP 42 -13.691 9.102 3.008
309 HB3 ASP 42 HB1 ASP 42 -14.616 10.597 3.105
310 H VAL 43 HN VAL 43 -16.021 10.129 0.713
311 HA VAL 43 HA VAL 43 -17.996 12.019 1.611
312 HB VAL 43 HB VAL 43 -17.000 11.595 -1.207
313 HG11 VAL 43 HG11 VAL 43 -18.697 13.044 -1.551
314 HG12 VAL 43 HG12 VAL 43 -17.515 14.227 -0.991
315 HG13 VAL 43 HG13 VAL 43 -18.719 13.586 0.127
316 HG21 VAL 43 HG21 VAL 43 -15.750 12.905 1.140
317 HG22 VAL 43 HG22 VAL 43 -15.617 13.727 -0.414
318 HG23 VAL 43 HG23 VAL 43 -15.005 12.083 -0.231
319 H LEU 44 HN LEU 44 -17.919 9.123 -0.358
320 HA LEU 44 HA LEU 44 -20.417 9.331 -1.584
321 HB2 LEU 44 HB2 LEU 44 -18.418 7.551 -1.725
322 HB3 LEU 44 HB1 LEU 44 -19.519 6.647 -0.703
323 HG LEU 44 HG LEU 44 -20.533 7.836 -3.253
324 HD11 LEU 44 HD11 LEU 44 -19.955 5.676 -4.365
325 HD12 LEU 44 HD12 LEU 44 -18.912 5.313 -2.990
326 HD13 LEU 44 HD13 LEU 44 -18.572 6.712 -4.009
327 HD21 LEU 44 HD21 LEU 44 -21.291 5.150 -2.298
328 HD22 LEU 44 HD22 LEU 44 -22.287 6.446 -2.961
329 HD23 LEU 44 HD23 LEU 44 -21.773 6.504 -1.275
330 H ASP 45 HN ASP 45 -19.523 8.356 1.648
331 HA ASP 45 HA ASP 45 -22.134 7.313 2.287
332 HB2 ASP 45 HB2 ASP 45 -21.245 7.069 4.561
333 HB3 ASP 45 HB1 ASP 45 -20.135 6.396 3.372
334 H SER 46 HN SER 46 -20.545 10.380 2.395
335 HA SER 46 HA SER 46 -22.416 11.527 4.285
336 HB2 SER 46 HB2 SER 46 -20.237 12.810 2.618
337 HB3 SER 46 HB1 SER 46 -21.186 13.637 3.854
338 HG SER 46 HG SER 46 -19.587 12.980 5.075
339 H VAL 47 HN VAL 47 -21.937 11.367 0.829
340 HA VAL 47 HA VAL 47 -23.991 13.352 0.304
341 HB VAL 47 HB VAL 47 -22.561 11.593 -1.690
342 HG11 VAL 47 HG11 VAL 47 -23.563 12.771 -3.330
343 HG12 VAL 47 HG12 VAL 47 -23.521 14.280 -2.418
344 HG13 VAL 47 HG13 VAL 47 -24.775 13.084 -2.087
345 HG21 VAL 47 HG21 VAL 47 -21.477 14.112 -1.910
346 HG22 VAL 47 HG22 VAL 47 -20.718 12.726 -1.127
347 HG23 VAL 47 HG23 VAL 47 -21.624 13.893 -0.166
348 H LEU 48 HN LEU 48 -23.597 9.879 0.319
349 HA LEU 48 HA LEU 48 -25.068 8.159 0.099
350 HB2 LEU 48 HB2 LEU 48 -26.340 10.040 1.604
351 HB3 LEU 48 HB1 LEU 48 -27.481 9.835 0.289
352 HG LEU 48 HG LEU 48 -27.519 7.392 0.753
353 HD11 LEU 48 HD11 LEU 48 -26.319 7.794 3.417
354 HD12 LEU 48 HD12 LEU 48 -25.200 7.751 2.054
355 HD13 LEU 48 HD13 LEU 48 -26.281 6.390 2.351
356 HD21 LEU 48 HD21 LEU 48 -29.262 8.787 1.657
357 HD22 LEU 48 HD22 LEU 48 -28.245 9.234 3.026
358 HD23 LEU 48 HD23 LEU 48 -28.814 7.574 2.856
Start of MODEL 9
1 H1 SER 1 HT1 SER 1 4.145 -26.646 -1.015
2 H2 SER 1 HT2 SER 1 5.170 -25.613 -1.925
3 H3 SER 1 HT3 SER 1 3.916 -26.487 -2.707
4 HA SER 1 HA SER 1 3.112 -24.367 -2.538
5 HB2 SER 1 HB2 SER 1 1.834 -26.453 -1.434
6 HB3 SER 1 HB1 SER 1 1.945 -25.420 -0.009
7 HG SER 1 HG SER 1 0.980 -23.749 -1.314
8 H SER 2 HN SER 2 3.485 -22.361 -1.834
9 HA SER 2 HA SER 2 3.904 -21.676 0.884
10 HB2 SER 2 HB2 SER 2 6.237 -20.982 0.795
11 HB3 SER 2 HB1 SER 2 6.118 -22.698 0.407
12 HG SER 2 HG SER 2 6.739 -22.305 -1.585
13 H LEU 3 HN LEU 3 2.385 -20.100 0.511
14 HA LEU 3 HA LEU 3 2.548 -18.266 -1.669
15 HB2 LEU 3 HB2 LEU 3 0.917 -18.357 0.854
16 HB3 LEU 3 HB1 LEU 3 0.831 -16.993 -0.244
17 HG LEU 3 HG LEU 3 0.283 -18.768 -2.051
18 HD11 LEU 3 HD11 LEU 3 -0.382 -20.293 0.463
19 HD12 LEU 3 HD12 LEU 3 0.835 -20.732 -0.736
20 HD13 LEU 3 HD13 LEU 3 -0.874 -20.742 -1.170
21 HD21 LEU 3 HD21 LEU 3 -1.485 -17.397 -1.707
22 HD22 LEU 3 HD22 LEU 3 -1.428 -17.581 0.046
23 HD23 LEU 3 HD23 LEU 3 -2.154 -18.843 -0.950
24 H LEU 4 HN LEU 4 3.334 -18.080 1.784
25 HA LEU 4 HA LEU 4 4.066 -15.376 1.849
26 HB2 LEU 4 HB2 LEU 4 4.406 -17.728 3.566
27 HB3 LEU 4 HB1 LEU 4 5.683 -16.539 3.737
28 HG LEU 4 HG LEU 4 3.626 -14.875 3.939
29 HD11 LEU 4 HD11 LEU 4 2.018 -16.329 5.505
30 HD12 LEU 4 HD12 LEU 4 2.482 -17.568 4.339
31 HD13 LEU 4 HD13 LEU 4 1.719 -16.078 3.785
32 HD21 LEU 4 HD21 LEU 4 4.008 -14.830 6.226
33 HD22 LEU 4 HD22 LEU 4 5.488 -15.557 5.599
34 HD23 LEU 4 HD23 LEU 4 4.244 -16.575 6.324
35 H GLU 5 HN GLU 5 5.693 -18.118 0.543
36 HA GLU 5 HA GLU 5 8.329 -16.990 0.624
37 HB2 GLU 5 HB2 GLU 5 7.091 -19.488 -0.245
38 HB3 GLU 5 HB1 GLU 5 8.354 -18.943 -1.340
39 HG2 GLU 5 HG2 GLU 5 9.705 -20.055 0.049
40 HG3 GLU 5 HG1 GLU 5 9.582 -18.600 1.038
41 H LYS 6 HN LYS 6 5.622 -16.987 -1.559
42 HA LYS 6 HA LYS 6 7.223 -15.707 -3.637
43 HB2 LYS 6 HB2 LYS 6 5.013 -17.490 -3.670
44 HB3 LYS 6 HB1 LYS 6 4.485 -15.983 -4.405
45 HG2 LYS 6 HG2 LYS 6 5.354 -17.559 -6.057
46 HG3 LYS 6 HG1 LYS 6 6.315 -16.080 -5.990
47 HD2 LYS 6 HD2 LYS 6 7.668 -17.565 -4.215
48 HD3 LYS 6 HD1 LYS 6 7.029 -18.852 -5.239
49 HE2 LYS 6 HE2 LYS 6 8.354 -16.464 -6.461
50 HE3 LYS 6 HE1 LYS 6 9.327 -17.780 -5.804
51 HZ1 LYS 6 HZ1 LYS 6 7.160 -18.562 -7.573
52 HZ2 LYS 6 HZ2 LYS 6 8.739 -19.160 -7.464
53 HZ3 LYS 6 HZ3 LYS 6 8.435 -17.723 -8.304
54 H GLY 7 HN GLY 7 4.773 -15.034 -1.275
55 HA2 GLY 7 HA2 GLY 7 4.021 -12.502 -2.462
56 HA3 GLY 7 HA1 GLY 7 3.454 -13.148 -0.930
57 H LEU 8 HN LEU 8 5.880 -13.562 0.373
58 HA LEU 8 HA LEU 8 6.466 -10.895 1.216
59 HB2 LEU 8 HB2 LEU 8 6.534 -13.294 2.453
60 HB3 LEU 8 HB1 LEU 8 8.235 -13.106 2.071
61 HG LEU 8 HG LEU 8 7.804 -10.701 3.157
62 HD11 LEU 8 HD11 LEU 8 6.124 -10.562 4.675
63 HD12 LEU 8 HD12 LEU 8 6.119 -12.297 4.996
64 HD13 LEU 8 HD13 LEU 8 5.354 -11.667 3.537
65 HD21 LEU 8 HD21 LEU 8 9.539 -12.111 3.929
66 HD22 LEU 8 HD22 LEU 8 8.395 -13.306 4.540
67 HD23 LEU 8 HD23 LEU 8 8.543 -11.739 5.336
68 H ASP 9 HN ASP 9 7.982 -13.268 -0.840
69 HA ASP 9 HA ASP 9 10.555 -12.161 -0.940
70 HB2 ASP 9 HB2 ASP 9 10.058 -14.418 -1.756
71 HB3 ASP 9 HB1 ASP 9 9.084 -13.740 -3.058
72 H GLY 10 HN GLY 10 7.637 -11.490 -2.788
73 HA2 GLY 10 HA2 GLY 10 8.916 -9.697 -4.622
74 HA3 GLY 10 HA1 GLY 10 7.183 -9.910 -4.406
75 H ALA 11 HN ALA 11 7.287 -9.410 -1.550
76 HA ALA 11 HA ALA 11 7.019 -6.583 -1.644
77 HB1 ALA 11 HB1 ALA 11 6.814 -7.078 0.974
78 HB2 ALA 11 HB2 ALA 11 6.535 -8.703 0.349
79 HB3 ALA 11 HB3 ALA 11 5.500 -7.371 -0.166
80 H LYS 12 HN LYS 12 9.095 -8.683 0.315
81 HA LYS 12 HA LYS 12 10.656 -6.706 1.474
82 HB2 LYS 12 HB2 LYS 12 10.821 -9.608 1.122
83 HB3 LYS 12 HB1 LYS 12 12.386 -8.827 1.296
84 HG2 LYS 12 HG2 LYS 12 11.472 -9.597 3.436
85 HG3 LYS 12 HG1 LYS 12 11.711 -7.849 3.396
86 HD2 LYS 12 HD2 LYS 12 9.451 -7.407 3.348
87 HD3 LYS 12 HD1 LYS 12 9.053 -8.972 2.636
88 HE2 LYS 12 HE2 LYS 12 8.379 -9.469 4.726
89 HE3 LYS 12 HE1 LYS 12 10.097 -9.756 5.000
90 HZ1 LYS 12 HZ1 LYS 12 10.334 -7.572 5.902
91 HZ2 LYS 12 HZ2 LYS 12 9.042 -8.323 6.693
92 HZ3 LYS 12 HZ3 LYS 12 8.742 -7.163 5.500
93 H LYS 13 HN LYS 13 10.747 -7.802 -1.794
94 HA LYS 13 HA LYS 13 13.482 -6.860 -2.170
95 HB2 LYS 13 HB2 LYS 13 13.242 -7.697 -4.461
96 HB3 LYS 13 HB1 LYS 13 12.812 -8.931 -3.283
97 HG2 LYS 13 HG2 LYS 13 10.992 -9.211 -4.549
98 HG3 LYS 13 HG1 LYS 13 10.408 -7.756 -3.734
99 HD2 LYS 13 HD2 LYS 13 10.353 -6.663 -5.664
100 HD3 LYS 13 HD1 LYS 13 12.071 -6.976 -5.916
101 HE2 LYS 13 HE2 LYS 13 11.645 -8.503 -7.484
102 HE3 LYS 13 HE1 LYS 13 10.477 -9.330 -6.455
103 HZ1 LYS 13 HZ1 LYS 13 9.072 -7.191 -7.153
104 HZ2 LYS 13 HZ2 LYS 13 9.059 -8.631 -8.039
105 HZ3 LYS 13 HZ3 LYS 13 10.041 -7.345 -8.531
106 H ALA 14 HN ALA 14 10.328 -6.232 -3.738
107 HA ALA 14 HA ALA 14 11.254 -3.826 -4.957
108 HB1 ALA 14 HB1 ALA 14 8.602 -5.205 -4.762
109 HB2 ALA 14 HB2 ALA 14 9.584 -4.875 -6.189
110 HB3 ALA 14 HB3 ALA 14 8.717 -3.562 -5.393
111 H VAL 15 HN VAL 15 9.150 -4.672 -2.267
112 HA VAL 15 HA VAL 15 8.812 -1.923 -1.568
113 HB VAL 15 HB VAL 15 7.936 -4.245 0.114
114 HG11 VAL 15 HG11 VAL 15 7.899 -1.626 0.701
115 HG12 VAL 15 HG12 VAL 15 6.701 -2.775 1.297
116 HG13 VAL 15 HG13 VAL 15 6.341 -1.778 -0.112
117 HG21 VAL 15 HG21 VAL 15 6.274 -4.779 -1.283
118 HG22 VAL 15 HG22 VAL 15 7.156 -3.873 -2.510
119 HG23 VAL 15 HG23 VAL 15 5.878 -3.088 -1.584
120 H GLY 16 HN GLY 16 10.428 -4.740 -0.192
121 HA2 GLY 16 HA2 GLY 16 11.359 -3.468 2.152
122 HA3 GLY 16 HA1 GLY 16 12.037 -4.924 1.441
123 H GLY 17 HN GLY 17 12.558 -3.503 -1.121
124 HA2 GLY 17 HA2 GLY 17 15.176 -2.525 -0.411
125 HA3 GLY 17 HA1 GLY 17 14.525 -2.686 -2.035
126 H LEU 18 HN LEU 18 12.496 -1.088 -2.281
127 HA LEU 18 HA LEU 18 13.649 1.545 -1.943
128 HB2 LEU 18 HB2 LEU 18 12.245 0.420 -3.957
129 HB3 LEU 18 HB1 LEU 18 10.956 1.266 -3.122
130 HG LEU 18 HG LEU 18 12.781 3.248 -3.264
131 HD11 LEU 18 HD11 LEU 18 14.489 2.473 -4.526
132 HD12 LEU 18 HD12 LEU 18 13.420 2.955 -5.844
133 HD13 LEU 18 HD13 LEU 18 13.490 1.267 -5.338
134 HD21 LEU 18 HD21 LEU 18 11.529 3.649 -5.603
135 HD22 LEU 18 HD22 LEU 18 10.758 3.896 -4.037
136 HD23 LEU 18 HD23 LEU 18 10.493 2.394 -4.923
137 H GLY 19 HN GLY 19 10.818 -0.232 -0.829
138 HA2 GLY 19 HA2 GLY 19 9.504 1.925 0.428
139 HA3 GLY 19 HA1 GLY 19 9.261 0.226 0.791
140 H LYS 20 HN LYS 20 12.348 0.305 1.355
141 HA LYS 20 HA LYS 20 12.005 0.781 4.189
142 HB2 LYS 20 HB2 LYS 20 14.066 -0.566 2.517
143 HB3 LYS 20 HB1 LYS 20 14.522 -0.003 4.120
144 HG2 LYS 20 HG2 LYS 20 12.089 -1.698 3.729
145 HG3 LYS 20 HG1 LYS 20 13.695 -2.422 3.839
146 HD2 LYS 20 HD2 LYS 20 13.248 -0.461 5.929
147 HD3 LYS 20 HD1 LYS 20 12.029 -1.737 5.955
148 HE2 LYS 20 HE2 LYS 20 13.584 -3.397 6.357
149 HE3 LYS 20 HE1 LYS 20 14.914 -2.457 5.682
150 HZ1 LYS 20 HZ1 LYS 20 15.283 -1.417 7.628
151 HZ2 LYS 20 HZ2 LYS 20 14.519 -2.774 8.288
152 HZ3 LYS 20 HZ3 LYS 20 13.645 -1.346 8.047
153 H LEU 21 HN LEU 21 14.403 1.739 1.787
154 HA LEU 21 HA LEU 21 15.264 3.962 3.422
155 HB2 LEU 21 HB2 LEU 21 16.017 3.386 0.555
156 HB3 LEU 21 HB1 LEU 21 16.869 4.425 1.681
157 HG LEU 21 HG LEU 21 16.616 1.431 1.975
158 HD11 LEU 21 HD11 LEU 21 17.957 1.933 0.039
159 HD12 LEU 21 HD12 LEU 21 19.009 1.410 1.355
160 HD13 LEU 21 HD13 LEU 21 18.889 3.122 0.948
161 HD21 LEU 21 HD21 LEU 21 17.771 3.595 3.631
162 HD22 LEU 21 HD22 LEU 21 18.706 2.107 3.490
163 HD23 LEU 21 HD23 LEU 21 17.056 2.056 4.111
164 H GLY 22 HN GLY 22 12.859 3.266 1.300
165 HA2 GLY 22 HA2 GLY 22 12.366 6.089 0.642
166 HA3 GLY 22 HA1 GLY 22 11.802 4.723 -0.317
167 H LYS 23 HN LYS 23 11.674 4.079 2.976
168 HA LYS 23 HA LYS 23 8.940 3.680 3.070
169 HB2 LYS 23 HB2 LYS 23 10.875 2.943 4.686
170 HB3 LYS 23 HB1 LYS 23 10.451 4.415 5.551
171 HG2 LYS 23 HG2 LYS 23 8.094 3.573 5.646
172 HG3 LYS 23 HG1 LYS 23 8.689 2.043 4.997
173 HD2 LYS 23 HD2 LYS 23 10.213 1.840 6.914
174 HD3 LYS 23 HD1 LYS 23 9.582 3.353 7.566
175 HE2 LYS 23 HE2 LYS 23 7.538 1.353 6.909
176 HE3 LYS 23 HE1 LYS 23 8.647 0.873 8.192
177 HZ1 LYS 23 HZ1 LYS 23 8.077 3.352 8.949
178 HZ2 LYS 23 HZ2 LYS 23 7.185 2.005 9.452
179 HZ3 LYS 23 HZ3 LYS 23 6.626 2.960 8.172
180 H ASP 24 HN ASP 24 10.898 6.489 3.769
181 HA ASP 24 HA ASP 24 8.907 8.038 5.039
182 HB2 ASP 24 HB2 ASP 24 11.623 8.418 4.091
183 HB3 ASP 24 HB1 ASP 24 10.631 9.838 3.776
184 H ALA 25 HN ALA 25 9.756 7.494 1.692
185 HA ALA 25 HA ALA 25 8.073 9.597 0.668
186 HB1 ALA 25 HB1 ALA 25 9.906 9.088 -0.711
187 HB2 ALA 25 HB2 ALA 25 8.519 8.379 -1.538
188 HB3 ALA 25 HB3 ALA 25 9.610 7.352 -0.609
189 H VAL 26 HN VAL 26 7.946 6.129 1.076
190 HA VAL 26 HA VAL 26 5.663 5.403 -0.250
191 HB VAL 26 HB VAL 26 6.767 4.488 2.384
192 HG11 VAL 26 HG11 VAL 26 4.726 3.558 2.701
193 HG12 VAL 26 HG12 VAL 26 5.333 2.353 1.565
194 HG13 VAL 26 HG13 VAL 26 4.298 3.661 0.993
195 HG21 VAL 26 HG21 VAL 26 7.238 3.831 -0.442
196 HG22 VAL 26 HG22 VAL 26 7.134 2.448 0.648
197 HG23 VAL 26 HG23 VAL 26 8.319 3.720 0.948
198 H GLU 27 HN GLU 27 5.964 7.182 2.746
199 HA GLU 27 HA GLU 27 3.257 6.931 3.588
200 HB2 GLU 27 HB2 GLU 27 5.545 8.739 4.267
201 HB3 GLU 27 HB1 GLU 27 3.933 9.106 4.861
202 HG2 GLU 27 HG2 GLU 27 5.422 6.538 5.362
203 HG3 GLU 27 HG1 GLU 27 5.294 7.880 6.498
204 H ASP 28 HN ASP 28 5.160 9.417 1.983
205 HA ASP 28 HA ASP 28 2.920 11.075 1.432
206 HB2 ASP 28 HB2 ASP 28 5.635 11.466 1.409
207 HB3 ASP 28 HB1 ASP 28 5.267 11.395 -0.312
208 H LEU 29 HN LEU 29 3.953 8.151 0.216
209 HA LEU 29 HA LEU 29 2.785 8.645 -2.433
210 HB2 LEU 29 HB2 LEU 29 4.485 6.385 -1.388
211 HB3 LEU 29 HB1 LEU 29 3.735 6.382 -2.971
212 HG LEU 29 HG LEU 29 5.697 8.490 -2.080
213 HD11 LEU 29 HD11 LEU 29 7.073 6.654 -2.083
214 HD12 LEU 29 HD12 LEU 29 7.162 7.140 -3.776
215 HD13 LEU 29 HD13 LEU 29 6.117 5.802 -3.296
216 HD21 LEU 29 HD21 LEU 29 4.105 9.021 -3.937
217 HD22 LEU 29 HD22 LEU 29 4.820 7.692 -4.848
218 HD23 LEU 29 HD23 LEU 29 5.809 9.077 -4.388
219 H GLU 30 HN GLU 30 2.048 7.489 0.613
220 HA GLU 30 HA GLU 30 0.272 5.394 -0.202
221 HB2 GLU 30 HB2 GLU 30 1.598 5.843 2.099
222 HB3 GLU 30 HB1 GLU 30 0.038 6.535 2.517
223 HG2 GLU 30 HG2 GLU 30 -0.860 4.265 1.544
224 HG3 GLU 30 HG1 GLU 30 0.770 3.717 1.932
225 H SER 31 HN SER 31 0.075 8.791 0.533
226 HA SER 31 HA SER 31 -2.828 8.707 0.579
227 HB2 SER 31 HB2 SER 31 -0.776 10.715 1.337
228 HB3 SER 31 HB1 SER 31 -2.337 11.329 0.793
229 HG SER 31 HG SER 31 -1.931 10.739 3.158
230 H VAL 32 HN VAL 32 -0.441 8.992 -1.712
231 HA VAL 32 HA VAL 32 -1.625 10.874 -3.446
232 HB VAL 32 HB VAL 32 0.136 8.568 -4.288
233 HG11 VAL 32 HG11 VAL 32 -1.127 10.381 -5.834
234 HG12 VAL 32 HG12 VAL 32 0.428 9.660 -6.248
235 HG13 VAL 32 HG13 VAL 32 0.367 11.253 -5.493
236 HG21 VAL 32 HG21 VAL 32 2.054 10.013 -3.887
237 HG22 VAL 32 HG22 VAL 32 1.167 9.716 -2.394
238 HG23 VAL 32 HG23 VAL 32 0.992 11.258 -3.230
239 H GLY 33 HN GLY 33 -1.269 8.292 -5.376
240 HA2 GLY 33 HA2 GLY 33 -4.020 8.096 -6.000
241 HA3 GLY 33 HA1 GLY 33 -2.748 7.066 -6.638
242 H LYS 34 HN LYS 34 -2.011 6.395 -3.758
243 HA LYS 34 HA LYS 34 -3.648 4.052 -3.588
244 HB2 LYS 34 HB2 LYS 34 -1.182 4.248 -2.957
245 HB3 LYS 34 HB1 LYS 34 -1.729 5.030 -1.481
246 HG2 LYS 34 HG2 LYS 34 -1.743 2.967 -0.632
247 HG3 LYS 34 HG1 LYS 34 -3.263 2.782 -1.509
248 HD2 LYS 34 HD2 LYS 34 -2.061 1.836 -3.410
249 HD3 LYS 34 HD1 LYS 34 -0.530 2.051 -2.560
250 HE2 LYS 34 HE2 LYS 34 -1.263 0.507 -0.824
251 HE3 LYS 34 HE1 LYS 34 -2.819 0.320 -1.631
252 HZ1 LYS 34 HZ1 LYS 34 -1.285 -0.369 -3.619
253 HZ2 LYS 34 HZ2 LYS 34 -1.716 -1.489 -2.427
254 HZ3 LYS 34 HZ3 LYS 34 -0.197 -0.747 -2.380
255 H GLY 35 HN GLY 35 -3.575 7.172 -2.027
256 HA2 GLY 35 HA2 GLY 35 -5.434 6.365 0.051
257 HA3 GLY 35 HA1 GLY 35 -4.769 7.973 -0.189
258 H ALA 36 HN ALA 36 -5.753 7.240 -3.166
259 HA ALA 36 HA ALA 36 -8.108 8.845 -2.986
260 HB1 ALA 36 HB1 ALA 36 -7.161 9.242 -5.004
261 HB2 ALA 36 HB2 ALA 36 -8.216 7.919 -5.500
262 HB3 ALA 36 HB3 ALA 36 -6.516 7.607 -5.146
263 H VAL 37 HN VAL 37 -7.420 5.452 -3.032
264 HA VAL 37 HA VAL 37 -9.973 4.540 -3.836
265 HB VAL 37 HB VAL 37 -7.975 3.061 -2.127
266 HG11 VAL 37 HG11 VAL 37 -10.183 2.035 -2.187
267 HG12 VAL 37 HG12 VAL 37 -9.016 1.058 -3.078
268 HG13 VAL 37 HG13 VAL 37 -10.165 2.072 -3.950
269 HG21 VAL 37 HG21 VAL 37 -7.421 4.082 -4.581
270 HG22 VAL 37 HG22 VAL 37 -8.069 2.498 -5.007
271 HG23 VAL 37 HG23 VAL 37 -6.688 2.622 -3.918
272 H HIS 38 HN HIS 38 -8.423 4.537 -0.646
273 HA HIS 38 HA HIS 38 -10.761 3.907 0.793
274 HB2 HIS 38 HB2 HIS 38 -8.254 3.833 1.520
275 HB3 HIS 38 HB1 HIS 38 -8.524 5.505 2.000
276 HD1 HIS 38 HD1 HIS 38 -7.837 3.533 4.170
277 HD2 HIS 38 HD2 HIS 38 -11.743 4.308 2.983
278 HE1 HIS 38 HE1 HIS 38 -9.277 2.872 6.123
279 HE2 HIS 38 HE2 HIS 38 -11.641 3.270 5.350
280 H ASP 39 HN ASP 39 -9.608 6.841 -0.592
281 HA ASP 39 HA ASP 39 -10.964 8.675 1.100
282 HB2 ASP 39 HB2 ASP 39 -9.121 9.367 -0.367
283 HB3 ASP 39 HB1 ASP 39 -10.096 8.988 -1.784
284 H VAL 40 HN VAL 40 -11.921 6.786 -1.677
285 HA VAL 40 HA VAL 40 -14.274 8.188 -2.347
286 HB VAL 40 HB VAL 40 -13.815 5.224 -2.692
287 HG11 VAL 40 HG11 VAL 40 -15.178 5.882 -4.843
288 HG12 VAL 40 HG12 VAL 40 -15.720 7.214 -3.822
289 HG13 VAL 40 HG13 VAL 40 -15.996 5.547 -3.317
290 HG21 VAL 40 HG21 VAL 40 -11.974 5.916 -3.811
291 HG22 VAL 40 HG22 VAL 40 -12.590 7.553 -4.033
292 HG23 VAL 40 HG23 VAL 40 -13.150 6.250 -5.082
293 H LYS 41 HN LYS 41 -13.572 5.744 0.059
294 HA LYS 41 HA LYS 41 -16.160 4.911 0.681
295 HB2 LYS 41 HB2 LYS 41 -14.012 3.910 1.526
296 HB3 LYS 41 HB1 LYS 41 -13.901 5.252 2.656
297 HG2 LYS 41 HG2 LYS 41 -16.433 3.732 2.661
298 HG3 LYS 41 HG1 LYS 41 -15.002 2.901 3.276
299 HD2 LYS 41 HD2 LYS 41 -15.351 5.657 4.239
300 HD3 LYS 41 HD1 LYS 41 -16.598 4.522 4.759
301 HE2 LYS 41 HE2 LYS 41 -15.174 3.971 6.391
302 HE3 LYS 41 HE1 LYS 41 -14.296 3.087 5.144
303 HZ1 LYS 41 HZ1 LYS 41 -12.936 5.061 4.772
304 HZ2 LYS 41 HZ2 LYS 41 -12.818 4.530 6.373
305 HZ3 LYS 41 HZ3 LYS 41 -13.764 5.881 5.999
306 H ASP 42 HN ASP 42 -14.446 7.830 1.521
307 HA ASP 42 HA ASP 42 -16.382 8.626 3.515
308 HB2 ASP 42 HB2 ASP 42 -13.737 9.308 2.973
309 HB3 ASP 42 HB1 ASP 42 -14.648 10.753 2.546
310 H VAL 43 HN VAL 43 -15.692 9.271 0.142
311 HA VAL 43 HA VAL 43 -17.561 11.450 -0.060
312 HB VAL 43 HB VAL 43 -16.321 9.854 -2.304
313 HG11 VAL 43 HG11 VAL 43 -16.700 11.955 -3.584
314 HG12 VAL 43 HG12 VAL 43 -17.598 12.582 -2.201
315 HG13 VAL 43 HG13 VAL 43 -18.185 11.159 -3.061
316 HG21 VAL 43 HG21 VAL 43 -15.200 12.487 -1.651
317 HG22 VAL 43 HG22 VAL 43 -14.391 10.991 -2.117
318 HG23 VAL 43 HG23 VAL 43 -14.900 11.235 -0.446
319 H LEU 44 HN LEU 44 -17.586 7.996 -0.592
320 HA LEU 44 HA LEU 44 -19.899 7.777 -2.145
321 HB2 LEU 44 HB2 LEU 44 -18.084 6.026 -1.093
322 HB3 LEU 44 HB1 LEU 44 -19.512 5.660 -0.145
323 HG LEU 44 HG LEU 44 -19.473 5.676 -3.161
324 HD11 LEU 44 HD11 LEU 44 -19.287 3.300 -3.104
325 HD12 LEU 44 HD12 LEU 44 -19.356 3.280 -1.342
326 HD13 LEU 44 HD13 LEU 44 -17.953 3.966 -2.162
327 HD21 LEU 44 HD21 LEU 44 -21.454 4.527 -1.200
328 HD22 LEU 44 HD22 LEU 44 -21.577 4.498 -2.959
329 HD23 LEU 44 HD23 LEU 44 -21.665 6.032 -2.094
330 H ASP 45 HN ASP 45 -19.468 8.317 1.270
331 HA ASP 45 HA ASP 45 -22.094 7.634 2.092
332 HB2 ASP 45 HB2 ASP 45 -20.136 7.833 3.627
333 HB3 ASP 45 HB1 ASP 45 -20.186 9.580 3.405
334 H SER 46 HN SER 46 -20.661 10.512 0.737
335 HA SER 46 HA SER 46 -22.934 12.183 1.354
336 HB2 SER 46 HB2 SER 46 -21.742 13.920 0.121
337 HB3 SER 46 HB1 SER 46 -20.641 13.118 1.241
338 HG SER 46 HG SER 46 -19.760 11.986 -0.465
339 H VAL 47 HN VAL 47 -21.763 10.286 -1.336
340 HA VAL 47 HA VAL 47 -23.402 11.385 -3.353
341 HB VAL 47 HB VAL 47 -22.415 8.535 -3.221
342 HG11 VAL 47 HG11 VAL 47 -22.271 9.253 -5.808
343 HG12 VAL 47 HG12 VAL 47 -23.640 10.239 -5.294
344 HG13 VAL 47 HG13 VAL 47 -23.686 8.488 -5.087
345 HG21 VAL 47 HG21 VAL 47 -20.617 9.814 -4.789
346 HG22 VAL 47 HG22 VAL 47 -20.380 9.488 -3.072
347 HG23 VAL 47 HG23 VAL 47 -20.966 11.067 -3.597
348 H LEU 48 HN LEU 48 -23.957 8.954 -0.897
349 HA LEU 48 HA LEU 48 -26.563 8.282 -2.031
350 HB2 LEU 48 HB2 LEU 48 -24.725 6.724 -0.815
351 HB3 LEU 48 HB1 LEU 48 -25.726 7.137 0.564
352 HG LEU 48 HG LEU 48 -27.708 6.348 -0.878
353 HD11 LEU 48 HD11 LEU 48 -25.573 4.795 -2.306
354 HD12 LEU 48 HD12 LEU 48 -26.232 6.296 -2.956
355 HD13 LEU 48 HD13 LEU 48 -27.292 4.913 -2.682
356 HD21 LEU 48 HD21 LEU 48 -25.636 4.396 0.119
357 HD22 LEU 48 HD22 LEU 48 -27.323 4.009 -0.222
358 HD23 LEU 48 HD23 LEU 48 -26.921 5.140 1.071
Start of MODEL 10
1 H1 SER 1 HT1 SER 1 1.635 -21.338 -5.494
2 H2 SER 1 HT2 SER 1 0.807 -20.562 -4.207
3 H3 SER 1 HT3 SER 1 0.015 -21.768 -5.136
4 HA SER 1 HA SER 1 0.577 -22.816 -3.196
5 HB2 SER 1 HB2 SER 1 2.702 -23.326 -5.294
6 HB3 SER 1 HB1 SER 1 2.351 -24.409 -3.947
7 HG SER 1 HG SER 1 0.249 -24.657 -4.778
8 H SER 2 HN SER 2 3.469 -21.177 -4.471
9 HA SER 2 HA SER 2 4.448 -20.947 -1.700
10 HB2 SER 2 HB2 SER 2 5.892 -21.488 -4.270
11 HB3 SER 2 HB1 SER 2 6.733 -20.652 -2.964
12 HG SER 2 HG SER 2 6.238 -22.430 -1.615
13 H LEU 3 HN LEU 3 2.661 -19.086 -2.681
14 HA LEU 3 HA LEU 3 3.974 -16.824 -3.820
15 HB2 LEU 3 HB2 LEU 3 1.576 -17.202 -4.097
16 HB3 LEU 3 HB1 LEU 3 1.336 -17.037 -2.368
17 HG LEU 3 HG LEU 3 2.624 -14.739 -3.709
18 HD11 LEU 3 HD11 LEU 3 1.076 -15.041 -5.418
19 HD12 LEU 3 HD12 LEU 3 0.260 -13.929 -4.318
20 HD13 LEU 3 HD13 LEU 3 -0.166 -15.640 -4.319
21 HD21 LEU 3 HD21 LEU 3 2.199 -14.302 -1.500
22 HD22 LEU 3 HD22 LEU 3 0.722 -15.265 -1.479
23 HD23 LEU 3 HD23 LEU 3 0.726 -13.673 -2.239
24 H LEU 4 HN LEU 4 3.280 -17.906 -0.563
25 HA LEU 4 HA LEU 4 3.926 -15.439 0.714
26 HB2 LEU 4 HB2 LEU 4 3.963 -16.785 2.784
27 HB3 LEU 4 HB1 LEU 4 2.501 -17.007 1.842
28 HG LEU 4 HG LEU 4 3.990 -19.063 0.900
29 HD11 LEU 4 HD11 LEU 4 5.265 -20.088 2.581
30 HD12 LEU 4 HD12 LEU 4 4.661 -18.993 3.825
31 HD13 LEU 4 HD13 LEU 4 5.771 -18.398 2.590
32 HD21 LEU 4 HD21 LEU 4 1.890 -19.665 1.528
33 HD22 LEU 4 HD22 LEU 4 1.966 -18.769 3.046
34 HD23 LEU 4 HD23 LEU 4 2.780 -20.327 2.900
35 H GLU 5 HN GLU 5 5.777 -18.089 -0.503
36 HA GLU 5 HA GLU 5 8.108 -17.592 1.095
37 HB2 GLU 5 HB2 GLU 5 7.230 -19.586 -0.764
38 HB3 GLU 5 HB1 GLU 5 8.802 -18.991 -1.279
39 HG2 GLU 5 HG2 GLU 5 9.838 -20.109 0.325
40 HG3 GLU 5 HG1 GLU 5 8.762 -19.461 1.562
41 H LYS 6 HN LYS 6 6.854 -16.567 -1.991
42 HA LYS 6 HA LYS 6 9.343 -15.176 -2.611
43 HB2 LYS 6 HB2 LYS 6 6.874 -15.282 -4.334
44 HB3 LYS 6 HB1 LYS 6 8.519 -14.900 -4.824
45 HG2 LYS 6 HG2 LYS 6 7.796 -17.592 -3.722
46 HG3 LYS 6 HG1 LYS 6 7.593 -17.198 -5.430
47 HD2 LYS 6 HD2 LYS 6 9.714 -17.922 -5.618
48 HD3 LYS 6 HD1 LYS 6 10.129 -16.329 -4.982
49 HE2 LYS 6 HE2 LYS 6 9.669 -17.690 -2.687
50 HE3 LYS 6 HE1 LYS 6 10.291 -18.981 -3.715
51 HZ1 LYS 6 HZ1 LYS 6 12.332 -18.026 -3.840
52 HZ2 LYS 6 HZ2 LYS 6 11.878 -17.437 -2.321
53 HZ3 LYS 6 HZ3 LYS 6 11.747 -16.445 -3.685
54 H GLY 7 HN GLY 7 6.055 -14.608 -1.626
55 HA2 GLY 7 HA2 GLY 7 6.024 -11.809 -2.214
56 HA3 GLY 7 HA1 GLY 7 4.879 -12.673 -1.199
57 H LEU 8 HN LEU 8 6.568 -13.688 0.754
58 HA LEU 8 HA LEU 8 6.962 -11.358 2.365
59 HB2 LEU 8 HB2 LEU 8 6.450 -14.009 2.878
60 HB3 LEU 8 HB1 LEU 8 8.137 -13.866 3.332
61 HG LEU 8 HG LEU 8 7.226 -11.742 4.646
62 HD11 LEU 8 HD11 LEU 8 4.833 -13.353 4.003
63 HD12 LEU 8 HD12 LEU 8 4.991 -11.624 4.312
64 HD13 LEU 8 HD13 LEU 8 4.978 -12.763 5.659
65 HD21 LEU 8 HD21 LEU 8 8.234 -14.102 5.358
66 HD22 LEU 8 HD22 LEU 8 6.594 -14.315 5.971
67 HD23 LEU 8 HD23 LEU 8 7.576 -12.960 6.530
68 H ASP 9 HN ASP 9 9.010 -13.696 0.731
69 HA ASP 9 HA ASP 9 11.458 -12.678 1.728
70 HB2 ASP 9 HB2 ASP 9 11.032 -14.988 0.723
71 HB3 ASP 9 HB1 ASP 9 11.132 -14.203 -0.850
72 H GLY 10 HN GLY 10 9.475 -11.990 -1.070
73 HA2 GLY 10 HA2 GLY 10 11.420 -10.368 -2.405
74 HA3 GLY 10 HA1 GLY 10 9.710 -10.486 -2.797
75 H ALA 11 HN ALA 11 8.858 -9.826 -0.094
76 HA ALA 11 HA ALA 11 8.807 -7.007 -0.403
77 HB1 ALA 11 HB1 ALA 11 6.871 -8.164 0.455
78 HB2 ALA 11 HB2 ALA 11 7.459 -7.017 1.659
79 HB3 ALA 11 HB3 ALA 11 7.798 -8.738 1.841
80 H LYS 12 HN LYS 12 10.001 -9.042 2.244
81 HA LYS 12 HA LYS 12 11.177 -7.098 3.794
82 HB2 LYS 12 HB2 LYS 12 11.619 -10.007 3.418
83 HB3 LYS 12 HB1 LYS 12 12.868 -9.116 4.277
84 HG2 LYS 12 HG2 LYS 12 10.282 -8.382 5.276
85 HG3 LYS 12 HG1 LYS 12 10.470 -10.136 5.302
86 HD2 LYS 12 HD2 LYS 12 12.686 -9.777 6.436
87 HD3 LYS 12 HD1 LYS 12 12.253 -8.072 6.585
88 HE2 LYS 12 HE2 LYS 12 11.713 -9.212 8.638
89 HE3 LYS 12 HE1 LYS 12 10.221 -8.737 7.826
90 HZ1 LYS 12 HZ1 LYS 12 9.942 -10.977 7.037
91 HZ2 LYS 12 HZ2 LYS 12 10.144 -11.008 8.716
92 HZ3 LYS 12 HZ3 LYS 12 11.424 -11.450 7.702
93 H LYS 13 HN LYS 13 12.270 -8.234 0.717
94 HA LYS 13 HA LYS 13 14.928 -7.090 1.174
95 HB2 LYS 13 HB2 LYS 13 15.582 -8.234 -0.886
96 HB3 LYS 13 HB1 LYS 13 14.858 -9.356 0.260
97 HG2 LYS 13 HG2 LYS 13 13.630 -10.026 -1.484
98 HG3 LYS 13 HG1 LYS 13 12.687 -8.564 -1.170
99 HD2 LYS 13 HD2 LYS 13 13.242 -7.748 -3.156
100 HD3 LYS 13 HD1 LYS 13 14.954 -7.859 -2.747
101 HE2 LYS 13 HE2 LYS 13 15.077 -9.331 -4.430
102 HE3 LYS 13 HE1 LYS 13 14.324 -10.463 -3.307
103 HZ1 LYS 13 HZ1 LYS 13 12.872 -8.745 -5.248
104 HZ2 LYS 13 HZ2 LYS 13 12.165 -9.860 -4.191
105 HZ3 LYS 13 HZ3 LYS 13 13.174 -10.399 -5.437
106 H ALA 14 HN ALA 14 12.487 -7.079 -1.452
107 HA ALA 14 HA ALA 14 13.621 -4.770 -2.674
108 HB1 ALA 14 HB1 ALA 14 11.022 -5.069 -3.651
109 HB2 ALA 14 HB2 ALA 14 11.581 -6.706 -3.311
110 HB3 ALA 14 HB3 ALA 14 12.512 -5.663 -4.384
111 H VAL 15 HN VAL 15 10.882 -5.448 -0.583
112 HA VAL 15 HA VAL 15 10.060 -2.714 -0.647
113 HB VAL 15 HB VAL 15 9.008 -4.890 1.142
114 HG11 VAL 15 HG11 VAL 15 8.114 -3.063 2.129
115 HG12 VAL 15 HG12 VAL 15 6.950 -3.209 0.812
116 HG13 VAL 15 HG13 VAL 15 8.286 -2.064 0.686
117 HG21 VAL 15 HG21 VAL 15 7.698 -3.924 -1.378
118 HG22 VAL 15 HG22 VAL 15 7.378 -5.394 -0.457
119 HG23 VAL 15 HG23 VAL 15 8.864 -5.247 -1.396
120 H GLY 16 HN GLY 16 11.511 -4.903 1.709
121 HA2 GLY 16 HA2 GLY 16 11.605 -3.106 3.869
122 HA3 GLY 16 HA1 GLY 16 12.672 -4.487 3.649
123 H GLY 17 HN GLY 17 13.888 -3.716 1.243
124 HA2 GLY 17 HA2 GLY 17 15.817 -1.831 2.271
125 HA3 GLY 17 HA1 GLY 17 15.901 -2.681 0.736
126 H LEU 18 HN LEU 18 13.874 -1.930 -0.720
127 HA LEU 18 HA LEU 18 14.463 0.753 -1.418
128 HB2 LEU 18 HB2 LEU 18 13.586 -1.270 -2.847
129 HB3 LEU 18 HB1 LEU 18 12.012 -0.635 -2.407
130 HG LEU 18 HG LEU 18 14.045 1.201 -3.608
131 HD11 LEU 18 HD11 LEU 18 13.846 -0.929 -4.983
132 HD12 LEU 18 HD12 LEU 18 13.507 0.592 -5.809
133 HD13 LEU 18 HD13 LEU 18 12.178 -0.444 -5.288
134 HD21 LEU 18 HD21 LEU 18 12.294 2.584 -3.937
135 HD22 LEU 18 HD22 LEU 18 11.569 1.632 -2.642
136 HD23 LEU 18 HD23 LEU 18 11.187 1.267 -4.325
137 H GLY 19 HN GLY 19 11.705 -0.777 0.163
138 HA2 GLY 19 HA2 GLY 19 10.051 1.504 0.279
139 HA3 GLY 19 HA1 GLY 19 9.922 0.094 1.315
140 H LYS 20 HN LYS 20 12.896 0.815 2.001
141 HA LYS 20 HA LYS 20 12.187 2.366 4.337
142 HB2 LYS 20 HB2 LYS 20 14.512 0.706 3.526
143 HB3 LYS 20 HB1 LYS 20 14.790 1.974 4.713
144 HG2 LYS 20 HG2 LYS 20 12.550 0.030 5.075
145 HG3 LYS 20 HG1 LYS 20 14.202 -0.406 5.518
146 HD2 LYS 20 HD2 LYS 20 12.837 2.090 6.505
147 HD3 LYS 20 HD1 LYS 20 12.778 0.554 7.372
148 HE2 LYS 20 HE2 LYS 20 15.449 1.520 6.543
149 HE3 LYS 20 HE1 LYS 20 14.643 2.422 7.826
150 HZ1 LYS 20 HZ1 LYS 20 15.732 -0.271 7.856
151 HZ2 LYS 20 HZ2 LYS 20 14.265 -0.066 8.671
152 HZ3 LYS 20 HZ3 LYS 20 15.609 0.864 9.106
153 H LEU 21 HN LEU 21 14.738 2.562 1.908
154 HA LEU 21 HA LEU 21 15.194 5.354 2.496
155 HB2 LEU 21 HB2 LEU 21 16.303 3.712 0.215
156 HB3 LEU 21 HB1 LEU 21 16.898 5.266 0.766
157 HG LEU 21 HG LEU 21 16.896 2.957 2.664
158 HD11 LEU 21 HD11 LEU 21 18.920 2.093 1.865
159 HD12 LEU 21 HD12 LEU 21 19.179 3.461 0.783
160 HD13 LEU 21 HD13 LEU 21 17.917 2.281 0.426
161 HD21 LEU 21 HD21 LEU 21 17.640 4.750 3.828
162 HD22 LEU 21 HD22 LEU 21 18.197 5.597 2.384
163 HD23 LEU 21 HD23 LEU 21 19.172 4.301 3.078
164 H GLY 22 HN GLY 22 13.122 3.523 0.720
165 HA2 GLY 22 HA2 GLY 22 12.426 5.728 -1.097
166 HA3 GLY 22 HA1 GLY 22 12.101 4.024 -1.410
167 H LYS 23 HN LYS 23 11.680 4.772 1.828
168 HA LYS 23 HA LYS 23 8.999 4.107 1.917
169 HB2 LYS 23 HB2 LYS 23 10.828 4.363 3.799
170 HB3 LYS 23 HB1 LYS 23 10.137 5.972 3.961
171 HG2 LYS 23 HG2 LYS 23 8.186 5.201 4.826
172 HG3 LYS 23 HG1 LYS 23 8.256 3.685 3.926
173 HD2 LYS 23 HD2 LYS 23 8.873 2.744 5.858
174 HD3 LYS 23 HD1 LYS 23 10.438 3.518 5.599
175 HE2 LYS 23 HE2 LYS 23 9.885 4.199 7.744
176 HE3 LYS 23 HE1 LYS 23 9.350 5.559 6.757
177 HZ1 LYS 23 HZ1 LYS 23 7.098 4.650 6.821
178 HZ2 LYS 23 HZ2 LYS 23 7.677 4.979 8.376
179 HZ3 LYS 23 HZ3 LYS 23 7.625 3.384 7.814
180 H ASP 24 HN ASP 24 10.600 7.178 1.471
181 HA ASP 24 HA ASP 24 8.495 8.930 1.962
182 HB2 ASP 24 HB2 ASP 24 11.079 9.236 1.213
183 HB3 ASP 24 HB1 ASP 24 10.267 9.623 -0.301
184 H ALA 25 HN ALA 25 9.160 6.906 -0.799
185 HA ALA 25 HA ALA 25 7.232 8.183 -2.518
186 HB1 ALA 25 HB1 ALA 25 9.104 7.102 -3.560
187 HB2 ALA 25 HB2 ALA 25 7.646 6.209 -3.990
188 HB3 ALA 25 HB3 ALA 25 8.734 5.577 -2.755
189 H VAL 26 HN VAL 26 7.454 5.249 -0.612
190 HA VAL 26 HA VAL 26 5.074 3.992 -1.182
191 HB VAL 26 HB VAL 26 6.605 4.230 1.388
192 HG11 VAL 26 HG11 VAL 26 5.354 2.057 1.971
193 HG12 VAL 26 HG12 VAL 26 4.185 2.569 0.754
194 HG13 VAL 26 HG13 VAL 26 4.492 3.583 2.164
195 HG21 VAL 26 HG21 VAL 26 7.380 3.040 -0.874
196 HG22 VAL 26 HG22 VAL 26 6.475 1.709 -0.151
197 HG23 VAL 26 HG23 VAL 26 7.822 2.438 0.724
198 H GLU 27 HN GLU 27 5.669 6.810 0.805
199 HA GLU 27 HA GLU 27 3.138 6.882 2.101
200 HB2 GLU 27 HB2 GLU 27 5.284 8.926 1.591
201 HB3 GLU 27 HB1 GLU 27 3.793 9.332 2.427
202 HG2 GLU 27 HG2 GLU 27 4.555 7.188 3.857
203 HG3 GLU 27 HG1 GLU 27 6.130 7.800 3.353
204 H ASP 28 HN ASP 28 4.602 8.560 -0.624
205 HA ASP 28 HA ASP 28 2.196 9.853 -1.396
206 HB2 ASP 28 HB2 ASP 28 4.949 9.623 -2.474
207 HB3 ASP 28 HB1 ASP 28 3.682 9.962 -3.649
208 H LEU 29 HN LEU 29 3.233 6.691 -1.546
209 HA LEU 29 HA LEU 29 1.641 6.101 -3.943
210 HB2 LEU 29 HB2 LEU 29 3.642 4.442 -2.413
211 HB3 LEU 29 HB1 LEU 29 2.660 3.815 -3.723
212 HG LEU 29 HG LEU 29 4.502 6.160 -4.110
213 HD11 LEU 29 HD11 LEU 29 6.304 4.833 -4.518
214 HD12 LEU 29 HD12 LEU 29 5.320 3.441 -4.968
215 HD13 LEU 29 HD13 LEU 29 5.523 3.865 -3.268
216 HD21 LEU 29 HD21 LEU 29 2.545 5.244 -5.702
217 HD22 LEU 29 HD22 LEU 29 3.876 4.222 -6.245
218 HD23 LEU 29 HD23 LEU 29 4.029 5.978 -6.312
219 H GLU 30 HN GLU 30 1.488 6.199 -0.600
220 HA GLU 30 HA GLU 30 -0.255 3.952 -0.252
221 HB2 GLU 30 HB2 GLU 30 1.366 5.420 1.435
222 HB3 GLU 30 HB1 GLU 30 -0.253 5.915 1.906
223 HG2 GLU 30 HG2 GLU 30 -0.120 4.126 3.248
224 HG3 GLU 30 HG1 GLU 30 -0.601 3.255 1.792
225 H SER 31 HN SER 31 -0.563 7.350 -0.884
226 HA SER 31 HA SER 31 -3.407 7.293 -0.276
227 HB2 SER 31 HB2 SER 31 -1.509 9.280 0.019
228 HB3 SER 31 HB1 SER 31 -2.393 9.782 -1.422
229 HG SER 31 HG SER 31 -4.333 9.340 -0.056
230 H VAL 32 HN VAL 32 -1.444 6.683 -2.880
231 HA VAL 32 HA VAL 32 -3.005 7.764 -4.965
232 HB VAL 32 HB VAL 32 -1.257 5.308 -5.163
233 HG11 VAL 32 HG11 VAL 32 -1.352 5.562 -7.410
234 HG12 VAL 32 HG12 VAL 32 -1.396 7.323 -7.315
235 HG13 VAL 32 HG13 VAL 32 -2.865 6.388 -7.039
236 HG21 VAL 32 HG21 VAL 32 -0.418 8.196 -5.373
237 HG22 VAL 32 HG22 VAL 32 0.604 6.789 -5.671
238 HG23 VAL 32 HG23 VAL 32 -0.019 7.100 -4.052
239 H GLY 33 HN GLY 33 -2.796 4.640 -5.812
240 HA2 GLY 33 HA2 GLY 33 -5.509 4.168 -6.068
241 HA3 GLY 33 HA1 GLY 33 -4.284 2.908 -6.060
242 H LYS 34 HN LYS 34 -3.467 3.730 -3.293
243 HA LYS 34 HA LYS 34 -5.236 1.967 -1.895
244 HB2 LYS 34 HB2 LYS 34 -2.714 3.405 -1.305
245 HB3 LYS 34 HB1 LYS 34 -3.727 3.019 0.079
246 HG2 LYS 34 HG2 LYS 34 -2.173 1.252 -0.176
247 HG3 LYS 34 HG1 LYS 34 -3.742 0.643 -0.706
248 HD2 LYS 34 HD2 LYS 34 -2.404 1.808 -2.943
249 HD3 LYS 34 HD1 LYS 34 -1.298 0.692 -2.138
250 HE2 LYS 34 HE2 LYS 34 -4.114 0.021 -2.985
251 HE3 LYS 34 HE1 LYS 34 -2.664 -0.381 -3.904
252 HZ1 LYS 34 HZ1 LYS 34 -2.047 -1.973 -2.414
253 HZ2 LYS 34 HZ2 LYS 34 -3.727 -2.085 -2.254
254 HZ3 LYS 34 HZ3 LYS 34 -2.824 -1.234 -1.105
255 H GLY 35 HN GLY 35 -4.812 5.432 -2.135
256 HA2 GLY 35 HA2 GLY 35 -6.754 5.890 0.007
257 HA3 GLY 35 HA1 GLY 35 -5.777 7.117 -0.782
258 H ALA 36 HN ALA 36 -6.903 5.308 -3.253
259 HA ALA 36 HA ALA 36 -8.825 7.273 -4.030
260 HB1 ALA 36 HB1 ALA 36 -8.660 6.381 -6.099
261 HB2 ALA 36 HB2 ALA 36 -8.733 4.721 -5.507
262 HB3 ALA 36 HB3 ALA 36 -7.219 5.622 -5.422
263 H VAL 37 HN VAL 37 -8.924 4.172 -2.491
264 HA VAL 37 HA VAL 37 -11.648 3.581 -3.016
265 HB VAL 37 HB VAL 37 -10.007 2.582 -0.691
266 HG11 VAL 37 HG11 VAL 37 -12.510 1.640 -2.052
267 HG12 VAL 37 HG12 VAL 37 -12.234 1.962 -0.340
268 HG13 VAL 37 HG13 VAL 37 -11.506 0.547 -1.100
269 HG21 VAL 37 HG21 VAL 37 -8.629 1.835 -2.321
270 HG22 VAL 37 HG22 VAL 37 -9.863 1.965 -3.574
271 HG23 VAL 37 HG23 VAL 37 -9.859 0.581 -2.481
272 H HIS 38 HN HIS 38 -10.019 4.611 -0.039
273 HA HIS 38 HA HIS 38 -12.378 5.199 1.381
274 HB2 HIS 38 HB2 HIS 38 -9.500 6.008 1.721
275 HB3 HIS 38 HB1 HIS 38 -10.751 6.649 2.781
276 HD1 HIS 38 HD1 HIS 38 -10.411 5.444 4.924
277 HD2 HIS 38 HD2 HIS 38 -10.281 2.881 1.657
278 HE1 HIS 38 HE1 HIS 38 -10.240 3.130 5.892
279 HE2 HIS 38 HE2 HIS 38 -10.251 1.590 3.898
280 H ASP 39 HN ASP 39 -10.648 6.917 -1.050
281 HA ASP 39 HA ASP 39 -11.353 9.560 -0.435
282 HB2 ASP 39 HB2 ASP 39 -10.146 8.161 -2.625
283 HB3 ASP 39 HB1 ASP 39 -11.357 9.270 -3.261
284 H VAL 40 HN VAL 40 -13.133 6.986 -2.006
285 HA VAL 40 HA VAL 40 -15.269 8.676 -2.914
286 HB VAL 40 HB VAL 40 -15.301 5.674 -2.580
287 HG11 VAL 40 HG11 VAL 40 -17.027 5.770 -4.333
288 HG12 VAL 40 HG12 VAL 40 -16.955 7.532 -4.287
289 HG13 VAL 40 HG13 VAL 40 -17.507 6.634 -2.873
290 HG21 VAL 40 HG21 VAL 40 -14.131 5.399 -4.478
291 HG22 VAL 40 HG22 VAL 40 -13.532 7.023 -4.143
292 HG23 VAL 40 HG23 VAL 40 -14.877 6.792 -5.260
293 H LYS 41 HN LYS 41 -14.583 6.780 -0.060
294 HA LYS 41 HA LYS 41 -17.186 6.657 1.004
295 HB2 LYS 41 HB2 LYS 41 -14.869 5.543 1.721
296 HB3 LYS 41 HB1 LYS 41 -14.866 6.889 2.853
297 HG2 LYS 41 HG2 LYS 41 -17.309 5.205 2.627
298 HG3 LYS 41 HG1 LYS 41 -15.910 4.583 3.505
299 HD2 LYS 41 HD2 LYS 41 -16.015 6.262 5.111
300 HD3 LYS 41 HD1 LYS 41 -16.969 7.326 4.075
301 HE2 LYS 41 HE2 LYS 41 -18.929 6.321 4.615
302 HE3 LYS 41 HE1 LYS 41 -18.189 4.730 4.788
303 HZ1 LYS 41 HZ1 LYS 41 -17.103 5.893 6.861
304 HZ2 LYS 41 HZ2 LYS 41 -18.641 5.196 6.951
305 HZ3 LYS 41 HZ3 LYS 41 -18.482 6.869 6.761
306 H ASP 42 HN ASP 42 -14.731 9.146 1.053
307 HA ASP 42 HA ASP 42 -15.994 10.733 3.073
308 HB2 ASP 42 HB2 ASP 42 -13.633 10.966 1.316
309 HB3 ASP 42 HB1 ASP 42 -14.386 12.493 1.764
310 H VAL 43 HN VAL 43 -16.000 10.664 -0.443
311 HA VAL 43 HA VAL 43 -17.576 13.060 -0.687
312 HB VAL 43 HB VAL 43 -17.055 10.962 -2.797
313 HG11 VAL 43 HG11 VAL 43 -18.894 12.763 -3.052
314 HG12 VAL 43 HG12 VAL 43 -17.755 12.513 -4.375
315 HG13 VAL 43 HG13 VAL 43 -17.544 13.876 -3.276
316 HG21 VAL 43 HG21 VAL 43 -14.998 11.780 -3.182
317 HG22 VAL 43 HG22 VAL 43 -15.104 12.362 -1.521
318 HG23 VAL 43 HG23 VAL 43 -15.489 13.443 -2.860
319 H LEU 44 HN LEU 44 -18.132 9.610 -0.590
320 HA LEU 44 HA LEU 44 -20.815 9.677 -1.513
321 HB2 LEU 44 HB2 LEU 44 -19.267 7.671 -1.437
322 HB3 LEU 44 HB1 LEU 44 -19.596 7.590 0.283
323 HG LEU 44 HG LEU 44 -21.960 7.635 -1.502
324 HD11 LEU 44 HD11 LEU 44 -21.798 5.312 -2.078
325 HD12 LEU 44 HD12 LEU 44 -20.268 5.158 -1.214
326 HD13 LEU 44 HD13 LEU 44 -20.360 6.142 -2.674
327 HD21 LEU 44 HD21 LEU 44 -21.149 6.567 1.135
328 HD22 LEU 44 HD22 LEU 44 -22.353 5.646 0.235
329 HD23 LEU 44 HD23 LEU 44 -22.654 7.337 0.635
330 H ASP 45 HN ASP 45 -19.300 10.118 1.593
331 HA ASP 45 HA ASP 45 -21.610 9.755 3.195
332 HB2 ASP 45 HB2 ASP 45 -19.098 9.835 3.877
333 HB3 ASP 45 HB1 ASP 45 -19.351 11.575 3.973
334 H SER 46 HN SER 46 -20.434 12.392 1.278
335 HA SER 46 HA SER 46 -22.101 14.368 2.572
336 HB2 SER 46 HB2 SER 46 -20.647 14.662 -0.060
337 HB3 SER 46 HB1 SER 46 -21.168 15.940 1.038
338 HG SER 46 HG SER 46 -19.677 14.905 2.589
339 H VAL 47 HN VAL 47 -22.227 12.275 -0.218
340 HA VAL 47 HA VAL 47 -24.483 13.598 -1.414
341 HB VAL 47 HB VAL 47 -23.468 10.816 -1.997
342 HG11 VAL 47 HG11 VAL 47 -24.794 10.807 -3.837
343 HG12 VAL 47 HG12 VAL 47 -24.680 12.552 -4.065
344 HG13 VAL 47 HG13 VAL 47 -25.762 11.891 -2.839
345 HG21 VAL 47 HG21 VAL 47 -22.325 13.446 -2.606
346 HG22 VAL 47 HG22 VAL 47 -22.501 12.385 -4.003
347 HG23 VAL 47 HG23 VAL 47 -21.570 11.853 -2.603
348 H LEU 48 HN LEU 48 -23.962 10.923 0.780
349 HA LEU 48 HA LEU 48 -26.847 10.803 1.247
350 HB2 LEU 48 HB2 LEU 48 -25.375 8.793 -0.117
351 HB3 LEU 48 HB1 LEU 48 -25.800 8.151 1.458
352 HG LEU 48 HG LEU 48 -28.194 9.102 0.787
353 HD11 LEU 48 HD11 LEU 48 -27.406 8.149 -1.899
354 HD12 LEU 48 HD12 LEU 48 -26.937 9.792 -1.463
355 HD13 LEU 48 HD13 LEU 48 -28.636 9.321 -1.422
356 HD21 LEU 48 HD21 LEU 48 -28.390 6.742 -0.461
357 HD22 LEU 48 HD22 LEU 48 -28.262 6.897 1.292
358 HD23 LEU 48 HD23 LEU 48 -26.831 6.520 0.333
Start of MODEL 11
1 H1 SER 1 HT1 SER 1 -2.293 -22.580 -1.842
2 H2 SER 1 HT2 SER 1 -3.668 -22.437 -0.824
3 H3 SER 1 HT3 SER 1 -2.093 -22.475 -0.143
4 HA SER 1 HA SER 1 -2.957 -20.402 -2.028
5 HB2 SER 1 HB2 SER 1 -3.178 -20.474 0.993
6 HB3 SER 1 HB1 SER 1 -3.371 -19.017 0.018
7 HG SER 1 HG SER 1 -5.324 -20.331 0.640
8 H SER 2 HN SER 2 -1.204 -19.372 -2.710
9 HA SER 2 HA SER 2 1.181 -19.348 -0.979
10 HB2 SER 2 HB2 SER 2 1.510 -18.804 -3.873
11 HB3 SER 2 HB1 SER 2 2.527 -19.740 -2.777
12 HG SER 2 HG SER 2 0.774 -21.342 -2.853
13 H LEU 3 HN LEU 3 -0.942 -17.442 -0.788
14 HA LEU 3 HA LEU 3 -0.358 -15.059 -2.191
15 HB2 LEU 3 HB2 LEU 3 -2.472 -15.741 -0.855
16 HB3 LEU 3 HB1 LEU 3 -1.609 -15.109 0.535
17 HG LEU 3 HG LEU 3 -1.884 -13.375 -1.878
18 HD11 LEU 3 HD11 LEU 3 -4.062 -13.777 0.167
19 HD12 LEU 3 HD12 LEU 3 -4.131 -14.285 -1.521
20 HD13 LEU 3 HD13 LEU 3 -4.045 -12.570 -1.119
21 HD21 LEU 3 HD21 LEU 3 -1.799 -12.909 1.099
22 HD22 LEU 3 HD22 LEU 3 -2.027 -11.639 -0.104
23 HD23 LEU 3 HD23 LEU 3 -0.526 -12.565 -0.073
24 H LEU 4 HN LEU 4 0.790 -16.403 0.844
25 HA LEU 4 HA LEU 4 2.108 -14.063 1.760
26 HB2 LEU 4 HB2 LEU 4 1.933 -16.882 2.541
27 HB3 LEU 4 HB1 LEU 4 3.481 -16.145 2.909
28 HG LEU 4 HG LEU 4 1.051 -14.642 3.717
29 HD11 LEU 4 HD11 LEU 4 0.900 -15.957 5.807
30 HD12 LEU 4 HD12 LEU 4 1.991 -17.149 5.100
31 HD13 LEU 4 HD13 LEU 4 0.408 -16.865 4.377
32 HD21 LEU 4 HD21 LEU 4 3.414 -13.875 4.065
33 HD22 LEU 4 HD22 LEU 4 3.614 -15.222 5.187
34 HD23 LEU 4 HD23 LEU 4 2.433 -13.957 5.529
35 H GLU 5 HN GLU 5 2.977 -16.601 -0.454
36 HA GLU 5 HA GLU 5 5.790 -16.031 -0.437
37 HB2 GLU 5 HB2 GLU 5 3.986 -17.750 -2.112
38 HB3 GLU 5 HB1 GLU 5 5.637 -17.436 -2.629
39 HG2 GLU 5 HG2 GLU 5 6.520 -18.448 -0.654
40 HG3 GLU 5 HG1 GLU 5 4.910 -18.593 0.050
41 H LYS 6 HN LYS 6 2.984 -14.962 -2.192
42 HA LYS 6 HA LYS 6 4.608 -13.553 -4.148
43 HB2 LYS 6 HB2 LYS 6 1.999 -14.663 -4.146
44 HB3 LYS 6 HB1 LYS 6 1.824 -12.930 -4.381
45 HG2 LYS 6 HG2 LYS 6 1.970 -14.057 -6.511
46 HG3 LYS 6 HG1 LYS 6 3.388 -13.036 -6.266
47 HD2 LYS 6 HD2 LYS 6 4.261 -15.376 -5.219
48 HD3 LYS 6 HD1 LYS 6 3.173 -15.964 -6.479
49 HE2 LYS 6 HE2 LYS 6 4.437 -14.157 -7.926
50 HE3 LYS 6 HE1 LYS 6 5.695 -14.399 -6.714
51 HZ1 LYS 6 HZ1 LYS 6 5.091 -16.918 -7.300
52 HZ2 LYS 6 HZ2 LYS 6 6.292 -16.043 -8.108
53 HZ3 LYS 6 HZ3 LYS 6 4.753 -16.195 -8.792
54 H GLY 7 HN GLY 7 2.668 -12.947 -1.314
55 HA2 GLY 7 HA2 GLY 7 2.620 -10.081 -1.705
56 HA3 GLY 7 HA1 GLY 7 2.018 -10.956 -0.306
57 H LEU 8 HN LEU 8 4.385 -12.366 0.344
58 HA LEU 8 HA LEU 8 5.766 -10.324 1.789
59 HB2 LEU 8 HB2 LEU 8 5.289 -12.800 2.444
60 HB3 LEU 8 HB1 LEU 8 6.744 -13.146 1.530
61 HG LEU 8 HG LEU 8 7.191 -12.954 3.934
62 HD11 LEU 8 HD11 LEU 8 8.471 -10.537 2.773
63 HD12 LEU 8 HD12 LEU 8 8.742 -12.092 1.986
64 HD13 LEU 8 HD13 LEU 8 9.183 -11.872 3.680
65 HD21 LEU 8 HD21 LEU 8 6.808 -10.030 3.937
66 HD22 LEU 8 HD22 LEU 8 6.579 -11.208 5.228
67 HD23 LEU 8 HD23 LEU 8 5.341 -11.007 3.989
68 H ASP 9 HN ASP 9 6.329 -12.175 -1.110
69 HA ASP 9 HA ASP 9 9.087 -11.589 -1.360
70 HB2 ASP 9 HB2 ASP 9 8.003 -13.478 -2.525
71 HB3 ASP 9 HB1 ASP 9 7.104 -12.334 -3.517
72 H GLY 10 HN GLY 10 6.153 -10.046 -2.543
73 HA2 GLY 10 HA2 GLY 10 7.527 -8.110 -4.147
74 HA3 GLY 10 HA1 GLY 10 5.823 -8.087 -3.713
75 H ALA 11 HN ALA 11 6.353 -8.272 -0.864
76 HA ALA 11 HA ALA 11 6.607 -5.492 -0.344
77 HB1 ALA 11 HB1 ALA 11 5.266 -6.173 1.296
78 HB2 ALA 11 HB2 ALA 11 6.718 -6.750 2.114
79 HB3 ALA 11 HB3 ALA 11 5.776 -7.851 1.109
80 H LYS 12 HN LYS 12 8.488 -8.267 0.812
81 HA LYS 12 HA LYS 12 10.498 -6.888 2.105
82 HB2 LYS 12 HB2 LYS 12 10.242 -9.591 0.921
83 HB3 LYS 12 HB1 LYS 12 11.872 -9.041 1.286
84 HG2 LYS 12 HG2 LYS 12 9.674 -8.909 3.320
85 HG3 LYS 12 HG1 LYS 12 10.634 -10.370 3.074
86 HD2 LYS 12 HD2 LYS 12 12.412 -9.508 4.131
87 HD3 LYS 12 HD1 LYS 12 12.251 -7.951 3.317
88 HE2 LYS 12 HE2 LYS 12 11.268 -7.038 5.094
89 HE3 LYS 12 HE1 LYS 12 10.114 -8.365 5.217
90 HZ1 LYS 12 HZ1 LYS 12 11.332 -9.393 6.784
91 HZ2 LYS 12 HZ2 LYS 12 11.963 -7.847 7.055
92 HZ3 LYS 12 HZ3 LYS 12 12.817 -8.952 6.102
93 H LYS 13 HN LYS 13 10.017 -7.170 -1.308
94 HA LYS 13 HA LYS 13 12.784 -6.421 -1.866
95 HB2 LYS 13 HB2 LYS 13 12.199 -6.765 -4.218
96 HB3 LYS 13 HB1 LYS 13 11.775 -8.169 -3.245
97 HG2 LYS 13 HG2 LYS 13 9.805 -8.038 -4.295
98 HG3 LYS 13 HG1 LYS 13 9.473 -6.735 -3.148
99 HD2 LYS 13 HD2 LYS 13 9.324 -5.271 -4.809
100 HD3 LYS 13 HD1 LYS 13 10.956 -5.674 -5.345
101 HE2 LYS 13 HE2 LYS 13 10.200 -6.875 -7.074
102 HE3 LYS 13 HE1 LYS 13 8.996 -7.696 -6.083
103 HZ1 LYS 13 HZ1 LYS 13 8.728 -5.329 -7.745
104 HZ2 LYS 13 HZ2 LYS 13 7.908 -5.282 -6.267
105 HZ3 LYS 13 HZ3 LYS 13 7.591 -6.524 -7.369
106 H ALA 14 HN ALA 14 9.552 -5.238 -2.847
107 HA ALA 14 HA ALA 14 10.579 -2.732 -3.729
108 HB1 ALA 14 HB1 ALA 14 8.678 -3.144 -4.897
109 HB2 ALA 14 HB2 ALA 14 7.947 -2.263 -3.556
110 HB3 ALA 14 HB3 ALA 14 7.924 -4.026 -3.569
111 H VAL 15 HN VAL 15 8.832 -3.921 -0.924
112 HA VAL 15 HA VAL 15 8.822 -1.329 0.274
113 HB VAL 15 HB VAL 15 8.045 -3.868 1.667
114 HG11 VAL 15 HG11 VAL 15 7.088 -2.570 3.254
115 HG12 VAL 15 HG12 VAL 15 6.652 -1.301 2.109
116 HG13 VAL 15 HG13 VAL 15 8.307 -1.421 2.704
117 HG21 VAL 15 HG21 VAL 15 5.859 -3.736 0.811
118 HG22 VAL 15 HG22 VAL 15 6.907 -3.534 -0.592
119 HG23 VAL 15 HG23 VAL 15 6.132 -2.129 0.138
120 H GLY 16 HN GLY 16 10.336 -4.447 0.956
121 HA2 GLY 16 HA2 GLY 16 11.817 -3.499 3.201
122 HA3 GLY 16 HA1 GLY 16 12.082 -5.012 2.349
123 H GLY 17 HN GLY 17 12.647 -4.048 -0.205
124 HA2 GLY 17 HA2 GLY 17 15.377 -3.215 0.191
125 HA3 GLY 17 HA1 GLY 17 14.614 -3.597 -1.344
126 H LEU 18 HN LEU 18 12.701 -1.867 -1.750
127 HA LEU 18 HA LEU 18 14.117 0.644 -1.991
128 HB2 LEU 18 HB2 LEU 18 12.453 -0.669 -3.659
129 HB3 LEU 18 HB1 LEU 18 11.321 0.445 -2.917
130 HG LEU 18 HG LEU 18 13.081 2.261 -3.541
131 HD11 LEU 18 HD11 LEU 18 13.998 -0.126 -5.058
132 HD12 LEU 18 HD12 LEU 18 14.932 1.181 -4.331
133 HD13 LEU 18 HD13 LEU 18 14.066 1.451 -5.844
134 HD21 LEU 18 HD21 LEU 18 10.771 1.885 -4.498
135 HD22 LEU 18 HD22 LEU 18 11.554 0.978 -5.792
136 HD23 LEU 18 HD23 LEU 18 11.930 2.685 -5.560
137 H GLY 19 HN GLY 19 11.201 -0.557 -0.404
138 HA2 GLY 19 HA2 GLY 19 10.246 1.936 0.504
139 HA3 GLY 19 HA1 GLY 19 9.837 0.375 1.190
140 H LYS 20 HN LYS 20 12.947 0.159 1.561
141 HA LYS 20 HA LYS 20 12.883 1.179 4.268
142 HB2 LYS 20 HB2 LYS 20 14.662 -0.687 2.771
143 HB3 LYS 20 HB1 LYS 20 15.265 0.074 4.238
144 HG2 LYS 20 HG2 LYS 20 12.643 -1.370 4.204
145 HG3 LYS 20 HG1 LYS 20 14.169 -2.231 4.427
146 HD2 LYS 20 HD2 LYS 20 14.609 -1.175 6.454
147 HD3 LYS 20 HD1 LYS 20 13.502 0.156 6.110
148 HE2 LYS 20 HE2 LYS 20 11.848 -2.034 6.061
149 HE3 LYS 20 HE1 LYS 20 12.992 -2.444 7.339
150 HZ1 LYS 20 HZ1 LYS 20 12.511 -0.143 8.237
151 HZ2 LYS 20 HZ2 LYS 20 11.271 -1.284 8.386
152 HZ3 LYS 20 HZ3 LYS 20 11.191 -0.102 7.179
153 H LEU 21 HN LEU 21 15.180 1.366 1.600
154 HA LEU 21 HA LEU 21 16.432 3.711 2.729
155 HB2 LEU 21 HB2 LEU 21 16.855 2.594 -0.040
156 HB3 LEU 21 HB1 LEU 21 17.940 3.629 0.868
157 HG LEU 21 HG LEU 21 17.408 1.138 2.270
158 HD11 LEU 21 HD11 LEU 21 19.063 0.014 0.498
159 HD12 LEU 21 HD12 LEU 21 18.124 1.032 -0.594
160 HD13 LEU 21 HD13 LEU 21 17.310 -0.159 0.421
161 HD21 LEU 21 HD21 LEU 21 20.039 1.166 1.870
162 HD22 LEU 21 HD22 LEU 21 19.255 2.184 3.077
163 HD23 LEU 21 HD23 LEU 21 19.697 2.858 1.508
164 H GLY 22 HN GLY 22 13.790 2.970 0.920
165 HA2 GLY 22 HA2 GLY 22 13.571 5.677 -0.207
166 HA3 GLY 22 HA1 GLY 22 12.771 4.249 -0.860
167 H LYS 23 HN LYS 23 12.848 4.206 2.495
168 HA LYS 23 HA LYS 23 10.103 4.196 2.825
169 HB2 LYS 23 HB2 LYS 23 12.075 3.501 4.424
170 HB3 LYS 23 HB1 LYS 23 11.877 5.133 5.047
171 HG2 LYS 23 HG2 LYS 23 9.554 4.673 5.581
172 HG3 LYS 23 HG1 LYS 23 9.707 3.050 4.905
173 HD2 LYS 23 HD2 LYS 23 10.875 2.268 6.692
174 HD3 LYS 23 HD1 LYS 23 11.658 3.821 6.995
175 HE2 LYS 23 HE2 LYS 23 10.153 3.324 8.809
176 HE3 LYS 23 HE1 LYS 23 9.517 4.682 7.882
177 HZ1 LYS 23 HZ1 LYS 23 8.450 2.001 8.210
178 HZ2 LYS 23 HZ2 LYS 23 8.319 2.655 6.656
179 HZ3 LYS 23 HZ3 LYS 23 7.641 3.469 7.974
180 H ASP 24 HN ASP 24 12.435 6.800 2.904
181 HA ASP 24 HA ASP 24 10.840 8.801 4.040
182 HB2 ASP 24 HB2 ASP 24 13.285 8.750 2.345
183 HB3 ASP 24 HB1 ASP 24 12.415 10.277 2.466
184 H ALA 25 HN ALA 25 11.097 7.607 0.755
185 HA ALA 25 HA ALA 25 9.445 9.681 -0.374
186 HB1 ALA 25 HB1 ALA 25 9.781 7.144 -1.848
187 HB2 ALA 25 HB2 ALA 25 11.263 8.019 -1.464
188 HB3 ALA 25 HB3 ALA 25 9.987 8.808 -2.392
189 H VAL 26 HN VAL 26 9.110 6.374 0.684
190 HA VAL 26 HA VAL 26 6.589 5.691 -0.178
191 HB VAL 26 HB VAL 26 8.032 5.068 2.374
192 HG11 VAL 26 HG11 VAL 26 5.313 4.320 1.529
193 HG12 VAL 26 HG12 VAL 26 6.024 4.373 3.142
194 HG13 VAL 26 HG13 VAL 26 6.318 2.985 2.095
195 HG21 VAL 26 HG21 VAL 26 9.275 3.968 0.849
196 HG22 VAL 26 HG22 VAL 26 7.977 3.939 -0.345
197 HG23 VAL 26 HG23 VAL 26 7.988 2.769 0.975
198 H GLU 27 HN GLU 27 7.507 7.945 2.308
199 HA GLU 27 HA GLU 27 5.010 8.049 3.669
200 HB2 GLU 27 HB2 GLU 27 7.347 9.942 3.493
201 HB3 GLU 27 HB1 GLU 27 5.937 10.261 4.491
202 HG2 GLU 27 HG2 GLU 27 7.050 7.626 4.971
203 HG3 GLU 27 HG1 GLU 27 8.221 8.914 5.252
204 H ASP 28 HN ASP 28 6.657 10.120 1.346
205 HA ASP 28 HA ASP 28 4.332 11.702 0.870
206 HB2 ASP 28 HB2 ASP 28 7.092 11.941 0.329
207 HB3 ASP 28 HB1 ASP 28 6.285 11.936 -1.236
208 H LEU 29 HN LEU 29 5.278 8.639 -0.048
209 HA LEU 29 HA LEU 29 3.793 8.774 -2.580
210 HB2 LEU 29 HB2 LEU 29 5.659 6.682 -1.473
211 HB3 LEU 29 HB1 LEU 29 4.729 6.474 -2.944
212 HG LEU 29 HG LEU 29 6.697 8.725 -2.577
213 HD11 LEU 29 HD11 LEU 29 8.416 7.462 -3.429
214 HD12 LEU 29 HD12 LEU 29 7.331 6.278 -4.158
215 HD13 LEU 29 HD13 LEU 29 7.594 6.277 -2.414
216 HD21 LEU 29 HD21 LEU 29 6.626 8.774 -5.027
217 HD22 LEU 29 HD22 LEU 29 5.034 9.053 -4.319
218 HD23 LEU 29 HD23 LEU 29 5.427 7.480 -5.013
219 H GLU 30 HN GLU 30 3.444 8.023 0.651
220 HA GLU 30 HA GLU 30 1.639 5.823 0.332
221 HB2 GLU 30 HB2 GLU 30 2.898 7.249 2.568
222 HB3 GLU 30 HB1 GLU 30 1.269 6.679 2.900
223 HG2 GLU 30 HG2 GLU 30 1.866 4.434 2.513
224 HG3 GLU 30 HG1 GLU 30 3.402 4.891 1.778
225 H SER 31 HN SER 31 1.438 9.284 0.602
226 HA SER 31 HA SER 31 -1.438 9.172 1.009
227 HB2 SER 31 HB2 SER 31 0.438 10.929 1.952
228 HB3 SER 31 HB1 SER 31 -0.237 11.820 0.588
229 HG SER 31 HG SER 31 -2.335 11.352 1.528
230 H VAL 32 HN VAL 32 0.672 9.196 -1.561
231 HA VAL 32 HA VAL 32 -0.751 10.820 -3.372
232 HB VAL 32 HB VAL 32 0.963 8.446 -4.114
233 HG11 VAL 32 HG11 VAL 32 1.003 9.281 -6.216
234 HG12 VAL 32 HG12 VAL 32 0.987 10.956 -5.665
235 HG13 VAL 32 HG13 VAL 32 -0.513 10.032 -5.719
236 HG21 VAL 32 HG21 VAL 32 2.880 9.933 -4.110
237 HG22 VAL 32 HG22 VAL 32 2.159 9.854 -2.504
238 HG23 VAL 32 HG23 VAL 32 1.873 11.259 -3.529
239 H GLY 33 HN GLY 33 -0.546 8.018 -4.990
240 HA2 GLY 33 HA2 GLY 33 -3.328 7.716 -5.312
241 HA3 GLY 33 HA1 GLY 33 -2.106 6.594 -5.890
242 H LYS 34 HN LYS 34 -1.115 6.374 -3.020
243 HA LYS 34 HA LYS 34 -2.503 4.020 -2.354
244 HB2 LYS 34 HB2 LYS 34 -0.453 5.728 -1.039
245 HB3 LYS 34 HB1 LYS 34 -1.324 4.586 -0.025
246 HG2 LYS 34 HG2 LYS 34 0.186 3.863 -2.527
247 HG3 LYS 34 HG1 LYS 34 0.806 3.698 -0.883
248 HD2 LYS 34 HD2 LYS 34 -0.400 1.840 -0.485
249 HD3 LYS 34 HD1 LYS 34 -1.819 2.462 -1.329
250 HE2 LYS 34 HE2 LYS 34 -0.827 0.461 -2.405
251 HE3 LYS 34 HE1 LYS 34 -0.879 1.873 -3.460
252 HZ1 LYS 34 HZ1 LYS 34 1.480 2.279 -2.819
253 HZ2 LYS 34 HZ2 LYS 34 1.236 0.861 -3.707
254 HZ3 LYS 34 HZ3 LYS 34 1.482 0.778 -2.036
255 H GLY 35 HN GLY 35 -2.985 7.361 -1.472
256 HA2 GLY 35 HA2 GLY 35 -4.926 6.657 0.592
257 HA3 GLY 35 HA1 GLY 35 -4.371 8.276 0.195
258 H ALA 36 HN ALA 36 -4.921 7.311 -2.747
259 HA ALA 36 HA ALA 36 -7.487 8.551 -2.925
260 HB1 ALA 36 HB1 ALA 36 -5.580 7.353 -4.891
261 HB2 ALA 36 HB2 ALA 36 -6.158 9.014 -4.760
262 HB3 ALA 36 HB3 ALA 36 -7.224 7.756 -5.385
263 H VAL 37 HN VAL 37 -6.312 5.297 -2.749
264 HA VAL 37 HA VAL 37 -8.575 3.993 -3.828
265 HB VAL 37 HB VAL 37 -6.659 2.864 -1.792
266 HG11 VAL 37 HG11 VAL 37 -7.426 0.783 -2.346
267 HG12 VAL 37 HG12 VAL 37 -7.922 1.274 -3.965
268 HG13 VAL 37 HG13 VAL 37 -8.904 1.719 -2.569
269 HG21 VAL 37 HG21 VAL 37 -5.336 3.754 -3.580
270 HG22 VAL 37 HG22 VAL 37 -6.404 3.044 -4.790
271 HG23 VAL 37 HG23 VAL 37 -5.410 2.002 -3.772
272 H HIS 38 HN HIS 38 -7.496 4.307 -0.465
273 HA HIS 38 HA HIS 38 -9.933 3.400 0.652
274 HB2 HIS 38 HB2 HIS 38 -7.659 3.447 1.784
275 HB3 HIS 38 HB1 HIS 38 -7.909 5.173 2.024
276 HD1 HIS 38 HD1 HIS 38 -7.684 4.330 4.618
277 HD2 HIS 38 HD2 HIS 38 -11.173 3.334 2.592
278 HE1 HIS 38 HE1 HIS 38 -9.355 3.742 6.404
279 HE2 HIS 38 HE2 HIS 38 -11.482 3.228 5.157
280 H ASP 39 HN ASP 39 -8.899 6.432 -0.605
281 HA ASP 39 HA ASP 39 -10.577 8.168 0.848
282 HB2 ASP 39 HB2 ASP 39 -8.930 8.303 -1.567
283 HB3 ASP 39 HB1 ASP 39 -10.358 9.329 -1.649
284 H VAL 40 HN VAL 40 -11.130 6.132 -1.947
285 HA VAL 40 HA VAL 40 -13.641 7.262 -2.674
286 HB VAL 40 HB VAL 40 -12.678 4.464 -3.272
287 HG11 VAL 40 HG11 VAL 40 -14.141 4.587 -5.180
288 HG12 VAL 40 HG12 VAL 40 -14.555 6.259 -4.803
289 HG13 VAL 40 HG13 VAL 40 -15.062 4.960 -3.724
290 HG21 VAL 40 HG21 VAL 40 -10.935 5.580 -4.201
291 HG22 VAL 40 HG22 VAL 40 -11.834 7.090 -4.346
292 HG23 VAL 40 HG23 VAL 40 -12.093 5.794 -5.514
293 H LYS 41 HN LYS 41 -12.627 4.754 -0.458
294 HA LYS 41 HA LYS 41 -15.074 3.457 -0.066
295 HB2 LYS 41 HB2 LYS 41 -12.759 2.780 0.775
296 HB3 LYS 41 HB1 LYS 41 -13.029 3.901 2.102
297 HG2 LYS 41 HG2 LYS 41 -13.609 1.751 2.889
298 HG3 LYS 41 HG1 LYS 41 -15.122 2.620 2.627
299 HD2 LYS 41 HD2 LYS 41 -15.414 0.424 1.756
300 HD3 LYS 41 HD1 LYS 41 -15.254 1.512 0.376
301 HE2 LYS 41 HE2 LYS 41 -12.729 0.376 1.357
302 HE3 LYS 41 HE1 LYS 41 -13.863 -0.801 0.697
303 HZ1 LYS 41 HZ1 LYS 41 -13.273 1.664 -0.800
304 HZ2 LYS 41 HZ2 LYS 41 -13.790 0.162 -1.378
305 HZ3 LYS 41 HZ3 LYS 41 -12.192 0.363 -0.864
306 H ASP 42 HN ASP 42 -13.843 6.480 1.169
307 HA ASP 42 HA ASP 42 -15.843 6.771 3.204
308 HB2 ASP 42 HB2 ASP 42 -13.641 8.439 2.105
309 HB3 ASP 42 HB1 ASP 42 -14.958 9.280 2.917
310 H VAL 43 HN VAL 43 -15.421 7.875 -0.109
311 HA VAL 43 HA VAL 43 -17.776 9.529 -0.073
312 HB VAL 43 HB VAL 43 -16.258 8.550 -2.491
313 HG11 VAL 43 HG11 VAL 43 -17.146 10.626 -3.508
314 HG12 VAL 43 HG12 VAL 43 -18.084 10.908 -2.041
315 HG13 VAL 43 HG13 VAL 43 -18.410 9.489 -3.037
316 HG21 VAL 43 HG21 VAL 43 -14.531 9.647 -1.531
317 HG22 VAL 43 HG22 VAL 43 -15.578 10.584 -0.465
318 HG23 VAL 43 HG23 VAL 43 -15.374 11.068 -2.149
319 H LEU 44 HN LEU 44 -16.950 6.262 -0.995
320 HA LEU 44 HA LEU 44 -19.184 5.649 -2.565
321 HB2 LEU 44 HB2 LEU 44 -17.078 4.280 -2.254
322 HB3 LEU 44 HB1 LEU 44 -17.759 3.728 -0.735
323 HG LEU 44 HG LEU 44 -19.784 2.993 -2.204
324 HD11 LEU 44 HD11 LEU 44 -18.667 4.188 -4.209
325 HD12 LEU 44 HD12 LEU 44 -19.426 2.616 -4.459
326 HD13 LEU 44 HD13 LEU 44 -17.673 2.734 -4.305
327 HD21 LEU 44 HD21 LEU 44 -18.329 1.471 -0.978
328 HD22 LEU 44 HD22 LEU 44 -17.141 1.543 -2.279
329 HD23 LEU 44 HD23 LEU 44 -18.723 0.819 -2.569
330 H ASP 45 HN ASP 45 -18.767 5.845 0.891
331 HA ASP 45 HA ASP 45 -21.003 4.379 1.722
332 HB2 ASP 45 HB2 ASP 45 -19.017 5.603 3.038
333 HB3 ASP 45 HB1 ASP 45 -20.271 6.821 3.254
334 H SER 46 HN SER 46 -20.698 7.627 0.475
335 HA SER 46 HA SER 46 -23.395 8.371 1.192
336 HB2 SER 46 HB2 SER 46 -21.069 9.699 -0.081
337 HB3 SER 46 HB1 SER 46 -22.661 10.288 -0.560
338 HG SER 46 HG SER 46 -21.322 10.820 1.663
339 H VAL 47 HN VAL 47 -21.703 7.118 -1.596
340 HA VAL 47 HA VAL 47 -23.681 7.654 -3.540
341 HB VAL 47 HB VAL 47 -21.718 5.359 -3.552
342 HG11 VAL 47 HG11 VAL 47 -22.961 4.884 -5.378
343 HG12 VAL 47 HG12 VAL 47 -21.951 6.128 -6.114
344 HG13 VAL 47 HG13 VAL 47 -23.565 6.534 -5.531
345 HG21 VAL 47 HG21 VAL 47 -20.027 6.740 -4.087
346 HG22 VAL 47 HG22 VAL 47 -21.013 7.970 -3.298
347 HG23 VAL 47 HG23 VAL 47 -21.059 7.795 -5.052
348 H LEU 48 HN LEU 48 -23.280 5.103 -1.187
349 HA LEU 48 HA LEU 48 -25.764 3.859 -2.172
350 HB2 LEU 48 HB2 LEU 48 -23.243 2.680 -1.109
351 HB3 LEU 48 HB1 LEU 48 -24.752 1.857 -0.762
352 HG LEU 48 HG LEU 48 -24.263 2.595 -3.592
353 HD11 LEU 48 HD11 LEU 48 -22.503 0.812 -2.025
354 HD12 LEU 48 HD12 LEU 48 -22.173 1.737 -3.490
355 HD13 LEU 48 HD13 LEU 48 -23.052 0.211 -3.590
356 HD21 LEU 48 HD21 LEU 48 -26.301 1.459 -2.963
357 HD22 LEU 48 HD22 LEU 48 -25.378 0.172 -2.187
358 HD23 LEU 48 HD23 LEU 48 -25.298 0.383 -3.936
Start of MODEL 12
1 H1 SER 1 HT1 SER 1 5.203 -24.467 1.743
2 H2 SER 1 HT2 SER 1 6.876 -24.193 1.477
3 H3 SER 1 HT3 SER 1 5.859 -24.637 0.169
4 HA SER 1 HA SER 1 5.466 -22.192 1.742
5 HB2 SER 1 HB2 SER 1 6.604 -21.128 -0.311
6 HB3 SER 1 HB1 SER 1 7.646 -21.924 0.868
7 HG SER 1 HG SER 1 8.316 -22.770 -0.999
8 H SER 2 HN SER 2 4.686 -20.543 -0.138
9 HA SER 2 HA SER 2 2.942 -21.726 -2.085
10 HB2 SER 2 HB2 SER 2 1.888 -20.827 0.542
11 HB3 SER 2 HB1 SER 2 0.970 -20.343 -0.883
12 HG SER 2 HG SER 2 0.151 -22.278 -0.622
13 H LEU 3 HN LEU 3 1.301 -19.776 -2.772
14 HA LEU 3 HA LEU 3 2.948 -17.856 -3.985
15 HB2 LEU 3 HB2 LEU 3 0.437 -18.699 -4.415
16 HB3 LEU 3 HB1 LEU 3 0.086 -17.200 -3.575
17 HG LEU 3 HG LEU 3 1.852 -16.273 -5.372
18 HD11 LEU 3 HD11 LEU 3 1.244 -17.355 -7.563
19 HD12 LEU 3 HD12 LEU 3 0.584 -18.695 -6.625
20 HD13 LEU 3 HD13 LEU 3 2.299 -18.299 -6.511
21 HD21 LEU 3 HD21 LEU 3 0.080 -15.166 -6.228
22 HD22 LEU 3 HD22 LEU 3 -0.760 -15.907 -4.866
23 HD23 LEU 3 HD23 LEU 3 -0.863 -16.638 -6.467
24 H LEU 4 HN LEU 4 1.036 -17.769 -1.033
25 HA LEU 4 HA LEU 4 1.385 -14.977 -0.564
26 HB2 LEU 4 HB2 LEU 4 0.648 -17.195 1.347
27 HB3 LEU 4 HB1 LEU 4 0.526 -15.480 1.692
28 HG LEU 4 HG LEU 4 -1.055 -16.994 -0.386
29 HD11 LEU 4 HD11 LEU 4 -2.882 -15.932 1.244
30 HD12 LEU 4 HD12 LEU 4 -1.566 -16.145 2.399
31 HD13 LEU 4 HD13 LEU 4 -2.184 -17.531 1.501
32 HD21 LEU 4 HD21 LEU 4 -2.289 -14.630 -0.207
33 HD22 LEU 4 HD22 LEU 4 -1.022 -14.963 -1.387
34 HD23 LEU 4 HD23 LEU 4 -0.633 -14.109 0.106
35 H GLU 5 HN GLU 5 3.161 -17.871 0.283
36 HA GLU 5 HA GLU 5 4.864 -16.567 2.190
37 HB2 GLU 5 HB2 GLU 5 4.229 -19.161 1.754
38 HB3 GLU 5 HB1 GLU 5 5.770 -19.079 0.912
39 HG2 GLU 5 HG2 GLU 5 5.845 -17.829 3.537
40 HG3 GLU 5 HG1 GLU 5 5.410 -19.537 3.592
41 H LYS 6 HN LYS 6 4.903 -17.244 -1.227
42 HA LYS 6 HA LYS 6 7.669 -16.409 -1.489
43 HB2 LYS 6 HB2 LYS 6 5.628 -17.430 -3.455
44 HB3 LYS 6 HB1 LYS 6 7.195 -16.815 -3.963
45 HG2 LYS 6 HG2 LYS 6 6.691 -19.169 -2.156
46 HG3 LYS 6 HG1 LYS 6 7.261 -19.217 -3.825
47 HD2 LYS 6 HD2 LYS 6 9.345 -19.137 -3.050
48 HD3 LYS 6 HD1 LYS 6 9.018 -17.502 -2.474
49 HE2 LYS 6 HE2 LYS 6 8.800 -18.160 -0.322
50 HE3 LYS 6 HE1 LYS 6 8.043 -19.692 -0.757
51 HZ1 LYS 6 HZ1 LYS 6 10.383 -20.306 -1.580
52 HZ2 LYS 6 HZ2 LYS 6 10.083 -20.326 0.084
53 HZ3 LYS 6 HZ3 LYS 6 10.910 -19.024 -0.609
54 H GLY 7 HN GLY 7 4.443 -15.200 -2.052
55 HA2 GLY 7 HA2 GLY 7 5.297 -12.925 -3.595
56 HA3 GLY 7 HA1 GLY 7 3.685 -13.208 -2.956
57 H LEU 8 HN LEU 8 4.432 -13.513 -0.220
58 HA LEU 8 HA LEU 8 4.559 -10.755 0.522
59 HB2 LEU 8 HB2 LEU 8 3.310 -12.694 1.691
60 HB3 LEU 8 HB1 LEU 8 4.861 -13.061 2.422
61 HG LEU 8 HG LEU 8 4.675 -10.421 2.996
62 HD11 LEU 8 HD11 LEU 8 2.246 -10.764 1.950
63 HD12 LEU 8 HD12 LEU 8 2.565 -9.651 3.280
64 HD13 LEU 8 HD13 LEU 8 1.905 -11.252 3.610
65 HD21 LEU 8 HD21 LEU 8 5.221 -12.171 4.579
66 HD22 LEU 8 HD22 LEU 8 3.545 -12.719 4.588
67 HD23 LEU 8 HD23 LEU 8 3.958 -11.133 5.239
68 H ASP 9 HN ASP 9 6.776 -13.447 0.416
69 HA ASP 9 HA ASP 9 8.814 -12.260 1.986
70 HB2 ASP 9 HB2 ASP 9 8.568 -14.643 0.240
71 HB3 ASP 9 HB1 ASP 9 10.197 -14.023 0.494
72 H GLY 10 HN GLY 10 8.001 -12.192 -1.419
73 HA2 GLY 10 HA2 GLY 10 10.456 -10.989 -2.272
74 HA3 GLY 10 HA1 GLY 10 8.981 -11.137 -3.217
75 H ALA 11 HN ALA 11 7.340 -9.840 -1.199
76 HA ALA 11 HA ALA 11 7.716 -7.166 -2.070
77 HB1 ALA 11 HB1 ALA 11 5.826 -8.187 0.035
78 HB2 ALA 11 HB2 ALA 11 5.494 -8.165 -1.697
79 HB3 ALA 11 HB3 ALA 11 5.719 -6.650 -0.823
80 H LYS 12 HN LYS 12 7.686 -8.587 1.177
81 HA LYS 12 HA LYS 12 8.491 -6.347 2.590
82 HB2 LYS 12 HB2 LYS 12 8.193 -9.169 3.099
83 HB3 LYS 12 HB1 LYS 12 9.602 -8.540 3.941
84 HG2 LYS 12 HG2 LYS 12 8.368 -7.228 5.323
85 HG3 LYS 12 HG1 LYS 12 7.095 -6.974 4.128
86 HD2 LYS 12 HD2 LYS 12 6.076 -9.015 4.601
87 HD3 LYS 12 HD1 LYS 12 7.530 -9.675 5.352
88 HE2 LYS 12 HE2 LYS 12 6.016 -9.211 7.113
89 HE3 LYS 12 HE1 LYS 12 7.243 -7.945 7.160
90 HZ1 LYS 12 HZ1 LYS 12 5.764 -6.366 6.585
91 HZ2 LYS 12 HZ2 LYS 12 4.641 -7.451 7.234
92 HZ3 LYS 12 HZ3 LYS 12 4.880 -7.383 5.561
93 H LYS 13 HN LYS 13 10.410 -8.300 0.499
94 HA LYS 13 HA LYS 13 12.887 -7.377 1.748
95 HB2 LYS 13 HB2 LYS 13 14.014 -8.937 0.241
96 HB3 LYS 13 HB1 LYS 13 12.742 -9.745 1.150
97 HG2 LYS 13 HG2 LYS 13 12.134 -10.561 -0.842
98 HG3 LYS 13 HG1 LYS 13 11.395 -8.972 -1.072
99 HD2 LYS 13 HD2 LYS 13 12.742 -8.570 -2.788
100 HD3 LYS 13 HD1 LYS 13 14.156 -8.794 -1.756
101 HE2 LYS 13 HE2 LYS 13 14.194 -11.148 -2.211
102 HE3 LYS 13 HE1 LYS 13 12.655 -11.056 -3.066
103 HZ1 LYS 13 HZ1 LYS 13 14.065 -11.001 -4.822
104 HZ2 LYS 13 HZ2 LYS 13 15.326 -10.279 -3.956
105 HZ3 LYS 13 HZ3 LYS 13 14.028 -9.340 -4.500
106 H ALA 14 HN ALA 14 11.561 -7.539 -1.571
107 HA ALA 14 HA ALA 14 13.422 -5.622 -2.561
108 HB1 ALA 14 HB1 ALA 14 12.795 -6.990 -4.275
109 HB2 ALA 14 HB2 ALA 14 11.622 -5.695 -4.516
110 HB3 ALA 14 HB3 ALA 14 11.147 -7.170 -3.674
111 H VAL 15 HN VAL 15 10.027 -5.646 -1.655
112 HA VAL 15 HA VAL 15 9.767 -2.864 -2.255
113 HB VAL 15 HB VAL 15 7.706 -4.471 -0.787
114 HG11 VAL 15 HG11 VAL 15 6.346 -2.829 -2.407
115 HG12 VAL 15 HG12 VAL 15 7.810 -1.872 -2.182
116 HG13 VAL 15 HG13 VAL 15 6.862 -2.375 -0.783
117 HG21 VAL 15 HG21 VAL 15 7.796 -4.227 -3.780
118 HG22 VAL 15 HG22 VAL 15 6.805 -5.299 -2.791
119 HG23 VAL 15 HG23 VAL 15 8.538 -5.586 -2.938
120 H GLY 16 HN GLY 16 9.823 -4.884 0.632
121 HA2 GLY 16 HA2 GLY 16 9.282 -2.961 2.561
122 HA3 GLY 16 HA1 GLY 16 10.288 -4.376 2.824
123 H GLY 17 HN GLY 17 12.333 -3.698 0.946
124 HA2 GLY 17 HA2 GLY 17 13.846 -1.893 2.607
125 HA3 GLY 17 HA1 GLY 17 14.423 -2.723 1.170
126 H LEU 18 HN LEU 18 12.106 -1.672 -0.398
127 HA LEU 18 HA LEU 18 13.352 0.834 -1.141
128 HB2 LEU 18 HB2 LEU 18 11.206 -0.884 -2.343
129 HB3 LEU 18 HB1 LEU 18 11.482 0.746 -2.927
130 HG LEU 18 HG LEU 18 13.468 -1.526 -2.956
131 HD11 LEU 18 HD11 LEU 18 13.242 -0.743 -5.500
132 HD12 LEU 18 HD12 LEU 18 11.619 -0.345 -4.935
133 HD13 LEU 18 HD13 LEU 18 12.225 -1.994 -4.786
134 HD21 LEU 18 HD21 LEU 18 14.934 0.187 -2.746
135 HD22 LEU 18 HD22 LEU 18 13.776 1.393 -3.308
136 HD23 LEU 18 HD23 LEU 18 14.607 0.360 -4.471
137 H GLY 19 HN GLY 19 10.305 -0.286 0.215
138 HA2 GLY 19 HA2 GLY 19 9.119 2.347 0.180
139 HA3 GLY 19 HA1 GLY 19 8.428 0.899 0.893
140 H LYS 20 HN LYS 20 11.222 0.709 2.282
141 HA LYS 20 HA LYS 20 10.362 2.102 4.669
142 HB2 LYS 20 HB2 LYS 20 12.444 0.039 4.085
143 HB3 LYS 20 HB1 LYS 20 12.524 0.961 5.580
144 HG2 LYS 20 HG2 LYS 20 9.998 -0.429 4.796
145 HG3 LYS 20 HG1 LYS 20 11.315 -1.319 5.563
146 HD2 LYS 20 HD2 LYS 20 10.530 1.230 6.837
147 HD3 LYS 20 HD1 LYS 20 9.362 -0.088 6.938
148 HE2 LYS 20 HE2 LYS 20 10.881 -1.487 8.067
149 HE3 LYS 20 HE1 LYS 20 12.255 -0.463 7.652
150 HZ1 LYS 20 HZ1 LYS 20 10.763 1.255 9.021
151 HZ2 LYS 20 HZ2 LYS 20 11.940 0.276 9.739
152 HZ3 LYS 20 HZ3 LYS 20 10.313 -0.182 9.793
153 H LEU 21 HN LEU 21 13.385 1.861 2.874
154 HA LEU 21 HA LEU 21 14.360 4.325 4.023
155 HB2 LEU 21 HB2 LEU 21 15.580 2.813 1.718
156 HB3 LEU 21 HB1 LEU 21 16.378 3.940 2.799
157 HG LEU 21 HG LEU 21 15.342 1.213 3.580
158 HD11 LEU 21 HD11 LEU 21 17.405 0.356 3.261
159 HD12 LEU 21 HD12 LEU 21 18.217 1.866 3.675
160 HD13 LEU 21 HD13 LEU 21 17.514 1.654 2.071
161 HD21 LEU 21 HD21 LEU 21 15.892 1.651 5.725
162 HD22 LEU 21 HD22 LEU 21 15.592 3.318 5.233
163 HD23 LEU 21 HD23 LEU 21 17.242 2.695 5.280
164 H GLY 22 HN GLY 22 12.400 3.361 1.557
165 HA2 GLY 22 HA2 GLY 22 12.733 5.882 0.080
166 HA3 GLY 22 HA1 GLY 22 12.090 4.395 -0.608
167 H LYS 23 HN LYS 23 11.084 4.828 2.562
168 HA LYS 23 HA LYS 23 8.383 4.931 1.986
169 HB2 LYS 23 HB2 LYS 23 9.808 4.546 4.236
170 HB3 LYS 23 HB1 LYS 23 9.273 6.196 4.519
171 HG2 LYS 23 HG2 LYS 23 7.140 4.429 3.608
172 HG3 LYS 23 HG1 LYS 23 7.872 3.928 5.133
173 HD2 LYS 23 HD2 LYS 23 7.588 6.633 5.476
174 HD3 LYS 23 HD1 LYS 23 6.156 6.219 4.532
175 HE2 LYS 23 HE2 LYS 23 7.020 4.921 7.115
176 HE3 LYS 23 HE1 LYS 23 5.706 6.083 6.927
177 HZ1 LYS 23 HZ1 LYS 23 4.338 4.528 6.095
178 HZ2 LYS 23 HZ2 LYS 23 5.374 3.438 6.870
179 HZ3 LYS 23 HZ3 LYS 23 5.556 3.747 5.217
180 H ASP 24 HN ASP 24 10.744 7.468 2.404
181 HA ASP 24 HA ASP 24 9.138 9.681 2.806
182 HB2 ASP 24 HB2 ASP 24 11.690 9.546 2.756
183 HB3 ASP 24 HB1 ASP 24 11.557 9.726 1.009
184 H ALA 25 HN ALA 25 9.863 7.976 -0.177
185 HA ALA 25 HA ALA 25 8.515 9.892 -1.857
186 HB1 ALA 25 HB1 ALA 25 8.877 8.241 -3.644
187 HB2 ALA 25 HB2 ALA 25 9.475 7.090 -2.449
188 HB3 ALA 25 HB3 ALA 25 10.362 8.583 -2.757
189 H VAL 26 HN VAL 26 7.874 6.759 -0.450
190 HA VAL 26 HA VAL 26 5.471 6.064 -1.608
191 HB VAL 26 HB VAL 26 6.508 5.663 1.178
192 HG11 VAL 26 HG11 VAL 26 4.158 5.402 1.408
193 HG12 VAL 26 HG12 VAL 26 4.825 3.774 1.290
194 HG13 VAL 26 HG13 VAL 26 4.040 4.509 -0.108
195 HG21 VAL 26 HG21 VAL 26 6.710 3.267 0.194
196 HG22 VAL 26 HG22 VAL 26 7.904 4.491 -0.238
197 HG23 VAL 26 HG23 VAL 26 6.603 4.093 -1.361
198 H GLU 27 HN GLU 27 6.152 8.491 0.802
199 HA GLU 27 HA GLU 27 3.492 8.865 1.733
200 HB2 GLU 27 HB2 GLU 27 5.993 10.528 1.787
201 HB3 GLU 27 HB1 GLU 27 4.470 11.148 2.404
202 HG2 GLU 27 HG2 GLU 27 5.412 8.516 3.400
203 HG3 GLU 27 HG1 GLU 27 6.232 9.968 3.972
204 H ASP 28 HN ASP 28 5.599 10.547 -0.530
205 HA ASP 28 HA ASP 28 3.546 12.269 -1.472
206 HB2 ASP 28 HB2 ASP 28 6.390 11.778 -2.104
207 HB3 ASP 28 HB1 ASP 28 5.413 12.357 -3.449
208 H LEU 29 HN LEU 29 4.171 9.021 -1.874
209 HA LEU 29 HA LEU 29 2.939 8.945 -4.539
210 HB2 LEU 29 HB2 LEU 29 4.401 6.830 -2.964
211 HB3 LEU 29 HB1 LEU 29 3.600 6.530 -4.493
212 HG LEU 29 HG LEU 29 5.764 8.600 -4.247
213 HD11 LEU 29 HD11 LEU 29 7.434 7.090 -4.406
214 HD12 LEU 29 HD12 LEU 29 6.456 5.941 -5.319
215 HD13 LEU 29 HD13 LEU 29 6.277 6.056 -3.568
216 HD21 LEU 29 HD21 LEU 29 4.047 8.121 -6.257
217 HD22 LEU 29 HD22 LEU 29 5.332 6.989 -6.680
218 HD23 LEU 29 HD23 LEU 29 5.693 8.706 -6.502
219 H GLU 30 HN GLU 30 2.203 8.767 -1.297
220 HA GLU 30 HA GLU 30 0.172 6.752 -1.473
221 HB2 GLU 30 HB2 GLU 30 1.632 7.714 0.599
222 HB3 GLU 30 HB1 GLU 30 0.136 8.610 0.818
223 HG2 GLU 30 HG2 GLU 30 -0.798 6.092 0.405
224 HG3 GLU 30 HG1 GLU 30 0.719 5.776 1.245
225 H SER 31 HN SER 31 0.362 10.260 -1.487
226 HA SER 31 HA SER 31 -2.505 10.545 -1.457
227 HB2 SER 31 HB2 SER 31 -0.192 12.383 -1.323
228 HB3 SER 31 HB1 SER 31 -1.645 13.033 -2.081
229 HG SER 31 HG SER 31 -2.786 12.592 -0.207
230 H VAL 32 HN VAL 32 -0.237 9.874 -3.798
231 HA VAL 32 HA VAL 32 -1.346 11.281 -5.978
232 HB VAL 32 HB VAL 32 0.146 8.660 -6.151
233 HG11 VAL 32 HG11 VAL 32 0.439 9.109 -8.352
234 HG12 VAL 32 HG12 VAL 32 0.551 10.850 -8.092
235 HG13 VAL 32 HG13 VAL 32 -1.027 10.063 -8.126
236 HG21 VAL 32 HG21 VAL 32 1.417 10.139 -4.713
237 HG22 VAL 32 HG22 VAL 32 1.285 11.439 -5.895
238 HG23 VAL 32 HG23 VAL 32 2.209 9.987 -6.280
239 H GLY 33 HN GLY 33 -1.339 8.224 -7.062
240 HA2 GLY 33 HA2 GLY 33 -4.161 8.138 -7.426
241 HA3 GLY 33 HA1 GLY 33 -3.020 6.890 -7.903
242 H LYS 34 HN LYS 34 -2.075 6.994 -4.956
243 HA LYS 34 HA LYS 34 -3.649 4.786 -4.090
244 HB2 LYS 34 HB2 LYS 34 -1.443 6.407 -2.858
245 HB3 LYS 34 HB1 LYS 34 -2.315 5.217 -1.902
246 HG2 LYS 34 HG2 LYS 34 -1.697 3.496 -3.575
247 HG3 LYS 34 HG1 LYS 34 -0.721 4.710 -4.403
248 HD2 LYS 34 HD2 LYS 34 0.929 4.600 -2.878
249 HD3 LYS 34 HD1 LYS 34 -0.199 4.488 -1.525
250 HE2 LYS 34 HE2 LYS 34 0.205 2.312 -1.370
251 HE3 LYS 34 HE1 LYS 34 -0.394 2.083 -3.012
252 HZ1 LYS 34 HZ1 LYS 34 2.372 2.987 -2.516
253 HZ2 LYS 34 HZ2 LYS 34 1.733 2.239 -3.892
254 HZ3 LYS 34 HZ3 LYS 34 1.975 1.342 -2.478
255 H GLY 35 HN GLY 35 -3.593 8.216 -3.354
256 HA2 GLY 35 HA2 GLY 35 -5.384 8.022 -1.120
257 HA3 GLY 35 HA1 GLY 35 -4.888 9.498 -1.933
258 H ALA 36 HN ALA 36 -5.779 8.274 -4.552
259 HA ALA 36 HA ALA 36 -8.436 9.322 -4.505
260 HB1 ALA 36 HB1 ALA 36 -6.573 8.292 -6.554
261 HB2 ALA 36 HB2 ALA 36 -7.574 9.744 -6.555
262 HB3 ALA 36 HB3 ALA 36 -8.294 8.177 -6.926
263 H VAL 37 HN VAL 37 -7.003 6.180 -4.255
264 HA VAL 37 HA VAL 37 -9.319 4.681 -4.931
265 HB VAL 37 HB VAL 37 -7.002 3.752 -3.240
266 HG11 VAL 37 HG11 VAL 37 -8.481 2.030 -3.086
267 HG12 VAL 37 HG12 VAL 37 -7.720 1.598 -4.617
268 HG13 VAL 37 HG13 VAL 37 -9.275 2.428 -4.610
269 HG21 VAL 37 HG21 VAL 37 -5.766 4.264 -5.052
270 HG22 VAL 37 HG22 VAL 37 -7.171 4.358 -6.114
271 HG23 VAL 37 HG23 VAL 37 -6.471 2.790 -5.714
272 H HIS 38 HN HIS 38 -7.722 5.395 -1.852
273 HA HIS 38 HA HIS 38 -9.786 4.290 -0.248
274 HB2 HIS 38 HB2 HIS 38 -7.269 4.900 0.304
275 HB3 HIS 38 HB1 HIS 38 -7.984 6.427 0.810
276 HD1 HIS 38 HD1 HIS 38 -6.669 4.785 2.946
277 HD2 HIS 38 HD2 HIS 38 -10.667 4.321 1.913
278 HE1 HIS 38 HE1 HIS 38 -7.764 3.738 4.953
279 HE2 HIS 38 HE2 HIS 38 -10.199 3.546 4.336
280 H ASP 39 HN ASP 39 -9.376 7.308 -1.857
281 HA ASP 39 HA ASP 39 -10.925 8.992 -0.238
282 HB2 ASP 39 HB2 ASP 39 -9.553 9.844 -2.075
283 HB3 ASP 39 HB1 ASP 39 -10.584 9.027 -3.246
284 H VAL 40 HN VAL 40 -11.833 6.526 -2.534
285 HA VAL 40 HA VAL 40 -14.552 7.313 -2.818
286 HB VAL 40 HB VAL 40 -13.429 4.540 -3.206
287 HG11 VAL 40 HG11 VAL 40 -15.749 5.878 -4.584
288 HG12 VAL 40 HG12 VAL 40 -15.917 4.845 -3.165
289 HG13 VAL 40 HG13 VAL 40 -15.275 4.182 -4.668
290 HG21 VAL 40 HG21 VAL 40 -13.231 6.992 -4.891
291 HG22 VAL 40 HG22 VAL 40 -13.405 5.423 -5.677
292 HG23 VAL 40 HG23 VAL 40 -12.040 5.723 -4.602
293 H LYS 41 HN LYS 41 -12.874 4.987 -0.759
294 HA LYS 41 HA LYS 41 -15.212 3.960 0.477
295 HB2 LYS 41 HB2 LYS 41 -12.359 3.568 0.670
296 HB3 LYS 41 HB1 LYS 41 -13.071 3.651 2.275
297 HG2 LYS 41 HG2 LYS 41 -14.039 1.833 0.081
298 HG3 LYS 41 HG1 LYS 41 -12.918 1.357 1.357
299 HD2 LYS 41 HD2 LYS 41 -14.614 1.912 3.041
300 HD3 LYS 41 HD1 LYS 41 -15.734 2.367 1.756
301 HE2 LYS 41 HE2 LYS 41 -16.318 0.166 2.395
302 HE3 LYS 41 HE1 LYS 41 -15.466 0.025 0.858
303 HZ1 LYS 41 HZ1 LYS 41 -13.426 -0.450 2.206
304 HZ2 LYS 41 HZ2 LYS 41 -14.621 -1.645 2.272
305 HZ3 LYS 41 HZ3 LYS 41 -14.424 -0.575 3.567
306 H ASP 42 HN ASP 42 -13.055 6.631 1.194
307 HA ASP 42 HA ASP 42 -14.015 7.161 3.805
308 HB2 ASP 42 HB2 ASP 42 -11.851 8.002 2.771
309 HB3 ASP 42 HB1 ASP 42 -12.827 9.195 1.919
310 H VAL 43 HN VAL 43 -14.928 8.323 0.609
311 HA VAL 43 HA VAL 43 -16.884 10.173 1.626
312 HB VAL 43 HB VAL 43 -16.579 9.161 -1.203
313 HG11 VAL 43 HG11 VAL 43 -17.493 11.678 -1.426
314 HG12 VAL 43 HG12 VAL 43 -18.241 11.219 0.104
315 HG13 VAL 43 HG13 VAL 43 -18.545 10.265 -1.348
316 HG21 VAL 43 HG21 VAL 43 -14.570 10.339 0.047
317 HG22 VAL 43 HG22 VAL 43 -15.495 11.790 -0.336
318 HG23 VAL 43 HG23 VAL 43 -14.961 10.718 -1.630
319 H LEU 44 HN LEU 44 -16.838 6.864 0.526
320 HA LEU 44 HA LEU 44 -19.512 6.446 -0.083
321 HB2 LEU 44 HB2 LEU 44 -17.419 4.864 -0.157
322 HB3 LEU 44 HB1 LEU 44 -17.978 4.375 1.431
323 HG LEU 44 HG LEU 44 -20.109 3.659 0.500
324 HD11 LEU 44 HD11 LEU 44 -20.165 3.565 -2.092
325 HD12 LEU 44 HD12 LEU 44 -19.009 4.893 -1.989
326 HD13 LEU 44 HD13 LEU 44 -20.610 5.059 -1.267
327 HD21 LEU 44 HD21 LEU 44 -19.248 1.840 -1.005
328 HD22 LEU 44 HD22 LEU 44 -18.435 1.974 0.555
329 HD23 LEU 44 HD23 LEU 44 -17.661 2.604 -0.899
330 H ASP 45 HN ASP 45 -17.970 6.850 3.011
331 HA ASP 45 HA ASP 45 -19.992 5.741 4.638
332 HB2 ASP 45 HB2 ASP 45 -17.572 6.456 5.249
333 HB3 ASP 45 HB1 ASP 45 -18.274 8.050 5.508
334 H SER 46 HN SER 46 -19.580 8.886 3.156
335 HA SER 46 HA SER 46 -21.835 10.018 4.590
336 HB2 SER 46 HB2 SER 46 -19.663 11.247 3.803
337 HB3 SER 46 HB1 SER 46 -20.503 11.353 2.256
338 HG SER 46 HG SER 46 -21.166 13.136 3.268
339 H VAL 47 HN VAL 47 -21.065 8.800 1.383
340 HA VAL 47 HA VAL 47 -23.338 9.673 0.011
341 HB VAL 47 HB VAL 47 -21.915 7.055 -0.470
342 HG11 VAL 47 HG11 VAL 47 -22.707 7.196 -2.686
343 HG12 VAL 47 HG12 VAL 47 -23.222 8.870 -2.479
344 HG13 VAL 47 HG13 VAL 47 -24.093 7.572 -1.663
345 HG21 VAL 47 HG21 VAL 47 -21.006 9.823 -0.802
346 HG22 VAL 47 HG22 VAL 47 -20.820 8.814 -2.237
347 HG23 VAL 47 HG23 VAL 47 -20.079 8.325 -0.713
348 H LEU 48 HN LEU 48 -22.878 7.024 2.236
349 HA LEU 48 HA LEU 48 -24.324 5.568 3.214
350 HB2 LEU 48 HB2 LEU 48 -25.655 7.934 3.108
351 HB3 LEU 48 HB1 LEU 48 -26.760 6.900 2.223
352 HG LEU 48 HG LEU 48 -26.265 5.349 4.397
353 HD11 LEU 48 HD11 LEU 48 -24.897 6.987 5.511
354 HD12 LEU 48 HD12 LEU 48 -26.428 6.828 6.371
355 HD13 LEU 48 HD13 LEU 48 -26.148 8.216 5.319
356 HD21 LEU 48 HD21 LEU 48 -28.422 6.434 3.263
357 HD22 LEU 48 HD22 LEU 48 -28.366 7.408 4.733
358 HD23 LEU 48 HD23 LEU 48 -28.469 5.651 4.842
Start of MODEL 13
1 H1 SER 1 HT1 SER 1 4.997 -23.216 -1.862
2 H2 SER 1 HT2 SER 1 5.854 -21.734 -1.990
3 H3 SER 1 HT3 SER 1 6.366 -23.105 -2.887
4 HA SER 1 HA SER 1 5.147 -21.369 -4.137
5 HB2 SER 1 HB2 SER 1 5.344 -24.054 -4.429
6 HB3 SER 1 HB1 SER 1 3.591 -23.883 -4.353
7 HG SER 1 HG SER 1 3.913 -23.506 -6.425
8 H SER 2 HN SER 2 4.160 -20.755 -1.587
9 HA SER 2 HA SER 2 1.246 -20.979 -1.923
10 HB2 SER 2 HB2 SER 2 2.887 -20.377 0.548
11 HB3 SER 2 HB1 SER 2 1.124 -20.366 0.492
12 HG SER 2 HG SER 2 2.815 -22.583 -0.045
13 H LEU 3 HN LEU 3 -0.061 -19.145 -1.747
14 HA LEU 3 HA LEU 3 0.928 -16.799 -2.907
15 HB2 LEU 3 HB2 LEU 3 -1.610 -17.585 -1.568
16 HB3 LEU 3 HB1 LEU 3 -1.317 -15.875 -1.823
17 HG LEU 3 HG LEU 3 -0.986 -17.714 -4.144
18 HD11 LEU 3 HD11 LEU 3 -3.290 -17.806 -4.629
19 HD12 LEU 3 HD12 LEU 3 -3.688 -16.683 -3.330
20 HD13 LEU 3 HD13 LEU 3 -3.135 -18.313 -2.947
21 HD21 LEU 3 HD21 LEU 3 -1.418 -15.830 -5.404
22 HD22 LEU 3 HD22 LEU 3 -0.581 -15.148 -4.009
23 HD23 LEU 3 HD23 LEU 3 -2.338 -15.051 -4.117
24 H LEU 4 HN LEU 4 0.777 -17.813 0.406
25 HA LEU 4 HA LEU 4 1.034 -15.223 1.569
26 HB2 LEU 4 HB2 LEU 4 0.522 -17.782 2.502
27 HB3 LEU 4 HB1 LEU 4 2.104 -17.415 3.162
28 HG LEU 4 HG LEU 4 1.149 -15.313 4.123
29 HD11 LEU 4 HD11 LEU 4 -1.367 -15.308 4.341
30 HD12 LEU 4 HD12 LEU 4 -1.393 -16.502 3.042
31 HD13 LEU 4 HD13 LEU 4 -0.727 -14.895 2.751
32 HD21 LEU 4 HD21 LEU 4 1.367 -17.543 5.326
33 HD22 LEU 4 HD22 LEU 4 -0.368 -17.729 5.065
34 HD23 LEU 4 HD23 LEU 4 0.241 -16.373 6.014
35 H GLU 5 HN GLU 5 3.303 -17.815 0.785
36 HA GLU 5 HA GLU 5 5.585 -16.355 1.732
37 HB2 GLU 5 HB2 GLU 5 5.082 -18.997 0.488
38 HB3 GLU 5 HB1 GLU 5 6.670 -18.299 0.203
39 HG2 GLU 5 HG2 GLU 5 7.349 -18.881 2.223
40 HG3 GLU 5 HG1 GLU 5 5.991 -18.042 2.970
41 H LYS 6 HN LYS 6 3.904 -16.774 -1.285
42 HA LYS 6 HA LYS 6 6.026 -15.552 -2.823
43 HB2 LYS 6 HB2 LYS 6 3.353 -16.733 -3.478
44 HB3 LYS 6 HB1 LYS 6 4.160 -15.697 -4.648
45 HG2 LYS 6 HG2 LYS 6 5.395 -18.158 -3.434
46 HG3 LYS 6 HG1 LYS 6 4.559 -18.122 -4.988
47 HD2 LYS 6 HD2 LYS 6 7.008 -16.515 -4.258
48 HD3 LYS 6 HD1 LYS 6 6.984 -17.958 -5.273
49 HE2 LYS 6 HE2 LYS 6 5.135 -16.439 -6.528
50 HE3 LYS 6 HE1 LYS 6 6.200 -15.186 -5.893
51 HZ1 LYS 6 HZ1 LYS 6 7.313 -15.597 -7.787
52 HZ2 LYS 6 HZ2 LYS 6 6.690 -17.160 -7.964
53 HZ3 LYS 6 HZ3 LYS 6 7.980 -16.880 -6.907
54 H GLY 7 HN GLY 7 3.018 -14.652 -1.325
55 HA2 GLY 7 HA2 GLY 7 2.822 -12.136 -2.742
56 HA3 GLY 7 HA1 GLY 7 1.782 -12.684 -1.436
57 H LEU 8 HN LEU 8 3.797 -13.208 0.487
58 HA LEU 8 HA LEU 8 4.194 -10.554 1.475
59 HB2 LEU 8 HB2 LEU 8 3.838 -12.885 2.711
60 HB3 LEU 8 HB1 LEU 8 5.591 -12.880 2.698
61 HG LEU 8 HG LEU 8 3.956 -10.609 3.818
62 HD11 LEU 8 HD11 LEU 8 5.335 -12.456 5.652
63 HD12 LEU 8 HD12 LEU 8 3.880 -13.082 4.876
64 HD13 LEU 8 HD13 LEU 8 3.802 -11.603 5.834
65 HD21 LEU 8 HD21 LEU 8 6.858 -11.364 3.855
66 HD22 LEU 8 HD22 LEU 8 6.166 -10.287 5.067
67 HD23 LEU 8 HD23 LEU 8 6.116 -9.843 3.361
68 H ASP 9 HN ASP 9 6.144 -12.952 -0.136
69 HA ASP 9 HA ASP 9 8.673 -11.865 0.440
70 HB2 ASP 9 HB2 ASP 9 8.379 -14.142 -0.426
71 HB3 ASP 9 HB1 ASP 9 7.797 -13.491 -1.956
72 H GLY 10 HN GLY 10 6.197 -10.941 -1.797
73 HA2 GLY 10 HA2 GLY 10 7.881 -9.430 -3.552
74 HA3 GLY 10 HA1 GLY 10 6.125 -9.367 -3.477
75 H ALA 11 HN ALA 11 6.082 -8.788 -0.631
76 HA ALA 11 HA ALA 11 6.254 -5.959 -0.816
77 HB1 ALA 11 HB1 ALA 11 5.436 -7.882 1.307
78 HB2 ALA 11 HB2 ALA 11 4.496 -6.618 0.513
79 HB3 ALA 11 HB3 ALA 11 5.706 -6.189 1.721
80 H LYS 12 HN LYS 12 7.845 -8.265 1.355
81 HA LYS 12 HA LYS 12 9.589 -6.507 2.589
82 HB2 LYS 12 HB2 LYS 12 9.895 -9.449 2.006
83 HB3 LYS 12 HB1 LYS 12 10.987 -8.546 3.048
84 HG2 LYS 12 HG2 LYS 12 9.169 -8.033 4.562
85 HG3 LYS 12 HG1 LYS 12 8.024 -8.849 3.495
86 HD2 LYS 12 HD2 LYS 12 8.774 -10.940 4.063
87 HD3 LYS 12 HD1 LYS 12 10.398 -10.368 4.453
88 HE2 LYS 12 HE2 LYS 12 9.464 -9.266 6.472
89 HE3 LYS 12 HE1 LYS 12 7.901 -9.992 6.101
90 HZ1 LYS 12 HZ1 LYS 12 9.114 -11.291 7.733
91 HZ2 LYS 12 HZ2 LYS 12 10.408 -11.482 6.662
92 HZ3 LYS 12 HZ3 LYS 12 8.909 -12.179 6.307
93 H LYS 13 HN LYS 13 9.768 -7.719 -0.643
94 HA LYS 13 HA LYS 13 12.616 -7.116 -0.835
95 HB2 LYS 13 HB2 LYS 13 12.463 -8.050 -3.092
96 HB3 LYS 13 HB1 LYS 13 11.796 -9.159 -1.900
97 HG2 LYS 13 HG2 LYS 13 10.068 -9.301 -3.312
98 HG3 LYS 13 HG1 LYS 13 9.590 -7.752 -2.610
99 HD2 LYS 13 HD2 LYS 13 9.813 -6.760 -4.582
100 HD3 LYS 13 HD1 LYS 13 11.502 -7.264 -4.667
101 HE2 LYS 13 HE2 LYS 13 11.058 -8.950 -6.090
102 HE3 LYS 13 HE1 LYS 13 9.560 -9.383 -5.265
103 HZ1 LYS 13 HZ1 LYS 13 8.674 -8.566 -7.156
104 HZ2 LYS 13 HZ2 LYS 13 9.993 -7.563 -7.495
105 HZ3 LYS 13 HZ3 LYS 13 8.838 -7.084 -6.356
106 H ALA 14 HN ALA 14 9.684 -6.223 -2.685
107 HA ALA 14 HA ALA 14 10.980 -4.017 -3.941
108 HB1 ALA 14 HB1 ALA 14 8.388 -3.524 -4.408
109 HB2 ALA 14 HB2 ALA 14 8.286 -5.236 -3.995
110 HB3 ALA 14 HB3 ALA 14 9.320 -4.709 -5.323
111 H VAL 15 HN VAL 15 8.677 -4.477 -1.332
112 HA VAL 15 HA VAL 15 8.570 -1.668 -0.815
113 HB VAL 15 HB VAL 15 7.426 -3.761 0.999
114 HG11 VAL 15 HG11 VAL 15 7.521 -1.367 1.712
115 HG12 VAL 15 HG12 VAL 15 5.899 -2.058 1.661
116 HG13 VAL 15 HG13 VAL 15 6.443 -0.988 0.368
117 HG21 VAL 15 HG21 VAL 15 5.966 -2.553 -1.339
118 HG22 VAL 15 HG22 VAL 15 5.428 -3.853 -0.276
119 HG23 VAL 15 HG23 VAL 15 6.751 -4.130 -1.409
120 H GLY 16 HN GLY 16 9.708 -4.532 0.919
121 HA2 GLY 16 HA2 GLY 16 10.784 -3.134 3.126
122 HA3 GLY 16 HA1 GLY 16 11.208 -4.769 2.643
123 H GLY 17 HN GLY 17 12.121 -3.995 -0.005
124 HA2 GLY 17 HA2 GLY 17 14.810 -3.259 0.729
125 HA3 GLY 17 HA1 GLY 17 14.245 -3.684 -0.879
126 H LEU 18 HN LEU 18 12.479 -1.898 -1.608
127 HA LEU 18 HA LEU 18 14.031 0.537 -1.775
128 HB2 LEU 18 HB2 LEU 18 12.659 -0.737 -3.637
129 HB3 LEU 18 HB1 LEU 18 11.347 0.259 -3.036
130 HG LEU 18 HG LEU 18 13.832 1.726 -3.621
131 HD11 LEU 18 HD11 LEU 18 12.230 0.991 -6.011
132 HD12 LEU 18 HD12 LEU 18 13.437 -0.156 -5.430
133 HD13 LEU 18 HD13 LEU 18 13.920 1.478 -5.885
134 HD21 LEU 18 HD21 LEU 18 11.898 3.001 -4.936
135 HD22 LEU 18 HD22 LEU 18 12.141 3.180 -3.199
136 HD23 LEU 18 HD23 LEU 18 10.899 2.086 -3.807
137 H GLY 19 HN GLY 19 10.865 -0.449 -0.559
138 HA2 GLY 19 HA2 GLY 19 9.926 2.115 0.123
139 HA3 GLY 19 HA1 GLY 19 9.362 0.606 0.816
140 H LYS 20 HN LYS 20 12.382 0.279 1.594
141 HA LYS 20 HA LYS 20 12.027 1.428 4.226
142 HB2 LYS 20 HB2 LYS 20 13.870 -0.591 3.044
143 HB3 LYS 20 HB1 LYS 20 14.352 0.224 4.525
144 HG2 LYS 20 HG2 LYS 20 11.673 -1.090 4.287
145 HG3 LYS 20 HG1 LYS 20 13.117 -2.014 4.709
146 HD2 LYS 20 HD2 LYS 20 13.417 -0.858 6.712
147 HD3 LYS 20 HD1 LYS 20 12.404 0.491 6.193
148 HE2 LYS 20 HE2 LYS 20 11.334 -2.286 6.644
149 HE3 LYS 20 HE1 LYS 20 11.398 -1.066 7.916
150 HZ1 LYS 20 HZ1 LYS 20 9.762 -1.101 5.467
151 HZ2 LYS 20 HZ2 LYS 20 10.138 0.371 6.209
152 HZ3 LYS 20 HZ3 LYS 20 9.286 -0.813 7.065
153 H LEU 21 HN LEU 21 14.649 1.388 1.868
154 HA LEU 21 HA LEU 21 15.866 3.723 3.051
155 HB2 LEU 21 HB2 LEU 21 16.532 2.296 0.469
156 HB3 LEU 21 HB1 LEU 21 17.509 3.538 1.229
157 HG LEU 21 HG LEU 21 16.883 0.969 2.654
158 HD11 LEU 21 HD11 LEU 21 19.380 0.541 1.794
159 HD12 LEU 21 HD12 LEU 21 18.749 1.435 0.412
160 HD13 LEU 21 HD13 LEU 21 17.953 -0.047 0.941
161 HD21 LEU 21 HD21 LEU 21 17.993 3.237 3.572
162 HD22 LEU 21 HD22 LEU 21 19.434 2.417 2.971
163 HD23 LEU 21 HD23 LEU 21 18.412 1.634 4.177
164 H GLY 22 HN GLY 22 13.433 3.022 0.955
165 HA2 GLY 22 HA2 GLY 22 13.488 5.681 -0.300
166 HA3 GLY 22 HA1 GLY 22 12.697 4.260 -0.982
167 H LYS 23 HN LYS 23 12.361 4.349 2.348
168 HA LYS 23 HA LYS 23 9.603 4.498 2.339
169 HB2 LYS 23 HB2 LYS 23 11.337 3.772 4.189
170 HB3 LYS 23 HB1 LYS 23 11.128 5.430 4.736
171 HG2 LYS 23 HG2 LYS 23 8.907 5.108 5.291
172 HG3 LYS 23 HG1 LYS 23 8.743 3.704 4.235
173 HD2 LYS 23 HD2 LYS 23 8.854 2.642 6.252
174 HD3 LYS 23 HD1 LYS 23 10.577 2.720 5.875
175 HE2 LYS 23 HE2 LYS 23 10.874 4.621 7.285
176 HE3 LYS 23 HE1 LYS 23 9.134 4.804 7.500
177 HZ1 LYS 23 HZ1 LYS 23 10.225 3.770 9.419
178 HZ2 LYS 23 HZ2 LYS 23 10.721 2.479 8.445
179 HZ3 LYS 23 HZ3 LYS 23 9.074 2.746 8.719
180 H ASP 24 HN ASP 24 12.044 6.985 2.608
181 HA ASP 24 HA ASP 24 10.528 9.113 3.540
182 HB2 ASP 24 HB2 ASP 24 13.114 8.807 2.774
183 HB3 ASP 24 HB1 ASP 24 12.495 9.777 1.441
184 H ALA 25 HN ALA 25 10.828 7.809 0.292
185 HA ALA 25 HA ALA 25 9.280 9.912 -0.928
186 HB1 ALA 25 HB1 ALA 25 9.768 7.241 -2.196
187 HB2 ALA 25 HB2 ALA 25 11.081 8.406 -2.028
188 HB3 ALA 25 HB3 ALA 25 9.640 8.829 -2.953
189 H VAL 26 HN VAL 26 8.809 6.598 0.089
190 HA VAL 26 HA VAL 26 6.274 6.034 -0.806
191 HB VAL 26 HB VAL 26 7.662 5.300 1.749
192 HG11 VAL 26 HG11 VAL 26 4.932 4.648 0.833
193 HG12 VAL 26 HG12 VAL 26 5.600 4.694 2.465
194 HG13 VAL 26 HG13 VAL 26 5.887 3.293 1.434
195 HG21 VAL 26 HG21 VAL 26 8.262 3.284 0.665
196 HG22 VAL 26 HG22 VAL 26 8.604 4.583 -0.477
197 HG23 VAL 26 HG23 VAL 26 7.158 3.594 -0.675
198 H GLU 27 HN GLU 27 7.256 8.143 1.796
199 HA GLU 27 HA GLU 27 4.729 8.344 3.087
200 HB2 GLU 27 HB2 GLU 27 7.293 9.871 3.120
201 HB3 GLU 27 HB1 GLU 27 5.862 10.610 3.821
202 HG2 GLU 27 HG2 GLU 27 5.696 8.305 5.080
203 HG3 GLU 27 HG1 GLU 27 7.425 8.254 4.736
204 H ASP 28 HN ASP 28 6.553 10.367 0.858
205 HA ASP 28 HA ASP 28 4.377 12.146 0.410
206 HB2 ASP 28 HB2 ASP 28 7.130 12.184 -0.108
207 HB3 ASP 28 HB1 ASP 28 6.371 12.181 -1.697
208 H LEU 29 HN LEU 29 5.036 9.025 -0.555
209 HA LEU 29 HA LEU 29 3.548 9.318 -3.071
210 HB2 LEU 29 HB2 LEU 29 5.233 7.058 -2.003
211 HB3 LEU 29 HB1 LEU 29 4.273 6.946 -3.465
212 HG LEU 29 HG LEU 29 6.430 9.016 -3.104
213 HD11 LEU 29 HD11 LEU 29 6.623 6.151 -3.824
214 HD12 LEU 29 HD12 LEU 29 7.797 7.208 -3.039
215 HD13 LEU 29 HD13 LEU 29 7.564 7.291 -4.786
216 HD21 LEU 29 HD21 LEU 29 6.347 9.024 -5.580
217 HD22 LEU 29 HD22 LEU 29 4.837 9.541 -4.829
218 HD23 LEU 29 HD23 LEU 29 4.976 7.918 -5.505
219 H GLU 30 HN GLU 30 3.169 8.549 0.159
220 HA GLU 30 HA GLU 30 1.166 6.529 -0.176
221 HB2 GLU 30 HB2 GLU 30 2.599 6.486 1.795
222 HB3 GLU 30 HB1 GLU 30 2.025 8.078 2.269
223 HG2 GLU 30 HG2 GLU 30 0.300 7.203 3.340
224 HG3 GLU 30 HG1 GLU 30 -0.197 6.303 1.909
225 H SER 31 HN SER 31 1.292 9.990 0.204
226 HA SER 31 HA SER 31 -1.575 10.143 0.634
227 HB2 SER 31 HB2 SER 31 0.686 12.059 0.860
228 HB3 SER 31 HB1 SER 31 -0.901 12.724 0.473
229 HG SER 31 HG SER 31 -0.490 10.941 2.629
230 H VAL 32 HN VAL 32 0.480 9.989 -1.972
231 HA VAL 32 HA VAL 32 -0.815 11.760 -3.742
232 HB VAL 32 HB VAL 32 0.663 9.248 -4.535
233 HG11 VAL 32 HG11 VAL 32 0.866 11.772 -6.061
234 HG12 VAL 32 HG12 VAL 32 -0.696 10.954 -6.108
235 HG13 VAL 32 HG13 VAL 32 0.760 10.106 -6.632
236 HG21 VAL 32 HG21 VAL 32 1.826 11.964 -3.936
237 HG22 VAL 32 HG22 VAL 32 2.704 10.568 -4.563
238 HG23 VAL 32 HG23 VAL 32 2.015 10.521 -2.942
239 H GLY 33 HN GLY 33 -0.895 8.968 -5.388
240 HA2 GLY 33 HA2 GLY 33 -3.729 8.923 -5.573
241 HA3 GLY 33 HA1 GLY 33 -2.628 7.787 -6.336
242 H LYS 34 HN LYS 34 -1.509 7.336 -3.483
243 HA LYS 34 HA LYS 34 -2.987 4.984 -2.964
244 HB2 LYS 34 HB2 LYS 34 -0.544 6.043 -2.148
245 HB3 LYS 34 HB1 LYS 34 -1.486 5.945 -0.668
246 HG2 LYS 34 HG2 LYS 34 -0.289 3.919 -0.860
247 HG3 LYS 34 HG1 LYS 34 -1.972 3.555 -1.248
248 HD2 LYS 34 HD2 LYS 34 -1.160 2.567 -3.086
249 HD3 LYS 34 HD1 LYS 34 -0.913 4.204 -3.699
250 HE2 LYS 34 HE2 LYS 34 1.097 2.479 -2.259
251 HE3 LYS 34 HE1 LYS 34 1.122 2.941 -3.961
252 HZ1 LYS 34 HZ1 LYS 34 1.299 4.867 -1.708
253 HZ2 LYS 34 HZ2 LYS 34 1.492 5.209 -3.353
254 HZ3 LYS 34 HZ3 LYS 34 2.637 4.259 -2.548
255 H GLY 35 HN GLY 35 -3.213 8.256 -1.775
256 HA2 GLY 35 HA2 GLY 35 -5.045 7.511 0.359
257 HA3 GLY 35 HA1 GLY 35 -4.480 9.132 -0.012
258 H ALA 36 HN ALA 36 -5.222 8.530 -2.926
259 HA ALA 36 HA ALA 36 -7.831 9.686 -2.805
260 HB1 ALA 36 HB1 ALA 36 -6.896 8.572 -5.371
261 HB2 ALA 36 HB2 ALA 36 -5.856 9.789 -4.630
262 HB3 ALA 36 HB3 ALA 36 -7.539 10.170 -4.991
263 H VAL 37 HN VAL 37 -6.552 6.484 -3.141
264 HA VAL 37 HA VAL 37 -8.817 5.253 -4.288
265 HB VAL 37 HB VAL 37 -6.768 3.950 -2.496
266 HG11 VAL 37 HG11 VAL 37 -8.254 2.267 -2.756
267 HG12 VAL 37 HG12 VAL 37 -7.436 2.083 -4.308
268 HG13 VAL 37 HG13 VAL 37 -8.958 2.968 -4.213
269 HG21 VAL 37 HG21 VAL 37 -6.495 3.716 -5.417
270 HG22 VAL 37 HG22 VAL 37 -5.260 3.894 -4.171
271 HG23 VAL 37 HG23 VAL 37 -6.142 5.308 -4.747
272 H HIS 38 HN HIS 38 -7.616 5.172 -0.953
273 HA HIS 38 HA HIS 38 -9.953 4.029 0.140
274 HB2 HIS 38 HB2 HIS 38 -7.756 3.979 1.274
275 HB3 HIS 38 HB1 HIS 38 -7.853 5.720 1.517
276 HD1 HIS 38 HD1 HIS 38 -7.658 5.130 4.106
277 HD2 HIS 38 HD2 HIS 38 -11.153 3.887 2.232
278 HE1 HIS 38 HE1 HIS 38 -9.271 4.613 5.965
279 HE2 HIS 38 HE2 HIS 38 -11.351 3.786 4.809
280 H ASP 39 HN ASP 39 -9.147 7.232 -0.826
281 HA ASP 39 HA ASP 39 -10.851 8.713 0.852
282 HB2 ASP 39 HB2 ASP 39 -9.173 9.223 -1.387
283 HB3 ASP 39 HB1 ASP 39 -10.750 9.923 -1.738
284 H VAL 40 HN VAL 40 -11.429 6.956 -2.128
285 HA VAL 40 HA VAL 40 -14.031 7.974 -2.622
286 HB VAL 40 HB VAL 40 -12.959 5.292 -3.495
287 HG11 VAL 40 HG11 VAL 40 -14.474 6.150 -5.528
288 HG12 VAL 40 HG12 VAL 40 -15.305 6.950 -4.194
289 HG13 VAL 40 HG13 VAL 40 -15.113 5.197 -4.189
290 HG21 VAL 40 HG21 VAL 40 -12.286 8.037 -4.365
291 HG22 VAL 40 HG22 VAL 40 -12.556 6.847 -5.639
292 HG23 VAL 40 HG23 VAL 40 -11.321 6.561 -4.413
293 H LYS 41 HN LYS 41 -12.791 5.298 -0.724
294 HA LYS 41 HA LYS 41 -15.218 3.936 -0.310
295 HB2 LYS 41 HB2 LYS 41 -12.656 3.404 0.312
296 HB3 LYS 41 HB1 LYS 41 -13.221 3.953 1.884
297 HG2 LYS 41 HG2 LYS 41 -14.455 1.736 0.262
298 HG3 LYS 41 HG1 LYS 41 -13.375 1.525 1.641
299 HD2 LYS 41 HD2 LYS 41 -15.253 1.443 2.862
300 HD3 LYS 41 HD1 LYS 41 -15.289 3.195 2.657
301 HE2 LYS 41 HE2 LYS 41 -16.752 2.996 0.759
302 HE3 LYS 41 HE1 LYS 41 -16.609 1.239 0.782
303 HZ1 LYS 41 HZ1 LYS 41 -17.661 2.693 3.123
304 HZ2 LYS 41 HZ2 LYS 41 -17.898 1.077 2.683
305 HZ3 LYS 41 HZ3 LYS 41 -18.672 2.310 1.821
306 H ASP 42 HN ASP 42 -13.755 6.696 1.277
307 HA ASP 42 HA ASP 42 -15.525 6.747 3.506
308 HB2 ASP 42 HB2 ASP 42 -13.185 7.993 2.946
309 HB3 ASP 42 HB1 ASP 42 -14.321 9.298 2.616
310 H VAL 43 HN VAL 43 -15.497 8.296 0.344
311 HA VAL 43 HA VAL 43 -17.855 9.859 0.874
312 HB VAL 43 HB VAL 43 -16.605 9.284 -1.813
313 HG11 VAL 43 HG11 VAL 43 -17.585 11.691 -2.132
314 HG12 VAL 43 HG12 VAL 43 -18.632 11.219 -0.794
315 HG13 VAL 43 HG13 VAL 43 -18.625 10.275 -2.283
316 HG21 VAL 43 HG21 VAL 43 -15.937 11.411 0.215
317 HG22 VAL 43 HG22 VAL 43 -15.439 11.473 -1.476
318 HG23 VAL 43 HG23 VAL 43 -14.866 10.170 -0.435
319 H LEU 44 HN LEU 44 -17.093 6.785 -0.610
320 HA LEU 44 HA LEU 44 -19.514 6.360 -1.968
321 HB2 LEU 44 HB2 LEU 44 -17.332 5.047 -2.146
322 HB3 LEU 44 HB1 LEU 44 -17.856 4.187 -0.711
323 HG LEU 44 HG LEU 44 -19.743 4.295 -3.007
324 HD11 LEU 44 HD11 LEU 44 -17.103 2.922 -3.030
325 HD12 LEU 44 HD12 LEU 44 -17.995 3.679 -4.350
326 HD13 LEU 44 HD13 LEU 44 -18.497 2.103 -3.736
327 HD21 LEU 44 HD21 LEU 44 -19.156 2.586 -0.668
328 HD22 LEU 44 HD22 LEU 44 -19.742 1.771 -2.118
329 HD23 LEU 44 HD23 LEU 44 -20.702 3.052 -1.377
330 H ASP 45 HN ASP 45 -18.627 6.031 1.381
331 HA ASP 45 HA ASP 45 -20.676 4.337 2.259
332 HB2 ASP 45 HB2 ASP 45 -18.563 5.540 3.460
333 HB3 ASP 45 HB1 ASP 45 -19.884 6.520 4.091
334 H SER 46 HN SER 46 -20.666 7.734 1.470
335 HA SER 46 HA SER 46 -23.258 8.217 2.660
336 HB2 SER 46 HB2 SER 46 -21.265 9.876 1.159
337 HB3 SER 46 HB1 SER 46 -22.927 10.445 1.304
338 HG SER 46 HG SER 46 -21.152 10.895 3.028
339 H VAL 47 HN VAL 47 -21.917 7.540 -0.502
340 HA VAL 47 HA VAL 47 -24.250 8.194 -1.992
341 HB VAL 47 HB VAL 47 -22.079 6.258 -2.800
342 HG11 VAL 47 HG11 VAL 47 -23.948 7.974 -4.433
343 HG12 VAL 47 HG12 VAL 47 -24.073 6.229 -4.210
344 HG13 VAL 47 HG13 VAL 47 -22.694 6.911 -5.072
345 HG21 VAL 47 HG21 VAL 47 -22.113 9.235 -2.678
346 HG22 VAL 47 HG22 VAL 47 -21.274 8.447 -4.015
347 HG23 VAL 47 HG23 VAL 47 -20.797 8.107 -2.351
348 H LEU 48 HN LEU 48 -23.080 5.287 -0.414
349 HA LEU 48 HA LEU 48 -24.041 3.270 0.009
350 HB2 LEU 48 HB2 LEU 48 -25.938 5.135 0.544
351 HB3 LEU 48 HB1 LEU 48 -26.773 4.162 -0.653
352 HG LEU 48 HG LEU 48 -25.454 2.704 1.570
353 HD11 LEU 48 HD11 LEU 48 -27.278 3.105 3.100
354 HD12 LEU 48 HD12 LEU 48 -28.041 4.203 1.951
355 HD13 LEU 48 HD13 LEU 48 -26.500 4.634 2.692
356 HD21 LEU 48 HD21 LEU 48 -27.606 1.414 1.377
357 HD22 LEU 48 HD22 LEU 48 -26.585 1.404 -0.061
358 HD23 LEU 48 HD23 LEU 48 -28.010 2.442 0.002
Start of MODEL 14
1 H1 SER 1 HT1 SER 1 11.445 -25.197 3.315
2 H2 SER 1 HT2 SER 1 10.239 -26.045 2.437
3 H3 SER 1 HT3 SER 1 9.847 -25.289 3.927
4 HA SER 1 HA SER 1 10.052 -23.183 3.055
5 HB2 SER 1 HB2 SER 1 11.087 -24.419 0.496
6 HB3 SER 1 HB1 SER 1 11.056 -22.710 0.928
7 HG SER 1 HG SER 1 13.128 -23.803 1.184
8 H SER 2 HN SER 2 8.857 -22.235 1.001
9 HA SER 2 HA SER 2 6.953 -23.926 -0.277
10 HB2 SER 2 HB2 SER 2 6.200 -22.557 2.245
11 HB3 SER 2 HB1 SER 2 5.040 -22.450 0.921
12 HG SER 2 HG SER 2 5.009 -24.705 0.828
13 H LEU 3 HN LEU 3 5.144 -22.458 -1.289
14 HA LEU 3 HA LEU 3 6.434 -20.602 -2.958
15 HB2 LEU 3 HB2 LEU 3 3.604 -21.389 -2.458
16 HB3 LEU 3 HB1 LEU 3 3.907 -19.921 -3.367
17 HG LEU 3 HG LEU 3 5.526 -22.056 -4.416
18 HD11 LEU 3 HD11 LEU 3 2.584 -22.619 -4.128
19 HD12 LEU 3 HD12 LEU 3 3.937 -23.625 -3.610
20 HD13 LEU 3 HD13 LEU 3 3.613 -23.399 -5.329
21 HD21 LEU 3 HD21 LEU 3 3.232 -21.027 -5.949
22 HD22 LEU 3 HD22 LEU 3 4.940 -21.122 -6.380
23 HD23 LEU 3 HD23 LEU 3 4.362 -19.811 -5.351
24 H LEU 4 HN LEU 4 4.806 -20.247 0.095
25 HA LEU 4 HA LEU 4 4.417 -17.425 -0.061
26 HB2 LEU 4 HB2 LEU 4 4.614 -19.118 2.426
27 HB3 LEU 4 HB1 LEU 4 3.854 -17.545 2.276
28 HG LEU 4 HG LEU 4 2.789 -19.714 0.553
29 HD11 LEU 4 HD11 LEU 4 1.777 -19.595 3.345
30 HD12 LEU 4 HD12 LEU 4 3.239 -20.525 3.020
31 HD13 LEU 4 HD13 LEU 4 1.739 -20.919 2.182
32 HD21 LEU 4 HD21 LEU 4 0.653 -18.592 1.256
33 HD22 LEU 4 HD22 LEU 4 1.781 -17.571 0.364
34 HD23 LEU 4 HD23 LEU 4 1.642 -17.410 2.114
35 H GLU 5 HN GLU 5 7.033 -19.500 0.949
36 HA GLU 5 HA GLU 5 8.504 -17.422 2.287
37 HB2 GLU 5 HB2 GLU 5 8.939 -20.288 1.630
38 HB3 GLU 5 HB1 GLU 5 10.375 -19.298 1.854
39 HG2 GLU 5 HG2 GLU 5 8.164 -19.347 3.876
40 HG3 GLU 5 HG1 GLU 5 9.457 -20.545 3.876
41 H LYS 6 HN LYS 6 8.266 -18.756 -0.899
42 HA LYS 6 HA LYS 6 10.625 -17.355 -1.840
43 HB2 LYS 6 HB2 LYS 6 9.989 -19.683 -2.584
44 HB3 LYS 6 HB1 LYS 6 8.642 -18.958 -3.451
45 HG2 LYS 6 HG2 LYS 6 10.441 -19.341 -4.973
46 HG3 LYS 6 HG1 LYS 6 10.250 -17.604 -4.737
47 HD2 LYS 6 HD2 LYS 6 12.056 -18.335 -2.774
48 HD3 LYS 6 HD1 LYS 6 12.523 -19.325 -4.159
49 HE2 LYS 6 HE2 LYS 6 13.678 -17.511 -4.798
50 HE3 LYS 6 HE1 LYS 6 12.111 -16.907 -5.336
51 HZ1 LYS 6 HZ1 LYS 6 12.667 -15.184 -4.025
52 HZ2 LYS 6 HZ2 LYS 6 13.736 -16.086 -3.074
53 HZ3 LYS 6 HZ3 LYS 6 12.072 -16.168 -2.784
54 H GLY 7 HN GLY 7 7.135 -17.116 -1.965
55 HA2 GLY 7 HA2 GLY 7 7.119 -15.068 -3.992
56 HA3 GLY 7 HA1 GLY 7 5.743 -15.610 -3.043
57 H LEU 8 HN LEU 8 6.793 -15.146 -0.467
58 HA LEU 8 HA LEU 8 6.291 -12.341 -0.244
59 HB2 LEU 8 HB2 LEU 8 5.769 -14.324 1.405
60 HB3 LEU 8 HB1 LEU 8 7.376 -13.972 2.012
61 HG LEU 8 HG LEU 8 5.335 -11.788 1.773
62 HD11 LEU 8 HD11 LEU 8 4.256 -13.575 3.033
63 HD12 LEU 8 HD12 LEU 8 4.665 -12.217 4.080
64 HD13 LEU 8 HD13 LEU 8 5.656 -13.676 4.101
65 HD21 LEU 8 HD21 LEU 8 7.867 -12.255 3.307
66 HD22 LEU 8 HD22 LEU 8 6.691 -11.047 3.828
67 HD23 LEU 8 HD23 LEU 8 7.444 -10.917 2.238
68 H ASP 9 HN ASP 9 9.104 -14.399 -0.229
69 HA ASP 9 HA ASP 9 10.945 -12.618 0.903
70 HB2 ASP 9 HB2 ASP 9 11.086 -15.085 -0.720
71 HB3 ASP 9 HB1 ASP 9 12.510 -14.051 -0.780
72 H GLY 10 HN GLY 10 9.653 -12.894 -2.332
73 HA2 GLY 10 HA2 GLY 10 11.592 -11.184 -3.565
74 HA3 GLY 10 HA1 GLY 10 10.067 -11.710 -4.265
75 H ALA 11 HN ALA 11 8.493 -10.757 -2.018
76 HA ALA 11 HA ALA 11 8.090 -8.100 -2.935
77 HB1 ALA 11 HB1 ALA 11 6.408 -9.876 -1.957
78 HB2 ALA 11 HB2 ALA 11 6.114 -8.144 -1.797
79 HB3 ALA 11 HB3 ALA 11 6.790 -9.052 -0.445
80 H LYS 12 HN LYS 12 8.869 -9.379 0.277
81 HA LYS 12 HA LYS 12 9.336 -6.949 1.540
82 HB2 LYS 12 HB2 LYS 12 10.137 -9.768 2.073
83 HB3 LYS 12 HB1 LYS 12 10.895 -8.492 3.016
84 HG2 LYS 12 HG2 LYS 12 7.977 -8.294 2.820
85 HG3 LYS 12 HG1 LYS 12 8.571 -9.727 3.662
86 HD2 LYS 12 HD2 LYS 12 9.867 -8.341 5.170
87 HD3 LYS 12 HD1 LYS 12 9.386 -6.890 4.288
88 HE2 LYS 12 HE2 LYS 12 8.038 -7.060 6.263
89 HE3 LYS 12 HE1 LYS 12 7.022 -7.397 4.862
90 HZ1 LYS 12 HZ1 LYS 12 6.485 -9.021 6.439
91 HZ2 LYS 12 HZ2 LYS 12 8.102 -9.316 6.838
92 HZ3 LYS 12 HZ3 LYS 12 7.496 -9.819 5.342
93 H LYS 13 HN LYS 13 11.344 -8.556 -0.756
94 HA LYS 13 HA LYS 13 13.739 -7.171 0.163
95 HB2 LYS 13 HB2 LYS 13 14.896 -8.413 -1.599
96 HB3 LYS 13 HB1 LYS 13 13.948 -9.493 -0.583
97 HG2 LYS 13 HG2 LYS 13 13.205 -10.320 -2.523
98 HG3 LYS 13 HG1 LYS 13 12.163 -8.893 -2.532
99 HD2 LYS 13 HD2 LYS 13 13.144 -8.153 -4.380
100 HD3 LYS 13 HD1 LYS 13 14.717 -8.172 -3.581
101 HE2 LYS 13 HE2 LYS 13 14.631 -10.729 -4.077
102 HE3 LYS 13 HE1 LYS 13 13.426 -10.268 -5.279
103 HZ1 LYS 13 HZ1 LYS 13 16.284 -9.556 -5.163
104 HZ2 LYS 13 HZ2 LYS 13 15.197 -8.586 -6.022
105 HZ3 LYS 13 HZ3 LYS 13 15.401 -10.209 -6.450
106 H ALA 14 HN ALA 14 11.988 -7.434 -2.946
107 HA ALA 14 HA ALA 14 13.282 -5.136 -4.029
108 HB1 ALA 14 HB1 ALA 14 12.686 -6.553 -5.725
109 HB2 ALA 14 HB2 ALA 14 11.298 -5.466 -5.742
110 HB3 ALA 14 HB3 ALA 14 11.180 -7.033 -4.943
111 H VAL 15 HN VAL 15 10.114 -5.901 -2.716
112 HA VAL 15 HA VAL 15 9.239 -3.199 -3.032
113 HB VAL 15 HB VAL 15 7.728 -5.236 -1.449
114 HG11 VAL 15 HG11 VAL 15 7.182 -2.661 -1.870
115 HG12 VAL 15 HG12 VAL 15 5.927 -3.891 -1.725
116 HG13 VAL 15 HG13 VAL 15 6.442 -3.341 -3.320
117 HG21 VAL 15 HG21 VAL 15 8.434 -6.272 -3.597
118 HG22 VAL 15 HG22 VAL 15 7.627 -4.959 -4.452
119 HG23 VAL 15 HG23 VAL 15 6.688 -6.071 -3.457
120 H GLY 16 HN GLY 16 9.695 -5.370 -0.270
121 HA2 GLY 16 HA2 GLY 16 9.173 -3.653 1.804
122 HA3 GLY 16 HA1 GLY 16 10.372 -4.933 1.887
123 H GLY 17 HN GLY 17 12.310 -4.046 0.165
124 HA2 GLY 17 HA2 GLY 17 13.670 -2.145 1.764
125 HA3 GLY 17 HA1 GLY 17 14.195 -2.732 0.193
126 H LEU 18 HN LEU 18 11.640 -1.834 -1.049
127 HA LEU 18 HA LEU 18 12.486 0.885 -1.568
128 HB2 LEU 18 HB2 LEU 18 11.214 -1.150 -3.045
129 HB3 LEU 18 HB1 LEU 18 10.057 0.162 -2.924
130 HG LEU 18 HG LEU 18 12.786 0.981 -3.678
131 HD11 LEU 18 HD11 LEU 18 12.789 0.136 -5.858
132 HD12 LEU 18 HD12 LEU 18 11.111 -0.396 -5.751
133 HD13 LEU 18 HD13 LEU 18 12.366 -1.247 -4.850
134 HD21 LEU 18 HD21 LEU 18 11.565 2.412 -5.205
135 HD22 LEU 18 HD22 LEU 18 10.865 2.513 -3.590
136 HD23 LEU 18 HD23 LEU 18 10.065 1.561 -4.840
137 H GLY 19 HN GLY 19 9.702 -0.784 -0.197
138 HA2 GLY 19 HA2 GLY 19 8.226 1.665 0.213
139 HA3 GLY 19 HA1 GLY 19 7.757 0.060 0.747
140 H LYS 20 HN LYS 20 10.646 0.024 1.938
141 HA LYS 20 HA LYS 20 9.808 0.960 4.545
142 HB2 LYS 20 HB2 LYS 20 12.121 -0.683 3.574
143 HB3 LYS 20 HB1 LYS 20 12.089 -0.039 5.211
144 HG2 LYS 20 HG2 LYS 20 9.773 -1.615 4.178
145 HG3 LYS 20 HG1 LYS 20 11.225 -2.436 4.759
146 HD2 LYS 20 HD2 LYS 20 11.011 -1.222 6.901
147 HD3 LYS 20 HD1 LYS 20 9.516 -0.493 6.313
148 HE2 LYS 20 HE2 LYS 20 8.469 -2.241 7.220
149 HE3 LYS 20 HE1 LYS 20 9.121 -3.187 5.883
150 HZ1 LYS 20 HZ1 LYS 20 10.765 -4.070 7.189
151 HZ2 LYS 20 HZ2 LYS 20 9.519 -3.929 8.324
152 HZ3 LYS 20 HZ3 LYS 20 10.761 -2.782 8.287
153 H LEU 21 HN LEU 21 12.704 1.334 2.574
154 HA LEU 21 HA LEU 21 13.482 3.714 4.010
155 HB2 LEU 21 HB2 LEU 21 14.658 2.517 1.496
156 HB3 LEU 21 HB1 LEU 21 15.380 3.793 2.457
157 HG LEU 21 HG LEU 21 14.838 1.060 3.592
158 HD11 LEU 21 HD11 LEU 21 17.481 1.013 3.189
159 HD12 LEU 21 HD12 LEU 21 16.993 1.960 1.783
160 HD13 LEU 21 HD13 LEU 21 16.320 0.350 2.039
161 HD21 LEU 21 HD21 LEU 21 15.968 1.753 5.420
162 HD22 LEU 21 HD22 LEU 21 15.453 3.346 4.863
163 HD23 LEU 21 HD23 LEU 21 17.074 2.762 4.488
164 H GLY 22 HN GLY 22 11.463 2.874 1.548
165 HA2 GLY 22 HA2 GLY 22 11.401 5.599 0.443
166 HA3 GLY 22 HA1 GLY 22 10.892 4.155 -0.427
167 H LYS 23 HN LYS 23 10.068 4.039 2.831
168 HA LYS 23 HA LYS 23 7.336 3.875 2.400
169 HB2 LYS 23 HB2 LYS 23 8.880 3.258 4.468
170 HB3 LYS 23 HB1 LYS 23 8.339 4.828 5.044
171 HG2 LYS 23 HG2 LYS 23 6.314 4.062 5.567
172 HG3 LYS 23 HG1 LYS 23 6.159 3.182 4.045
173 HD2 LYS 23 HD2 LYS 23 8.117 1.885 5.675
174 HD3 LYS 23 HD1 LYS 23 6.655 2.143 6.630
175 HE2 LYS 23 HE2 LYS 23 5.484 1.237 4.449
176 HE3 LYS 23 HE1 LYS 23 7.065 0.506 4.175
177 HZ1 LYS 23 HZ1 LYS 23 6.874 -0.813 6.033
178 HZ2 LYS 23 HZ2 LYS 23 5.273 -0.784 5.488
179 HZ3 LYS 23 HZ3 LYS 23 5.741 0.194 6.785
180 H ASP 24 HN ASP 24 9.412 6.582 3.176
181 HA ASP 24 HA ASP 24 7.497 8.469 3.911
182 HB2 ASP 24 HB2 ASP 24 10.169 8.515 3.792
183 HB3 ASP 24 HB1 ASP 24 9.822 9.394 2.306
184 H ALA 25 HN ALA 25 8.604 7.446 0.738
185 HA ALA 25 HA ALA 25 7.114 9.471 -0.670
186 HB1 ALA 25 HB1 ALA 25 7.772 8.205 -2.692
187 HB2 ALA 25 HB2 ALA 25 8.498 6.976 -1.655
188 HB3 ALA 25 HB3 ALA 25 9.146 8.616 -1.666
189 H VAL 26 HN VAL 26 6.855 6.021 -0.086
190 HA VAL 26 HA VAL 26 4.584 5.366 -1.498
191 HB VAL 26 HB VAL 26 5.609 4.389 1.146
192 HG11 VAL 26 HG11 VAL 26 4.200 2.323 0.618
193 HG12 VAL 26 HG12 VAL 26 3.322 3.354 -0.511
194 HG13 VAL 26 HG13 VAL 26 3.342 3.746 1.208
195 HG21 VAL 26 HG21 VAL 26 5.803 3.265 -1.644
196 HG22 VAL 26 HG22 VAL 26 6.408 2.476 -0.187
197 HG23 VAL 26 HG23 VAL 26 7.105 4.008 -0.715
198 H GLU 27 HN GLU 27 4.887 7.101 1.521
199 HA GLU 27 HA GLU 27 2.169 6.900 2.334
200 HB2 GLU 27 HB2 GLU 27 4.468 8.692 3.042
201 HB3 GLU 27 HB1 GLU 27 2.858 9.010 3.669
202 HG2 GLU 27 HG2 GLU 27 2.873 6.655 4.571
203 HG3 GLU 27 HG1 GLU 27 4.587 6.603 4.158
204 H ASP 28 HN ASP 28 4.134 9.391 0.807
205 HA ASP 28 HA ASP 28 1.910 11.069 0.247
206 HB2 ASP 28 HB2 ASP 28 4.639 11.441 0.299
207 HB3 ASP 28 HB1 ASP 28 4.287 11.466 -1.426
208 H LEU 29 HN LEU 29 2.987 8.187 -1.035
209 HA LEU 29 HA LEU 29 1.889 8.771 -3.696
210 HB2 LEU 29 HB2 LEU 29 3.578 6.485 -2.692
211 HB3 LEU 29 HB1 LEU 29 2.872 6.540 -4.295
212 HG LEU 29 HG LEU 29 4.717 8.702 -3.318
213 HD11 LEU 29 HD11 LEU 29 5.747 6.387 -3.173
214 HD12 LEU 29 HD12 LEU 29 6.590 7.568 -4.175
215 HD13 LEU 29 HD13 LEU 29 5.594 6.323 -4.928
216 HD21 LEU 29 HD21 LEU 29 3.131 8.652 -5.479
217 HD22 LEU 29 HD22 LEU 29 4.556 7.850 -6.141
218 HD23 LEU 29 HD23 LEU 29 4.696 9.465 -5.446
219 H GLU 30 HN GLU 30 1.079 7.494 -0.718
220 HA GLU 30 HA GLU 30 -0.657 5.421 -1.663
221 HB2 GLU 30 HB2 GLU 30 0.491 6.151 0.824
222 HB3 GLU 30 HB1 GLU 30 -1.254 6.168 1.031
223 HG2 GLU 30 HG2 GLU 30 -0.886 3.841 -0.330
224 HG3 GLU 30 HG1 GLU 30 0.577 3.923 0.650
225 H SER 31 HN SER 31 -0.906 8.781 -0.770
226 HA SER 31 HA SER 31 -3.806 8.679 -0.820
227 HB2 SER 31 HB2 SER 31 -1.791 10.697 0.038
228 HB3 SER 31 HB1 SER 31 -3.376 11.281 -0.469
229 HG SER 31 HG SER 31 -3.910 10.803 1.510
230 H VAL 32 HN VAL 32 -1.363 9.070 -3.037
231 HA VAL 32 HA VAL 32 -2.517 11.013 -4.723
232 HB VAL 32 HB VAL 32 -0.718 8.756 -5.614
233 HG11 VAL 32 HG11 VAL 32 -0.486 11.492 -6.700
234 HG12 VAL 32 HG12 VAL 32 -1.957 10.615 -7.119
235 HG13 VAL 32 HG13 VAL 32 -0.379 9.934 -7.518
236 HG21 VAL 32 HG21 VAL 32 0.258 9.832 -3.651
237 HG22 VAL 32 HG22 VAL 32 0.089 11.406 -4.425
238 HG23 VAL 32 HG23 VAL 32 1.178 10.198 -5.108
239 H GLY 33 HN GLY 33 -2.093 8.514 -6.747
240 HA2 GLY 33 HA2 GLY 33 -4.765 8.349 -7.555
241 HA3 GLY 33 HA1 GLY 33 -3.497 7.227 -8.026
242 H LYS 34 HN LYS 34 -2.977 6.523 -5.184
243 HA LYS 34 HA LYS 34 -4.857 4.369 -5.019
244 HB2 LYS 34 HB2 LYS 34 -2.620 5.264 -3.200
245 HB3 LYS 34 HB1 LYS 34 -3.607 3.843 -2.888
246 HG2 LYS 34 HG2 LYS 34 -1.969 4.255 -5.378
247 HG3 LYS 34 HG1 LYS 34 -1.429 3.350 -3.963
248 HD2 LYS 34 HD2 LYS 34 -4.051 2.494 -4.866
249 HD3 LYS 34 HD1 LYS 34 -2.835 2.348 -6.137
250 HE2 LYS 34 HE2 LYS 34 -2.987 0.297 -4.826
251 HE3 LYS 34 HE1 LYS 34 -1.409 1.059 -4.632
252 HZ1 LYS 34 HZ1 LYS 34 -3.668 1.216 -2.709
253 HZ2 LYS 34 HZ2 LYS 34 -2.174 1.988 -2.525
254 HZ3 LYS 34 HZ3 LYS 34 -2.259 0.299 -2.516
255 H GLY 35 HN GLY 35 -4.450 7.469 -3.456
256 HA2 GLY 35 HA2 GLY 35 -6.407 6.897 -1.400
257 HA3 GLY 35 HA1 GLY 35 -5.590 8.428 -1.668
258 H ALA 36 HN ALA 36 -6.643 7.706 -4.635
259 HA ALA 36 HA ALA 36 -8.821 9.548 -4.507
260 HB1 ALA 36 HB1 ALA 36 -7.101 8.883 -6.460
261 HB2 ALA 36 HB2 ALA 36 -8.663 9.644 -6.761
262 HB3 ALA 36 HB3 ALA 36 -8.486 7.898 -6.933
263 H VAL 37 HN VAL 37 -8.473 6.105 -4.445
264 HA VAL 37 HA VAL 37 -11.161 5.487 -5.159
265 HB VAL 37 HB VAL 37 -9.217 3.746 -3.642
266 HG11 VAL 37 HG11 VAL 37 -11.852 3.310 -4.035
267 HG12 VAL 37 HG12 VAL 37 -10.649 2.026 -3.911
268 HG13 VAL 37 HG13 VAL 37 -11.185 2.582 -5.497
269 HG21 VAL 37 HG21 VAL 37 -9.580 3.292 -6.521
270 HG22 VAL 37 HG22 VAL 37 -8.119 3.232 -5.536
271 HG23 VAL 37 HG23 VAL 37 -8.736 4.783 -6.105
272 H HIS 38 HN HIS 38 -9.364 5.574 -2.117
273 HA HIS 38 HA HIS 38 -11.646 5.026 -0.493
274 HB2 HIS 38 HB2 HIS 38 -9.366 4.492 0.257
275 HB3 HIS 38 HB1 HIS 38 -8.960 6.205 0.258
276 HD1 HIS 38 HD1 HIS 38 -10.396 3.561 2.340
277 HD2 HIS 38 HD2 HIS 38 -10.382 7.716 2.288
278 HE1 HIS 38 HE1 HIS 38 -11.156 4.265 4.632
279 HE2 HIS 38 HE2 HIS 38 -11.058 6.782 4.604
280 H ASP 39 HN ASP 39 -10.324 7.847 -1.960
281 HA ASP 39 HA ASP 39 -11.200 9.848 -0.217
282 HB2 ASP 39 HB2 ASP 39 -9.709 10.296 -2.111
283 HB3 ASP 39 HB1 ASP 39 -11.011 9.930 -3.237
284 H VAL 40 HN VAL 40 -12.942 7.931 -2.559
285 HA VAL 40 HA VAL 40 -15.264 9.521 -2.745
286 HB VAL 40 HB VAL 40 -15.144 6.518 -3.016
287 HG11 VAL 40 HG11 VAL 40 -16.935 8.478 -4.432
288 HG12 VAL 40 HG12 VAL 40 -17.383 7.674 -2.928
289 HG13 VAL 40 HG13 VAL 40 -17.072 6.721 -4.379
290 HG21 VAL 40 HG21 VAL 40 -14.077 8.667 -4.734
291 HG22 VAL 40 HG22 VAL 40 -14.988 7.397 -5.552
292 HG23 VAL 40 HG23 VAL 40 -13.577 6.983 -4.578
293 H LYS 41 HN LYS 41 -14.271 7.001 -0.505
294 HA LYS 41 HA LYS 41 -16.720 6.571 0.778
295 HB2 LYS 41 HB2 LYS 41 -13.921 5.945 1.262
296 HB3 LYS 41 HB1 LYS 41 -14.784 6.271 2.759
297 HG2 LYS 41 HG2 LYS 41 -16.039 4.442 0.784
298 HG3 LYS 41 HG1 LYS 41 -14.669 3.854 1.729
299 HD2 LYS 41 HD2 LYS 41 -15.807 4.254 3.779
300 HD3 LYS 41 HD1 LYS 41 -17.088 5.154 2.965
301 HE2 LYS 41 HE2 LYS 41 -17.895 2.954 3.529
302 HE3 LYS 41 HE1 LYS 41 -17.735 3.086 1.778
303 HZ1 LYS 41 HZ1 LYS 41 -15.569 1.948 1.983
304 HZ2 LYS 41 HZ2 LYS 41 -16.869 0.989 2.484
305 HZ3 LYS 41 HZ3 LYS 41 -15.865 1.718 3.633
306 H ASP 42 HN ASP 42 -14.297 9.068 1.188
307 HA ASP 42 HA ASP 42 -15.388 10.122 3.609
308 HB2 ASP 42 HB2 ASP 42 -13.010 10.428 2.847
309 HB3 ASP 42 HB1 ASP 42 -13.608 11.541 1.621
310 H VAL 43 HN VAL 43 -15.806 10.779 0.187
311 HA VAL 43 HA VAL 43 -17.411 13.129 0.616
312 HB VAL 43 HB VAL 43 -17.142 11.503 -1.915
313 HG11 VAL 43 HG11 VAL 43 -17.910 14.390 -1.497
314 HG12 VAL 43 HG12 VAL 43 -19.032 13.077 -1.854
315 HG13 VAL 43 HG13 VAL 43 -17.814 13.543 -3.041
316 HG21 VAL 43 HG21 VAL 43 -15.058 12.685 -0.629
317 HG22 VAL 43 HG22 VAL 43 -15.611 13.995 -1.672
318 HG23 VAL 43 HG23 VAL 43 -15.153 12.443 -2.373
319 H LEU 44 HN LEU 44 -17.938 9.713 0.103
320 HA LEU 44 HA LEU 44 -20.703 9.865 -0.490
321 HB2 LEU 44 HB2 LEU 44 -18.739 7.847 -0.279
322 HB3 LEU 44 HB1 LEU 44 -20.029 7.401 0.822
323 HG LEU 44 HG LEU 44 -20.519 8.097 -2.069
324 HD11 LEU 44 HD11 LEU 44 -19.579 5.586 -0.821
325 HD12 LEU 44 HD12 LEU 44 -19.324 6.212 -2.450
326 HD13 LEU 44 HD13 LEU 44 -20.859 5.453 -2.027
327 HD21 LEU 44 HD21 LEU 44 -22.679 7.549 -1.711
328 HD22 LEU 44 HD22 LEU 44 -22.288 7.992 -0.050
329 HD23 LEU 44 HD23 LEU 44 -22.280 6.296 -0.535
330 H ASP 45 HN ASP 45 -18.870 9.827 2.472
331 HA ASP 45 HA ASP 45 -21.004 9.148 4.216
332 HB2 ASP 45 HB2 ASP 45 -18.226 10.060 4.471
333 HB3 ASP 45 HB1 ASP 45 -19.278 10.627 5.764
334 H SER 46 HN SER 46 -19.932 12.122 2.753
335 HA SER 46 HA SER 46 -21.548 13.785 4.482
336 HB2 SER 46 HB2 SER 46 -19.396 14.607 3.572
337 HB3 SER 46 HB1 SER 46 -20.065 14.508 1.943
338 HG SER 46 HG SER 46 -20.615 16.503 2.377
339 H VAL 47 HN VAL 47 -21.774 12.295 1.335
340 HA VAL 47 HA VAL 47 -24.081 13.806 0.515
341 HB VAL 47 HB VAL 47 -23.044 11.223 -0.658
342 HG11 VAL 47 HG11 VAL 47 -25.021 11.428 -1.733
343 HG12 VAL 47 HG12 VAL 47 -24.116 12.580 -2.715
344 HG13 VAL 47 HG13 VAL 47 -25.145 13.157 -1.404
345 HG21 VAL 47 HG21 VAL 47 -22.428 13.750 -2.021
346 HG22 VAL 47 HG22 VAL 47 -21.428 12.319 -1.772
347 HG23 VAL 47 HG23 VAL 47 -21.594 13.514 -0.486
348 H LEU 48 HN LEU 48 -23.459 10.766 2.120
349 HA LEU 48 HA LEU 48 -26.367 10.350 2.351
350 HB2 LEU 48 HB2 LEU 48 -24.336 8.579 1.365
351 HB3 LEU 48 HB1 LEU 48 -25.045 7.895 2.814
352 HG LEU 48 HG LEU 48 -26.776 8.884 0.569
353 HD11 LEU 48 HD11 LEU 48 -25.343 6.257 0.801
354 HD12 LEU 48 HD12 LEU 48 -25.419 7.356 -0.577
355 HD13 LEU 48 HD13 LEU 48 -26.844 6.430 -0.108
356 HD21 LEU 48 HD21 LEU 48 -28.465 7.692 1.582
357 HD22 LEU 48 HD22 LEU 48 -27.544 8.246 2.980
358 HD23 LEU 48 HD23 LEU 48 -27.350 6.594 2.395
Start of MODEL 15
1 H1 SER 1 HT1 SER 1 13.236 -25.498 0.864
2 H2 SER 1 HT2 SER 1 12.208 -26.631 0.087
3 H3 SER 1 HT3 SER 1 11.588 -25.611 1.319
4 HA SER 1 HA SER 1 12.243 -23.709 -0.131
5 HB2 SER 1 HB2 SER 1 13.497 -25.647 -1.560
6 HB3 SER 1 HB1 SER 1 11.979 -25.532 -2.450
7 HG SER 1 HG SER 1 13.213 -24.006 -3.365
8 H SER 2 HN SER 2 10.439 -22.637 -0.759
9 HA SER 2 HA SER 2 8.113 -24.034 -1.740
10 HB2 SER 2 HB2 SER 2 8.221 -24.003 0.929
11 HB3 SER 2 HB1 SER 2 7.541 -22.395 0.680
12 HG SER 2 HG SER 2 6.488 -24.827 -0.340
13 H LEU 3 HN LEU 3 6.231 -22.390 -1.964
14 HA LEU 3 HA LEU 3 7.111 -20.295 -3.612
15 HB2 LEU 3 HB2 LEU 3 4.775 -19.577 -3.650
16 HB3 LEU 3 HB1 LEU 3 4.921 -21.311 -3.870
17 HG LEU 3 HG LEU 3 4.546 -21.216 -1.197
18 HD11 LEU 3 HD11 LEU 3 3.288 -19.480 -0.458
19 HD12 LEU 3 HD12 LEU 3 2.564 -19.184 -2.039
20 HD13 LEU 3 HD13 LEU 3 4.203 -18.628 -1.702
21 HD21 LEU 3 HD21 LEU 3 2.025 -21.454 -1.879
22 HD22 LEU 3 HD22 LEU 3 3.204 -22.680 -2.346
23 HD23 LEU 3 HD23 LEU 3 2.688 -21.463 -3.513
24 H LEU 4 HN LEU 4 6.411 -20.432 -0.201
25 HA LEU 4 HA LEU 4 6.223 -17.615 0.205
26 HB2 LEU 4 HB2 LEU 4 6.985 -19.664 2.275
27 HB3 LEU 4 HB1 LEU 4 6.226 -18.105 2.535
28 HG LEU 4 HG LEU 4 4.711 -20.005 0.850
29 HD11 LEU 4 HD11 LEU 4 4.454 -20.445 3.765
30 HD12 LEU 4 HD12 LEU 4 5.836 -21.184 2.956
31 HD13 LEU 4 HD13 LEU 4 4.198 -21.556 2.420
32 HD21 LEU 4 HD21 LEU 4 3.776 -17.854 1.386
33 HD22 LEU 4 HD22 LEU 4 4.029 -18.130 3.109
34 HD23 LEU 4 HD23 LEU 4 2.856 -19.104 2.224
35 H GLU 5 HN GLU 5 8.837 -19.925 0.115
36 HA GLU 5 HA GLU 5 10.772 -18.174 1.309
37 HB2 GLU 5 HB2 GLU 5 10.656 -20.877 0.870
38 HB3 GLU 5 HB1 GLU 5 11.777 -20.359 -0.382
39 HG2 GLU 5 HG2 GLU 5 12.462 -19.079 2.075
40 HG3 GLU 5 HG1 GLU 5 12.294 -20.813 2.346
41 H LYS 6 HN LYS 6 9.607 -18.884 -1.890
42 HA LYS 6 HA LYS 6 11.757 -17.371 -3.130
43 HB2 LYS 6 HB2 LYS 6 10.107 -19.506 -3.956
44 HB3 LYS 6 HB1 LYS 6 9.692 -18.136 -4.977
45 HG2 LYS 6 HG2 LYS 6 11.438 -19.521 -5.970
46 HG3 LYS 6 HG1 LYS 6 12.013 -17.887 -5.632
47 HD2 LYS 6 HD2 LYS 6 12.677 -19.125 -3.326
48 HD3 LYS 6 HD1 LYS 6 12.826 -20.468 -4.461
49 HE2 LYS 6 HE2 LYS 6 14.102 -18.569 -5.855
50 HE3 LYS 6 HE1 LYS 6 14.422 -17.987 -4.222
51 HZ1 LYS 6 HZ1 LYS 6 16.052 -19.635 -5.295
52 HZ2 LYS 6 HZ2 LYS 6 14.898 -20.812 -4.916
53 HZ3 LYS 6 HZ3 LYS 6 15.596 -19.886 -3.685
54 H GLY 7 HN GLY 7 8.354 -17.104 -2.372
55 HA2 GLY 7 HA2 GLY 7 7.910 -14.761 -3.968
56 HA3 GLY 7 HA1 GLY 7 6.823 -15.416 -2.754
57 H LEU 8 HN LEU 8 8.500 -15.350 -0.520
58 HA LEU 8 HA LEU 8 8.285 -12.588 0.187
59 HB2 LEU 8 HB2 LEU 8 8.118 -14.846 1.614
60 HB3 LEU 8 HB1 LEU 8 9.806 -14.473 1.905
61 HG LEU 8 HG LEU 8 8.804 -12.087 2.506
62 HD11 LEU 8 HD11 LEU 8 6.636 -11.997 3.141
63 HD12 LEU 8 HD12 LEU 8 6.596 -13.687 3.644
64 HD13 LEU 8 HD13 LEU 8 6.479 -13.273 1.933
65 HD21 LEU 8 HD21 LEU 8 8.603 -14.396 4.430
66 HD22 LEU 8 HD22 LEU 8 8.916 -12.702 4.808
67 HD23 LEU 8 HD23 LEU 8 10.126 -13.650 3.943
68 H ASP 9 HN ASP 9 10.852 -14.738 -0.786
69 HA ASP 9 HA ASP 9 13.049 -13.238 0.066
70 HB2 ASP 9 HB2 ASP 9 12.576 -15.413 -1.867
71 HB3 ASP 9 HB1 ASP 9 13.994 -14.421 -2.196
72 H GLY 10 HN GLY 10 11.142 -13.080 -2.893
73 HA2 GLY 10 HA2 GLY 10 12.799 -11.103 -4.138
74 HA3 GLY 10 HA1 GLY 10 11.202 -11.613 -4.670
75 H ALA 11 HN ALA 11 9.969 -11.080 -2.095
76 HA ALA 11 HA ALA 11 9.330 -8.349 -2.538
77 HB1 ALA 11 HB1 ALA 11 7.808 -10.232 -1.676
78 HB2 ALA 11 HB2 ALA 11 7.625 -8.620 -0.984
79 HB3 ALA 11 HB3 ALA 11 8.505 -9.866 -0.098
80 H LYS 12 HN LYS 12 10.658 -10.012 0.297
81 HA LYS 12 HA LYS 12 11.227 -7.773 1.826
82 HB2 LYS 12 HB2 LYS 12 11.921 -10.593 1.858
83 HB3 LYS 12 HB1 LYS 12 13.219 -9.592 2.493
84 HG2 LYS 12 HG2 LYS 12 11.450 -8.499 3.956
85 HG3 LYS 12 HG1 LYS 12 10.400 -9.837 3.486
86 HD2 LYS 12 HD2 LYS 12 11.290 -10.878 5.267
87 HD3 LYS 12 HD1 LYS 12 12.672 -11.155 4.206
88 HE2 LYS 12 HE2 LYS 12 12.332 -8.868 6.142
89 HE3 LYS 12 HE1 LYS 12 13.401 -10.255 6.343
90 HZ1 LYS 12 HZ1 LYS 12 14.808 -8.642 5.533
91 HZ2 LYS 12 HZ2 LYS 12 13.650 -7.977 4.494
92 HZ3 LYS 12 HZ3 LYS 12 14.381 -9.454 4.111
93 H LYS 13 HN LYS 13 12.882 -8.864 -0.996
94 HA LYS 13 HA LYS 13 15.283 -7.353 -0.294
95 HB2 LYS 13 HB2 LYS 13 16.282 -8.360 -2.278
96 HB3 LYS 13 HB1 LYS 13 15.572 -9.597 -1.248
97 HG2 LYS 13 HG2 LYS 13 14.672 -10.335 -3.164
98 HG3 LYS 13 HG1 LYS 13 13.492 -9.049 -2.881
99 HD2 LYS 13 HD2 LYS 13 14.071 -8.467 -4.989
100 HD3 LYS 13 HD1 LYS 13 15.379 -7.635 -4.146
101 HE2 LYS 13 HE2 LYS 13 16.594 -9.951 -4.422
102 HE3 LYS 13 HE1 LYS 13 15.441 -10.157 -5.740
103 HZ1 LYS 13 HZ1 LYS 13 17.573 -9.176 -6.444
104 HZ2 LYS 13 HZ2 LYS 13 17.268 -7.833 -5.462
105 HZ3 LYS 13 HZ3 LYS 13 16.252 -8.170 -6.772
106 H ALA 14 HN ALA 14 13.111 -7.593 -3.127
107 HA ALA 14 HA ALA 14 14.023 -5.124 -4.216
108 HB1 ALA 14 HB1 ALA 14 13.293 -6.663 -5.819
109 HB2 ALA 14 HB2 ALA 14 11.987 -5.480 -5.739
110 HB3 ALA 14 HB3 ALA 14 11.820 -7.036 -4.924
111 H VAL 15 HN VAL 15 11.181 -6.249 -2.482
112 HA VAL 15 HA VAL 15 10.045 -3.627 -2.492
113 HB VAL 15 HB VAL 15 9.005 -5.918 -0.861
114 HG11 VAL 15 HG11 VAL 15 7.849 -3.994 -0.278
115 HG12 VAL 15 HG12 VAL 15 6.821 -4.715 -1.517
116 HG13 VAL 15 HG13 VAL 15 7.875 -3.361 -1.924
117 HG21 VAL 15 HG21 VAL 15 9.410 -6.525 -3.302
118 HG22 VAL 15 HG22 VAL 15 8.159 -5.345 -3.688
119 HG23 VAL 15 HG23 VAL 15 7.772 -6.746 -2.690
120 H GLY 16 HN GLY 16 11.563 -5.778 -0.163
121 HA2 GLY 16 HA2 GLY 16 11.127 -4.165 2.121
122 HA3 GLY 16 HA1 GLY 16 12.350 -5.417 1.965
123 H GLY 17 HN GLY 17 13.671 -4.202 -0.309
124 HA2 GLY 17 HA2 GLY 17 15.350 -2.374 1.158
125 HA3 GLY 17 HA1 GLY 17 15.604 -2.934 -0.487
126 H LEU 18 HN LEU 18 13.054 -2.132 -1.510
127 HA LEU 18 HA LEU 18 13.630 0.679 -1.891
128 HB2 LEU 18 HB2 LEU 18 12.690 -1.298 -3.540
129 HB3 LEU 18 HB1 LEU 18 11.228 -0.403 -3.173
130 HG LEU 18 HG LEU 18 13.749 0.775 -4.347
131 HD11 LEU 18 HD11 LEU 18 11.225 0.790 -5.856
132 HD12 LEU 18 HD12 LEU 18 11.983 -0.790 -5.656
133 HD13 LEU 18 HD13 LEU 18 12.880 0.530 -6.406
134 HD21 LEU 18 HD21 LEU 18 11.908 2.630 -4.798
135 HD22 LEU 18 HD22 LEU 18 12.857 2.596 -3.312
136 HD23 LEU 18 HD23 LEU 18 11.219 1.942 -3.327
137 H GLY 19 HN GLY 19 10.945 -1.289 -0.697
138 HA2 GLY 19 HA2 GLY 19 9.200 0.872 -0.150
139 HA3 GLY 19 HA1 GLY 19 9.078 -0.744 0.524
140 H LYS 20 HN LYS 20 11.996 -0.148 1.482
141 HA LYS 20 HA LYS 20 11.166 0.815 4.081
142 HB2 LYS 20 HB2 LYS 20 13.586 -0.554 3.016
143 HB3 LYS 20 HB1 LYS 20 13.731 0.365 4.509
144 HG2 LYS 20 HG2 LYS 20 11.561 -1.664 4.185
145 HG3 LYS 20 HG1 LYS 20 13.198 -2.156 4.625
146 HD2 LYS 20 HD2 LYS 20 13.137 -0.726 6.579
147 HD3 LYS 20 HD1 LYS 20 11.548 -0.115 6.115
148 HE2 LYS 20 HE2 LYS 20 12.179 -2.989 6.778
149 HE3 LYS 20 HE1 LYS 20 11.438 -1.834 7.885
150 HZ1 LYS 20 HZ1 LYS 20 10.305 -2.925 5.374
151 HZ2 LYS 20 HZ2 LYS 20 9.648 -1.580 6.162
152 HZ3 LYS 20 HZ3 LYS 20 9.694 -3.079 6.945
153 H LEU 21 HN LEU 21 13.803 1.577 1.870
154 HA LEU 21 HA LEU 21 14.210 4.158 3.091
155 HB2 LEU 21 HB2 LEU 21 15.417 2.864 0.644
156 HB3 LEU 21 HB1 LEU 21 15.849 4.471 1.196
157 HG LEU 21 HG LEU 21 16.283 1.897 2.712
158 HD11 LEU 21 HD11 LEU 21 17.745 2.779 0.643
159 HD12 LEU 21 HD12 LEU 21 18.430 1.911 2.017
160 HD13 LEU 21 HD13 LEU 21 18.515 3.671 1.955
161 HD21 LEU 21 HD21 LEU 21 17.502 3.316 4.316
162 HD22 LEU 21 HD22 LEU 21 15.781 3.697 4.249
163 HD23 LEU 21 HD23 LEU 21 16.948 4.746 3.445
164 H GLY 22 HN GLY 22 12.204 2.785 0.873
165 HA2 GLY 22 HA2 GLY 22 11.535 5.355 -0.391
166 HA3 GLY 22 HA1 GLY 22 11.233 3.772 -1.105
167 H LYS 23 HN LYS 23 10.707 3.683 2.190
168 HA LYS 23 HA LYS 23 8.031 3.037 2.035
169 HB2 LYS 23 HB2 LYS 23 9.813 2.840 3.981
170 HB3 LYS 23 HB1 LYS 23 9.071 4.342 4.514
171 HG2 LYS 23 HG2 LYS 23 6.853 3.143 4.398
172 HG3 LYS 23 HG1 LYS 23 7.775 1.653 4.185
173 HD2 LYS 23 HD2 LYS 23 7.702 1.566 6.434
174 HD3 LYS 23 HD1 LYS 23 9.024 2.731 6.338
175 HE2 LYS 23 HE2 LYS 23 7.736 4.451 7.042
176 HE3 LYS 23 HE1 LYS 23 6.300 3.854 6.212
177 HZ1 LYS 23 HZ1 LYS 23 6.267 3.823 8.726
178 HZ2 LYS 23 HZ2 LYS 23 7.365 2.540 8.639
179 HZ3 LYS 23 HZ3 LYS 23 5.827 2.384 7.952
180 H ASP 24 HN ASP 24 9.622 6.119 2.355
181 HA ASP 24 HA ASP 24 7.566 7.737 3.252
182 HB2 ASP 24 HB2 ASP 24 10.126 8.170 2.459
183 HB3 ASP 24 HB1 ASP 24 9.244 8.905 1.123
184 H ALA 25 HN ALA 25 8.030 6.286 0.128
185 HA ALA 25 HA ALA 25 6.112 7.953 -1.230
186 HB1 ALA 25 HB1 ALA 25 6.783 5.305 -2.358
187 HB2 ALA 25 HB2 ALA 25 8.131 6.419 -2.131
188 HB3 ALA 25 HB3 ALA 25 6.755 6.892 -3.127
189 H VAL 26 HN VAL 26 6.237 4.733 0.142
190 HA VAL 26 HA VAL 26 3.758 3.723 -0.538
191 HB VAL 26 HB VAL 26 5.429 3.394 1.933
192 HG11 VAL 26 HG11 VAL 26 3.538 2.572 2.873
193 HG12 VAL 26 HG12 VAL 26 3.938 1.144 1.919
194 HG13 VAL 26 HG13 VAL 26 2.755 2.304 1.315
195 HG21 VAL 26 HG21 VAL 26 5.737 1.085 0.803
196 HG22 VAL 26 HG22 VAL 26 6.605 2.480 0.160
197 HG23 VAL 26 HG23 VAL 26 5.145 1.903 -0.643
198 H GLU 27 HN GLU 27 4.635 6.075 1.901
199 HA GLU 27 HA GLU 27 2.168 6.059 3.320
200 HB2 GLU 27 HB2 GLU 27 4.519 7.900 3.132
201 HB3 GLU 27 HB1 GLU 27 3.057 8.441 3.940
202 HG2 GLU 27 HG2 GLU 27 3.895 5.815 4.839
203 HG3 GLU 27 HG1 GLU 27 5.144 7.036 5.077
204 H ASP 28 HN ASP 28 3.641 8.117 0.875
205 HA ASP 28 HA ASP 28 1.319 9.701 0.490
206 HB2 ASP 28 HB2 ASP 28 3.809 10.243 -0.097
207 HB3 ASP 28 HB1 ASP 28 3.455 9.390 -1.597
208 H LEU 29 HN LEU 29 2.084 6.550 -0.286
209 HA LEU 29 HA LEU 29 0.308 6.520 -2.628
210 HB2 LEU 29 HB2 LEU 29 2.251 4.470 -1.565
211 HB3 LEU 29 HB1 LEU 29 1.148 4.168 -2.894
212 HG LEU 29 HG LEU 29 3.115 6.433 -3.008
213 HD11 LEU 29 HD11 LEU 29 4.585 4.666 -2.626
214 HD12 LEU 29 HD12 LEU 29 4.496 4.765 -4.385
215 HD13 LEU 29 HD13 LEU 29 3.591 3.520 -3.525
216 HD21 LEU 29 HD21 LEU 29 1.222 6.299 -4.622
217 HD22 LEU 29 HD22 LEU 29 1.868 4.755 -5.179
218 HD23 LEU 29 HD23 LEU 29 2.816 6.230 -5.376
219 H GLU 30 HN GLU 30 0.391 6.005 0.682
220 HA GLU 30 HA GLU 30 -1.528 3.880 0.768
221 HB2 GLU 30 HB2 GLU 30 0.335 4.907 2.551
222 HB3 GLU 30 HB1 GLU 30 -1.211 5.377 3.242
223 HG2 GLU 30 HG2 GLU 30 -0.890 2.574 2.324
224 HG3 GLU 30 HG1 GLU 30 -0.068 3.068 3.803
225 H SER 31 HN SER 31 -1.628 7.281 0.472
226 HA SER 31 HA SER 31 -4.412 7.333 1.369
227 HB2 SER 31 HB2 SER 31 -2.396 9.555 1.061
228 HB3 SER 31 HB1 SER 31 -4.111 9.849 1.353
229 HG SER 31 HG SER 31 -2.164 8.789 3.051
230 H VAL 32 HN VAL 32 -2.617 7.143 -1.404
231 HA VAL 32 HA VAL 32 -4.108 8.809 -3.115
232 HB VAL 32 HB VAL 32 -2.659 6.291 -3.940
233 HG11 VAL 32 HG11 VAL 32 -4.204 7.892 -5.449
234 HG12 VAL 32 HG12 VAL 32 -2.783 7.055 -6.073
235 HG13 VAL 32 HG13 VAL 32 -2.668 8.747 -5.587
236 HG21 VAL 32 HG21 VAL 32 -1.493 9.052 -3.636
237 HG22 VAL 32 HG22 VAL 32 -0.654 7.602 -4.188
238 HG23 VAL 32 HG23 VAL 32 -1.223 7.712 -2.524
239 H GLY 33 HN GLY 33 -4.280 5.950 -4.633
240 HA2 GLY 33 HA2 GLY 33 -7.035 5.851 -4.858
241 HA3 GLY 33 HA1 GLY 33 -5.966 4.500 -5.199
242 H LYS 34 HN LYS 34 -4.975 4.367 -2.438
243 HA LYS 34 HA LYS 34 -6.806 2.509 -1.413
244 HB2 LYS 34 HB2 LYS 34 -4.286 2.828 -0.900
245 HB3 LYS 34 HB1 LYS 34 -4.836 3.962 0.325
246 HG2 LYS 34 HG2 LYS 34 -4.969 2.216 1.689
247 HG3 LYS 34 HG1 LYS 34 -6.401 1.740 0.774
248 HD2 LYS 34 HD2 LYS 34 -5.283 0.116 -0.392
249 HD3 LYS 34 HD1 LYS 34 -3.733 0.952 -0.280
250 HE2 LYS 34 HE2 LYS 34 -4.898 0.016 2.265
251 HE3 LYS 34 HE1 LYS 34 -4.355 -1.239 1.153
252 HZ1 LYS 34 HZ1 LYS 34 -2.549 -0.688 2.564
253 HZ2 LYS 34 HZ2 LYS 34 -2.740 0.970 2.295
254 HZ3 LYS 34 HZ3 LYS 34 -2.196 -0.031 1.045
255 H GLY 35 HN GLY 35 -6.408 5.945 -0.842
256 HA2 GLY 35 HA2 GLY 35 -8.598 5.864 1.125
257 HA3 GLY 35 HA1 GLY 35 -7.444 7.176 0.948
258 H ALA 36 HN ALA 36 -8.441 6.101 -2.072
259 HA ALA 36 HA ALA 36 -9.882 8.513 -2.585
260 HB1 ALA 36 HB1 ALA 36 -8.399 7.156 -4.198
261 HB2 ALA 36 HB2 ALA 36 -9.880 7.879 -4.825
262 HB3 ALA 36 HB3 ALA 36 -9.833 6.159 -4.439
263 H VAL 37 HN VAL 37 -10.712 5.261 -1.733
264 HA VAL 37 HA VAL 37 -13.404 5.310 -2.608
265 HB VAL 37 HB VAL 37 -12.276 3.628 -0.374
266 HG11 VAL 37 HG11 VAL 37 -14.161 2.394 -0.463
267 HG12 VAL 37 HG12 VAL 37 -14.330 2.584 -2.208
268 HG13 VAL 37 HG13 VAL 37 -14.852 3.875 -1.126
269 HG21 VAL 37 HG21 VAL 37 -11.874 1.917 -2.130
270 HG22 VAL 37 HG22 VAL 37 -10.844 3.340 -2.284
271 HG23 VAL 37 HG23 VAL 37 -12.235 3.139 -3.349
272 H HIS 38 HN HIS 38 -12.022 5.478 0.653
273 HA HIS 38 HA HIS 38 -14.407 6.252 1.930
274 HB2 HIS 38 HB2 HIS 38 -12.272 5.319 2.992
275 HB3 HIS 38 HB1 HIS 38 -11.641 6.960 2.904
276 HD1 HIS 38 HD1 HIS 38 -11.733 6.098 5.648
277 HD2 HIS 38 HD2 HIS 38 -15.170 7.516 3.793
278 HE1 HIS 38 HE1 HIS 38 -13.261 6.808 7.515
279 HE2 HIS 38 HE2 HIS 38 -15.299 7.741 6.367
280 H ASP 39 HN ASP 39 -12.120 8.003 0.041
281 HA ASP 39 HA ASP 39 -12.565 10.594 1.104
282 HB2 ASP 39 HB2 ASP 39 -10.619 10.079 -0.294
283 HB3 ASP 39 HB1 ASP 39 -11.674 9.768 -1.669
284 H VAL 40 HN VAL 40 -14.268 8.625 -1.223
285 HA VAL 40 HA VAL 40 -15.873 10.751 -2.274
286 HB VAL 40 HB VAL 40 -16.446 7.788 -2.377
287 HG11 VAL 40 HG11 VAL 40 -18.099 8.231 -3.842
288 HG12 VAL 40 HG12 VAL 40 -17.228 9.575 -4.581
289 HG13 VAL 40 HG13 VAL 40 -18.095 9.814 -3.064
290 HG21 VAL 40 HG21 VAL 40 -14.941 7.502 -4.022
291 HG22 VAL 40 HG22 VAL 40 -14.183 8.943 -3.345
292 HG23 VAL 40 HG23 VAL 40 -15.264 9.084 -4.731
293 H LYS 41 HN LYS 41 -16.209 8.374 0.287
294 HA LYS 41 HA LYS 41 -18.951 8.690 0.797
295 HB2 LYS 41 HB2 LYS 41 -16.614 7.643 2.303
296 HB3 LYS 41 HB1 LYS 41 -18.045 8.054 3.239
297 HG2 LYS 41 HG2 LYS 41 -18.321 6.348 0.809
298 HG3 LYS 41 HG1 LYS 41 -17.726 5.644 2.313
299 HD2 LYS 41 HD2 LYS 41 -20.119 7.327 2.593
300 HD3 LYS 41 HD1 LYS 41 -20.350 5.859 1.642
301 HE2 LYS 41 HE2 LYS 41 -20.847 5.280 3.879
302 HE3 LYS 41 HE1 LYS 41 -19.254 4.605 3.539
303 HZ1 LYS 41 HZ1 LYS 41 -19.201 5.635 5.671
304 HZ2 LYS 41 HZ2 LYS 41 -19.855 7.075 5.071
305 HZ3 LYS 41 HZ3 LYS 41 -18.295 6.602 4.619
306 H ASP 42 HN ASP 42 -16.171 10.588 1.729
307 HA ASP 42 HA ASP 42 -17.568 12.133 3.704
308 HB2 ASP 42 HB2 ASP 42 -15.055 11.712 3.627
309 HB3 ASP 42 HB1 ASP 42 -14.995 12.898 2.327
310 H VAL 43 HN VAL 43 -16.741 12.499 0.308
311 HA VAL 43 HA VAL 43 -17.721 15.200 0.148
312 HB VAL 43 HB VAL 43 -17.143 13.312 -2.136
313 HG11 VAL 43 HG11 VAL 43 -16.524 15.765 -3.038
314 HG12 VAL 43 HG12 VAL 43 -17.810 16.177 -1.904
315 HG13 VAL 43 HG13 VAL 43 -18.122 15.040 -3.215
316 HG21 VAL 43 HG21 VAL 43 -15.255 13.689 -0.439
317 HG22 VAL 43 HG22 VAL 43 -15.214 15.341 -1.056
318 HG23 VAL 43 HG23 VAL 43 -14.905 13.986 -2.141
319 H LEU 44 HN LEU 44 -18.966 11.986 -0.414
320 HA LEU 44 HA LEU 44 -21.217 12.632 -1.950
321 HB2 LEU 44 HB2 LEU 44 -20.203 10.339 -0.524
322 HB3 LEU 44 HB1 LEU 44 -21.936 10.476 -0.298
323 HG LEU 44 HG LEU 44 -20.694 10.569 -3.035
324 HD11 LEU 44 HD11 LEU 44 -21.547 8.153 -1.453
325 HD12 LEU 44 HD12 LEU 44 -19.947 8.495 -2.111
326 HD13 LEU 44 HD13 LEU 44 -21.294 8.158 -3.198
327 HD21 LEU 44 HD21 LEU 44 -22.960 9.755 -3.667
328 HD22 LEU 44 HD22 LEU 44 -22.952 11.363 -2.943
329 HD23 LEU 44 HD23 LEU 44 -23.455 9.968 -1.988
330 H ASP 45 HN ASP 45 -20.591 12.905 1.464
331 HA ASP 45 HA ASP 45 -23.206 13.055 2.438
332 HB2 ASP 45 HB2 ASP 45 -20.539 13.969 3.373
333 HB3 ASP 45 HB1 ASP 45 -21.943 14.714 4.131
334 H SER 46 HN SER 46 -21.112 15.542 1.055
335 HA SER 46 HA SER 46 -23.108 17.605 1.451
336 HB2 SER 46 HB2 SER 46 -20.464 17.715 -0.021
337 HB3 SER 46 HB1 SER 46 -21.471 19.099 0.401
338 HG SER 46 HG SER 46 -20.166 19.057 2.086
339 H VAL 47 HN VAL 47 -21.802 15.666 -1.180
340 HA VAL 47 HA VAL 47 -23.052 17.023 -3.309
341 HB VAL 47 HB VAL 47 -22.366 14.083 -3.212
342 HG11 VAL 47 HG11 VAL 47 -23.798 15.000 -5.103
343 HG12 VAL 47 HG12 VAL 47 -22.328 14.141 -5.564
344 HG13 VAL 47 HG13 VAL 47 -22.369 15.904 -5.603
345 HG21 VAL 47 HG21 VAL 47 -20.594 16.093 -2.732
346 HG22 VAL 47 HG22 VAL 47 -20.473 15.929 -4.483
347 HG23 VAL 47 HG23 VAL 47 -20.178 14.535 -3.444
348 H LEU 48 HN LEU 48 -24.182 14.593 -1.069
349 HA LEU 48 HA LEU 48 -26.239 13.711 -0.666
350 HB2 LEU 48 HB2 LEU 48 -26.727 16.284 -1.092
351 HB3 LEU 48 HB1 LEU 48 -27.557 15.651 -2.502
352 HG LEU 48 HG LEU 48 -28.822 14.132 -0.878
353 HD11 LEU 48 HD11 LEU 48 -27.855 14.163 1.167
354 HD12 LEU 48 HD12 LEU 48 -28.949 15.527 1.396
355 HD13 LEU 48 HD13 LEU 48 -27.258 15.812 0.983
356 HD21 LEU 48 HD21 LEU 48 -29.433 16.510 -1.951
357 HD22 LEU 48 HD22 LEU 48 -29.536 16.927 -0.240
358 HD23 LEU 48 HD23 LEU 48 -30.525 15.620 -0.891
Start of MODEL 16
1 H1 SER 1 HT1 SER 1 5.395 -23.854 -4.703
2 H2 SER 1 HT2 SER 1 3.705 -24.007 -4.447
3 H3 SER 1 HT3 SER 1 4.717 -23.426 -3.188
4 HA SER 1 HA SER 1 5.284 -21.528 -4.563
5 HB2 SER 1 HB2 SER 1 3.040 -22.558 -6.316
6 HB3 SER 1 HB1 SER 1 4.019 -21.117 -6.587
7 HG SER 1 HG SER 1 4.505 -23.593 -7.386
8 H SER 2 HN SER 2 4.417 -19.780 -3.629
9 HA SER 2 HA SER 2 1.578 -19.595 -3.112
10 HB2 SER 2 HB2 SER 2 2.978 -20.801 -1.143
11 HB3 SER 2 HB1 SER 2 3.192 -19.116 -0.671
12 HG SER 2 HG SER 2 0.726 -20.445 -1.129
13 H LEU 3 HN LEU 3 0.896 -17.480 -2.563
14 HA LEU 3 HA LEU 3 2.462 -15.421 -3.719
15 HB2 LEU 3 HB2 LEU 3 0.671 -13.916 -2.967
16 HB3 LEU 3 HB1 LEU 3 0.051 -15.328 -3.801
17 HG LEU 3 HG LEU 3 0.201 -15.548 -0.858
18 HD11 LEU 3 HD11 LEU 3 -0.557 -13.298 -0.927
19 HD12 LEU 3 HD12 LEU 3 -1.972 -14.312 -0.644
20 HD13 LEU 3 HD13 LEU 3 -1.671 -13.646 -2.249
21 HD21 LEU 3 HD21 LEU 3 -0.881 -17.361 -1.659
22 HD22 LEU 3 HD22 LEU 3 -1.432 -16.527 -3.112
23 HD23 LEU 3 HD23 LEU 3 -2.277 -16.287 -1.582
24 H LEU 4 HN LEU 4 2.048 -16.572 -0.459
25 HA LEU 4 HA LEU 4 3.089 -14.267 0.849
26 HB2 LEU 4 HB2 LEU 4 2.409 -17.050 1.617
27 HB3 LEU 4 HB1 LEU 4 3.552 -16.206 2.644
28 HG LEU 4 HG LEU 4 1.311 -15.974 3.530
29 HD11 LEU 4 HD11 LEU 4 1.681 -13.262 2.441
30 HD12 LEU 4 HD12 LEU 4 3.081 -13.970 3.247
31 HD13 LEU 4 HD13 LEU 4 1.553 -13.811 4.112
32 HD21 LEU 4 HD21 LEU 4 0.618 -14.688 0.892
33 HD22 LEU 4 HD22 LEU 4 -0.443 -14.824 2.293
34 HD23 LEU 4 HD23 LEU 4 0.078 -16.275 1.438
35 H GLU 5 HN GLU 5 4.514 -17.026 -0.701
36 HA GLU 5 HA GLU 5 7.091 -16.745 0.533
37 HB2 GLU 5 HB2 GLU 5 6.062 -18.341 -1.807
38 HB3 GLU 5 HB1 GLU 5 7.770 -18.302 -1.390
39 HG2 GLU 5 HG2 GLU 5 5.593 -19.149 0.504
40 HG3 GLU 5 HG1 GLU 5 6.526 -20.260 -0.497
41 H LYS 6 HN LYS 6 5.463 -15.520 -2.284
42 HA LYS 6 HA LYS 6 7.929 -14.377 -3.329
43 HB2 LYS 6 HB2 LYS 6 5.524 -15.309 -4.502
44 HB3 LYS 6 HB1 LYS 6 5.619 -13.584 -4.829
45 HG2 LYS 6 HG2 LYS 6 6.621 -14.902 -6.617
46 HG3 LYS 6 HG1 LYS 6 7.814 -13.871 -5.826
47 HD2 LYS 6 HD2 LYS 6 7.568 -16.536 -4.639
48 HD3 LYS 6 HD1 LYS 6 8.113 -16.546 -6.318
49 HE2 LYS 6 HE2 LYS 6 9.583 -14.509 -5.174
50 HE3 LYS 6 HE1 LYS 6 9.512 -15.726 -3.901
51 HZ1 LYS 6 HZ1 LYS 6 11.274 -16.542 -5.011
52 HZ2 LYS 6 HZ2 LYS 6 10.850 -15.814 -6.477
53 HZ3 LYS 6 HZ3 LYS 6 10.094 -17.248 -5.997
54 H GLY 7 HN GLY 7 5.000 -13.474 -1.682
55 HA2 GLY 7 HA2 GLY 7 5.313 -10.647 -2.155
56 HA3 GLY 7 HA1 GLY 7 4.148 -11.404 -1.079
57 H LEU 8 HN LEU 8 6.005 -12.871 0.507
58 HA LEU 8 HA LEU 8 6.798 -10.798 2.310
59 HB2 LEU 8 HB2 LEU 8 5.947 -13.051 3.003
60 HB3 LEU 8 HB1 LEU 8 7.454 -13.742 2.431
61 HG LEU 8 HG LEU 8 7.793 -11.545 4.352
62 HD11 LEU 8 HD11 LEU 8 6.974 -14.100 5.605
63 HD12 LEU 8 HD12 LEU 8 5.696 -13.043 5.006
64 HD13 LEU 8 HD13 LEU 8 6.844 -12.447 6.205
65 HD21 LEU 8 HD21 LEU 8 9.323 -13.306 5.345
66 HD22 LEU 8 HD22 LEU 8 9.712 -12.755 3.716
67 HD23 LEU 8 HD23 LEU 8 8.908 -14.307 3.953
68 H ASP 9 HN ASP 9 8.407 -12.998 0.100
69 HA ASP 9 HA ASP 9 11.044 -12.310 0.875
70 HB2 ASP 9 HB2 ASP 9 10.188 -14.383 -0.451
71 HB3 ASP 9 HB1 ASP 9 10.366 -13.341 -1.859
72 H GLY 10 HN GLY 10 8.796 -11.098 -1.524
73 HA2 GLY 10 HA2 GLY 10 10.688 -9.398 -2.840
74 HA3 GLY 10 HA1 GLY 10 8.940 -9.368 -3.036
75 H ALA 11 HN ALA 11 8.444 -9.074 -0.184
76 HA ALA 11 HA ALA 11 8.549 -6.242 -0.079
77 HB1 ALA 11 HB1 ALA 11 7.243 -6.388 1.870
78 HB2 ALA 11 HB2 ALA 11 7.807 -8.023 2.215
79 HB3 ALA 11 HB3 ALA 11 6.723 -7.734 0.854
80 H LYS 12 HN LYS 12 9.889 -8.707 2.091
81 HA LYS 12 HA LYS 12 11.360 -7.083 3.751
82 HB2 LYS 12 HB2 LYS 12 12.000 -9.869 2.783
83 HB3 LYS 12 HB1 LYS 12 12.833 -9.074 4.112
84 HG2 LYS 12 HG2 LYS 12 10.164 -8.815 4.772
85 HG3 LYS 12 HG1 LYS 12 10.271 -10.429 4.066
86 HD2 LYS 12 HD2 LYS 12 11.497 -11.234 5.779
87 HD3 LYS 12 HD1 LYS 12 12.428 -9.744 5.944
88 HE2 LYS 12 HE2 LYS 12 9.582 -10.097 6.876
89 HE3 LYS 12 HE1 LYS 12 10.999 -10.260 7.912
90 HZ1 LYS 12 HZ1 LYS 12 9.663 -7.985 7.593
91 HZ2 LYS 12 HZ2 LYS 12 10.830 -7.798 6.383
92 HZ3 LYS 12 HZ3 LYS 12 11.308 -8.048 7.986
93 H LYS 13 HN LYS 13 12.012 -7.798 0.435
94 HA LYS 13 HA LYS 13 14.763 -6.824 0.700
95 HB2 LYS 13 HB2 LYS 13 15.109 -7.711 -1.553
96 HB3 LYS 13 HB1 LYS 13 14.469 -8.949 -0.478
97 HG2 LYS 13 HG2 LYS 13 13.022 -9.336 -2.143
98 HG3 LYS 13 HG1 LYS 13 12.184 -7.915 -1.506
99 HD2 LYS 13 HD2 LYS 13 12.355 -7.292 -3.690
100 HD3 LYS 13 HD1 LYS 13 13.885 -6.652 -3.090
101 HE2 LYS 13 HE2 LYS 13 13.996 -9.450 -3.965
102 HE3 LYS 13 HE1 LYS 13 13.614 -8.301 -5.247
103 HZ1 LYS 13 HZ1 LYS 13 15.635 -7.048 -4.085
104 HZ2 LYS 13 HZ2 LYS 13 15.848 -8.162 -5.339
105 HZ3 LYS 13 HZ3 LYS 13 16.074 -8.644 -3.733
106 H ALA 14 HN ALA 14 12.021 -6.400 -1.563
107 HA ALA 14 HA ALA 14 13.096 -4.000 -2.649
108 HB1 ALA 14 HB1 ALA 14 11.693 -5.458 -4.001
109 HB2 ALA 14 HB2 ALA 14 10.968 -3.857 -3.864
110 HB3 ALA 14 HB3 ALA 14 10.337 -5.195 -2.904
111 H VAL 15 HN VAL 15 10.628 -4.830 -0.293
112 HA VAL 15 HA VAL 15 9.948 -2.081 0.066
113 HB VAL 15 HB VAL 15 9.012 -4.447 1.673
114 HG11 VAL 15 HG11 VAL 15 7.874 -1.661 1.490
115 HG12 VAL 15 HG12 VAL 15 8.793 -2.303 2.852
116 HG13 VAL 15 HG13 VAL 15 7.225 -2.997 2.441
117 HG21 VAL 15 HG21 VAL 15 8.496 -4.265 -0.878
118 HG22 VAL 15 HG22 VAL 15 7.351 -3.028 -0.362
119 HG23 VAL 15 HG23 VAL 15 7.207 -4.674 0.253
120 H GLY 16 HN GLY 16 11.605 -4.584 1.914
121 HA2 GLY 16 HA2 GLY 16 12.108 -2.933 4.184
122 HA3 GLY 16 HA1 GLY 16 12.906 -4.456 3.814
123 H GLY 17 HN GLY 17 13.965 -3.774 1.300
124 HA2 GLY 17 HA2 GLY 17 16.280 -2.285 2.161
125 HA3 GLY 17 HA1 GLY 17 16.054 -3.056 0.599
126 H LEU 18 HN LEU 18 14.116 -1.915 -0.654
127 HA LEU 18 HA LEU 18 14.999 0.819 -0.996
128 HB2 LEU 18 HB2 LEU 18 13.550 -1.175 -2.583
129 HB3 LEU 18 HB1 LEU 18 12.963 0.464 -2.791
130 HG LEU 18 HG LEU 18 15.161 1.213 -3.487
131 HD11 LEU 18 HD11 LEU 18 17.013 -0.346 -3.757
132 HD12 LEU 18 HD12 LEU 18 16.038 -1.640 -3.061
133 HD13 LEU 18 HD13 LEU 18 16.503 -0.256 -2.072
134 HD21 LEU 18 HD21 LEU 18 15.086 0.353 -5.611
135 HD22 LEU 18 HD22 LEU 18 13.486 -0.097 -5.022
136 HD23 LEU 18 HD23 LEU 18 14.782 -1.292 -5.053
137 H GLY 19 HN GLY 19 12.032 -0.862 -0.089
138 HA2 GLY 19 HA2 GLY 19 10.332 1.372 -0.008
139 HA3 GLY 19 HA1 GLY 19 10.093 -0.118 0.886
140 H LYS 20 HN LYS 20 12.914 0.594 2.059
141 HA LYS 20 HA LYS 20 11.831 1.942 4.375
142 HB2 LYS 20 HB2 LYS 20 14.287 0.384 3.787
143 HB3 LYS 20 HB1 LYS 20 14.369 1.566 5.088
144 HG2 LYS 20 HG2 LYS 20 12.159 -0.447 4.983
145 HG3 LYS 20 HG1 LYS 20 13.739 -0.861 5.654
146 HD2 LYS 20 HD2 LYS 20 13.556 0.861 7.311
147 HD3 LYS 20 HD1 LYS 20 12.091 1.496 6.559
148 HE2 LYS 20 HE2 LYS 20 11.331 -1.048 6.986
149 HE3 LYS 20 HE1 LYS 20 12.466 -0.845 8.320
150 HZ1 LYS 20 HZ1 LYS 20 10.631 -0.039 9.322
151 HZ2 LYS 20 HZ2 LYS 20 9.880 0.413 7.875
152 HZ3 LYS 20 HZ3 LYS 20 11.081 1.397 8.547
153 H LEU 21 HN LEU 21 14.699 2.378 2.367
154 HA LEU 21 HA LEU 21 14.983 5.122 3.228
155 HB2 LEU 21 HB2 LEU 21 16.462 3.902 0.916
156 HB3 LEU 21 HB1 LEU 21 16.985 5.186 1.989
157 HG LEU 21 HG LEU 21 16.557 2.450 3.109
158 HD11 LEU 21 HD11 LEU 21 19.029 2.075 2.622
159 HD12 LEU 21 HD12 LEU 21 18.859 3.334 1.398
160 HD13 LEU 21 HD13 LEU 21 17.902 1.857 1.284
161 HD21 LEU 21 HD21 LEU 21 17.010 4.215 4.669
162 HD22 LEU 21 HD22 LEU 21 18.402 4.751 3.728
163 HD23 LEU 21 HD23 LEU 21 18.441 3.192 4.550
164 H GLY 22 HN GLY 22 13.245 3.401 1.034
165 HA2 GLY 22 HA2 GLY 22 12.757 5.724 -0.701
166 HA3 GLY 22 HA1 GLY 22 12.510 4.041 -1.168
167 H LYS 23 HN LYS 23 11.626 4.491 2.014
168 HA LYS 23 HA LYS 23 8.976 3.819 1.681
169 HB2 LYS 23 HB2 LYS 23 10.563 4.017 3.814
170 HB3 LYS 23 HB1 LYS 23 9.698 5.535 4.006
171 HG2 LYS 23 HG2 LYS 23 7.921 3.308 3.449
172 HG3 LYS 23 HG1 LYS 23 8.885 3.064 4.906
173 HD2 LYS 23 HD2 LYS 23 8.021 4.971 5.940
174 HD3 LYS 23 HD1 LYS 23 7.457 5.655 4.414
175 HE2 LYS 23 HE2 LYS 23 6.203 3.120 4.822
176 HE3 LYS 23 HE1 LYS 23 6.011 4.097 6.277
177 HZ1 LYS 23 HZ1 LYS 23 4.261 4.891 5.130
178 HZ2 LYS 23 HZ2 LYS 23 4.907 4.493 3.618
179 HZ3 LYS 23 HZ3 LYS 23 5.423 5.892 4.416
180 H ASP 24 HN ASP 24 10.556 6.915 1.568
181 HA ASP 24 HA ASP 24 8.461 8.664 1.993
182 HB2 ASP 24 HB2 ASP 24 11.092 8.875 1.127
183 HB3 ASP 24 HB1 ASP 24 10.156 9.531 -0.213
184 H ALA 25 HN ALA 25 9.152 6.684 -0.794
185 HA ALA 25 HA ALA 25 7.257 8.007 -2.518
186 HB1 ALA 25 HB1 ALA 25 9.389 6.439 -3.032
187 HB2 ALA 25 HB2 ALA 25 8.066 6.689 -4.171
188 HB3 ALA 25 HB3 ALA 25 8.094 5.248 -3.154
189 H VAL 26 HN VAL 26 7.432 5.087 -0.598
190 HA VAL 26 HA VAL 26 5.048 3.840 -1.225
191 HB VAL 26 HB VAL 26 6.554 4.027 1.363
192 HG11 VAL 26 HG11 VAL 26 4.314 3.410 1.960
193 HG12 VAL 26 HG12 VAL 26 5.311 1.958 2.027
194 HG13 VAL 26 HG13 VAL 26 4.238 2.228 0.653
195 HG21 VAL 26 HG21 VAL 26 7.428 1.850 0.766
196 HG22 VAL 26 HG22 VAL 26 7.730 2.999 -0.537
197 HG23 VAL 26 HG23 VAL 26 6.427 1.820 -0.685
198 H GLU 27 HN GLU 27 5.631 6.699 0.670
199 HA GLU 27 HA GLU 27 3.149 6.761 2.056
200 HB2 GLU 27 HB2 GLU 27 5.522 8.348 1.871
201 HB3 GLU 27 HB1 GLU 27 4.130 9.390 1.627
202 HG2 GLU 27 HG2 GLU 27 3.203 8.231 3.751
203 HG3 GLU 27 HG1 GLU 27 4.884 7.777 4.024
204 H ASP 28 HN ASP 28 4.464 8.395 -0.770
205 HA ASP 28 HA ASP 28 1.967 9.538 -1.508
206 HB2 ASP 28 HB2 ASP 28 4.597 10.016 -2.200
207 HB3 ASP 28 HB1 ASP 28 3.941 9.276 -3.657
208 H LEU 29 HN LEU 29 3.200 6.445 -1.631
209 HA LEU 29 HA LEU 29 1.603 5.728 -3.991
210 HB2 LEU 29 HB2 LEU 29 3.730 4.208 -2.492
211 HB3 LEU 29 HB1 LEU 29 2.770 3.517 -3.783
212 HG LEU 29 HG LEU 29 4.472 5.965 -4.194
213 HD11 LEU 29 HD11 LEU 29 6.181 4.487 -5.128
214 HD12 LEU 29 HD12 LEU 29 5.246 3.082 -4.616
215 HD13 LEU 29 HD13 LEU 29 5.925 4.177 -3.411
216 HD21 LEU 29 HD21 LEU 29 4.202 5.536 -6.489
217 HD22 LEU 29 HD22 LEU 29 2.598 5.322 -5.788
218 HD23 LEU 29 HD23 LEU 29 3.577 3.913 -6.197
219 H GLU 30 HN GLU 30 1.496 5.866 -0.655
220 HA GLU 30 HA GLU 30 -0.079 3.511 -0.235
221 HB2 GLU 30 HB2 GLU 30 1.413 4.315 1.526
222 HB3 GLU 30 HB1 GLU 30 0.526 5.831 1.600
223 HG2 GLU 30 HG2 GLU 30 -1.493 4.542 2.270
224 HG3 GLU 30 HG1 GLU 30 -0.483 3.099 2.348
225 H SER 31 HN SER 31 -0.628 6.891 -0.863
226 HA SER 31 HA SER 31 -3.452 6.644 -0.228
227 HB2 SER 31 HB2 SER 31 -1.607 8.920 -0.723
228 HB3 SER 31 HB1 SER 31 -3.305 9.154 -1.137
229 HG SER 31 HG SER 31 -3.822 8.554 1.014
230 H VAL 32 HN VAL 32 -1.501 6.123 -2.862
231 HA VAL 32 HA VAL 32 -3.172 7.064 -4.929
232 HB VAL 32 HB VAL 32 -1.265 4.730 -5.132
233 HG11 VAL 32 HG11 VAL 32 -2.984 5.666 -6.985
234 HG12 VAL 32 HG12 VAL 32 -1.422 4.948 -7.380
235 HG13 VAL 32 HG13 VAL 32 -1.592 6.701 -7.306
236 HG21 VAL 32 HG21 VAL 32 -0.629 7.664 -5.404
237 HG22 VAL 32 HG22 VAL 32 0.480 6.324 -5.698
238 HG23 VAL 32 HG23 VAL 32 -0.132 6.622 -4.072
239 H GLY 33 HN GLY 33 -2.767 3.949 -5.737
240 HA2 GLY 33 HA2 GLY 33 -5.464 3.306 -5.901
241 HA3 GLY 33 HA1 GLY 33 -4.155 2.137 -5.975
242 H LYS 34 HN LYS 34 -3.208 2.823 -3.271
243 HA LYS 34 HA LYS 34 -4.861 0.989 -1.829
244 HB2 LYS 34 HB2 LYS 34 -2.445 2.628 -1.095
245 HB3 LYS 34 HB1 LYS 34 -3.293 1.647 0.092
246 HG2 LYS 34 HG2 LYS 34 -2.953 -0.227 -1.736
247 HG3 LYS 34 HG1 LYS 34 -1.612 0.819 -2.208
248 HD2 LYS 34 HD2 LYS 34 -1.498 0.637 0.590
249 HD3 LYS 34 HD1 LYS 34 -1.818 -1.000 0.013
250 HE2 LYS 34 HE2 LYS 34 0.482 -0.940 -0.044
251 HE3 LYS 34 HE1 LYS 34 0.081 -0.464 -1.693
252 HZ1 LYS 34 HZ1 LYS 34 1.801 0.900 -0.374
253 HZ2 LYS 34 HZ2 LYS 34 0.456 1.589 0.385
254 HZ3 LYS 34 HZ3 LYS 34 0.640 1.722 -1.291
255 H GLY 35 HN GLY 35 -4.587 4.454 -2.028
256 HA2 GLY 35 HA2 GLY 35 -6.230 4.863 0.343
257 HA3 GLY 35 HA1 GLY 35 -5.516 6.117 -0.659
258 H ALA 36 HN ALA 36 -7.034 3.819 -2.584
259 HA ALA 36 HA ALA 36 -9.084 5.652 -3.353
260 HB1 ALA 36 HB1 ALA 36 -9.282 2.849 -4.250
261 HB2 ALA 36 HB2 ALA 36 -7.787 3.690 -4.661
262 HB3 ALA 36 HB3 ALA 36 -9.340 4.347 -5.179
263 H VAL 37 HN VAL 37 -8.858 2.941 -1.207
264 HA VAL 37 HA VAL 37 -11.624 2.349 -1.052
265 HB VAL 37 HB VAL 37 -9.547 1.826 1.072
266 HG11 VAL 37 HG11 VAL 37 -12.048 0.275 0.434
267 HG12 VAL 37 HG12 VAL 37 -11.975 1.546 1.654
268 HG13 VAL 37 HG13 VAL 37 -10.989 0.094 1.833
269 HG21 VAL 37 HG21 VAL 37 -8.737 0.953 -1.037
270 HG22 VAL 37 HG22 VAL 37 -10.283 0.158 -1.332
271 HG23 VAL 37 HG23 VAL 37 -9.257 -0.377 -0.002
272 H HIS 38 HN HIS 38 -9.444 4.032 1.176
273 HA HIS 38 HA HIS 38 -11.529 4.994 2.850
274 HB2 HIS 38 HB2 HIS 38 -8.609 5.649 2.553
275 HB3 HIS 38 HB1 HIS 38 -9.639 6.589 3.628
276 HD1 HIS 38 HD1 HIS 38 -8.743 5.825 5.847
277 HD2 HIS 38 HD2 HIS 38 -9.758 2.659 3.355
278 HE1 HIS 38 HE1 HIS 38 -8.561 3.762 7.273
279 HE2 HIS 38 HE2 HIS 38 -9.256 1.867 5.765
280 H ASP 39 HN ASP 39 -10.174 6.052 -0.134
281 HA ASP 39 HA ASP 39 -10.781 8.813 0.054
282 HB2 ASP 39 HB2 ASP 39 -9.999 6.925 -2.080
283 HB3 ASP 39 HB1 ASP 39 -10.901 8.339 -2.617
284 H VAL 40 HN VAL 40 -12.636 5.999 -0.912
285 HA VAL 40 HA VAL 40 -14.796 7.332 -2.130
286 HB VAL 40 HB VAL 40 -14.959 4.725 -0.619
287 HG11 VAL 40 HG11 VAL 40 -16.906 4.297 -1.751
288 HG12 VAL 40 HG12 VAL 40 -16.484 5.353 -3.099
289 HG13 VAL 40 HG13 VAL 40 -17.020 6.047 -1.570
290 HG21 VAL 40 HG21 VAL 40 -14.662 4.039 -3.241
291 HG22 VAL 40 HG22 VAL 40 -13.371 4.020 -2.040
292 HG23 VAL 40 HG23 VAL 40 -13.566 5.414 -3.103
293 H LYS 41 HN LYS 41 -14.037 6.639 1.217
294 HA LYS 41 HA LYS 41 -16.554 7.088 2.359
295 HB2 LYS 41 HB2 LYS 41 -14.535 6.128 3.510
296 HB3 LYS 41 HB1 LYS 41 -13.888 7.760 3.611
297 HG2 LYS 41 HG2 LYS 41 -14.853 7.445 5.688
298 HG3 LYS 41 HG1 LYS 41 -16.098 8.330 4.803
299 HD2 LYS 41 HD2 LYS 41 -17.430 6.434 4.542
300 HD3 LYS 41 HD1 LYS 41 -16.088 5.333 4.859
301 HE2 LYS 41 HE2 LYS 41 -17.632 5.397 6.745
302 HE3 LYS 41 HE1 LYS 41 -16.054 6.042 7.197
303 HZ1 LYS 41 HZ1 LYS 41 -16.884 8.098 7.505
304 HZ2 LYS 41 HZ2 LYS 41 -18.339 7.269 7.742
305 HZ3 LYS 41 HZ3 LYS 41 -18.003 7.976 6.242
306 H ASP 42 HN ASP 42 -14.106 9.299 1.219
307 HA ASP 42 HA ASP 42 -15.210 11.617 2.488
308 HB2 ASP 42 HB2 ASP 42 -12.801 11.334 1.740
309 HB3 ASP 42 HB1 ASP 42 -13.374 11.577 0.093
310 H VAL 43 HN VAL 43 -15.499 10.093 -0.665
311 HA VAL 43 HA VAL 43 -17.070 12.228 -1.784
312 HB VAL 43 HB VAL 43 -16.770 9.420 -2.849
313 HG11 VAL 43 HG11 VAL 43 -18.569 10.660 -3.882
314 HG12 VAL 43 HG12 VAL 43 -17.228 10.507 -5.017
315 HG13 VAL 43 HG13 VAL 43 -17.498 12.031 -4.171
316 HG21 VAL 43 HG21 VAL 43 -15.044 10.743 -4.350
317 HG22 VAL 43 HG22 VAL 43 -14.566 10.020 -2.815
318 HG23 VAL 43 HG23 VAL 43 -14.919 11.746 -2.905
319 H LEU 44 HN LEU 44 -17.660 9.180 -0.181
320 HA LEU 44 HA LEU 44 -20.344 8.808 -0.888
321 HB2 LEU 44 HB2 LEU 44 -18.630 7.305 0.435
322 HB3 LEU 44 HB1 LEU 44 -19.374 8.058 1.833
323 HG LEU 44 HG LEU 44 -21.184 6.853 -0.194
324 HD11 LEU 44 HD11 LEU 44 -19.899 5.108 1.874
325 HD12 LEU 44 HD12 LEU 44 -19.214 5.267 0.256
326 HD13 LEU 44 HD13 LEU 44 -20.852 4.646 0.463
327 HD21 LEU 44 HD21 LEU 44 -21.137 7.290 2.767
328 HD22 LEU 44 HD22 LEU 44 -22.247 6.125 2.044
329 HD23 LEU 44 HD23 LEU 44 -22.325 7.824 1.578
330 H ASP 45 HN ASP 45 -18.836 10.894 1.462
331 HA ASP 45 HA ASP 45 -21.130 11.464 3.015
332 HB2 ASP 45 HB2 ASP 45 -18.438 12.673 2.654
333 HB3 ASP 45 HB1 ASP 45 -19.686 13.693 3.362
334 H SER 46 HN SER 46 -19.902 12.729 0.000
335 HA SER 46 HA SER 46 -21.725 14.971 -0.031
336 HB2 SER 46 HB2 SER 46 -19.340 14.665 -1.181
337 HB3 SER 46 HB1 SER 46 -20.335 14.070 -2.509
338 HG SER 46 HG SER 46 -20.709 16.079 -2.948
339 H VAL 47 HN VAL 47 -21.581 11.724 -1.312
340 HA VAL 47 HA VAL 47 -23.587 11.924 -3.267
341 HB VAL 47 HB VAL 47 -22.961 9.488 -1.594
342 HG11 VAL 47 HG11 VAL 47 -24.917 9.058 -2.817
343 HG12 VAL 47 HG12 VAL 47 -23.620 8.349 -3.779
344 HG13 VAL 47 HG13 VAL 47 -24.314 9.903 -4.242
345 HG21 VAL 47 HG21 VAL 47 -21.054 9.142 -2.726
346 HG22 VAL 47 HG22 VAL 47 -21.128 10.872 -3.060
347 HG23 VAL 47 HG23 VAL 47 -21.736 9.718 -4.247
348 H LEU 48 HN LEU 48 -23.740 11.586 0.204
349 HA LEU 48 HA LEU 48 -25.466 11.618 1.684
350 HB2 LEU 48 HB2 LEU 48 -26.067 13.485 -0.254
351 HB3 LEU 48 HB1 LEU 48 -27.526 12.516 -0.186
352 HG LEU 48 HG LEU 48 -27.707 14.439 1.287
353 HD11 LEU 48 HD11 LEU 48 -27.700 11.681 2.351
354 HD12 LEU 48 HD12 LEU 48 -29.013 12.854 2.237
355 HD13 LEU 48 HD13 LEU 48 -27.818 12.990 3.527
356 HD21 LEU 48 HD21 LEU 48 -25.704 15.142 2.062
357 HD22 LEU 48 HD22 LEU 48 -25.050 13.508 2.173
358 HD23 LEU 48 HD23 LEU 48 -26.128 14.113 3.431
Start of MODEL 17
1 H1 SER 1 HT1 SER 1 -6.574 -16.852 -3.660
2 H2 SER 1 HT2 SER 1 -5.693 -18.144 -2.953
3 H3 SER 1 HT3 SER 1 -6.134 -18.208 -4.610
4 HA SER 1 HA SER 1 -3.929 -17.654 -4.630
5 HB2 SER 1 HB2 SER 1 -5.505 -15.068 -4.747
6 HB3 SER 1 HB1 SER 1 -3.959 -15.380 -5.536
7 HG SER 1 HG SER 1 -5.107 -16.093 -7.134
8 H SER 2 HN SER 2 -2.408 -17.642 -3.110
9 HA SER 2 HA SER 2 -2.692 -16.340 -0.603
10 HB2 SER 2 HB2 SER 2 -0.722 -18.063 -1.916
11 HB3 SER 2 HB1 SER 2 0.009 -16.864 -0.850
12 HG SER 2 HG SER 2 -1.275 -17.634 0.831
13 H LEU 3 HN LEU 3 -3.095 -14.153 -1.088
14 HA LEU 3 HA LEU 3 -1.226 -12.592 -2.598
15 HB2 LEU 3 HB2 LEU 3 -3.842 -12.266 -1.713
16 HB3 LEU 3 HB1 LEU 3 -2.936 -11.072 -0.805
17 HG LEU 3 HG LEU 3 -1.954 -10.446 -3.154
18 HD11 LEU 3 HD11 LEU 3 -3.606 -10.745 -4.948
19 HD12 LEU 3 HD12 LEU 3 -4.562 -11.772 -3.880
20 HD13 LEU 3 HD13 LEU 3 -2.950 -12.281 -4.382
21 HD21 LEU 3 HD21 LEU 3 -3.709 -9.288 -1.516
22 HD22 LEU 3 HD22 LEU 3 -4.776 -9.593 -2.887
23 HD23 LEU 3 HD23 LEU 3 -3.313 -8.631 -3.104
24 H LEU 4 HN LEU 4 -1.689 -13.385 0.769
25 HA LEU 4 HA LEU 4 0.004 -11.338 1.810
26 HB2 LEU 4 HB2 LEU 4 -1.814 -12.953 2.932
27 HB3 LEU 4 HB1 LEU 4 -0.369 -13.869 3.312
28 HG LEU 4 HG LEU 4 0.572 -11.824 4.399
29 HD11 LEU 4 HD11 LEU 4 -0.523 -9.857 4.518
30 HD12 LEU 4 HD12 LEU 4 -2.111 -10.619 4.595
31 HD13 LEU 4 HD13 LEU 4 -1.292 -10.444 3.044
32 HD21 LEU 4 HD21 LEU 4 -0.410 -13.528 5.772
33 HD22 LEU 4 HD22 LEU 4 -2.034 -12.924 5.441
34 HD23 LEU 4 HD23 LEU 4 -0.909 -11.955 6.393
35 H GLU 5 HN GLU 5 0.497 -14.589 0.629
36 HA GLU 5 HA GLU 5 3.164 -14.832 1.661
37 HB2 GLU 5 HB2 GLU 5 1.289 -16.604 0.671
38 HB3 GLU 5 HB1 GLU 5 2.491 -16.548 -0.611
39 HG2 GLU 5 HG2 GLU 5 4.164 -17.398 0.740
40 HG3 GLU 5 HG1 GLU 5 3.336 -16.938 2.226
41 H LYS 6 HN LYS 6 1.655 -13.693 -1.261
42 HA LYS 6 HA LYS 6 4.215 -13.488 -2.625
43 HB2 LYS 6 HB2 LYS 6 1.432 -12.786 -3.570
44 HB3 LYS 6 HB1 LYS 6 2.884 -12.743 -4.561
45 HG2 LYS 6 HG2 LYS 6 1.667 -15.186 -3.290
46 HG3 LYS 6 HG1 LYS 6 1.610 -14.752 -4.999
47 HD2 LYS 6 HD2 LYS 6 3.466 -15.969 -5.238
48 HD3 LYS 6 HD1 LYS 6 4.308 -14.672 -4.389
49 HE2 LYS 6 HE2 LYS 6 4.781 -16.854 -3.390
50 HE3 LYS 6 HE1 LYS 6 3.930 -15.798 -2.264
51 HZ1 LYS 6 HZ1 LYS 6 3.164 -18.215 -2.484
52 HZ2 LYS 6 HZ2 LYS 6 2.451 -17.726 -3.938
53 HZ3 LYS 6 HZ3 LYS 6 1.980 -17.007 -2.482
54 H GLY 7 HN GLY 7 1.872 -11.504 -0.988
55 HA2 GLY 7 HA2 GLY 7 2.958 -9.014 -1.974
56 HA3 GLY 7 HA1 GLY 7 1.714 -9.200 -0.747
57 H LEU 8 HN LEU 8 3.249 -10.958 0.951
58 HA LEU 8 HA LEU 8 4.701 -8.971 2.406
59 HB2 LEU 8 HB2 LEU 8 3.343 -10.967 3.319
60 HB3 LEU 8 HB1 LEU 8 4.773 -11.921 2.972
61 HG LEU 8 HG LEU 8 5.106 -9.462 4.618
62 HD11 LEU 8 HD11 LEU 8 4.323 -11.994 5.980
63 HD12 LEU 8 HD12 LEU 8 3.067 -10.910 5.382
64 HD13 LEU 8 HD13 LEU 8 4.245 -10.331 6.560
65 HD21 LEU 8 HD21 LEU 8 6.927 -10.614 5.525
66 HD22 LEU 8 HD22 LEU 8 6.945 -11.053 3.817
67 HD23 LEU 8 HD23 LEU 8 6.307 -12.183 5.011
68 H ASP 9 HN ASP 9 5.491 -11.609 0.266
69 HA ASP 9 HA ASP 9 8.257 -11.714 0.875
70 HB2 ASP 9 HB2 ASP 9 6.786 -13.469 -0.334
71 HB3 ASP 9 HB1 ASP 9 7.104 -12.517 -1.781
72 H GLY 10 HN GLY 10 6.334 -9.981 -1.502
73 HA2 GLY 10 HA2 GLY 10 8.581 -8.866 -2.885
74 HA3 GLY 10 HA1 GLY 10 6.898 -8.387 -3.067
75 H ALA 11 HN ALA 11 6.537 -7.907 -0.223
76 HA ALA 11 HA ALA 11 7.378 -5.197 -0.189
77 HB1 ALA 11 HB1 ALA 11 6.008 -4.920 1.642
78 HB2 ALA 11 HB2 ALA 11 6.298 -6.556 2.233
79 HB3 ALA 11 HB3 ALA 11 5.256 -6.295 0.834
80 H LYS 12 HN LYS 12 8.054 -7.877 2.034
81 HA LYS 12 HA LYS 12 9.905 -6.654 3.652
82 HB2 LYS 12 HB2 LYS 12 9.114 -9.367 3.055
83 HB3 LYS 12 HB1 LYS 12 10.841 -9.279 3.371
84 HG2 LYS 12 HG2 LYS 12 8.836 -8.024 5.213
85 HG3 LYS 12 HG1 LYS 12 9.294 -9.724 5.345
86 HD2 LYS 12 HD2 LYS 12 11.463 -7.695 5.195
87 HD3 LYS 12 HD1 LYS 12 10.553 -7.827 6.701
88 HE2 LYS 12 HE2 LYS 12 11.018 -10.404 6.332
89 HE3 LYS 12 HE1 LYS 12 12.378 -9.781 5.399
90 HZ1 LYS 12 HZ1 LYS 12 13.033 -10.166 7.671
91 HZ2 LYS 12 HZ2 LYS 12 11.785 -9.180 8.246
92 HZ3 LYS 12 HZ3 LYS 12 13.056 -8.503 7.359
93 H LYS 13 HN LYS 13 10.348 -7.615 0.354
94 HA LYS 13 HA LYS 13 13.256 -7.411 0.611
95 HB2 LYS 13 HB2 LYS 13 13.324 -8.302 -1.675
96 HB3 LYS 13 HB1 LYS 13 12.402 -9.345 -0.598
97 HG2 LYS 13 HG2 LYS 13 10.850 -9.306 -2.203
98 HG3 LYS 13 HG1 LYS 13 10.464 -7.700 -1.574
99 HD2 LYS 13 HD2 LYS 13 11.059 -6.768 -3.497
100 HD3 LYS 13 HD1 LYS 13 12.671 -7.477 -3.371
101 HE2 LYS 13 HE2 LYS 13 10.535 -9.320 -4.219
102 HE3 LYS 13 HE1 LYS 13 10.916 -8.027 -5.356
103 HZ1 LYS 13 HZ1 LYS 13 12.511 -10.314 -4.548
104 HZ2 LYS 13 HZ2 LYS 13 13.359 -8.862 -4.722
105 HZ3 LYS 13 HZ3 LYS 13 12.474 -9.484 -6.022
106 H ALA 14 HN ALA 14 10.756 -6.191 -1.645
107 HA ALA 14 HA ALA 14 12.474 -4.161 -2.667
108 HB1 ALA 14 HB1 ALA 14 9.572 -4.818 -3.040
109 HB2 ALA 14 HB2 ALA 14 10.890 -4.922 -4.206
110 HB3 ALA 14 HB3 ALA 14 10.274 -3.346 -3.709
111 H VAL 15 HN VAL 15 9.813 -4.320 -0.382
112 HA VAL 15 HA VAL 15 9.913 -1.501 0.053
113 HB VAL 15 HB VAL 15 8.331 -3.529 1.610
114 HG11 VAL 15 HG11 VAL 15 6.966 -1.661 2.303
115 HG12 VAL 15 HG12 VAL 15 7.930 -0.555 1.325
116 HG13 VAL 15 HG13 VAL 15 8.650 -1.350 2.725
117 HG21 VAL 15 HG21 VAL 15 7.960 -3.320 -0.951
118 HG22 VAL 15 HG22 VAL 15 7.194 -1.786 -0.539
119 HG23 VAL 15 HG23 VAL 15 6.565 -3.292 0.128
120 H GLY 16 HN GLY 16 10.736 -4.402 1.883
121 HA2 GLY 16 HA2 GLY 16 11.563 -3.051 4.233
122 HA3 GLY 16 HA1 GLY 16 12.004 -4.691 3.781
123 H GLY 17 HN GLY 17 13.303 -4.124 1.351
124 HA2 GLY 17 HA2 GLY 17 15.857 -3.272 2.386
125 HA3 GLY 17 HA1 GLY 17 15.532 -3.871 0.767
126 H LEU 18 HN LEU 18 14.083 -2.266 -0.539
127 HA LEU 18 HA LEU 18 15.543 0.232 -0.576
128 HB2 LEU 18 HB2 LEU 18 15.155 -0.957 -2.661
129 HB3 LEU 18 HB1 LEU 18 13.422 -0.866 -2.415
130 HG LEU 18 HG LEU 18 14.088 1.772 -2.337
131 HD11 LEU 18 HD11 LEU 18 16.412 1.366 -2.881
132 HD12 LEU 18 HD12 LEU 18 15.608 2.182 -4.222
133 HD13 LEU 18 HD13 LEU 18 15.940 0.453 -4.314
134 HD21 LEU 18 HD21 LEU 18 12.419 0.300 -3.753
135 HD22 LEU 18 HD22 LEU 18 13.633 0.547 -5.008
136 HD23 LEU 18 HD23 LEU 18 12.851 1.935 -4.251
137 H GLY 19 HN GLY 19 12.238 -0.846 -0.008
138 HA2 GLY 19 HA2 GLY 19 11.015 1.689 0.055
139 HA3 GLY 19 HA1 GLY 19 10.395 0.239 0.822
140 H LYS 20 HN LYS 20 13.167 0.297 2.287
141 HA LYS 20 HA LYS 20 12.142 1.732 4.580
142 HB2 LYS 20 HB2 LYS 20 14.303 -0.259 4.128
143 HB3 LYS 20 HB1 LYS 20 14.439 0.803 5.523
144 HG2 LYS 20 HG2 LYS 20 11.921 -0.724 5.005
145 HG3 LYS 20 HG1 LYS 20 13.298 -1.484 5.807
146 HD2 LYS 20 HD2 LYS 20 13.014 0.946 7.113
147 HD3 LYS 20 HD1 LYS 20 11.354 0.411 6.840
148 HE2 LYS 20 HE2 LYS 20 11.981 -0.485 8.930
149 HE3 LYS 20 HE1 LYS 20 12.064 -1.827 7.789
150 HZ1 LYS 20 HZ1 LYS 20 13.981 -1.650 9.349
151 HZ2 LYS 20 HZ2 LYS 20 14.421 -0.209 8.581
152 HZ3 LYS 20 HZ3 LYS 20 14.415 -1.660 7.713
153 H LEU 21 HN LEU 21 15.229 1.648 2.879
154 HA LEU 21 HA LEU 21 15.978 4.231 3.939
155 HB2 LEU 21 HB2 LEU 21 18.025 3.960 2.608
156 HB3 LEU 21 HB1 LEU 21 17.722 2.556 3.614
157 HG LEU 21 HG LEU 21 16.549 1.687 1.381
158 HD11 LEU 21 HD11 LEU 21 18.828 3.023 0.075
159 HD12 LEU 21 HD12 LEU 21 17.435 4.042 0.436
160 HD13 LEU 21 HD13 LEU 21 17.239 2.600 -0.561
161 HD21 LEU 21 HD21 LEU 21 19.318 1.543 2.415
162 HD22 LEU 21 HD22 LEU 21 19.039 0.930 0.785
163 HD23 LEU 21 HD23 LEU 21 18.137 0.261 2.145
164 H GLY 22 HN GLY 22 14.140 3.034 1.505
165 HA2 GLY 22 HA2 GLY 22 14.354 5.470 -0.125
166 HA3 GLY 22 HA1 GLY 22 13.814 3.903 -0.725
167 H LYS 23 HN LYS 23 12.680 4.319 2.363
168 HA LYS 23 HA LYS 23 10.010 4.272 1.739
169 HB2 LYS 23 HB2 LYS 23 11.331 4.010 4.022
170 HB3 LYS 23 HB1 LYS 23 10.856 5.690 4.227
171 HG2 LYS 23 HG2 LYS 23 8.489 4.677 3.538
172 HG3 LYS 23 HG1 LYS 23 9.213 3.234 4.250
173 HD2 LYS 23 HD2 LYS 23 8.040 4.383 5.983
174 HD3 LYS 23 HD1 LYS 23 9.767 4.615 6.266
175 HE2 LYS 23 HE2 LYS 23 8.570 6.677 4.579
176 HE3 LYS 23 HE1 LYS 23 7.871 6.599 6.196
177 HZ1 LYS 23 HZ1 LYS 23 10.071 7.967 5.616
178 HZ2 LYS 23 HZ2 LYS 23 10.771 6.492 6.059
179 HZ3 LYS 23 HZ3 LYS 23 9.767 7.311 7.146
180 H ASP 24 HN ASP 24 12.215 6.938 1.914
181 HA ASP 24 HA ASP 24 10.541 9.102 2.272
182 HB2 ASP 24 HB2 ASP 24 12.243 10.438 1.187
183 HB3 ASP 24 HB1 ASP 24 13.024 9.196 2.159
184 H ALA 25 HN ALA 25 11.079 7.178 -0.608
185 HA ALA 25 HA ALA 25 9.610 8.948 -2.346
186 HB1 ALA 25 HB1 ALA 25 11.239 7.710 -3.475
187 HB2 ALA 25 HB2 ALA 25 9.733 6.893 -3.893
188 HB3 ALA 25 HB3 ALA 25 10.795 6.209 -2.662
189 H VAL 26 HN VAL 26 9.082 5.926 -0.665
190 HA VAL 26 HA VAL 26 6.593 5.172 -1.581
191 HB VAL 26 HB VAL 26 7.844 4.948 1.137
192 HG11 VAL 26 HG11 VAL 26 5.167 4.116 0.214
193 HG12 VAL 26 HG12 VAL 26 5.746 4.468 1.843
194 HG13 VAL 26 HG13 VAL 26 6.082 2.901 1.107
195 HG21 VAL 26 HG21 VAL 26 7.443 2.712 -0.808
196 HG22 VAL 26 HG22 VAL 26 8.630 2.867 0.487
197 HG23 VAL 26 HG23 VAL 26 8.802 3.822 -0.986
198 H GLU 27 HN GLU 27 7.470 7.748 0.599
199 HA GLU 27 HA GLU 27 4.895 8.200 1.717
200 HB2 GLU 27 HB2 GLU 27 7.429 9.780 1.493
201 HB3 GLU 27 HB1 GLU 27 5.963 10.549 2.078
202 HG2 GLU 27 HG2 GLU 27 6.708 7.995 3.356
203 HG3 GLU 27 HG1 GLU 27 7.751 9.378 3.682
204 H ASP 28 HN ASP 28 6.808 9.694 -0.830
205 HA ASP 28 HA ASP 28 4.700 11.378 -1.714
206 HB2 ASP 28 HB2 ASP 28 7.399 11.370 -2.119
207 HB3 ASP 28 HB1 ASP 28 6.824 10.725 -3.654
208 H LEU 29 HN LEU 29 5.240 8.098 -1.921
209 HA LEU 29 HA LEU 29 3.763 7.848 -4.448
210 HB2 LEU 29 HB2 LEU 29 5.336 5.824 -2.859
211 HB3 LEU 29 HB1 LEU 29 4.393 5.432 -4.283
212 HG LEU 29 HG LEU 29 6.617 7.454 -4.372
213 HD11 LEU 29 HD11 LEU 29 6.757 4.466 -4.544
214 HD12 LEU 29 HD12 LEU 29 7.785 5.577 -3.641
215 HD13 LEU 29 HD13 LEU 29 7.913 5.489 -5.397
216 HD21 LEU 29 HD21 LEU 29 6.528 6.314 -6.790
217 HD22 LEU 29 HD22 LEU 29 5.547 7.712 -6.350
218 HD23 LEU 29 HD23 LEU 29 4.846 6.094 -6.309
219 H GLU 30 HN GLU 30 3.356 7.889 -1.134
220 HA GLU 30 HA GLU 30 1.277 5.924 -0.988
221 HB2 GLU 30 HB2 GLU 30 2.961 6.977 0.865
222 HB3 GLU 30 HB1 GLU 30 1.498 7.896 1.190
223 HG2 GLU 30 HG2 GLU 30 0.529 5.357 0.998
224 HG3 GLU 30 HG1 GLU 30 2.117 5.090 1.715
225 H SER 31 HN SER 31 1.531 9.362 -1.477
226 HA SER 31 HA SER 31 -1.332 9.706 -1.117
227 HB2 SER 31 HB2 SER 31 0.814 11.380 -0.608
228 HB3 SER 31 HB1 SER 31 0.109 12.053 -2.077
229 HG SER 31 HG SER 31 -1.198 11.562 0.392
230 H VAL 32 HN VAL 32 0.724 8.877 -3.583
231 HA VAL 32 HA VAL 32 -0.483 10.244 -5.736
232 HB VAL 32 HB VAL 32 0.887 7.557 -5.904
233 HG11 VAL 32 HG11 VAL 32 1.228 9.639 -7.969
234 HG12 VAL 32 HG12 VAL 32 -0.381 8.927 -7.848
235 HG13 VAL 32 HG13 VAL 32 1.020 7.896 -8.139
236 HG21 VAL 32 HG21 VAL 32 2.986 8.744 -6.200
237 HG22 VAL 32 HG22 VAL 32 2.284 9.105 -4.624
238 HG23 VAL 32 HG23 VAL 32 2.170 10.284 -5.929
239 H GLY 33 HN GLY 33 -0.676 7.151 -6.692
240 HA2 GLY 33 HA2 GLY 33 -3.520 7.181 -6.859
241 HA3 GLY 33 HA1 GLY 33 -2.468 5.874 -7.379
242 H LYS 34 HN LYS 34 -1.347 6.070 -4.466
243 HA LYS 34 HA LYS 34 -2.894 3.908 -3.458
244 HB2 LYS 34 HB2 LYS 34 -0.788 5.620 -2.130
245 HB3 LYS 34 HB1 LYS 34 -1.472 4.161 -1.427
246 HG2 LYS 34 HG2 LYS 34 -0.280 3.975 -4.139
247 HG3 LYS 34 HG1 LYS 34 0.805 4.136 -2.756
248 HD2 LYS 34 HD2 LYS 34 0.630 1.905 -2.606
249 HD3 LYS 34 HD1 LYS 34 -0.947 2.228 -1.884
250 HE2 LYS 34 HE2 LYS 34 -1.429 2.335 -4.607
251 HE3 LYS 34 HE1 LYS 34 -0.278 1.010 -4.436
252 HZ1 LYS 34 HZ1 LYS 34 -2.393 0.060 -4.204
253 HZ2 LYS 34 HZ2 LYS 34 -2.941 1.284 -3.174
254 HZ3 LYS 34 HZ3 LYS 34 -1.796 0.167 -2.624
255 H GLY 35 HN GLY 35 -2.954 7.362 -2.999
256 HA2 GLY 35 HA2 GLY 35 -4.718 7.179 -0.692
257 HA3 GLY 35 HA1 GLY 35 -4.116 8.655 -1.430
258 H ALA 36 HN ALA 36 -4.992 7.513 -4.118
259 HA ALA 36 HA ALA 36 -7.569 8.745 -4.141
260 HB1 ALA 36 HB1 ALA 36 -5.787 8.672 -6.014
261 HB2 ALA 36 HB2 ALA 36 -7.491 8.558 -6.454
262 HB3 ALA 36 HB3 ALA 36 -6.494 7.104 -6.404
263 H VAL 37 HN VAL 37 -6.372 5.505 -3.880
264 HA VAL 37 HA VAL 37 -8.737 4.159 -4.662
265 HB VAL 37 HB VAL 37 -6.604 3.110 -2.808
266 HG11 VAL 37 HG11 VAL 37 -7.417 1.007 -4.283
267 HG12 VAL 37 HG12 VAL 37 -8.912 1.940 -4.218
268 HG13 VAL 37 HG13 VAL 37 -8.118 1.441 -2.724
269 HG21 VAL 37 HG21 VAL 37 -5.175 3.340 -4.504
270 HG22 VAL 37 HG22 VAL 37 -6.459 3.806 -5.619
271 HG23 VAL 37 HG23 VAL 37 -6.109 2.100 -5.342
272 H HIS 38 HN HIS 38 -7.283 4.616 -1.460
273 HA HIS 38 HA HIS 38 -9.515 3.732 0.001
274 HB2 HIS 38 HB2 HIS 38 -7.277 3.875 0.988
275 HB3 HIS 38 HB1 HIS 38 -7.305 5.628 0.830
276 HD1 HIS 38 HD1 HIS 38 -7.989 3.005 3.191
277 HD2 HIS 38 HD2 HIS 38 -9.509 6.802 2.457
278 HE1 HIS 38 HE1 HIS 38 -9.188 3.669 5.300
279 HE2 HIS 38 HE2 HIS 38 -10.176 5.932 4.800
280 H ASP 39 HN ASP 39 -8.841 6.696 -1.616
281 HA ASP 39 HA ASP 39 -10.410 8.484 -0.135
282 HB2 ASP 39 HB2 ASP 39 -8.927 8.567 -2.510
283 HB3 ASP 39 HB1 ASP 39 -10.564 9.016 -2.979
284 H VAL 40 HN VAL 40 -11.263 6.228 -2.700
285 HA VAL 40 HA VAL 40 -13.998 7.104 -2.837
286 HB VAL 40 HB VAL 40 -12.840 4.532 -3.914
287 HG11 VAL 40 HG11 VAL 40 -15.434 5.904 -4.119
288 HG12 VAL 40 HG12 VAL 40 -15.034 4.195 -4.289
289 HG13 VAL 40 HG13 VAL 40 -14.776 5.299 -5.639
290 HG21 VAL 40 HG21 VAL 40 -11.670 6.695 -4.627
291 HG22 VAL 40 HG22 VAL 40 -13.165 7.071 -5.484
292 HG23 VAL 40 HG23 VAL 40 -12.250 5.622 -5.901
293 H LYS 41 HN LYS 41 -12.208 4.584 -1.188
294 HA LYS 41 HA LYS 41 -14.344 2.950 -0.409
295 HB2 LYS 41 HB2 LYS 41 -11.587 3.444 0.624
296 HB3 LYS 41 HB1 LYS 41 -12.705 2.530 1.626
297 HG2 LYS 41 HG2 LYS 41 -12.080 1.821 -1.228
298 HG3 LYS 41 HG1 LYS 41 -11.213 1.160 0.159
299 HD2 LYS 41 HD2 LYS 41 -13.208 0.141 1.005
300 HD3 LYS 41 HD1 LYS 41 -14.199 0.961 -0.203
301 HE2 LYS 41 HE2 LYS 41 -13.904 -1.297 -0.916
302 HE3 LYS 41 HE1 LYS 41 -12.930 -0.270 -1.967
303 HZ1 LYS 41 HZ1 LYS 41 -10.975 -0.992 -0.999
304 HZ2 LYS 41 HZ2 LYS 41 -11.900 -2.408 -1.028
305 HZ3 LYS 41 HZ3 LYS 41 -11.734 -1.536 0.412
306 H ASP 42 HN ASP 42 -13.162 5.977 0.869
307 HA ASP 42 HA ASP 42 -14.605 5.837 3.333
308 HB2 ASP 42 HB2 ASP 42 -12.850 7.751 1.978
309 HB3 ASP 42 HB1 ASP 42 -14.142 8.519 2.895
310 H VAL 43 HN VAL 43 -15.227 7.158 0.140
311 HA VAL 43 HA VAL 43 -17.664 8.473 0.926
312 HB VAL 43 HB VAL 43 -16.724 7.826 -1.870
313 HG11 VAL 43 HG11 VAL 43 -18.410 9.096 -2.654
314 HG12 VAL 43 HG12 VAL 43 -18.312 10.240 -1.316
315 HG13 VAL 43 HG13 VAL 43 -19.160 8.708 -1.106
316 HG21 VAL 43 HG21 VAL 43 -16.362 10.556 -0.854
317 HG22 VAL 43 HG22 VAL 43 -15.300 9.565 -1.854
318 HG23 VAL 43 HG23 VAL 43 -15.323 9.343 -0.105
319 H LEU 44 HN LEU 44 -16.723 5.393 -0.419
320 HA LEU 44 HA LEU 44 -19.358 4.615 -1.205
321 HB2 LEU 44 HB2 LEU 44 -16.719 3.604 -1.489
322 HB3 LEU 44 HB1 LEU 44 -17.688 2.344 -0.750
323 HG LEU 44 HG LEU 44 -19.315 2.545 -2.613
324 HD11 LEU 44 HD11 LEU 44 -19.049 3.959 -4.398
325 HD12 LEU 44 HD12 LEU 44 -17.311 4.126 -4.148
326 HD13 LEU 44 HD13 LEU 44 -18.440 4.966 -3.085
327 HD21 LEU 44 HD21 LEU 44 -18.119 1.185 -4.042
328 HD22 LEU 44 HD22 LEU 44 -17.201 1.030 -2.543
329 HD23 LEU 44 HD23 LEU 44 -16.623 2.094 -3.826
330 H ASP 45 HN ASP 45 -17.462 4.400 1.703
331 HA ASP 45 HA ASP 45 -18.881 2.347 3.006
332 HB2 ASP 45 HB2 ASP 45 -16.654 3.772 3.595
333 HB3 ASP 45 HB1 ASP 45 -17.808 4.531 4.688
334 H SER 46 HN SER 46 -19.610 5.692 2.458
335 HA SER 46 HA SER 46 -21.667 5.790 4.494
336 HB2 SER 46 HB2 SER 46 -20.519 7.727 2.528
337 HB3 SER 46 HB1 SER 46 -22.124 8.045 3.184
338 HG SER 46 HG SER 46 -19.702 7.716 4.620
339 H VAL 47 HN VAL 47 -21.406 5.255 1.055
340 HA VAL 47 HA VAL 47 -24.273 5.429 0.648
341 HB VAL 47 HB VAL 47 -22.187 4.486 -1.317
342 HG11 VAL 47 HG11 VAL 47 -24.683 5.851 -2.139
343 HG12 VAL 47 HG12 VAL 47 -24.828 4.199 -1.538
344 HG13 VAL 47 HG13 VAL 47 -23.791 4.546 -2.922
345 HG21 VAL 47 HG21 VAL 47 -21.936 6.693 -2.103
346 HG22 VAL 47 HG22 VAL 47 -21.803 6.805 -0.348
347 HG23 VAL 47 HG23 VAL 47 -23.302 7.273 -1.150
348 H LEU 48 HN LEU 48 -21.785 2.977 0.961
349 HA LEU 48 HA LEU 48 -21.873 0.722 1.233
350 HB2 LEU 48 HB2 LEU 48 -23.486 1.399 3.015
351 HB3 LEU 48 HB1 LEU 48 -24.789 1.179 1.862
352 HG LEU 48 HG LEU 48 -24.098 -1.224 1.651
353 HD11 LEU 48 HD11 LEU 48 -22.389 -2.124 2.802
354 HD12 LEU 48 HD12 LEU 48 -22.669 -1.112 4.218
355 HD13 LEU 48 HD13 LEU 48 -21.792 -0.465 2.832
356 HD21 LEU 48 HD21 LEU 48 -24.849 -1.723 4.119
357 HD22 LEU 48 HD22 LEU 48 -25.968 -1.009 2.957
358 HD23 LEU 48 HD23 LEU 48 -25.157 0.013 4.144
Start of MODEL 18
1 H1 SER 1 HT1 SER 1 2.309 -24.667 -3.779
2 H2 SER 1 HT2 SER 1 1.346 -24.624 -2.358
3 H3 SER 1 HT3 SER 1 3.014 -24.225 -2.280
4 HA SER 1 HA SER 1 2.682 -22.304 -3.581
5 HB2 SER 1 HB2 SER 1 0.414 -21.691 -4.326
6 HB3 SER 1 HB1 SER 1 0.908 -23.239 -5.011
7 HG SER 1 HG SER 1 -1.221 -22.695 -3.503
8 H SER 2 HN SER 2 2.297 -20.360 -2.537
9 HA SER 2 HA SER 2 0.603 -20.252 -0.200
10 HB2 SER 2 HB2 SER 2 3.082 -21.153 0.325
11 HB3 SER 2 HB1 SER 2 3.393 -19.418 0.386
12 HG SER 2 HG SER 2 2.030 -19.214 2.064
13 H LEU 3 HN LEU 3 -0.246 -18.277 -0.005
14 HA LEU 3 HA LEU 3 0.466 -16.222 -1.851
15 HB2 LEU 3 HB2 LEU 3 -1.381 -16.138 0.537
16 HB3 LEU 3 HB1 LEU 3 -1.269 -14.900 -0.700
17 HG LEU 3 HG LEU 3 -1.851 -16.906 -2.311
18 HD11 LEU 3 HD11 LEU 3 -3.653 -18.245 -0.933
19 HD12 LEU 3 HD12 LEU 3 -2.555 -17.895 0.402
20 HD13 LEU 3 HD13 LEU 3 -1.974 -18.778 -1.010
21 HD21 LEU 3 HD21 LEU 3 -3.887 -15.947 -2.498
22 HD22 LEU 3 HD22 LEU 3 -3.185 -14.759 -1.400
23 HD23 LEU 3 HD23 LEU 3 -4.213 -16.045 -0.768
24 H LEU 4 HN LEU 4 1.179 -16.892 1.499
25 HA LEU 4 HA LEU 4 2.165 -14.296 2.146
26 HB2 LEU 4 HB2 LEU 4 2.735 -16.953 3.462
27 HB3 LEU 4 HB1 LEU 4 3.083 -15.377 4.147
28 HG LEU 4 HG LEU 4 0.269 -15.789 3.385
29 HD11 LEU 4 HD11 LEU 4 1.375 -17.259 5.769
30 HD12 LEU 4 HD12 LEU 4 0.949 -18.033 4.243
31 HD13 LEU 4 HD13 LEU 4 -0.294 -17.229 5.200
32 HD21 LEU 4 HD21 LEU 4 1.818 -14.586 5.647
33 HD22 LEU 4 HD22 LEU 4 0.087 -14.887 5.800
34 HD23 LEU 4 HD23 LEU 4 0.687 -13.817 4.533
35 H GLU 5 HN GLU 5 3.519 -17.102 0.619
36 HA GLU 5 HA GLU 5 6.259 -16.348 1.016
37 HB2 GLU 5 HB2 GLU 5 4.868 -18.428 -0.652
38 HB3 GLU 5 HB1 GLU 5 6.587 -18.115 -0.847
39 HG2 GLU 5 HG2 GLU 5 6.677 -18.464 1.723
40 HG3 GLU 5 HG1 GLU 5 5.127 -19.270 1.484
41 H LYS 6 HN LYS 6 3.777 -15.779 -1.354
42 HA LYS 6 HA LYS 6 5.694 -14.555 -3.178
43 HB2 LYS 6 HB2 LYS 6 2.746 -15.123 -3.499
44 HB3 LYS 6 HB1 LYS 6 3.762 -14.388 -4.731
45 HG2 LYS 6 HG2 LYS 6 4.113 -17.148 -3.580
46 HG3 LYS 6 HG1 LYS 6 3.409 -16.761 -5.150
47 HD2 LYS 6 HD2 LYS 6 5.463 -16.925 -6.000
48 HD3 LYS 6 HD1 LYS 6 5.856 -15.437 -5.136
49 HE2 LYS 6 HE2 LYS 6 7.060 -16.516 -3.562
50 HE3 LYS 6 HE1 LYS 6 5.968 -17.901 -3.530
51 HZ1 LYS 6 HZ1 LYS 6 7.056 -18.221 -5.921
52 HZ2 LYS 6 HZ2 LYS 6 7.721 -18.889 -4.517
53 HZ3 LYS 6 HZ3 LYS 6 8.345 -17.448 -5.145
54 H GLY 7 HN GLY 7 3.206 -13.736 -0.903
55 HA2 GLY 7 HA2 GLY 7 2.865 -11.037 -1.860
56 HA3 GLY 7 HA1 GLY 7 2.190 -11.716 -0.389
57 H LEU 8 HN LEU 8 4.469 -12.531 0.941
58 HA LEU 8 HA LEU 8 5.414 -10.031 1.952
59 HB2 LEU 8 HB2 LEU 8 5.175 -12.610 2.938
60 HB3 LEU 8 HB1 LEU 8 6.908 -12.381 2.812
61 HG LEU 8 HG LEU 8 5.418 -10.174 4.093
62 HD11 LEU 8 HD11 LEU 8 4.378 -12.374 4.899
63 HD12 LEU 8 HD12 LEU 8 4.971 -11.244 6.116
64 HD13 LEU 8 HD13 LEU 8 5.930 -12.661 5.687
65 HD21 LEU 8 HD21 LEU 8 8.024 -10.765 3.777
66 HD22 LEU 8 HD22 LEU 8 7.731 -11.492 5.357
67 HD23 LEU 8 HD23 LEU 8 7.397 -9.780 5.099
68 H ASP 9 HN ASP 9 6.642 -12.487 -0.198
69 HA ASP 9 HA ASP 9 9.350 -11.841 -0.160
70 HB2 ASP 9 HB2 ASP 9 7.533 -13.270 -1.990
71 HB3 ASP 9 HB1 ASP 9 8.989 -12.626 -2.740
72 H GLY 10 HN GLY 10 6.696 -10.481 -2.038
73 HA2 GLY 10 HA2 GLY 10 8.369 -8.738 -3.577
74 HA3 GLY 10 HA1 GLY 10 6.613 -8.686 -3.482
75 H ALA 11 HN ALA 11 6.583 -8.513 -0.585
76 HA ALA 11 HA ALA 11 6.762 -5.687 -0.372
77 HB1 ALA 11 HB1 ALA 11 5.091 -7.266 0.766
78 HB2 ALA 11 HB2 ALA 11 5.704 -5.895 1.689
79 HB3 ALA 11 HB3 ALA 11 6.360 -7.508 1.966
80 H LYS 12 HN LYS 12 8.351 -8.276 1.457
81 HA LYS 12 HA LYS 12 10.084 -6.749 2.953
82 HB2 LYS 12 HB2 LYS 12 10.143 -9.554 1.953
83 HB3 LYS 12 HB1 LYS 12 11.597 -8.907 2.700
84 HG2 LYS 12 HG2 LYS 12 8.891 -8.875 4.012
85 HG3 LYS 12 HG1 LYS 12 10.086 -10.153 4.243
86 HD2 LYS 12 HD2 LYS 12 10.819 -8.902 5.952
87 HD3 LYS 12 HD1 LYS 12 11.558 -7.892 4.708
88 HE2 LYS 12 HE2 LYS 12 8.997 -6.937 4.780
89 HE3 LYS 12 HE1 LYS 12 9.282 -7.355 6.469
90 HZ1 LYS 12 HZ1 LYS 12 10.840 -5.487 4.777
91 HZ2 LYS 12 HZ2 LYS 12 11.397 -6.049 6.272
92 HZ3 LYS 12 HZ3 LYS 12 9.976 -5.135 6.190
93 H LYS 13 HN LYS 13 10.268 -7.356 -0.448
94 HA LYS 13 HA LYS 13 13.082 -6.566 -0.522
95 HB2 LYS 13 HB2 LYS 13 13.005 -7.217 -2.882
96 HB3 LYS 13 HB1 LYS 13 12.433 -8.516 -1.842
97 HG2 LYS 13 HG2 LYS 13 10.711 -8.623 -3.261
98 HG3 LYS 13 HG1 LYS 13 10.119 -7.201 -2.394
99 HD2 LYS 13 HD2 LYS 13 10.282 -5.968 -4.232
100 HD3 LYS 13 HD1 LYS 13 11.996 -6.364 -4.380
101 HE2 LYS 13 HE2 LYS 13 10.944 -8.647 -5.301
102 HE3 LYS 13 HE1 LYS 13 9.644 -7.541 -5.741
103 HZ1 LYS 13 HZ1 LYS 13 10.850 -7.072 -7.529
104 HZ2 LYS 13 HZ2 LYS 13 12.214 -7.875 -6.933
105 HZ3 LYS 13 HZ3 LYS 13 11.935 -6.260 -6.515
106 H ALA 14 HN ALA 14 10.097 -5.679 -2.292
107 HA ALA 14 HA ALA 14 11.227 -3.249 -3.259
108 HB1 ALA 14 HB1 ALA 14 8.617 -2.893 -3.715
109 HB2 ALA 14 HB2 ALA 14 8.627 -4.642 -3.488
110 HB3 ALA 14 HB3 ALA 14 9.635 -3.909 -4.735
111 H VAL 15 HN VAL 15 8.985 -4.179 -0.723
112 HA VAL 15 HA VAL 15 8.622 -1.460 0.072
113 HB VAL 15 HB VAL 15 7.685 -3.889 1.572
114 HG11 VAL 15 HG11 VAL 15 6.481 -2.511 2.886
115 HG12 VAL 15 HG12 VAL 15 6.150 -1.376 1.577
116 HG13 VAL 15 HG13 VAL 15 7.704 -1.333 2.410
117 HG21 VAL 15 HG21 VAL 15 6.044 -2.329 -0.403
118 HG22 VAL 15 HG22 VAL 15 5.681 -3.887 0.340
119 HG23 VAL 15 HG23 VAL 15 6.961 -3.763 -0.867
120 H GLY 16 HN GLY 16 10.155 -4.338 1.423
121 HA2 GLY 16 HA2 GLY 16 11.082 -3.039 3.784
122 HA3 GLY 16 HA1 GLY 16 11.635 -4.591 3.170
123 H GLY 17 HN GLY 17 12.610 -3.810 0.678
124 HA2 GLY 17 HA2 GLY 17 15.133 -2.675 1.485
125 HA3 GLY 17 HA1 GLY 17 14.720 -3.272 -0.114
126 H LEU 18 HN LEU 18 12.713 -1.761 -0.975
127 HA LEU 18 HA LEU 18 13.984 0.814 -1.313
128 HB2 LEU 18 HB2 LEU 18 12.692 -0.774 -3.041
129 HB3 LEU 18 HB1 LEU 18 11.356 0.254 -2.556
130 HG LEU 18 HG LEU 18 13.932 1.485 -3.462
131 HD11 LEU 18 HD11 LEU 18 12.495 1.582 -5.714
132 HD12 LEU 18 HD12 LEU 18 11.970 0.012 -5.107
133 HD13 LEU 18 HD13 LEU 18 13.684 0.322 -5.385
134 HD21 LEU 18 HD21 LEU 18 12.632 3.206 -2.776
135 HD22 LEU 18 HD22 LEU 18 11.130 2.313 -3.019
136 HD23 LEU 18 HD23 LEU 18 11.960 3.034 -4.398
137 H GLY 19 HN GLY 19 10.944 -0.430 -0.018
138 HA2 GLY 19 HA2 GLY 19 9.732 2.064 0.487
139 HA3 GLY 19 HA1 GLY 19 9.319 0.552 1.274
140 H LYS 20 HN LYS 20 12.356 0.597 2.071
141 HA LYS 20 HA LYS 20 11.862 1.855 4.630
142 HB2 LYS 20 HB2 LYS 20 13.896 -0.034 3.565
143 HB3 LYS 20 HB1 LYS 20 14.324 0.939 4.966
144 HG2 LYS 20 HG2 LYS 20 11.774 -0.618 4.928
145 HG3 LYS 20 HG1 LYS 20 13.306 -1.404 5.321
146 HD2 LYS 20 HD2 LYS 20 13.663 0.311 7.087
147 HD3 LYS 20 HD1 LYS 20 12.052 0.944 6.741
148 HE2 LYS 20 HE2 LYS 20 11.381 -0.477 8.341
149 HE3 LYS 20 HE1 LYS 20 11.531 -1.704 7.084
150 HZ1 LYS 20 HZ1 LYS 20 12.752 -1.856 9.438
151 HZ2 LYS 20 HZ2 LYS 20 13.962 -1.082 8.546
152 HZ3 LYS 20 HZ3 LYS 20 13.359 -2.576 8.033
153 H LEU 21 HN LEU 21 14.485 1.970 2.275
154 HA LEU 21 HA LEU 21 15.411 4.502 3.316
155 HB2 LEU 21 HB2 LEU 21 16.312 3.173 0.764
156 HB3 LEU 21 HB1 LEU 21 17.185 4.357 1.719
157 HG LEU 21 HG LEU 21 16.520 1.686 2.901
158 HD11 LEU 21 HD11 LEU 21 19.028 1.267 2.084
159 HD12 LEU 21 HD12 LEU 21 18.457 2.264 0.745
160 HD13 LEU 21 HD13 LEU 21 17.618 0.766 1.150
161 HD21 LEU 21 HD21 LEU 21 18.016 2.241 4.498
162 HD22 LEU 21 HD22 LEU 21 17.632 3.882 3.979
163 HD23 LEU 21 HD23 LEU 21 19.078 3.079 3.367
164 H GLY 22 HN GLY 22 13.103 3.392 1.264
165 HA2 GLY 22 HA2 GLY 22 12.883 5.947 -0.176
166 HA3 GLY 22 HA1 GLY 22 12.274 4.403 -0.770
167 H LYS 23 HN LYS 23 11.874 4.695 2.547
168 HA LYS 23 HA LYS 23 9.116 4.512 2.504
169 HB2 LYS 23 HB2 LYS 23 10.950 4.202 4.421
170 HB3 LYS 23 HB1 LYS 23 10.402 5.816 4.852
171 HG2 LYS 23 HG2 LYS 23 8.177 4.040 4.351
172 HG3 LYS 23 HG1 LYS 23 9.252 3.407 5.598
173 HD2 LYS 23 HD2 LYS 23 9.104 5.969 6.389
174 HD3 LYS 23 HD1 LYS 23 7.528 5.809 5.611
175 HE2 LYS 23 HE2 LYS 23 7.390 3.604 7.003
176 HE3 LYS 23 HE1 LYS 23 8.627 4.378 7.992
177 HZ1 LYS 23 HZ1 LYS 23 6.766 5.131 9.025
178 HZ2 LYS 23 HZ2 LYS 23 5.818 5.103 7.624
179 HZ3 LYS 23 HZ3 LYS 23 6.923 6.359 7.870
180 H ASP 24 HN ASP 24 11.249 7.278 2.598
181 HA ASP 24 HA ASP 24 9.379 9.251 3.290
182 HB2 ASP 24 HB2 ASP 24 11.935 9.436 3.175
183 HB3 ASP 24 HB1 ASP 24 11.718 9.725 1.452
184 H ALA 25 HN ALA 25 10.243 7.813 0.206
185 HA ALA 25 HA ALA 25 8.632 9.633 -1.344
186 HB1 ALA 25 HB1 ALA 25 9.501 8.616 -3.189
187 HB2 ALA 25 HB2 ALA 25 9.447 7.009 -2.465
188 HB3 ALA 25 HB3 ALA 25 10.730 8.135 -2.019
189 H VAL 26 HN VAL 26 8.424 6.334 -0.185
190 HA VAL 26 HA VAL 26 6.079 5.454 -1.332
191 HB VAL 26 HB VAL 26 7.265 4.950 1.376
192 HG11 VAL 26 HG11 VAL 26 5.219 4.140 1.914
193 HG12 VAL 26 HG12 VAL 26 5.752 2.751 0.967
194 HG13 VAL 26 HG13 VAL 26 4.724 3.981 0.229
195 HG21 VAL 26 HG21 VAL 26 7.502 2.643 -0.033
196 HG22 VAL 26 HG22 VAL 26 8.741 3.895 0.054
197 HG23 VAL 26 HG23 VAL 26 7.631 3.846 -1.316
198 H GLU 27 HN GLU 27 6.548 7.719 1.282
199 HA GLU 27 HA GLU 27 3.890 7.679 2.293
200 HB2 GLU 27 HB2 GLU 27 6.197 9.590 2.486
201 HB3 GLU 27 HB1 GLU 27 4.629 9.993 3.167
202 HG2 GLU 27 HG2 GLU 27 4.923 7.622 4.304
203 HG3 GLU 27 HG1 GLU 27 6.628 7.992 4.053
204 H ASP 28 HN ASP 28 5.725 9.831 0.198
205 HA ASP 28 HA ASP 28 3.446 11.365 -0.536
206 HB2 ASP 28 HB2 ASP 28 6.188 11.721 -0.733
207 HB3 ASP 28 HB1 ASP 28 5.689 11.485 -2.405
208 H LEU 29 HN LEU 29 4.497 8.298 -1.313
209 HA LEU 29 HA LEU 29 3.246 8.369 -3.972
210 HB2 LEU 29 HB2 LEU 29 5.020 6.315 -2.659
211 HB3 LEU 29 HB1 LEU 29 4.232 6.074 -4.205
212 HG LEU 29 HG LEU 29 6.094 8.387 -3.740
213 HD11 LEU 29 HD11 LEU 29 6.731 5.531 -4.122
214 HD12 LEU 29 HD12 LEU 29 7.674 6.816 -3.368
215 HD13 LEU 29 HD13 LEU 29 7.622 6.675 -5.125
216 HD21 LEU 29 HD21 LEU 29 6.347 7.711 -6.316
217 HD22 LEU 29 HD22 LEU 29 5.119 8.835 -5.733
218 HD23 LEU 29 HD23 LEU 29 4.699 7.149 -6.033
219 H GLU 30 HN GLU 30 2.635 7.653 -0.764
220 HA GLU 30 HA GLU 30 0.871 5.441 -1.209
221 HB2 GLU 30 HB2 GLU 30 2.116 5.602 0.884
222 HB3 GLU 30 HB1 GLU 30 1.334 7.133 1.248
223 HG2 GLU 30 HG2 GLU 30 -0.853 5.902 1.230
224 HG3 GLU 30 HG1 GLU 30 0.077 4.407 1.135
225 H SER 31 HN SER 31 0.638 8.902 -1.012
226 HA SER 31 HA SER 31 -2.262 8.784 -0.832
227 HB2 SER 31 HB2 SER 31 -0.227 10.910 -0.435
228 HB3 SER 31 HB1 SER 31 -1.817 11.417 -1.004
229 HG SER 31 HG SER 31 -2.736 10.527 0.816
230 H VAL 32 HN VAL 32 0.044 8.776 -3.222
231 HA VAL 32 HA VAL 32 -1.226 10.383 -5.158
232 HB VAL 32 HB VAL 32 0.545 8.005 -5.734
233 HG11 VAL 32 HG11 VAL 32 -0.800 9.568 -7.472
234 HG12 VAL 32 HG12 VAL 32 0.755 8.819 -7.836
235 HG13 VAL 32 HG13 VAL 32 0.689 10.500 -7.306
236 HG21 VAL 32 HG21 VAL 32 1.609 9.428 -4.051
237 HG22 VAL 32 HG22 VAL 32 1.396 10.826 -5.103
238 HG23 VAL 32 HG23 VAL 32 2.452 9.502 -5.597
239 H GLY 33 HN GLY 33 -0.888 7.563 -6.723
240 HA2 GLY 33 HA2 GLY 33 -3.630 7.256 -7.275
241 HA3 GLY 33 HA1 GLY 33 -2.367 6.119 -7.722
242 H LYS 34 HN LYS 34 -1.600 5.892 -4.812
243 HA LYS 34 HA LYS 34 -3.307 3.669 -4.222
244 HB2 LYS 34 HB2 LYS 34 -0.835 3.816 -3.701
245 HB3 LYS 34 HB1 LYS 34 -1.253 4.919 -2.397
246 HG2 LYS 34 HG2 LYS 34 -1.062 2.865 -1.340
247 HG3 LYS 34 HG1 LYS 34 -2.802 3.045 -1.577
248 HD2 LYS 34 HD2 LYS 34 -2.070 0.790 -2.155
249 HD3 LYS 34 HD1 LYS 34 -2.674 1.641 -3.578
250 HE2 LYS 34 HE2 LYS 34 0.152 2.090 -3.253
251 HE3 LYS 34 HE1 LYS 34 -0.200 0.362 -3.272
252 HZ1 LYS 34 HZ1 LYS 34 -1.183 2.270 -5.321
253 HZ2 LYS 34 HZ2 LYS 34 -1.283 0.582 -5.366
254 HZ3 LYS 34 HZ3 LYS 34 0.222 1.343 -5.493
255 H GLY 35 HN GLY 35 -3.081 6.994 -3.190
256 HA2 GLY 35 HA2 GLY 35 -4.888 6.607 -0.953
257 HA3 GLY 35 HA1 GLY 35 -4.192 8.131 -1.483
258 H ALA 36 HN ALA 36 -5.127 7.431 -4.299
259 HA ALA 36 HA ALA 36 -7.623 8.810 -4.137
260 HB1 ALA 36 HB1 ALA 36 -6.800 7.456 -6.649
261 HB2 ALA 36 HB2 ALA 36 -5.770 8.747 -6.030
262 HB3 ALA 36 HB3 ALA 36 -7.464 9.070 -6.397
263 H VAL 37 HN VAL 37 -6.624 5.499 -4.341
264 HA VAL 37 HA VAL 37 -9.066 4.421 -5.288
265 HB VAL 37 HB VAL 37 -6.978 3.011 -3.628
266 HG11 VAL 37 HG11 VAL 37 -9.352 2.145 -5.176
267 HG12 VAL 37 HG12 VAL 37 -8.660 1.483 -3.696
268 HG13 VAL 37 HG13 VAL 37 -7.916 1.125 -5.254
269 HG21 VAL 37 HG21 VAL 37 -6.964 2.644 -6.542
270 HG22 VAL 37 HG22 VAL 37 -5.621 2.809 -5.411
271 HG23 VAL 37 HG23 VAL 37 -6.467 4.244 -5.991
272 H HIS 38 HN HIS 38 -7.593 4.334 -2.063
273 HA HIS 38 HA HIS 38 -9.924 3.419 -0.752
274 HB2 HIS 38 HB2 HIS 38 -7.683 3.134 0.207
275 HB3 HIS 38 HB1 HIS 38 -7.524 4.879 0.377
276 HD1 HIS 38 HD1 HIS 38 -8.485 1.952 2.224
277 HD2 HIS 38 HD2 HIS 38 -9.619 5.949 2.215
278 HE1 HIS 38 HE1 HIS 38 -9.627 2.331 4.432
279 HE2 HIS 38 HE2 HIS 38 -10.392 4.731 4.362
280 H ASP 39 HN ASP 39 -8.902 6.526 -1.829
281 HA ASP 39 HA ASP 39 -10.237 8.204 -0.038
282 HB2 ASP 39 HB2 ASP 39 -8.979 8.444 -2.631
283 HB3 ASP 39 HB1 ASP 39 -10.442 9.421 -2.562
284 H VAL 40 HN VAL 40 -11.420 6.343 -2.756
285 HA VAL 40 HA VAL 40 -13.959 7.612 -2.945
286 HB VAL 40 HB VAL 40 -13.281 4.797 -3.798
287 HG11 VAL 40 HG11 VAL 40 -15.135 6.476 -5.351
288 HG12 VAL 40 HG12 VAL 40 -15.703 5.985 -3.755
289 HG13 VAL 40 HG13 VAL 40 -15.226 4.764 -4.935
290 HG21 VAL 40 HG21 VAL 40 -13.078 6.214 -6.070
291 HG22 VAL 40 HG22 VAL 40 -11.700 5.840 -5.035
292 HG23 VAL 40 HG23 VAL 40 -12.490 7.412 -4.918
293 H LYS 41 HN LYS 41 -12.704 4.889 -1.119
294 HA LYS 41 HA LYS 41 -15.162 3.826 -0.252
295 HB2 LYS 41 HB2 LYS 41 -12.764 2.849 -0.080
296 HB3 LYS 41 HB1 LYS 41 -12.672 3.751 1.427
297 HG2 LYS 41 HG2 LYS 41 -14.954 1.890 0.914
298 HG3 LYS 41 HG1 LYS 41 -13.399 1.276 1.476
299 HD2 LYS 41 HD2 LYS 41 -14.211 3.574 3.020
300 HD3 LYS 41 HD1 LYS 41 -15.469 2.336 3.031
301 HE2 LYS 41 HE2 LYS 41 -12.740 1.324 3.412
302 HE3 LYS 41 HE1 LYS 41 -13.319 2.383 4.696
303 HZ1 LYS 41 HZ1 LYS 41 -14.549 -0.141 3.745
304 HZ2 LYS 41 HZ2 LYS 41 -15.344 0.940 4.775
305 HZ3 LYS 41 HZ3 LYS 41 -13.915 0.188 5.279
306 H ASP 42 HN ASP 42 -13.200 6.482 0.903
307 HA ASP 42 HA ASP 42 -14.523 6.796 3.403
308 HB2 ASP 42 HB2 ASP 42 -12.544 8.320 1.812
309 HB3 ASP 42 HB1 ASP 42 -13.508 9.258 2.948
310 H VAL 43 HN VAL 43 -14.979 8.150 0.189
311 HA VAL 43 HA VAL 43 -17.038 9.975 1.030
312 HB VAL 43 HB VAL 43 -16.401 9.102 -1.788
313 HG11 VAL 43 HG11 VAL 43 -18.342 10.275 -2.018
314 HG12 VAL 43 HG12 VAL 43 -17.198 11.616 -2.049
315 HG13 VAL 43 HG13 VAL 43 -18.066 11.233 -0.563
316 HG21 VAL 43 HG21 VAL 43 -15.196 11.342 -0.166
317 HG22 VAL 43 HG22 VAL 43 -14.965 11.107 -1.899
318 HG23 VAL 43 HG23 VAL 43 -14.364 9.904 -0.758
319 H LEU 44 HN LEU 44 -16.858 6.760 -0.342
320 HA LEU 44 HA LEU 44 -19.509 6.478 -1.183
321 HB2 LEU 44 HB2 LEU 44 -17.248 4.875 -1.092
322 HB3 LEU 44 HB1 LEU 44 -18.387 4.040 -0.053
323 HG LEU 44 HG LEU 44 -19.942 4.609 -2.235
324 HD11 LEU 44 HD11 LEU 44 -17.681 5.363 -3.277
325 HD12 LEU 44 HD12 LEU 44 -18.794 4.369 -4.217
326 HD13 LEU 44 HD13 LEU 44 -17.393 3.631 -3.441
327 HD21 LEU 44 HD21 LEU 44 -20.080 2.492 -1.287
328 HD22 LEU 44 HD22 LEU 44 -18.344 2.209 -1.424
329 HD23 LEU 44 HD23 LEU 44 -19.360 2.177 -2.866
330 H ASP 45 HN ASP 45 -18.056 6.265 1.983
331 HA ASP 45 HA ASP 45 -20.224 4.980 3.287
332 HB2 ASP 45 HB2 ASP 45 -17.661 5.669 3.996
333 HB3 ASP 45 HB1 ASP 45 -18.622 6.801 4.943
334 H SER 46 HN SER 46 -19.541 8.284 2.423
335 HA SER 46 HA SER 46 -21.613 9.367 4.126
336 HB2 SER 46 HB2 SER 46 -19.342 10.453 3.138
337 HB3 SER 46 HB1 SER 46 -20.501 11.033 1.943
338 HG SER 46 HG SER 46 -20.795 11.328 4.750
339 H VAL 47 HN VAL 47 -21.173 8.526 0.746
340 HA VAL 47 HA VAL 47 -23.477 9.772 -0.283
341 HB VAL 47 HB VAL 47 -22.236 7.224 -1.321
342 HG11 VAL 47 HG11 VAL 47 -22.998 8.625 -3.489
343 HG12 VAL 47 HG12 VAL 47 -24.220 9.155 -2.333
344 HG13 VAL 47 HG13 VAL 47 -24.022 7.437 -2.682
345 HG21 VAL 47 HG21 VAL 47 -21.180 9.944 -1.209
346 HG22 VAL 47 HG22 VAL 47 -21.210 9.267 -2.837
347 HG23 VAL 47 HG23 VAL 47 -20.358 8.420 -1.546
348 H LEU 48 HN LEU 48 -22.985 6.730 1.368
349 HA LEU 48 HA LEU 48 -25.822 6.058 0.982
350 HB2 LEU 48 HB2 LEU 48 -23.360 4.460 1.331
351 HB3 LEU 48 HB1 LEU 48 -24.787 3.850 2.148
352 HG LEU 48 HG LEU 48 -24.522 2.814 -0.042
353 HD11 LEU 48 HD11 LEU 48 -26.847 4.697 -0.247
354 HD12 LEU 48 HD12 LEU 48 -26.794 3.415 0.962
355 HD13 LEU 48 HD13 LEU 48 -26.738 3.011 -0.753
356 HD21 LEU 48 HD21 LEU 48 -23.462 4.188 -1.503
357 HD22 LEU 48 HD22 LEU 48 -24.262 5.637 -0.894
358 HD23 LEU 48 HD23 LEU 48 -25.122 4.544 -1.979
Start of MODEL 19
1 H1 SER 1 HT1 SER 1 1.638 -24.646 -4.595
2 H2 SER 1 HT2 SER 1 1.561 -25.214 -2.977
3 H3 SER 1 HT3 SER 1 2.830 -25.730 -4.011
4 HA SER 1 HA SER 1 3.795 -24.168 -2.673
5 HB2 SER 1 HB2 SER 1 3.740 -23.888 -5.340
6 HB3 SER 1 HB1 SER 1 3.023 -22.340 -4.895
7 HG SER 1 HG SER 1 5.026 -21.761 -4.627
8 H SER 2 HN SER 2 3.771 -21.593 -2.334
9 HA SER 2 HA SER 2 1.067 -20.828 -1.466
10 HB2 SER 2 HB2 SER 2 2.074 -21.477 0.566
11 HB3 SER 2 HB1 SER 2 3.626 -20.766 0.123
12 HG SER 2 HG SER 2 2.055 -19.616 1.650
13 H LEU 3 HN LEU 3 0.457 -18.890 -2.168
14 HA LEU 3 HA LEU 3 2.280 -17.253 -3.663
15 HB2 LEU 3 HB2 LEU 3 -0.347 -17.690 -3.889
16 HB3 LEU 3 HB1 LEU 3 -0.407 -16.240 -2.906
17 HG LEU 3 HG LEU 3 1.048 -16.428 -5.542
18 HD11 LEU 3 HD11 LEU 3 -1.002 -14.788 -6.047
19 HD12 LEU 3 HD12 LEU 3 -1.773 -15.858 -4.877
20 HD13 LEU 3 HD13 LEU 3 -1.062 -16.524 -6.347
21 HD21 LEU 3 HD21 LEU 3 2.029 -14.616 -4.608
22 HD22 LEU 3 HD22 LEU 3 0.699 -14.337 -3.484
23 HD23 LEU 3 HD23 LEU 3 0.555 -13.825 -5.165
24 H LEU 4 HN LEU 4 0.818 -17.165 -0.485
25 HA LEU 4 HA LEU 4 1.522 -14.463 0.097
26 HB2 LEU 4 HB2 LEU 4 0.406 -16.765 1.584
27 HB3 LEU 4 HB1 LEU 4 1.241 -15.558 2.542
28 HG LEU 4 HG LEU 4 -0.315 -13.896 1.195
29 HD11 LEU 4 HD11 LEU 4 -2.508 -14.853 0.767
30 HD12 LEU 4 HD12 LEU 4 -1.909 -16.454 1.198
31 HD13 LEU 4 HD13 LEU 4 -1.281 -15.634 -0.231
32 HD21 LEU 4 HD21 LEU 4 -0.214 -14.775 3.735
33 HD22 LEU 4 HD22 LEU 4 -1.818 -15.346 3.275
34 HD23 LEU 4 HD23 LEU 4 -1.421 -13.633 3.144
35 H GLU 5 HN GLU 5 3.205 -17.479 0.201
36 HA GLU 5 HA GLU 5 5.225 -16.635 2.056
37 HB2 GLU 5 HB2 GLU 5 4.402 -19.071 1.086
38 HB3 GLU 5 HB1 GLU 5 5.915 -18.825 0.226
39 HG2 GLU 5 HG2 GLU 5 7.130 -18.629 2.263
40 HG3 GLU 5 HG1 GLU 5 5.643 -18.591 3.210
41 H LYS 6 HN LYS 6 4.725 -16.545 -1.385
42 HA LYS 6 HA LYS 6 7.461 -15.626 -1.823
43 HB2 LYS 6 HB2 LYS 6 5.292 -16.329 -3.805
44 HB3 LYS 6 HB1 LYS 6 6.929 -15.844 -4.227
45 HG2 LYS 6 HG2 LYS 6 6.197 -18.294 -2.636
46 HG3 LYS 6 HG1 LYS 6 6.603 -18.270 -4.353
47 HD2 LYS 6 HD2 LYS 6 8.736 -18.539 -3.771
48 HD3 LYS 6 HD1 LYS 6 8.692 -16.913 -3.087
49 HE2 LYS 6 HE2 LYS 6 8.353 -17.689 -0.933
50 HE3 LYS 6 HE1 LYS 6 7.702 -19.233 -1.483
51 HZ1 LYS 6 HZ1 LYS 6 10.010 -19.267 -0.505
52 HZ2 LYS 6 HZ2 LYS 6 10.532 -18.470 -1.903
53 HZ3 LYS 6 HZ3 LYS 6 9.837 -20.008 -2.017
54 H GLY 7 HN GLY 7 4.161 -14.524 -1.805
55 HA2 GLY 7 HA2 GLY 7 4.674 -12.062 -3.191
56 HA3 GLY 7 HA1 GLY 7 3.213 -12.477 -2.307
57 H LEU 8 HN LEU 8 4.307 -12.971 0.219
58 HA LEU 8 HA LEU 8 4.611 -10.291 1.166
59 HB2 LEU 8 HB2 LEU 8 3.651 -12.590 2.257
60 HB3 LEU 8 HB1 LEU 8 5.234 -12.509 3.006
61 HG LEU 8 HG LEU 8 3.398 -10.137 3.070
62 HD11 LEU 8 HD11 LEU 8 3.155 -12.678 4.566
63 HD12 LEU 8 HD12 LEU 8 1.920 -11.506 4.106
64 HD13 LEU 8 HD13 LEU 8 2.972 -11.183 5.484
65 HD21 LEU 8 HD21 LEU 8 5.852 -11.056 4.476
66 HD22 LEU 8 HD22 LEU 8 4.699 -10.060 5.364
67 HD23 LEU 8 HD23 LEU 8 5.424 -9.454 3.875
68 H ASP 9 HN ASP 9 6.723 -12.982 0.509
69 HA ASP 9 HA ASP 9 8.976 -11.996 1.917
70 HB2 ASP 9 HB2 ASP 9 8.451 -14.167 -0.034
71 HB3 ASP 9 HB1 ASP 9 10.114 -13.599 0.081
72 H GLY 10 HN GLY 10 7.700 -11.500 -1.294
73 HA2 GLY 10 HA2 GLY 10 10.056 -10.270 -2.361
74 HA3 GLY 10 HA1 GLY 10 8.452 -10.257 -3.082
75 H ALA 11 HN ALA 11 7.188 -9.179 -0.697
76 HA ALA 11 HA ALA 11 7.555 -6.428 -1.289
77 HB1 ALA 11 HB1 ALA 11 5.468 -7.847 -0.372
78 HB2 ALA 11 HB2 ALA 11 5.597 -6.094 -0.226
79 HB3 ALA 11 HB3 ALA 11 6.041 -7.127 1.133
80 H LYS 12 HN LYS 12 7.931 -8.234 1.739
81 HA LYS 12 HA LYS 12 9.013 -6.233 3.294
82 HB2 LYS 12 HB2 LYS 12 9.499 -9.207 3.366
83 HB3 LYS 12 HB1 LYS 12 10.070 -8.105 4.611
84 HG2 LYS 12 HG2 LYS 12 7.442 -7.429 4.465
85 HG3 LYS 12 HG1 LYS 12 7.385 -9.157 4.108
86 HD2 LYS 12 HD2 LYS 12 8.825 -9.499 6.157
87 HD3 LYS 12 HD1 LYS 12 8.522 -7.805 6.547
88 HE2 LYS 12 HE2 LYS 12 6.005 -8.601 6.136
89 HE3 LYS 12 HE1 LYS 12 6.701 -10.139 6.645
90 HZ1 LYS 12 HZ1 LYS 12 7.166 -9.345 8.728
91 HZ2 LYS 12 HZ2 LYS 12 5.740 -8.500 8.393
92 HZ3 LYS 12 HZ3 LYS 12 7.236 -7.728 8.235
93 H LYS 13 HN LYS 13 10.553 -7.896 0.685
94 HA LYS 13 HA LYS 13 13.201 -7.074 1.613
95 HB2 LYS 13 HB2 LYS 13 14.063 -8.464 -0.211
96 HB3 LYS 13 HB1 LYS 13 12.967 -9.372 0.823
97 HG2 LYS 13 HG2 LYS 13 12.010 -10.009 -1.093
98 HG3 LYS 13 HG1 LYS 13 11.262 -8.407 -1.060
99 HD2 LYS 13 HD2 LYS 13 12.308 -7.853 -2.935
100 HD3 LYS 13 HD1 LYS 13 13.872 -8.168 -2.181
101 HE2 LYS 13 HE2 LYS 13 12.381 -10.564 -3.007
102 HE3 LYS 13 HE1 LYS 13 12.895 -9.515 -4.327
103 HZ1 LYS 13 HZ1 LYS 13 14.678 -10.620 -2.224
104 HZ2 LYS 13 HZ2 LYS 13 15.160 -9.653 -3.526
105 HZ3 LYS 13 HZ3 LYS 13 14.552 -11.206 -3.806
106 H ALA 14 HN ALA 14 11.369 -6.935 -1.459
107 HA ALA 14 HA ALA 14 13.064 -4.917 -2.541
108 HB1 ALA 14 HB1 ALA 14 12.195 -5.847 -4.373
109 HB2 ALA 14 HB2 ALA 14 10.736 -4.911 -4.047
110 HB3 ALA 14 HB3 ALA 14 10.869 -6.571 -3.465
111 H VAL 15 HN VAL 15 9.869 -5.043 -1.087
112 HA VAL 15 HA VAL 15 9.517 -2.229 -1.421
113 HB VAL 15 HB VAL 15 7.759 -4.035 0.211
114 HG11 VAL 15 HG11 VAL 15 6.678 -1.746 -1.297
115 HG12 VAL 15 HG12 VAL 15 7.716 -1.351 0.073
116 HG13 VAL 15 HG13 VAL 15 6.276 -2.339 0.314
117 HG21 VAL 15 HG21 VAL 15 6.504 -4.590 -1.685
118 HG22 VAL 15 HG22 VAL 15 8.177 -4.771 -2.213
119 HG23 VAL 15 HG23 VAL 15 7.261 -3.333 -2.664
120 H GLY 16 HN GLY 16 10.067 -4.451 1.259
121 HA2 GLY 16 HA2 GLY 16 9.913 -2.605 3.357
122 HA3 GLY 16 HA1 GLY 16 10.845 -4.095 3.391
123 H GLY 17 HN GLY 17 12.628 -3.489 1.277
124 HA2 GLY 17 HA2 GLY 17 14.487 -1.827 2.728
125 HA3 GLY 17 HA1 GLY 17 14.801 -2.681 1.225
126 H LEU 18 HN LEU 18 12.901 -1.650 -0.450
127 HA LEU 18 HA LEU 18 14.044 0.863 -1.123
128 HB2 LEU 18 HB2 LEU 18 12.967 -0.976 -2.629
129 HB3 LEU 18 HB1 LEU 18 11.474 -0.121 -2.294
130 HG LEU 18 HG LEU 18 12.917 1.966 -3.092
131 HD11 LEU 18 HD11 LEU 18 14.623 1.537 -4.554
132 HD12 LEU 18 HD12 LEU 18 14.036 -0.080 -4.940
133 HD13 LEU 18 HD13 LEU 18 14.853 0.218 -3.406
134 HD21 LEU 18 HD21 LEU 18 11.487 -0.071 -4.778
135 HD22 LEU 18 HD22 LEU 18 12.067 1.464 -5.426
136 HD23 LEU 18 HD23 LEU 18 10.867 1.449 -4.134
137 H GLY 19 HN GLY 19 10.868 -0.099 0.102
138 HA2 GLY 19 HA2 GLY 19 9.742 2.492 0.147
139 HA3 GLY 19 HA1 GLY 19 9.170 1.109 1.064
140 H LYS 20 HN LYS 20 12.103 1.112 2.158
141 HA LYS 20 HA LYS 20 11.450 2.694 4.489
142 HB2 LYS 20 HB2 LYS 20 13.432 0.577 3.855
143 HB3 LYS 20 HB1 LYS 20 13.833 1.705 5.144
144 HG2 LYS 20 HG2 LYS 20 11.197 0.290 5.111
145 HG3 LYS 20 HG1 LYS 20 12.646 -0.494 5.745
146 HD2 LYS 20 HD2 LYS 20 11.808 2.235 6.673
147 HD3 LYS 20 HD1 LYS 20 11.132 0.772 7.392
148 HE2 LYS 20 HE2 LYS 20 14.094 1.080 7.137
149 HE3 LYS 20 HE1 LYS 20 13.236 1.891 8.447
150 HZ1 LYS 20 HZ1 LYS 20 13.218 -1.027 7.893
151 HZ2 LYS 20 HZ2 LYS 20 12.345 -0.265 9.125
152 HZ3 LYS 20 HZ3 LYS 20 14.036 -0.257 9.159
153 H LEU 21 HN LEU 21 14.278 2.387 2.405
154 HA LEU 21 HA LEU 21 15.276 4.968 3.226
155 HB2 LEU 21 HB2 LEU 21 16.245 3.185 0.987
156 HB3 LEU 21 HB1 LEU 21 17.104 4.555 1.663
157 HG LEU 21 HG LEU 21 16.537 2.768 3.800
158 HD11 LEU 21 HD11 LEU 21 17.067 0.689 3.127
159 HD12 LEU 21 HD12 LEU 21 18.230 1.257 1.930
160 HD13 LEU 21 HD13 LEU 21 16.506 1.266 1.558
161 HD21 LEU 21 HD21 LEU 21 18.396 4.167 3.966
162 HD22 LEU 21 HD22 LEU 21 18.996 3.716 2.371
163 HD23 LEU 21 HD23 LEU 21 19.093 2.568 3.706
164 H GLY 22 HN GLY 22 13.091 3.742 1.092
165 HA2 GLY 22 HA2 GLY 22 13.141 6.126 -0.628
166 HA3 GLY 22 HA1 GLY 22 12.465 4.563 -1.085
167 H LYS 23 HN LYS 23 11.845 5.237 2.129
168 HA LYS 23 HA LYS 23 9.098 5.233 1.899
169 HB2 LYS 23 HB2 LYS 23 10.604 4.898 3.974
170 HB3 LYS 23 HB1 LYS 23 10.512 6.644 4.148
171 HG2 LYS 23 HG2 LYS 23 7.896 5.466 3.765
172 HG3 LYS 23 HG1 LYS 23 8.735 4.781 5.158
173 HD2 LYS 23 HD2 LYS 23 8.920 7.704 4.915
174 HD3 LYS 23 HD1 LYS 23 7.293 7.084 5.203
175 HE2 LYS 23 HE2 LYS 23 7.761 6.588 7.328
176 HE3 LYS 23 HE1 LYS 23 9.268 5.789 6.887
177 HZ1 LYS 23 HZ1 LYS 23 8.828 8.667 7.429
178 HZ2 LYS 23 HZ2 LYS 23 10.227 8.091 6.671
179 HZ3 LYS 23 HZ3 LYS 23 9.854 7.596 8.245
180 H ASP 24 HN ASP 24 11.395 7.853 1.759
181 HA ASP 24 HA ASP 24 9.789 10.054 2.209
182 HB2 ASP 24 HB2 ASP 24 12.266 9.562 0.647
183 HB3 ASP 24 HB1 ASP 24 11.405 11.065 0.327
184 H ALA 25 HN ALA 25 10.214 8.199 -0.757
185 HA ALA 25 HA ALA 25 8.474 9.899 -2.303
186 HB1 ALA 25 HB1 ALA 25 9.218 7.118 -3.120
187 HB2 ALA 25 HB2 ALA 25 10.430 8.399 -3.135
188 HB3 ALA 25 HB3 ALA 25 8.975 8.550 -4.119
189 H VAL 26 HN VAL 26 8.323 6.839 -0.641
190 HA VAL 26 HA VAL 26 5.877 5.836 -1.423
191 HB VAL 26 HB VAL 26 7.291 5.755 1.221
192 HG11 VAL 26 HG11 VAL 26 5.007 5.304 1.748
193 HG12 VAL 26 HG12 VAL 26 5.846 3.753 1.709
194 HG13 VAL 26 HG13 VAL 26 4.833 4.242 0.351
195 HG21 VAL 26 HG21 VAL 26 8.115 4.676 -1.052
196 HG22 VAL 26 HG22 VAL 26 7.006 3.397 -0.557
197 HG23 VAL 26 HG23 VAL 26 8.339 3.866 0.499
198 H GLU 27 HN GLU 27 6.597 8.509 0.698
199 HA GLU 27 HA GLU 27 4.054 8.693 1.956
200 HB2 GLU 27 HB2 GLU 27 6.375 10.556 1.582
201 HB3 GLU 27 HB1 GLU 27 4.875 11.127 2.297
202 HG2 GLU 27 HG2 GLU 27 5.418 8.828 3.715
203 HG3 GLU 27 HG1 GLU 27 7.010 9.540 3.459
204 H ASP 28 HN ASP 28 5.661 10.412 -0.662
205 HA ASP 28 HA ASP 28 3.307 11.811 -1.434
206 HB2 ASP 28 HB2 ASP 28 5.885 12.344 -1.859
207 HB3 ASP 28 HB1 ASP 28 5.567 11.455 -3.346
208 H LEU 29 HN LEU 29 4.309 8.647 -1.748
209 HA LEU 29 HA LEU 29 2.811 8.259 -4.244
210 HB2 LEU 29 HB2 LEU 29 4.699 6.431 -2.767
211 HB3 LEU 29 HB1 LEU 29 3.789 5.961 -4.189
212 HG LEU 29 HG LEU 29 5.630 8.324 -4.294
213 HD11 LEU 29 HD11 LEU 29 6.530 5.542 -4.963
214 HD12 LEU 29 HD12 LEU 29 6.785 6.242 -3.364
215 HD13 LEU 29 HD13 LEU 29 7.496 7.006 -4.786
216 HD21 LEU 29 HD21 LEU 29 4.185 6.575 -6.190
217 HD22 LEU 29 HD22 LEU 29 5.794 7.113 -6.673
218 HD23 LEU 29 HD23 LEU 29 4.548 8.298 -6.282
219 H GLU 30 HN GLU 30 2.439 8.204 -0.947
220 HA GLU 30 HA GLU 30 0.711 5.924 -0.784
221 HB2 GLU 30 HB2 GLU 30 2.156 7.465 1.054
222 HB3 GLU 30 HB1 GLU 30 0.466 7.748 1.445
223 HG2 GLU 30 HG2 GLU 30 0.625 5.009 1.065
224 HG3 GLU 30 HG1 GLU 30 2.114 5.420 1.914
225 H SER 31 HN SER 31 0.385 9.431 -0.923
226 HA SER 31 HA SER 31 -2.472 9.307 -0.640
227 HB2 SER 31 HB2 SER 31 -0.473 11.355 -0.481
228 HB3 SER 31 HB1 SER 31 -1.727 11.859 -1.614
229 HG SER 31 HG SER 31 -3.237 11.214 0.115
230 H VAL 32 HN VAL 32 -0.375 8.813 -3.174
231 HA VAL 32 HA VAL 32 -1.867 9.937 -5.286
232 HB VAL 32 HB VAL 32 -0.068 7.519 -5.492
233 HG11 VAL 32 HG11 VAL 32 -0.151 9.612 -7.573
234 HG12 VAL 32 HG12 VAL 32 -1.611 8.638 -7.397
235 HG13 VAL 32 HG13 VAL 32 -0.065 7.857 -7.730
236 HG21 VAL 32 HG21 VAL 32 1.117 9.254 -4.271
237 HG22 VAL 32 HG22 VAL 32 0.713 10.431 -5.520
238 HG23 VAL 32 HG23 VAL 32 1.778 9.076 -5.895
239 H GLY 33 HN GLY 33 -1.569 6.848 -6.228
240 HA2 GLY 33 HA2 GLY 33 -4.392 6.396 -6.245
241 HA3 GLY 33 HA1 GLY 33 -3.164 5.310 -6.878
242 H LYS 34 HN LYS 34 -1.914 5.663 -4.019
243 HA LYS 34 HA LYS 34 -3.011 3.234 -2.992
244 HB2 LYS 34 HB2 LYS 34 -0.977 5.197 -1.956
245 HB3 LYS 34 HB1 LYS 34 -1.501 3.818 -0.999
246 HG2 LYS 34 HG2 LYS 34 -0.875 2.693 -3.434
247 HG3 LYS 34 HG1 LYS 34 0.351 3.946 -3.233
248 HD2 LYS 34 HD2 LYS 34 1.217 2.977 -1.322
249 HD3 LYS 34 HD1 LYS 34 -0.280 2.119 -0.955
250 HE2 LYS 34 HE2 LYS 34 1.587 1.486 -3.238
251 HE3 LYS 34 HE1 LYS 34 1.502 0.603 -1.714
252 HZ1 LYS 34 HZ1 LYS 34 -0.917 0.228 -2.289
253 HZ2 LYS 34 HZ2 LYS 34 0.215 -0.614 -3.222
254 HZ3 LYS 34 HZ3 LYS 34 -0.540 0.764 -3.850
255 H GLY 35 HN GLY 35 -3.483 6.635 -2.358
256 HA2 GLY 35 HA2 GLY 35 -5.241 5.977 -0.089
257 HA3 GLY 35 HA1 GLY 35 -4.549 7.559 -0.410
258 H ALA 36 HN ALA 36 -5.389 6.773 -3.373
259 HA ALA 36 HA ALA 36 -7.784 8.327 -3.334
260 HB1 ALA 36 HB1 ALA 36 -7.508 8.512 -5.568
261 HB2 ALA 36 HB2 ALA 36 -7.126 6.803 -5.772
262 HB3 ALA 36 HB3 ALA 36 -5.888 7.921 -5.199
263 H VAL 37 HN VAL 37 -7.021 4.949 -3.318
264 HA VAL 37 HA VAL 37 -9.518 3.988 -4.247
265 HB VAL 37 HB VAL 37 -7.600 2.524 -2.439
266 HG11 VAL 37 HG11 VAL 37 -9.972 1.779 -4.032
267 HG12 VAL 37 HG12 VAL 37 -9.346 1.090 -2.535
268 HG13 VAL 37 HG13 VAL 37 -8.611 0.659 -4.079
269 HG21 VAL 37 HG21 VAL 37 -6.095 2.733 -4.075
270 HG22 VAL 37 HG22 VAL 37 -7.283 3.399 -5.195
271 HG23 VAL 37 HG23 VAL 37 -7.124 1.652 -5.014
272 H HIS 38 HN HIS 38 -8.101 4.127 -1.005
273 HA HIS 38 HA HIS 38 -10.487 3.414 0.344
274 HB2 HIS 38 HB2 HIS 38 -7.901 4.678 1.229
275 HB3 HIS 38 HB1 HIS 38 -9.235 4.437 2.352
276 HD1 HIS 38 HD1 HIS 38 -7.972 2.703 3.754
277 HD2 HIS 38 HD2 HIS 38 -8.354 1.654 -0.249
278 HE1 HIS 38 HE1 HIS 38 -7.285 0.288 3.623
279 HE2 HIS 38 HE2 HIS 38 -7.603 -0.348 1.206
280 H ASP 39 HN ASP 39 -9.316 6.364 -0.996
281 HA ASP 39 HA ASP 39 -10.745 8.185 0.642
282 HB2 ASP 39 HB2 ASP 39 -8.878 8.904 -0.772
283 HB3 ASP 39 HB1 ASP 39 -9.797 8.490 -2.216
284 H VAL 40 HN VAL 40 -11.560 6.415 -2.283
285 HA VAL 40 HA VAL 40 -13.952 7.749 -2.905
286 HB VAL 40 HB VAL 40 -13.348 4.839 -3.425
287 HG11 VAL 40 HG11 VAL 40 -15.681 5.536 -3.804
288 HG12 VAL 40 HG12 VAL 40 -14.865 5.071 -5.297
289 HG13 VAL 40 HG13 VAL 40 -15.110 6.776 -4.920
290 HG21 VAL 40 HG21 VAL 40 -11.793 6.953 -4.228
291 HG22 VAL 40 HG22 VAL 40 -12.875 6.724 -5.602
292 HG23 VAL 40 HG23 VAL 40 -11.884 5.384 -5.027
293 H LYS 41 HN LYS 41 -13.394 4.767 -1.072
294 HA LYS 41 HA LYS 41 -16.076 4.283 -0.400
295 HB2 LYS 41 HB2 LYS 41 -14.129 2.678 -0.195
296 HB3 LYS 41 HB1 LYS 41 -13.686 3.526 1.280
297 HG2 LYS 41 HG2 LYS 41 -16.438 2.861 1.448
298 HG3 LYS 41 HG1 LYS 41 -15.554 1.423 0.933
299 HD2 LYS 41 HD2 LYS 41 -14.395 3.016 3.151
300 HD3 LYS 41 HD1 LYS 41 -15.851 2.082 3.499
301 HE2 LYS 41 HE2 LYS 41 -14.762 0.056 2.712
302 HE3 LYS 41 HE1 LYS 41 -13.320 0.977 2.285
303 HZ1 LYS 41 HZ1 LYS 41 -12.759 1.283 4.484
304 HZ2 LYS 41 HZ2 LYS 41 -13.402 -0.281 4.519
305 HZ3 LYS 41 HZ3 LYS 41 -14.333 1.027 5.050
306 H ASP 42 HN ASP 42 -13.658 6.369 1.009
307 HA ASP 42 HA ASP 42 -14.954 6.815 3.489
308 HB2 ASP 42 HB2 ASP 42 -12.517 7.341 2.807
309 HB3 ASP 42 HB1 ASP 42 -13.176 8.835 2.147
310 H VAL 43 HN VAL 43 -15.036 8.489 0.384
311 HA VAL 43 HA VAL 43 -16.835 10.528 1.328
312 HB VAL 43 HB VAL 43 -16.168 9.848 -1.537
313 HG11 VAL 43 HG11 VAL 43 -16.809 12.127 -2.007
314 HG12 VAL 43 HG12 VAL 43 -17.086 12.437 -0.293
315 HG13 VAL 43 HG13 VAL 43 -18.126 11.311 -1.165
316 HG21 VAL 43 HG21 VAL 43 -14.554 11.103 0.562
317 HG22 VAL 43 HG22 VAL 43 -14.665 12.041 -0.928
318 HG23 VAL 43 HG23 VAL 43 -14.063 10.384 -0.972
319 H LEU 44 HN LEU 44 -17.074 7.462 -0.330
320 HA LEU 44 HA LEU 44 -19.698 7.708 -1.303
321 HB2 LEU 44 HB2 LEU 44 -17.709 5.782 -1.371
322 HB3 LEU 44 HB1 LEU 44 -18.990 5.011 -0.456
323 HG LEU 44 HG LEU 44 -19.692 6.343 -3.031
324 HD11 LEU 44 HD11 LEU 44 -18.021 5.150 -4.005
325 HD12 LEU 44 HD12 LEU 44 -19.254 3.891 -3.943
326 HD13 LEU 44 HD13 LEU 44 -17.982 3.941 -2.722
327 HD21 LEU 44 HD21 LEU 44 -21.257 4.395 -3.107
328 HD22 LEU 44 HD22 LEU 44 -21.499 5.477 -1.736
329 HD23 LEU 44 HD23 LEU 44 -20.671 3.936 -1.508
330 H ASP 45 HN ASP 45 -18.431 6.942 1.850
331 HA ASP 45 HA ASP 45 -20.786 5.815 2.948
332 HB2 ASP 45 HB2 ASP 45 -18.159 6.320 3.822
333 HB3 ASP 45 HB1 ASP 45 -19.207 7.196 4.934
334 H SER 46 HN SER 46 -19.736 9.080 2.396
335 HA SER 46 HA SER 46 -21.713 10.241 4.157
336 HB2 SER 46 HB2 SER 46 -19.321 11.150 3.262
337 HB3 SER 46 HB1 SER 46 -20.407 11.953 2.128
338 HG SER 46 HG SER 46 -19.875 12.634 4.623
339 H VAL 47 HN VAL 47 -21.367 9.479 0.770
340 HA VAL 47 HA VAL 47 -23.623 11.042 -0.077
341 HB VAL 47 HB VAL 47 -22.301 8.777 -1.571
342 HG11 VAL 47 HG11 VAL 47 -24.591 9.914 -2.227
343 HG12 VAL 47 HG12 VAL 47 -23.390 9.495 -3.448
344 HG13 VAL 47 HG13 VAL 47 -23.519 11.157 -2.873
345 HG21 VAL 47 HG21 VAL 47 -21.253 10.986 -2.690
346 HG22 VAL 47 HG22 VAL 47 -20.465 10.083 -1.396
347 HG23 VAL 47 HG23 VAL 47 -21.397 11.532 -1.020
348 H LEU 48 HN LEU 48 -23.049 7.727 0.901
349 HA LEU 48 HA LEU 48 -24.442 5.984 1.337
350 HB2 LEU 48 HB2 LEU 48 -25.824 8.359 2.130
351 HB3 LEU 48 HB1 LEU 48 -26.990 7.228 1.469
352 HG LEU 48 HG LEU 48 -25.062 6.631 3.715
353 HD11 LEU 48 HD11 LEU 48 -27.165 8.220 3.979
354 HD12 LEU 48 HD12 LEU 48 -26.718 7.047 5.217
355 HD13 LEU 48 HD13 LEU 48 -28.006 6.673 4.071
356 HD21 LEU 48 HD21 LEU 48 -25.410 4.543 2.893
357 HD22 LEU 48 HD22 LEU 48 -26.939 4.976 2.129
358 HD23 LEU 48 HD23 LEU 48 -26.873 4.688 3.867
Start of MODEL 20
1 H1 SER 1 HT1 SER 1 12.429 -23.570 1.580
2 H2 SER 1 HT2 SER 1 12.718 -23.674 -0.108
3 H3 SER 1 HT3 SER 1 13.142 -24.982 0.919
4 HA SER 1 HA SER 1 11.105 -25.297 -0.394
5 HB2 SER 1 HB2 SER 1 11.450 -25.537 2.546
6 HB3 SER 1 HB1 SER 1 9.822 -25.812 1.925
7 HG SER 1 HG SER 1 10.802 -27.336 0.449
8 H SER 2 HN SER 2 8.705 -25.006 -0.156
9 HA SER 2 HA SER 2 6.852 -23.692 -0.231
10 HB2 SER 2 HB2 SER 2 8.006 -23.165 2.236
11 HB3 SER 2 HB1 SER 2 7.745 -21.561 1.553
12 HG SER 2 HG SER 2 5.717 -21.806 1.988
13 H LEU 3 HN LEU 3 6.235 -22.305 -1.759
14 HA LEU 3 HA LEU 3 8.205 -20.703 -3.103
15 HB2 LEU 3 HB2 LEU 3 5.713 -21.859 -3.749
16 HB3 LEU 3 HB1 LEU 3 5.521 -20.129 -3.955
17 HG LEU 3 HG LEU 3 7.468 -20.104 -5.472
18 HD11 LEU 3 HD11 LEU 3 8.281 -22.300 -6.331
19 HD12 LEU 3 HD12 LEU 3 7.416 -23.079 -5.006
20 HD13 LEU 3 HD13 LEU 3 8.735 -21.959 -4.661
21 HD21 LEU 3 HD21 LEU 3 6.380 -21.339 -7.336
22 HD22 LEU 3 HD22 LEU 3 5.286 -20.273 -6.453
23 HD23 LEU 3 HD23 LEU 3 5.242 -22.013 -6.169
24 H LEU 4 HN LEU 4 5.568 -20.144 -0.873
25 HA LEU 4 HA LEU 4 5.469 -17.316 -1.212
26 HB2 LEU 4 HB2 LEU 4 4.130 -17.336 0.852
27 HB3 LEU 4 HB1 LEU 4 3.555 -18.491 -0.335
28 HG LEU 4 HG LEU 4 5.110 -20.137 1.072
29 HD11 LEU 4 HD11 LEU 4 4.482 -19.400 3.538
30 HD12 LEU 4 HD12 LEU 4 4.625 -17.794 2.823
31 HD13 LEU 4 HD13 LEU 4 5.991 -18.908 2.770
32 HD21 LEU 4 HD21 LEU 4 2.865 -20.694 0.740
33 HD22 LEU 4 HD22 LEU 4 2.288 -19.257 1.585
34 HD23 LEU 4 HD23 LEU 4 3.024 -20.578 2.493
35 H GLU 5 HN GLU 5 7.411 -19.480 0.687
36 HA GLU 5 HA GLU 5 8.353 -17.482 2.518
37 HB2 GLU 5 HB2 GLU 5 9.246 -20.294 1.890
38 HB3 GLU 5 HB1 GLU 5 10.074 -19.277 3.062
39 HG2 GLU 5 HG2 GLU 5 7.718 -19.028 4.120
40 HG3 GLU 5 HG1 GLU 5 7.349 -20.483 3.194
41 H LYS 6 HN LYS 6 9.299 -18.750 -0.580
42 HA LYS 6 HA LYS 6 11.845 -17.341 -0.484
43 HB2 LYS 6 HB2 LYS 6 10.643 -19.304 -2.421
44 HB3 LYS 6 HB1 LYS 6 12.099 -18.398 -2.808
45 HG2 LYS 6 HG2 LYS 6 11.802 -20.178 -0.399
46 HG3 LYS 6 HG1 LYS 6 12.526 -20.676 -1.930
47 HD2 LYS 6 HD2 LYS 6 13.496 -18.423 -0.172
48 HD3 LYS 6 HD1 LYS 6 14.229 -20.023 -0.292
49 HE2 LYS 6 HE2 LYS 6 14.103 -19.230 -2.912
50 HE3 LYS 6 HE1 LYS 6 14.442 -17.716 -2.074
51 HZ1 LYS 6 HZ1 LYS 6 16.113 -20.068 -2.403
52 HZ2 LYS 6 HZ2 LYS 6 16.176 -19.336 -0.880
53 HZ3 LYS 6 HZ3 LYS 6 16.549 -18.438 -2.264
54 H GLY 7 HN GLY 7 8.699 -17.170 -1.983
55 HA2 GLY 7 HA2 GLY 7 9.443 -15.183 -3.923
56 HA3 GLY 7 HA1 GLY 7 7.810 -15.696 -3.529
57 H LEU 8 HN LEU 8 7.841 -15.134 -0.766
58 HA LEU 8 HA LEU 8 7.319 -12.324 -0.844
59 HB2 LEU 8 HB2 LEU 8 6.226 -14.267 0.575
60 HB3 LEU 8 HB1 LEU 8 7.483 -13.840 1.721
61 HG LEU 8 HG LEU 8 5.380 -12.712 2.243
62 HD11 LEU 8 HD11 LEU 8 7.835 -11.619 2.287
63 HD12 LEU 8 HD12 LEU 8 6.392 -10.805 2.891
64 HD13 LEU 8 HD13 LEU 8 6.995 -10.446 1.273
65 HD21 LEU 8 HD21 LEU 8 4.254 -11.288 0.797
66 HD22 LEU 8 HD22 LEU 8 4.739 -12.617 -0.256
67 HD23 LEU 8 HD23 LEU 8 5.647 -11.105 -0.269
68 H ASP 9 HN ASP 9 9.909 -14.367 0.282
69 HA ASP 9 HA ASP 9 11.222 -12.566 1.964
70 HB2 ASP 9 HB2 ASP 9 11.786 -15.121 0.748
71 HB3 ASP 9 HB1 ASP 9 13.217 -14.097 0.704
72 H GLY 10 HN GLY 10 11.148 -12.834 -1.514
73 HA2 GLY 10 HA2 GLY 10 13.413 -11.146 -1.991
74 HA3 GLY 10 HA1 GLY 10 12.218 -11.653 -3.178
75 H ALA 11 HN ALA 11 9.974 -10.683 -1.611
76 HA ALA 11 HA ALA 11 9.944 -8.021 -2.597
77 HB1 ALA 11 HB1 ALA 11 8.018 -9.841 -2.144
78 HB2 ALA 11 HB2 ALA 11 7.710 -8.114 -2.331
79 HB3 ALA 11 HB3 ALA 11 7.828 -8.819 -0.719
80 H LYS 12 HN LYS 12 9.552 -9.311 0.681
81 HA LYS 12 HA LYS 12 9.576 -6.900 2.048
82 HB2 LYS 12 HB2 LYS 12 9.844 -9.720 2.714
83 HB3 LYS 12 HB1 LYS 12 10.755 -8.687 3.807
84 HG2 LYS 12 HG2 LYS 12 7.837 -8.332 3.159
85 HG3 LYS 12 HG1 LYS 12 8.460 -9.172 4.581
86 HD2 LYS 12 HD2 LYS 12 9.173 -6.323 3.922
87 HD3 LYS 12 HD1 LYS 12 7.782 -6.756 4.919
88 HE2 LYS 12 HE2 LYS 12 10.273 -8.066 5.719
89 HE3 LYS 12 HE1 LYS 12 10.320 -6.307 5.841
90 HZ1 LYS 12 HZ1 LYS 12 8.683 -8.231 7.316
91 HZ2 LYS 12 HZ2 LYS 12 8.003 -6.719 6.981
92 HZ3 LYS 12 HZ3 LYS 12 9.445 -6.820 7.858
93 H LYS 13 HN LYS 13 12.239 -8.478 0.532
94 HA LYS 13 HA LYS 13 14.170 -7.028 2.177
95 HB2 LYS 13 HB2 LYS 13 15.871 -8.350 1.030
96 HB3 LYS 13 HB1 LYS 13 14.618 -9.391 1.696
97 HG2 LYS 13 HG2 LYS 13 14.641 -10.335 -0.334
98 HG3 LYS 13 HG1 LYS 13 13.650 -8.945 -0.791
99 HD2 LYS 13 HD2 LYS 13 15.211 -8.295 -2.228
100 HD3 LYS 13 HD1 LYS 13 16.377 -8.157 -0.911
101 HE2 LYS 13 HE2 LYS 13 15.787 -10.849 -2.053
102 HE3 LYS 13 HE1 LYS 13 16.829 -9.747 -2.952
103 HZ1 LYS 13 HZ1 LYS 13 18.033 -11.270 -1.437
104 HZ2 LYS 13 HZ2 LYS 13 17.284 -10.516 -0.122
105 HZ3 LYS 13 HZ3 LYS 13 18.328 -9.635 -1.119
106 H ALA 14 HN ALA 14 13.606 -7.519 -1.322
107 HA ALA 14 HA ALA 14 15.207 -5.274 -2.042
108 HB1 ALA 14 HB1 ALA 14 15.232 -6.734 -3.782
109 HB2 ALA 14 HB2 ALA 14 13.850 -5.766 -4.293
110 HB3 ALA 14 HB3 ALA 14 13.592 -7.304 -3.470
111 H VAL 15 HN VAL 15 11.775 -5.988 -1.809
112 HA VAL 15 HA VAL 15 11.087 -3.332 -2.610
113 HB VAL 15 HB VAL 15 9.127 -5.289 -1.472
114 HG11 VAL 15 HG11 VAL 15 8.740 -3.241 -3.637
115 HG12 VAL 15 HG12 VAL 15 8.523 -2.880 -1.924
116 HG13 VAL 15 HG13 VAL 15 7.508 -4.092 -2.705
117 HG21 VAL 15 HG21 VAL 15 10.587 -6.293 -3.319
118 HG22 VAL 15 HG22 VAL 15 9.799 -5.142 -4.397
119 HG23 VAL 15 HG23 VAL 15 8.840 -6.354 -3.547
120 H GLY 16 HN GLY 16 10.833 -5.264 0.335
121 HA2 GLY 16 HA2 GLY 16 9.583 -3.454 2.004
122 HA3 GLY 16 HA1 GLY 16 10.763 -4.637 2.546
123 H GLY 17 HN GLY 17 12.977 -3.556 1.055
124 HA2 GLY 17 HA2 GLY 17 13.820 -1.573 2.933
125 HA3 GLY 17 HA1 GLY 17 14.731 -2.141 1.541
126 H LEU 18 HN LEU 18 12.642 -1.489 -0.373
127 HA LEU 18 HA LEU 18 13.267 1.324 -0.668
128 HB2 LEU 18 HB2 LEU 18 12.805 -0.819 -2.424
129 HB3 LEU 18 HB1 LEU 18 11.475 0.294 -2.681
130 HG LEU 18 HG LEU 18 13.395 2.085 -2.825
131 HD11 LEU 18 HD11 LEU 18 15.444 1.221 -3.769
132 HD12 LEU 18 HD12 LEU 18 14.840 -0.431 -3.641
133 HD13 LEU 18 HD13 LEU 18 15.170 0.503 -2.181
134 HD21 LEU 18 HD21 LEU 18 13.355 0.384 -5.235
135 HD22 LEU 18 HD22 LEU 18 13.002 2.102 -5.048
136 HD23 LEU 18 HD23 LEU 18 11.784 0.900 -4.619
137 H GLY 19 HN GLY 19 10.497 -0.694 0.043
138 HA2 GLY 19 HA2 GLY 19 8.594 1.462 -0.224
139 HA3 GLY 19 HA1 GLY 19 8.262 -0.157 0.367
140 H LYS 20 HN LYS 20 10.705 0.435 2.223
141 HA LYS 20 HA LYS 20 9.082 1.381 4.423
142 HB2 LYS 20 HB2 LYS 20 11.717 0.020 4.170
143 HB3 LYS 20 HB1 LYS 20 11.397 0.945 5.631
144 HG2 LYS 20 HG2 LYS 20 9.429 -1.087 4.669
145 HG3 LYS 20 HG1 LYS 20 10.856 -1.578 5.585
146 HD2 LYS 20 HD2 LYS 20 9.935 0.488 7.095
147 HD3 LYS 20 HD1 LYS 20 8.427 -0.181 6.469
148 HE2 LYS 20 HE2 LYS 20 10.579 -1.719 7.920
149 HE3 LYS 20 HE1 LYS 20 9.042 -1.195 8.609
150 HZ1 LYS 20 HZ1 LYS 20 8.193 -2.533 6.477
151 HZ2 LYS 20 HZ2 LYS 20 8.416 -3.251 7.992
152 HZ3 LYS 20 HZ3 LYS 20 9.611 -3.398 6.804
153 H LEU 21 HN LEU 21 12.281 2.162 3.166
154 HA LEU 21 HA LEU 21 12.255 4.745 4.451
155 HB2 LEU 21 HB2 LEU 21 14.447 5.075 3.480
156 HB3 LEU 21 HB1 LEU 21 14.366 3.475 4.193
157 HG LEU 21 HG LEU 21 13.685 2.848 1.673
158 HD11 LEU 21 HD11 LEU 21 15.018 5.482 1.550
159 HD12 LEU 21 HD12 LEU 21 13.868 4.735 0.441
160 HD13 LEU 21 HD13 LEU 21 15.567 4.260 0.403
161 HD21 LEU 21 HD21 LEU 21 15.960 2.116 1.362
162 HD22 LEU 21 HD22 LEU 21 15.501 1.885 3.049
163 HD23 LEU 21 HD23 LEU 21 16.529 3.244 2.593
164 H GLY 22 HN GLY 22 11.137 3.347 1.675
165 HA2 GLY 22 HA2 GLY 22 10.886 5.917 0.273
166 HA3 GLY 22 HA1 GLY 22 10.820 4.334 -0.496
167 H LYS 23 HN LYS 23 9.283 4.295 2.476
168 HA LYS 23 HA LYS 23 6.790 3.624 1.514
169 HB2 LYS 23 HB2 LYS 23 7.701 3.309 3.866
170 HB3 LYS 23 HB1 LYS 23 7.268 4.985 4.166
171 HG2 LYS 23 HG2 LYS 23 5.281 4.241 4.804
172 HG3 LYS 23 HG1 LYS 23 4.962 3.888 3.105
173 HD2 LYS 23 HD2 LYS 23 6.436 1.712 3.921
174 HD3 LYS 23 HD1 LYS 23 5.450 2.074 5.339
175 HE2 LYS 23 HE2 LYS 23 3.534 1.467 4.320
176 HE3 LYS 23 HE1 LYS 23 4.021 2.152 2.770
177 HZ1 LYS 23 HZ1 LYS 23 4.303 -0.545 3.764
178 HZ2 LYS 23 HZ2 LYS 23 5.686 0.059 3.002
179 HZ3 LYS 23 HZ3 LYS 23 4.213 0.019 2.172
180 H ASP 24 HN ASP 24 8.219 6.733 2.139
181 HA ASP 24 HA ASP 24 6.008 8.377 2.325
182 HB2 ASP 24 HB2 ASP 24 8.663 8.816 2.282
183 HB3 ASP 24 HB1 ASP 24 8.251 9.382 0.666
184 H ALA 25 HN ALA 25 7.385 6.835 -0.493
185 HA ALA 25 HA ALA 25 5.819 8.346 -2.384
186 HB1 ALA 25 HB1 ALA 25 7.826 6.188 -2.507
187 HB2 ALA 25 HB2 ALA 25 7.626 7.612 -3.528
188 HB3 ALA 25 HB3 ALA 25 6.620 6.188 -3.794
189 H VAL 26 HN VAL 26 5.813 5.101 -1.045
190 HA VAL 26 HA VAL 26 3.612 4.009 -2.327
191 HB VAL 26 HB VAL 26 4.717 3.594 0.433
192 HG11 VAL 26 HG11 VAL 26 2.453 2.837 0.557
193 HG12 VAL 26 HG12 VAL 26 3.474 1.408 0.390
194 HG13 VAL 26 HG13 VAL 26 2.580 2.021 -1.001
195 HG21 VAL 26 HG21 VAL 26 5.271 1.337 -0.926
196 HG22 VAL 26 HG22 VAL 26 6.352 2.729 -0.855
197 HG23 VAL 26 HG23 VAL 26 5.287 2.509 -2.244
198 H GLU 27 HN GLU 27 3.804 6.250 0.349
199 HA GLU 27 HA GLU 27 1.102 6.011 1.214
200 HB2 GLU 27 HB2 GLU 27 3.330 7.956 1.634
201 HB3 GLU 27 HB1 GLU 27 1.701 8.408 2.109
202 HG2 GLU 27 HG2 GLU 27 1.601 6.830 3.784
203 HG3 GLU 27 HG1 GLU 27 2.833 5.812 3.039
204 H ASP 28 HN ASP 28 2.918 8.301 -0.747
205 HA ASP 28 HA ASP 28 0.638 9.786 -1.537
206 HB2 ASP 28 HB2 ASP 28 3.342 10.218 -1.672
207 HB3 ASP 28 HB1 ASP 28 2.955 9.853 -3.351
208 H LEU 29 HN LEU 29 1.771 6.732 -2.310
209 HA LEU 29 HA LEU 29 0.498 6.755 -4.960
210 HB2 LEU 29 HB2 LEU 29 2.355 4.772 -3.649
211 HB3 LEU 29 HB1 LEU 29 1.559 4.489 -5.185
212 HG LEU 29 HG LEU 29 3.319 6.886 -4.776
213 HD11 LEU 29 HD11 LEU 29 5.239 5.738 -5.161
214 HD12 LEU 29 HD12 LEU 29 4.428 4.463 -6.070
215 HD13 LEU 29 HD13 LEU 29 4.347 4.479 -4.308
216 HD21 LEU 29 HD21 LEU 29 3.200 7.149 -7.026
217 HD22 LEU 29 HD22 LEU 29 1.662 6.320 -6.787
218 HD23 LEU 29 HD23 LEU 29 3.074 5.417 -7.334
219 H GLU 30 HN GLU 30 -0.031 5.993 -1.736
220 HA GLU 30 HA GLU 30 -1.751 3.746 -2.178
221 HB2 GLU 30 HB2 GLU 30 -0.425 3.977 -0.105
222 HB3 GLU 30 HB1 GLU 30 -1.359 5.408 0.311
223 HG2 GLU 30 HG2 GLU 30 -3.115 4.215 1.027
224 HG3 GLU 30 HG1 GLU 30 -2.954 3.013 -0.253
225 H SER 31 HN SER 31 -2.059 7.195 -1.915
226 HA SER 31 HA SER 31 -4.949 7.017 -1.668
227 HB2 SER 31 HB2 SER 31 -3.010 9.311 -1.532
228 HB3 SER 31 HB1 SER 31 -4.746 9.586 -1.677
229 HG SER 31 HG SER 31 -4.915 8.181 0.233
230 H VAL 32 HN VAL 32 -2.713 7.048 -4.117
231 HA VAL 32 HA VAL 32 -4.061 8.632 -6.022
232 HB VAL 32 HB VAL 32 -2.254 6.290 -6.636
233 HG11 VAL 32 HG11 VAL 32 -2.119 7.097 -8.747
234 HG12 VAL 32 HG12 VAL 32 -2.208 8.778 -8.224
235 HG13 VAL 32 HG13 VAL 32 -3.679 7.814 -8.345
236 HG21 VAL 32 HG21 VAL 32 -1.458 9.134 -6.031
237 HG22 VAL 32 HG22 VAL 32 -0.381 7.842 -6.563
238 HG23 VAL 32 HG23 VAL 32 -1.173 7.740 -4.992
239 H GLY 33 HN GLY 33 -3.703 5.812 -7.588
240 HA2 GLY 33 HA2 GLY 33 -6.361 5.440 -8.249
241 HA3 GLY 33 HA1 GLY 33 -5.125 4.201 -8.403
242 H LYS 34 HN LYS 34 -4.549 4.099 -5.556
243 HA LYS 34 HA LYS 34 -6.581 2.225 -4.805
244 HB2 LYS 34 HB2 LYS 34 -4.108 3.267 -3.438
245 HB3 LYS 34 HB1 LYS 34 -5.215 2.160 -2.638
246 HG2 LYS 34 HG2 LYS 34 -4.783 0.886 -5.004
247 HG3 LYS 34 HG1 LYS 34 -3.224 1.661 -4.721
248 HD2 LYS 34 HD2 LYS 34 -2.717 0.260 -3.051
249 HD3 LYS 34 HD1 LYS 34 -4.318 0.417 -2.324
250 HE2 LYS 34 HE2 LYS 34 -3.661 -1.895 -3.133
251 HE3 LYS 34 HE1 LYS 34 -5.216 -1.279 -3.688
252 HZ1 LYS 34 HZ1 LYS 34 -4.416 -0.936 -5.813
253 HZ2 LYS 34 HZ2 LYS 34 -3.640 -2.373 -5.375
254 HZ3 LYS 34 HZ3 LYS 34 -2.795 -0.908 -5.329
255 H GLY 35 HN GLY 35 -5.857 5.556 -4.071
256 HA2 GLY 35 HA2 GLY 35 -7.685 5.638 -1.818
257 HA3 GLY 35 HA1 GLY 35 -6.766 6.986 -2.466
258 H ALA 36 HN ALA 36 -8.347 5.364 -4.951
259 HA ALA 36 HA ALA 36 -10.133 7.551 -5.387
260 HB1 ALA 36 HB1 ALA 36 -9.243 6.568 -7.332
261 HB2 ALA 36 HB2 ALA 36 -10.936 6.075 -7.297
262 HB3 ALA 36 HB3 ALA 36 -9.677 4.941 -6.807
263 H VAL 37 HN VAL 37 -10.342 4.416 -3.928
264 HA VAL 37 HA VAL 37 -13.190 4.229 -4.009
265 HB VAL 37 HB VAL 37 -11.296 2.743 -2.189
266 HG11 VAL 37 HG11 VAL 37 -13.326 1.045 -2.687
267 HG12 VAL 37 HG12 VAL 37 -14.184 2.584 -2.759
268 HG13 VAL 37 HG13 VAL 37 -13.285 2.143 -1.307
269 HG21 VAL 37 HG21 VAL 37 -10.730 1.331 -3.845
270 HG22 VAL 37 HG22 VAL 37 -11.172 2.674 -4.899
271 HG23 VAL 37 HG23 VAL 37 -12.333 1.385 -4.579
272 H HIS 38 HN HIS 38 -10.833 4.846 -1.442
273 HA HIS 38 HA HIS 38 -12.738 5.493 0.543
274 HB2 HIS 38 HB2 HIS 38 -9.811 6.221 0.317
275 HB3 HIS 38 HB1 HIS 38 -10.790 6.463 1.760
276 HD1 HIS 38 HD1 HIS 38 -10.114 4.749 3.405
277 HD2 HIS 38 HD2 HIS 38 -10.329 3.194 -0.442
278 HE1 HIS 38 HE1 HIS 38 -9.620 2.295 3.643
279 HE2 HIS 38 HE2 HIS 38 -9.666 1.393 1.291
280 H ASP 39 HN ASP 39 -11.415 7.255 -2.103
281 HA ASP 39 HA ASP 39 -11.613 9.884 -1.185
282 HB2 ASP 39 HB2 ASP 39 -11.138 8.583 -3.661
283 HB3 ASP 39 HB1 ASP 39 -12.413 9.766 -3.936
284 H VAL 40 HN VAL 40 -14.067 7.658 -2.295
285 HA VAL 40 HA VAL 40 -16.135 9.589 -2.627
286 HB VAL 40 HB VAL 40 -16.484 6.645 -2.061
287 HG11 VAL 40 HG11 VAL 40 -18.592 6.896 -3.221
288 HG12 VAL 40 HG12 VAL 40 -18.244 8.594 -3.544
289 HG13 VAL 40 HG13 VAL 40 -18.505 8.047 -1.888
290 HG21 VAL 40 HG21 VAL 40 -15.532 8.064 -4.469
291 HG22 VAL 40 HG22 VAL 40 -16.751 6.816 -4.728
292 HG23 VAL 40 HG23 VAL 40 -15.231 6.412 -3.930
293 H LYS 41 HN LYS 41 -14.960 7.667 0.053
294 HA LYS 41 HA LYS 41 -17.168 8.083 1.783
295 HB2 LYS 41 HB2 LYS 41 -15.383 6.308 2.021
296 HB3 LYS 41 HB1 LYS 41 -14.309 7.570 2.608
297 HG2 LYS 41 HG2 LYS 41 -15.058 6.905 4.615
298 HG3 LYS 41 HG1 LYS 41 -16.421 7.958 4.231
299 HD2 LYS 41 HD2 LYS 41 -17.655 6.125 4.659
300 HD3 LYS 41 HD1 LYS 41 -17.189 5.653 3.024
301 HE2 LYS 41 HE2 LYS 41 -16.358 3.799 3.945
302 HE3 LYS 41 HE1 LYS 41 -15.058 4.817 4.561
303 HZ1 LYS 41 HZ1 LYS 41 -16.580 3.317 6.119
304 HZ2 LYS 41 HZ2 LYS 41 -17.500 4.736 6.142
305 HZ3 LYS 41 HZ3 LYS 41 -15.886 4.768 6.644
306 H ASP 42 HN ASP 42 -14.244 9.889 1.100
307 HA ASP 42 HA ASP 42 -14.382 11.659 3.300
308 HB2 ASP 42 HB2 ASP 42 -12.412 11.231 1.699
309 HB3 ASP 42 HB1 ASP 42 -13.204 12.380 0.625
310 H VAL 43 HN VAL 43 -15.718 11.759 0.045
311 HA VAL 43 HA VAL 43 -16.797 14.410 0.358
312 HB VAL 43 HB VAL 43 -17.522 12.371 -1.747
313 HG11 VAL 43 HG11 VAL 43 -19.038 14.281 -1.574
314 HG12 VAL 43 HG12 VAL 43 -18.119 14.324 -3.079
315 HG13 VAL 43 HG13 VAL 43 -17.672 15.384 -1.742
316 HG21 VAL 43 HG21 VAL 43 -15.257 14.357 -1.678
317 HG22 VAL 43 HG22 VAL 43 -15.816 13.552 -3.144
318 HG23 VAL 43 HG23 VAL 43 -15.145 12.603 -1.819
319 H LEU 44 HN LEU 44 -17.910 11.125 0.769
320 HA LEU 44 HA LEU 44 -20.672 11.563 0.790
321 HB2 LEU 44 HB2 LEU 44 -19.132 9.378 0.992
322 HB3 LEU 44 HB1 LEU 44 -19.551 9.575 2.684
323 HG LEU 44 HG LEU 44 -21.655 9.491 0.537
324 HD11 LEU 44 HD11 LEU 44 -20.269 7.223 1.925
325 HD12 LEU 44 HD12 LEU 44 -20.605 7.431 0.206
326 HD13 LEU 44 HD13 LEU 44 -21.921 7.073 1.325
327 HD21 LEU 44 HD21 LEU 44 -22.772 10.173 2.383
328 HD22 LEU 44 HD22 LEU 44 -21.575 9.502 3.491
329 HD23 LEU 44 HD23 LEU 44 -22.767 8.445 2.735
330 H ASP 45 HN ASP 45 -18.227 12.159 3.200
331 HA ASP 45 HA ASP 45 -19.998 12.451 5.412
332 HB2 ASP 45 HB2 ASP 45 -17.136 13.193 4.892
333 HB3 ASP 45 HB1 ASP 45 -17.951 13.768 6.344
334 H SER 46 HN SER 46 -18.866 14.567 2.884
335 HA SER 46 HA SER 46 -19.791 16.971 4.186
336 HB2 SER 46 HB2 SER 46 -18.647 16.376 1.461
337 HB3 SER 46 HB1 SER 46 -19.298 17.965 1.864
338 HG SER 46 HG SER 46 -17.113 16.612 3.047
339 H VAL 47 HN VAL 47 -20.992 14.668 1.854
340 HA VAL 47 HA VAL 47 -23.112 16.212 0.809
341 HB VAL 47 HB VAL 47 -23.044 13.206 1.098
342 HG11 VAL 47 HG11 VAL 47 -25.228 14.099 0.492
343 HG12 VAL 47 HG12 VAL 47 -24.506 13.236 -0.867
344 HG13 VAL 47 HG13 VAL 47 -24.503 15.000 -0.840
345 HG21 VAL 47 HG21 VAL 47 -21.585 13.027 -0.599
346 HG22 VAL 47 HG22 VAL 47 -21.136 14.678 -0.170
347 HG23 VAL 47 HG23 VAL 47 -22.285 14.387 -1.476
348 H LEU 48 HN LEU 48 -22.774 14.285 3.708
349 HA LEU 48 HA LEU 48 -25.598 14.375 4.323
350 HB2 LEU 48 HB2 LEU 48 -23.181 13.137 5.499
351 HB3 LEU 48 HB1 LEU 48 -24.461 13.547 6.625
352 HG LEU 48 HG LEU 48 -25.085 11.958 4.163
353 HD11 LEU 48 HD11 LEU 48 -24.765 9.912 5.553
354 HD12 LEU 48 HD12 LEU 48 -23.930 10.914 6.741
355 HD13 LEU 48 HD13 LEU 48 -23.268 10.735 5.116
356 HD21 LEU 48 HD21 LEU 48 -26.283 12.079 6.928
357 HD22 LEU 48 HD22 LEU 48 -26.868 11.086 5.593
358 HD23 LEU 48 HD23 LEU 48 -26.934 12.844 5.479