NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538537 |
2lrd   |
18357 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 0.770 0.486 1.794
2 H2 ALA 1 HT2 ALA 1 2.033 -0.552 1.276
3 H3 ALA 1 HT3 ALA 1 0.847 -1.119 2.377
4 HA ALA 1 HA ALA 1 0.838 -1.340 -0.334
5 HB1 ALA 1 HB1 ALA 1 -1.714 -1.571 1.183
6 HB2 ALA 1 HB2 ALA 1 -0.360 -2.597 1.673
7 HB3 ALA 1 HB3 ALA 1 -0.980 -2.677 0.021
8 H MET 2 HN MET 2 -0.338 -0.462 -1.995
9 HA MET 2 HA MET 2 -0.866 2.278 -1.960
10 HB2 MET 2 HB2 MET 2 -0.479 0.712 -3.964
11 HB3 MET 2 HB1 MET 2 -2.200 0.360 -3.864
12 HG2 MET 2 HG2 MET 2 -2.685 2.750 -4.167
13 HG3 MET 2 HG1 MET 2 -0.957 3.060 -4.324
14 HE1 MET 2 HE1 MET 2 -1.236 3.671 -7.809
15 HE2 MET 2 HE2 MET 2 -1.477 4.328 -6.189
16 HE3 MET 2 HE3 MET 2 -2.871 3.907 -7.185
17 H GLY 3 HN GLY 3 -3.244 -0.393 -2.059
18 HA2 GLY 3 HA2 GLY 3 -5.252 -0.454 -0.825
19 HA3 GLY 3 HA1 GLY 3 -4.960 1.188 -0.346
20 H LYS 4 HN LYS 4 -7.272 1.155 -0.746
21 HA LYS 4 HA LYS 4 -8.183 1.382 -3.483
22 HB2 LYS 4 HB2 LYS 4 -9.406 0.540 -1.288
23 HB3 LYS 4 HB1 LYS 4 -9.683 2.259 -1.046
24 HG2 LYS 4 HG2 LYS 4 -10.736 2.366 -3.306
25 HG3 LYS 4 HG1 LYS 4 -10.602 0.611 -3.398
26 HD2 LYS 4 HD2 LYS 4 -12.814 1.089 -2.690
27 HD3 LYS 4 HD1 LYS 4 -11.945 0.513 -1.265
28 HE2 LYS 4 HE2 LYS 4 -11.700 2.729 -0.422
29 HE3 LYS 4 HE1 LYS 4 -12.280 3.432 -1.930
30 HZ1 LYS 4 HZ1 LYS 4 -14.356 1.880 -1.231
31 HZ2 LYS 4 HZ2 LYS 4 -14.216 3.524 -0.847
32 HZ3 LYS 4 HZ3 LYS 4 -13.785 2.354 0.295
33 H CYS 5 HN CYS 5 -6.030 2.962 -2.654
34 HA CYS 5 HA CYS 5 -7.095 5.699 -2.780
35 HB2 CYS 5 HB2 CYS 5 -4.707 4.848 -1.146
36 HB3 CYS 5 HB1 CYS 5 -5.630 6.352 -1.000
37 H SER 6 HN SER 6 -6.498 5.841 -5.021
38 HA SER 6 HA SER 6 -3.921 5.095 -5.960
39 HB2 SER 6 HB2 SER 6 -5.892 7.030 -7.202
40 HB3 SER 6 HB1 SER 6 -4.500 6.313 -8.011
41 HG SER 6 HG SER 6 -5.545 4.481 -8.231
42 H VAL 7 HN VAL 7 -2.735 7.117 -7.297
43 HA VAL 7 HA VAL 7 -1.302 8.475 -5.397
44 HB VAL 7 HB VAL 7 -0.706 10.062 -7.309
45 HG11 VAL 7 HG11 VAL 7 -0.289 7.127 -7.143
46 HG12 VAL 7 HG12 VAL 7 0.873 8.445 -6.944
47 HG13 VAL 7 HG13 VAL 7 0.328 7.979 -8.561
48 HG21 VAL 7 HG21 VAL 7 -2.832 9.608 -8.581
49 HG22 VAL 7 HG22 VAL 7 -2.172 8.016 -8.954
50 HG23 VAL 7 HG23 VAL 7 -1.347 9.464 -9.515
51 H LEU 8 HN LEU 8 -4.086 9.729 -7.218
52 HA LEU 8 HA LEU 8 -3.978 12.301 -5.984
53 HB2 LEU 8 HB2 LEU 8 -5.028 11.675 -8.219
54 HB3 LEU 8 HB1 LEU 8 -6.358 10.991 -7.304
55 HG LEU 8 HG LEU 8 -6.675 13.314 -8.285
56 HD11 LEU 8 HD11 LEU 8 -7.128 13.293 -5.329
57 HD12 LEU 8 HD12 LEU 8 -7.972 12.160 -6.382
58 HD13 LEU 8 HD13 LEU 8 -8.169 13.897 -6.618
59 HD21 LEU 8 HD21 LEU 8 -5.032 14.151 -5.902
60 HD22 LEU 8 HD22 LEU 8 -5.768 15.189 -7.127
61 HD23 LEU 8 HD23 LEU 8 -4.423 14.132 -7.560
62 H LYS 9 HN LYS 9 -5.969 9.374 -5.418
63 HA LYS 9 HA LYS 9 -7.286 10.662 -3.230
64 HB2 LYS 9 HB2 LYS 9 -7.354 7.808 -4.190
65 HB3 LYS 9 HB1 LYS 9 -8.341 8.442 -2.892
66 HG2 LYS 9 HG2 LYS 9 -9.209 10.148 -4.601
67 HG3 LYS 9 HG1 LYS 9 -8.453 9.115 -5.818
68 HD2 LYS 9 HD2 LYS 9 -10.603 8.288 -5.797
69 HD3 LYS 9 HD1 LYS 9 -9.804 7.218 -4.645
70 HE2 LYS 9 HE2 LYS 9 -11.961 7.935 -3.780
71 HE3 LYS 9 HE1 LYS 9 -10.651 8.571 -2.789
72 HZ1 LYS 9 HZ1 LYS 9 -12.703 10.018 -3.922
73 HZ2 LYS 9 HZ2 LYS 9 -11.351 10.410 -4.864
74 HZ3 LYS 9 HZ3 LYS 9 -11.315 10.644 -3.189
75 H LYS 10 HN LYS 10 -4.258 9.795 -3.454
76 HA LYS 10 HA LYS 10 -3.934 8.388 -0.914
77 HB2 LYS 10 HB2 LYS 10 -2.461 8.087 -3.048
78 HB3 LYS 10 HB1 LYS 10 -1.726 9.614 -2.572
79 HG2 LYS 10 HG2 LYS 10 -1.157 8.575 -0.378
80 HG3 LYS 10 HG1 LYS 10 -1.736 7.037 -1.021
81 HD2 LYS 10 HD2 LYS 10 -0.099 7.292 -2.895
82 HD3 LYS 10 HD1 LYS 10 0.544 8.712 -2.067
83 HE2 LYS 10 HE2 LYS 10 1.947 6.903 -1.474
84 HE3 LYS 10 HE1 LYS 10 0.935 7.225 -0.069
85 HZ1 LYS 10 HZ1 LYS 10 0.986 4.904 -1.828
86 HZ2 LYS 10 HZ2 LYS 10 -0.542 5.402 -1.289
87 HZ3 LYS 10 HZ3 LYS 10 0.660 5.002 -0.160
88 H VAL 11 HN VAL 11 -4.326 11.389 -2.259
89 HA VAL 11 HA VAL 11 -3.022 12.909 -0.152
90 HB VAL 11 HB VAL 11 -3.604 13.318 -2.892
91 HG11 VAL 11 HG11 VAL 11 -4.978 15.491 -1.357
92 HG12 VAL 11 HG12 VAL 11 -5.848 14.112 -2.031
93 HG13 VAL 11 HG13 VAL 11 -4.964 15.202 -3.095
94 HG21 VAL 11 HG21 VAL 11 -1.858 14.246 -1.047
95 HG22 VAL 11 HG22 VAL 11 -2.801 15.695 -1.431
96 HG23 VAL 11 HG23 VAL 11 -1.988 14.801 -2.718
97 H ALA 12 HN ALA 12 -5.967 11.620 -1.224
98 HA ALA 12 HA ALA 12 -7.650 13.244 0.495
99 HB1 ALA 12 HB1 ALA 12 -8.570 10.977 -1.233
100 HB2 ALA 12 HB2 ALA 12 -8.219 12.572 -1.895
101 HB3 ALA 12 HB3 ALA 12 -9.477 12.381 -0.673
102 H CYS 13 HN CYS 13 -6.017 10.191 0.728
103 HA CYS 13 HA CYS 13 -7.979 8.924 2.369
104 HB2 CYS 13 HB2 CYS 13 -6.033 7.544 3.274
105 HB3 CYS 13 HB1 CYS 13 -6.419 7.368 1.554
106 H ALA 14 HN ALA 14 -5.445 11.211 2.918
107 HA ALA 14 HA ALA 14 -5.274 10.980 5.717
108 HB1 ALA 14 HB1 ALA 14 -4.406 13.338 5.596
109 HB2 ALA 14 HB2 ALA 14 -4.762 13.313 3.871
110 HB3 ALA 14 HB3 ALA 14 -3.575 12.197 4.542
111 H ALA 15 HN ALA 15 -7.592 12.374 3.596
112 HA ALA 15 HA ALA 15 -8.924 13.892 5.673
113 HB1 ALA 15 HB1 ALA 15 -9.017 15.017 3.630
114 HB2 ALA 15 HB2 ALA 15 -10.600 14.249 3.735
115 HB3 ALA 15 HB3 ALA 15 -9.340 13.540 2.726
116 H ALA 16 HN ALA 16 -9.247 10.945 3.818
117 HA ALA 16 HA ALA 16 -11.857 10.206 4.605
118 HB1 ALA 16 HB1 ALA 16 -11.496 8.265 3.482
119 HB2 ALA 16 HB2 ALA 16 -9.847 8.096 4.085
120 HB3 ALA 16 HB3 ALA 16 -10.199 9.230 2.780
121 H ILE 17 HN ILE 17 -8.671 9.228 5.869
122 HA ILE 17 HA ILE 17 -9.941 7.867 8.033
123 HB ILE 17 HB ILE 17 -7.937 6.872 7.267
124 HG12 ILE 17 HG12 ILE 17 -8.445 7.233 9.823
125 HG13 ILE 17 HG11 ILE 17 -7.007 6.400 9.265
126 HG21 ILE 17 HG21 ILE 17 -5.792 8.373 8.074
127 HG22 ILE 17 HG22 ILE 17 -6.833 9.538 7.214
128 HG23 ILE 17 HG23 ILE 17 -6.287 8.062 6.379
129 HD11 ILE 17 HD11 ILE 17 -6.424 9.163 9.371
130 HD12 ILE 17 HD12 ILE 17 -5.734 7.851 10.323
131 HD13 ILE 17 HD13 ILE 17 -7.178 8.684 10.891
132 H ALA 18 HN ALA 18 -8.815 11.045 7.495
133 HA ALA 18 HA ALA 18 -8.161 12.034 9.971
134 HB1 ALA 18 HB1 ALA 18 -9.588 13.249 7.659
135 HB2 ALA 18 HB2 ALA 18 -8.007 13.635 8.341
136 HB3 ALA 18 HB3 ALA 18 -9.474 14.146 9.174
137 H GLY 19 HN GLY 19 -11.434 11.441 8.726
138 HA2 GLY 19 HA2 GLY 19 -12.811 12.571 10.933
139 HA3 GLY 19 HA1 GLY 19 -13.478 11.416 9.789
140 H ALA 20 HN ALA 20 -11.177 9.559 10.526
141 HA ALA 20 HA ALA 20 -12.564 8.255 12.688
142 HB1 ALA 20 HB1 ALA 20 -10.535 6.611 12.270
143 HB2 ALA 20 HB2 ALA 20 -10.486 7.476 10.734
144 HB3 ALA 20 HB3 ALA 20 -11.955 6.631 11.229
145 H VAL 21 HN VAL 21 -9.409 9.763 12.147
146 HA VAL 21 HA VAL 21 -8.446 9.090 14.750
147 HB VAL 21 HB VAL 21 -6.749 10.796 14.465
148 HG11 VAL 21 HG11 VAL 21 -7.227 8.717 12.434
149 HG12 VAL 21 HG12 VAL 21 -5.860 8.954 13.536
150 HG13 VAL 21 HG13 VAL 21 -5.981 9.917 12.061
151 HG21 VAL 21 HG21 VAL 21 -8.338 12.315 13.158
152 HG22 VAL 21 HG22 VAL 21 -7.722 11.462 11.738
153 HG23 VAL 21 HG23 VAL 21 -6.611 12.342 12.793
154 H ALA 22 HN ALA 22 -10.144 11.737 13.305
155 HA ALA 22 HA ALA 22 -10.159 13.549 15.448
156 HB1 ALA 22 HB1 ALA 22 -11.404 13.309 12.889
157 HB2 ALA 22 HB2 ALA 22 -11.197 14.750 13.883
158 HB3 ALA 22 HB3 ALA 22 -12.629 13.744 14.077
159 H ALA 23 HN ALA 23 -11.808 10.566 14.888
160 HA ALA 23 HA ALA 23 -13.919 11.015 16.775
161 HB1 ALA 23 HB1 ALA 23 -13.823 8.315 16.504
162 HB2 ALA 23 HB2 ALA 23 -13.066 8.835 14.995
163 HB3 ALA 23 HB3 ALA 23 -14.688 9.396 15.411
164 H CYS 24 HN CYS 24 -10.617 9.953 16.906
165 HA CYS 24 HA CYS 24 -11.026 9.038 19.679
166 HB2 CYS 24 HB2 CYS 24 -9.944 7.565 17.806
167 HB3 CYS 24 HB1 CYS 24 -8.508 8.526 18.151
168 H GLY 25 HN GLY 25 -8.663 10.873 17.679
169 HA2 GLY 25 HA2 GLY 25 -8.241 13.150 18.776
170 HA3 GLY 25 HA1 GLY 25 -7.749 12.173 20.150
171 H GLY 26 HN GLY 26 -7.159 12.144 16.641
172 HA2 GLY 26 HA2 GLY 26 -4.999 12.678 15.706
173 HA3 GLY 26 HA1 GLY 26 -4.266 12.130 17.211
174 H ILE 27 HN ILE 27 -3.079 11.037 15.165
175 HA ILE 27 HA ILE 27 -4.304 8.747 13.997
176 HB ILE 27 HB ILE 27 -1.404 9.553 14.272
177 HG12 ILE 27 HG12 ILE 27 -2.991 10.781 12.724
178 HG13 ILE 27 HG11 ILE 27 -1.599 10.042 11.931
179 HG21 ILE 27 HG21 ILE 27 -1.632 7.064 14.235
180 HG22 ILE 27 HG22 ILE 27 -0.790 7.730 12.838
181 HG23 ILE 27 HG23 ILE 27 -2.470 7.219 12.693
182 HD11 ILE 27 HD11 ILE 27 -3.343 8.030 11.695
183 HD12 ILE 27 HD12 ILE 27 -3.204 9.336 10.507
184 HD13 ILE 27 HD13 ILE 27 -4.466 9.390 11.736
185 H ASP 28 HN ASP 28 -5.271 7.751 15.810
186 HA ASP 28 HA ASP 28 -3.460 6.153 17.514
187 HB2 ASP 28 HB2 ASP 28 -5.388 7.532 18.621
188 HB3 ASP 28 HB1 ASP 28 -6.470 6.402 17.836
189 H LEU 29 HN LEU 29 -3.002 4.984 15.565
190 HA LEU 29 HA LEU 29 -4.701 4.150 13.751
191 HB2 LEU 29 HB2 LEU 29 -3.126 2.119 13.418
192 HB3 LEU 29 HB1 LEU 29 -2.645 3.747 13.058
193 HG LEU 29 HG LEU 29 -1.845 2.286 15.580
194 HD11 LEU 29 HD11 LEU 29 -0.672 1.112 13.984
195 HD12 LEU 29 HD12 LEU 29 0.419 2.480 14.259
196 HD13 LEU 29 HD13 LEU 29 -0.651 2.477 12.857
197 HD21 LEU 29 HD21 LEU 29 -1.083 4.933 14.363
198 HD22 LEU 29 HD22 LEU 29 -0.055 4.098 15.527
199 HD23 LEU 29 HD23 LEU 29 -1.677 4.610 15.992
200 HA PRO 30 HA PRO 30 -6.108 0.086 15.818
201 HB2 PRO 30 HB2 PRO 30 -6.241 0.083 18.547
202 HB3 PRO 30 HB1 PRO 30 -4.902 -0.618 17.630
203 HG2 PRO 30 HG2 PRO 30 -5.073 2.003 19.043
204 HG3 PRO 30 HG1 PRO 30 -3.698 0.890 18.901
205 HD2 PRO 30 HD2 PRO 30 -3.954 3.177 17.426
206 HD3 PRO 30 HD1 PRO 30 -3.060 1.745 16.872
207 H CYS 31 HN CYS 31 -6.595 3.281 17.014
208 HA CYS 31 HA CYS 31 -9.318 2.864 17.873
209 HB2 CYS 31 HB2 CYS 31 -7.445 4.586 18.722
210 HB3 CYS 31 HB1 CYS 31 -8.185 5.580 17.479
211 H VAL 32 HN VAL 32 -7.699 4.836 15.348
212 HA VAL 32 HA VAL 32 -10.117 5.703 14.166
213 HB VAL 32 HB VAL 32 -8.822 6.999 12.834
214 HG11 VAL 32 HG11 VAL 32 -6.755 5.770 14.599
215 HG12 VAL 32 HG12 VAL 32 -7.592 7.320 14.767
216 HG13 VAL 32 HG13 VAL 32 -6.399 7.088 13.480
217 HG21 VAL 32 HG21 VAL 32 -7.101 6.289 11.353
218 HG22 VAL 32 HG22 VAL 32 -8.531 5.253 11.193
219 HG23 VAL 32 HG23 VAL 32 -7.107 4.668 12.076
220 H LEU 33 HN LEU 33 -8.106 2.871 13.578
221 HA LEU 33 HA LEU 33 -9.144 2.119 11.116
222 HB2 LEU 33 HB2 LEU 33 -7.196 1.159 12.461
223 HB3 LEU 33 HB1 LEU 33 -8.401 0.149 13.244
224 HG LEU 33 HG LEU 33 -9.019 -0.342 10.682
225 HD11 LEU 33 HD11 LEU 33 -6.456 -0.765 9.862
226 HD12 LEU 33 HD12 LEU 33 -6.311 0.792 10.675
227 HD13 LEU 33 HD13 LEU 33 -7.469 0.597 9.350
228 HD21 LEU 33 HD21 LEU 33 -8.570 -2.364 11.437
229 HD22 LEU 33 HD22 LEU 33 -7.763 -1.634 12.831
230 HD23 LEU 33 HD23 LEU 33 -6.841 -2.035 11.379
231 H ALA 34 HN ALA 34 -10.544 1.742 14.319
232 HA ALA 34 HA ALA 34 -12.473 -0.223 13.675
233 HB1 ALA 34 HB1 ALA 34 -11.901 0.324 15.979
234 HB2 ALA 34 HB2 ALA 34 -13.629 0.533 15.703
235 HB3 ALA 34 HB3 ALA 34 -12.571 1.939 15.776
236 H ALA 35 HN ALA 35 -12.462 3.286 13.421
237 HA ALA 35 HA ALA 35 -15.221 3.318 12.462
238 HB1 ALA 35 HB1 ALA 35 -13.324 5.323 13.502
239 HB2 ALA 35 HB2 ALA 35 -15.064 5.163 13.757
240 HB3 ALA 35 HB3 ALA 35 -14.450 5.879 12.263
241 H LEU 36 HN LEU 36 -11.948 4.056 11.367
242 HA LEU 36 HA LEU 36 -12.632 5.008 8.805
243 HB2 LEU 36 HB2 LEU 36 -10.462 5.522 9.619
244 HB3 LEU 36 HB1 LEU 36 -10.096 3.826 9.926
245 HG LEU 36 HG LEU 36 -10.353 3.466 7.431
246 HD11 LEU 36 HD11 LEU 36 -10.143 6.451 7.446
247 HD12 LEU 36 HD12 LEU 36 -11.531 5.477 6.937
248 HD13 LEU 36 HD13 LEU 36 -10.028 5.408 6.020
249 HD21 LEU 36 HD21 LEU 36 -8.086 5.314 8.000
250 HD22 LEU 36 HD22 LEU 36 -8.160 3.881 6.951
251 HD23 LEU 36 HD23 LEU 36 -8.161 3.700 8.724
252 H LYS 37 HN LYS 37 -12.494 1.813 10.100
253 HA LYS 37 HA LYS 37 -11.710 0.516 7.770
254 HB2 LYS 37 HB2 LYS 37 -12.339 -0.351 10.288
255 HB3 LYS 37 HB1 LYS 37 -13.720 -0.957 9.385
256 HG2 LYS 37 HG2 LYS 37 -10.847 -1.506 8.645
257 HG3 LYS 37 HG1 LYS 37 -11.852 -2.586 9.621
258 HD2 LYS 37 HD2 LYS 37 -13.341 -2.982 7.812
259 HD3 LYS 37 HD1 LYS 37 -12.658 -1.660 6.873
260 HE2 LYS 37 HE2 LYS 37 -11.935 -3.814 6.008
261 HE3 LYS 37 HE1 LYS 37 -10.564 -2.899 6.624
262 HZ1 LYS 37 HZ1 LYS 37 -10.226 -5.025 7.434
263 HZ2 LYS 37 HZ2 LYS 37 -11.864 -5.285 7.778
264 HZ3 LYS 37 HZ3 LYS 37 -10.948 -4.252 8.756
265 H ALA 38 HN ALA 38 -14.603 2.196 8.428
266 HA ALA 38 HA ALA 38 -16.438 0.836 6.743
267 HB1 ALA 38 HB1 ALA 38 -16.304 3.803 7.330
268 HB2 ALA 38 HB2 ALA 38 -17.113 2.608 8.347
269 HB3 ALA 38 HB3 ALA 38 -17.699 2.917 6.711
270 H ALA 39 HN ALA 39 -13.773 2.943 6.278
271 HA ALA 39 HA ALA 39 -14.211 3.373 3.428
272 HB1 ALA 39 HB1 ALA 39 -13.193 5.181 4.778
273 HB2 ALA 39 HB2 ALA 39 -12.080 4.602 3.539
274 HB3 ALA 39 HB3 ALA 39 -11.869 4.094 5.222
275 H GLU 40 HN GLU 40 -14.231 0.758 3.809
276 HA GLU 40 HA GLU 40 -11.957 -0.712 4.120
277 HB2 GLU 40 HB2 GLU 40 -13.055 -2.362 2.495
278 HB3 GLU 40 HB1 GLU 40 -13.939 -1.933 3.953
279 HG2 GLU 40 HG2 GLU 40 -15.315 -0.387 2.688
280 HG3 GLU 40 HG1 GLU 40 -14.398 -0.745 1.226
281 H GLY 41 HN GLY 41 -10.080 -0.114 3.292
282 HA2 GLY 41 HA2 GLY 41 -8.758 -0.721 1.278
283 HA3 GLY 41 HA1 GLY 41 -9.970 0.159 0.365
284 H CYS 42 HN CYS 42 -9.926 2.323 2.703
285 HA CYS 42 HA CYS 42 -7.448 3.464 1.635
286 HB2 CYS 42 HB2 CYS 42 -10.025 4.618 1.679
287 HB3 CYS 42 HB1 CYS 42 -9.052 5.503 2.849
288 H ALA 43 HN ALA 43 -8.584 1.837 4.044
289 HA ALA 43 HA ALA 43 -7.426 3.205 6.299
290 HB1 ALA 43 HB1 ALA 43 -7.988 1.276 7.535
291 HB2 ALA 43 HB2 ALA 43 -7.995 0.256 6.094
292 HB3 ALA 43 HB3 ALA 43 -9.293 1.433 6.351
293 H SER 44 HN SER 44 -6.698 1.027 3.783
294 HA SER 44 HA SER 44 -4.193 0.038 4.572
295 HB2 SER 44 HB2 SER 44 -5.538 -0.990 2.793
296 HB3 SER 44 HB1 SER 44 -5.403 0.470 1.800
297 HG SER 44 HG SER 44 -3.089 0.087 1.813
298 H CYS 45 HN CYS 45 -5.282 3.091 3.339
299 HA CYS 45 HA CYS 45 -2.695 4.053 2.451
300 HB2 CYS 45 HB2 CYS 45 -5.124 4.908 1.793
301 HB3 CYS 45 HB1 CYS 45 -4.928 5.908 3.235
302 H PHE 46 HN PHE 46 -4.793 4.252 5.203
303 HA PHE 46 HA PHE 46 -3.384 6.078 6.796
304 HB2 PHE 46 HB2 PHE 46 -5.621 5.699 7.366
305 HB3 PHE 46 HB1 PHE 46 -5.469 3.954 7.231
306 HD1 PHE 46 HD1 PHE 46 -4.878 6.874 9.517
307 HD2 PHE 46 HD2 PHE 46 -4.843 2.633 9.022
308 HE1 PHE 46 HE1 PHE 46 -4.703 6.615 11.835
309 HE2 PHE 46 HE2 PHE 46 -4.698 2.388 11.414
310 HZ PHE 46 HZ PHE 46 -4.606 4.350 12.852
311 H CYS 47 HN CYS 47 -3.506 2.483 7.020
312 HA CYS 47 HA CYS 47 -1.340 2.388 8.888
313 HB2 CYS 47 HB2 CYS 47 -3.300 0.667 8.019
314 HB3 CYS 47 HB1 CYS 47 -1.819 -0.056 7.405
315 H GLU 48 HN GLU 48 -1.152 2.994 5.604
316 HA GLU 48 HA GLU 48 0.859 1.267 4.720
317 HB2 GLU 48 HB2 GLU 48 -0.504 3.004 3.392
318 HB3 GLU 48 HB1 GLU 48 0.711 4.167 3.904
319 HG2 GLU 48 HG2 GLU 48 2.441 2.690 2.874
320 HG3 GLU 48 HG1 GLU 48 1.125 1.717 2.219
321 H ASP 49 HN ASP 49 1.260 4.568 6.009
322 HA ASP 49 HA ASP 49 4.113 4.228 6.247
323 HB2 ASP 49 HB2 ASP 49 3.077 6.411 5.679
324 HB3 ASP 49 HB1 ASP 49 2.338 6.454 7.279
325 H HIS 50 HN HIS 50 1.392 3.587 8.186
326 HA HIS 50 HA HIS 50 2.936 3.578 10.685
327 HB2 HIS 50 HB2 HIS 50 0.014 2.888 10.379
328 HB3 HIS 50 HB1 HIS 50 0.859 3.388 11.837
329 HD1 HIS 50 HD1 HIS 50 -1.662 4.836 11.075
330 HD2 HIS 50 HD2 HIS 50 2.102 6.018 9.775
331 HE1 HIS 50 HE1 HIS 50 -1.894 7.266 10.510
332 HE2 HIS 50 HE2 HIS 50 0.445 8.018 9.903
333 H CYS 51 HN CYS 51 3.480 1.686 8.613
334 HA CYS 51 HA CYS 51 2.211 -0.794 9.287
335 HB2 CYS 51 HB2 CYS 51 3.035 -0.265 7.009
336 HB3 CYS 51 HB1 CYS 51 4.684 -0.353 7.611
337 H HIS 52 HN HIS 52 2.646 -0.909 11.551
338 HA HIS 52 HA HIS 52 5.012 -2.409 12.126
339 HB2 HIS 52 HB2 HIS 52 5.600 -0.940 14.124
340 HB3 HIS 52 HB1 HIS 52 6.003 -0.309 12.531
341 HD1 HIS 52 HD1 HIS 52 3.100 0.066 15.004
342 HD2 HIS 52 HD2 HIS 52 5.313 2.259 12.241
343 HE1 HIS 52 HE1 HIS 52 2.207 2.415 15.128
344 HE2 HIS 52 HE2 HIS 52 3.590 3.743 13.481
345 H GLY 53 HN GLY 53 4.745 -1.990 15.006
346 HA2 GLY 53 HA2 GLY 53 3.570 -3.982 16.123
347 HA3 GLY 53 HA1 GLY 53 3.222 -2.406 16.774
348 H VAL 54 HN VAL 54 1.276 -1.313 15.991
349 HA VAL 54 HA VAL 54 -0.753 -3.251 15.524
350 HB VAL 54 HB VAL 54 -0.558 -1.181 17.384
351 HG11 VAL 54 HG11 VAL 54 -2.385 0.326 16.641
352 HG12 VAL 54 HG12 VAL 54 -2.234 -0.460 15.042
353 HG13 VAL 54 HG13 VAL 54 -0.858 0.417 15.743
354 HG21 VAL 54 HG21 VAL 54 -2.264 -3.285 16.875
355 HG22 VAL 54 HG22 VAL 54 -3.315 -1.874 16.763
356 HG23 VAL 54 HG23 VAL 54 -2.377 -2.162 18.230
357 H CYS 55 HN CYS 55 -0.958 -3.433 13.665
358 HA CYS 55 HA CYS 55 -1.974 -1.925 11.592
359 HB2 CYS 55 HB2 CYS 55 0.371 -0.779 11.810
360 HB3 CYS 55 HB1 CYS 55 1.028 -2.293 11.200
361 H LYS 56 HN LYS 56 0.216 -4.132 12.928
362 HA LYS 56 HA LYS 56 -0.340 -6.289 11.026
363 HB2 LYS 56 HB2 LYS 56 1.919 -6.088 12.131
364 HB3 LYS 56 HB1 LYS 56 1.139 -6.356 13.684
365 HG2 LYS 56 HG2 LYS 56 0.331 -8.564 12.751
366 HG3 LYS 56 HG1 LYS 56 1.426 -8.287 11.397
367 HD2 LYS 56 HD2 LYS 56 2.580 -9.655 12.951
368 HD3 LYS 56 HD1 LYS 56 3.270 -8.035 13.075
369 HE2 LYS 56 HE2 LYS 56 2.947 -9.007 15.286
370 HE3 LYS 56 HE1 LYS 56 1.900 -7.605 15.065
371 HZ1 LYS 56 HZ1 LYS 56 1.144 -10.478 15.054
372 HZ2 LYS 56 HZ2 LYS 56 0.115 -9.285 14.425
373 HZ3 LYS 56 HZ3 LYS 56 0.563 -9.239 16.055
374 H ASP 57 HN ASP 57 -1.125 -4.926 14.112
375 HA ASP 57 HA ASP 57 -2.950 -7.031 14.930
376 HB2 ASP 57 HB2 ASP 57 -1.546 -5.058 16.294
377 HB3 ASP 57 HB1 ASP 57 -3.180 -4.410 16.234
378 H LEU 58 HN LEU 58 -2.897 -3.877 13.474
379 HA LEU 58 HA LEU 58 -5.617 -3.237 13.465
380 HB2 LEU 58 HB2 LEU 58 -3.094 -2.304 12.460
381 HB3 LEU 58 HB1 LEU 58 -4.273 -2.183 11.213
382 HG LEU 58 HG LEU 58 -5.685 -0.780 12.750
383 HD11 LEU 58 HD11 LEU 58 -4.406 0.188 14.677
384 HD12 LEU 58 HD12 LEU 58 -3.239 -1.136 14.476
385 HD13 LEU 58 HD13 LEU 58 -4.934 -1.490 14.874
386 HD21 LEU 58 HD21 LEU 58 -2.996 0.471 12.582
387 HD22 LEU 58 HD22 LEU 58 -4.586 1.148 12.232
388 HD23 LEU 58 HD23 LEU 58 -3.837 0.027 11.098
389 H HIS 59 HN HIS 59 -3.539 -5.178 11.486
390 HA HIS 59 HA HIS 59 -3.900 -6.928 10.128
391 HB2 HIS 59 HB2 HIS 59 -6.307 -6.819 11.401
392 HB3 HIS 59 HB1 HIS 59 -6.788 -6.596 9.719
393 HD1 HIS 59 HD1 HIS 59 -4.555 -8.986 11.687
394 HD2 HIS 59 HD2 HIS 59 -7.177 -8.952 8.452
395 HE1 HIS 59 HE1 HIS 59 -4.689 -11.369 10.897
396 HE2 HIS 59 HE2 HIS 59 -6.282 -11.336 8.943
397 H LEU 60 HN LEU 60 -3.004 -4.663 9.048
398 HA LEU 60 HA LEU 60 -4.469 -4.531 6.501
399 HB2 LEU 60 HB2 LEU 60 -2.777 -2.353 7.727
400 HB3 LEU 60 HB1 LEU 60 -3.605 -2.270 6.182
401 HG LEU 60 HG LEU 60 -4.788 -2.215 8.932
402 HD11 LEU 60 HD11 LEU 60 -4.696 -0.083 8.486
403 HD12 LEU 60 HD12 LEU 60 -6.026 -0.378 7.361
404 HD13 LEU 60 HD13 LEU 60 -4.362 -0.361 6.777
405 HD21 LEU 60 HD21 LEU 60 -7.010 -2.252 7.749
406 HD22 LEU 60 HD22 LEU 60 -6.161 -3.799 7.870
407 HD23 LEU 60 HD23 LEU 60 -6.152 -2.890 6.342
408 H CYS 61 HN CYS 61 -1.205 -3.810 7.782
409 HA CYS 61 HA CYS 61 -0.122 -4.962 5.313
410 HB2 CYS 61 HB2 CYS 61 1.812 -3.642 5.604
411 HB3 CYS 61 HB1 CYS 61 0.481 -2.586 6.046
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 1.875 3.318 -5.235
2 H2 ALA 1 HT2 ALA 1 1.234 4.249 -6.530
3 H3 ALA 1 HT3 ALA 1 1.335 2.538 -6.663
4 HA ALA 1 HA ALA 1 -0.445 4.173 -5.011
5 HB1 ALA 1 HB1 ALA 1 -1.906 2.158 -6.102
6 HB2 ALA 1 HB2 ALA 1 -0.681 2.403 -7.345
7 HB3 ALA 1 HB3 ALA 1 -1.698 3.748 -6.835
8 H MET 2 HN MET 2 -1.101 3.427 -3.093
9 HA MET 2 HA MET 2 -0.285 0.719 -2.338
10 HB2 MET 2 HB2 MET 2 -0.047 1.578 -0.026
11 HB3 MET 2 HB1 MET 2 1.050 2.353 -1.162
12 HG2 MET 2 HG2 MET 2 -0.904 4.122 -1.304
13 HG3 MET 2 HG1 MET 2 -1.286 3.471 0.290
14 HE1 MET 2 HE1 MET 2 1.555 4.095 -1.907
15 HE2 MET 2 HE2 MET 2 2.890 4.385 -0.793
16 HE3 MET 2 HE3 MET 2 1.979 5.741 -1.449
17 H GLY 3 HN GLY 3 -1.896 -0.629 -1.878
18 HA2 GLY 3 HA2 GLY 3 -3.954 -1.386 -1.194
19 HA3 GLY 3 HA1 GLY 3 -4.067 0.055 -0.233
20 H LYS 4 HN LYS 4 -6.210 0.165 -0.613
21 HA LYS 4 HA LYS 4 -7.338 0.480 -3.241
22 HB2 LYS 4 HB2 LYS 4 -8.413 -0.518 -1.160
23 HB3 LYS 4 HB1 LYS 4 -8.471 1.107 -0.523
24 HG2 LYS 4 HG2 LYS 4 -10.628 0.624 -1.382
25 HG3 LYS 4 HG1 LYS 4 -9.871 1.784 -2.472
26 HD2 LYS 4 HD2 LYS 4 -10.812 0.272 -3.951
27 HD3 LYS 4 HD1 LYS 4 -9.164 -0.347 -3.802
28 HE2 LYS 4 HE2 LYS 4 -9.847 -2.061 -2.305
29 HE3 LYS 4 HE1 LYS 4 -11.439 -1.333 -2.091
30 HZ1 LYS 4 HZ1 LYS 4 -10.435 -2.471 -4.657
31 HZ2 LYS 4 HZ2 LYS 4 -11.993 -1.879 -4.355
32 HZ3 LYS 4 HZ3 LYS 4 -11.461 -3.288 -3.571
33 H CYS 5 HN CYS 5 -5.173 2.203 -2.314
34 HA CYS 5 HA CYS 5 -6.478 4.831 -2.392
35 HB2 CYS 5 HB2 CYS 5 -3.979 3.960 -0.939
36 HB3 CYS 5 HB1 CYS 5 -4.704 5.579 -0.866
37 H SER 6 HN SER 6 -6.135 5.019 -4.690
38 HA SER 6 HA SER 6 -3.534 4.756 -5.865
39 HB2 SER 6 HB2 SER 6 -5.897 6.247 -7.012
40 HB3 SER 6 HB1 SER 6 -4.547 5.526 -7.891
41 HG SER 6 HG SER 6 -5.505 3.520 -6.625
42 H VAL 7 HN VAL 7 -3.473 7.114 -7.454
43 HA VAL 7 HA VAL 7 -2.037 8.853 -5.766
44 HB VAL 7 HB VAL 7 -1.476 8.893 -8.048
45 HG11 VAL 7 HG11 VAL 7 -3.976 8.224 -8.632
46 HG12 VAL 7 HG12 VAL 7 -2.846 8.851 -9.831
47 HG13 VAL 7 HG13 VAL 7 -4.023 9.929 -9.086
48 HG21 VAL 7 HG21 VAL 7 -1.477 11.118 -6.911
49 HG22 VAL 7 HG22 VAL 7 -3.024 11.443 -7.690
50 HG23 VAL 7 HG23 VAL 7 -1.579 11.193 -8.667
51 H LEU 8 HN LEU 8 -5.095 9.335 -7.416
52 HA LEU 8 HA LEU 8 -5.885 11.700 -6.088
53 HB2 LEU 8 HB2 LEU 8 -7.037 11.436 -8.042
54 HB3 LEU 8 HB1 LEU 8 -7.068 9.687 -7.912
55 HG LEU 8 HG LEU 8 -8.867 9.997 -6.133
56 HD11 LEU 8 HD11 LEU 8 -10.045 12.330 -6.890
57 HD12 LEU 8 HD12 LEU 8 -8.336 12.771 -6.867
58 HD13 LEU 8 HD13 LEU 8 -9.091 12.093 -5.424
59 HD21 LEU 8 HD21 LEU 8 -10.376 9.589 -7.736
60 HD22 LEU 8 HD22 LEU 8 -8.994 9.659 -8.824
61 HD23 LEU 8 HD23 LEU 8 -10.011 11.081 -8.606
62 H LYS 9 HN LYS 9 -6.507 8.285 -5.469
63 HA LYS 9 HA LYS 9 -8.374 8.671 -3.371
64 HB2 LYS 9 HB2 LYS 9 -6.613 6.257 -3.726
65 HB3 LYS 9 HB1 LYS 9 -8.245 6.332 -3.087
66 HG2 LYS 9 HG2 LYS 9 -7.769 7.147 -5.910
67 HG3 LYS 9 HG1 LYS 9 -7.796 5.432 -5.506
68 HD2 LYS 9 HD2 LYS 9 -10.013 7.193 -4.552
69 HD3 LYS 9 HD1 LYS 9 -9.984 6.673 -6.241
70 HE2 LYS 9 HE2 LYS 9 -9.743 4.314 -5.397
71 HE3 LYS 9 HE1 LYS 9 -10.054 4.945 -3.779
72 HZ1 LYS 9 HZ1 LYS 9 -11.882 4.656 -6.047
73 HZ2 LYS 9 HZ2 LYS 9 -12.131 5.962 -4.994
74 HZ3 LYS 9 HZ3 LYS 9 -12.154 4.377 -4.398
75 H LYS 10 HN LYS 10 -4.946 8.923 -3.556
76 HA LYS 10 HA LYS 10 -4.428 8.381 -0.770
77 HB2 LYS 10 HB2 LYS 10 -2.682 8.027 -2.506
78 HB3 LYS 10 HB1 LYS 10 -2.673 9.755 -2.824
79 HG2 LYS 10 HG2 LYS 10 -1.754 10.236 -0.694
80 HG3 LYS 10 HG1 LYS 10 -2.008 8.583 -0.132
81 HD2 LYS 10 HD2 LYS 10 -0.342 7.749 -1.654
82 HD3 LYS 10 HD1 LYS 10 -0.199 9.333 -2.423
83 HE2 LYS 10 HE2 LYS 10 1.647 8.819 -0.839
84 HE3 LYS 10 HE1 LYS 10 0.747 10.283 -0.447
85 HZ1 LYS 10 HZ1 LYS 10 1.291 8.788 1.477
86 HZ2 LYS 10 HZ2 LYS 10 0.200 7.664 0.834
87 HZ3 LYS 10 HZ3 LYS 10 -0.354 9.187 1.319
88 H VAL 11 HN VAL 11 -5.629 10.957 -2.582
89 HA VAL 11 HA VAL 11 -4.818 13.017 -0.708
90 HB VAL 11 HB VAL 11 -5.524 13.007 -3.386
91 HG11 VAL 11 HG11 VAL 11 -7.451 14.566 -3.530
92 HG12 VAL 11 HG12 VAL 11 -7.778 14.235 -1.829
93 HG13 VAL 11 HG13 VAL 11 -7.863 12.931 -3.014
94 HG21 VAL 11 HG21 VAL 11 -5.122 15.167 -1.372
95 HG22 VAL 11 HG22 VAL 11 -5.492 15.566 -3.052
96 HG23 VAL 11 HG23 VAL 11 -4.049 14.624 -2.661
97 H ALA 12 HN ALA 12 -7.379 10.866 -1.395
98 HA ALA 12 HA ALA 12 -9.352 12.170 0.246
99 HB1 ALA 12 HB1 ALA 12 -10.461 9.786 -0.177
100 HB2 ALA 12 HB2 ALA 12 -9.284 9.777 -1.491
101 HB3 ALA 12 HB3 ALA 12 -10.476 11.075 -1.383
102 H CYS 13 HN CYS 13 -7.004 9.559 0.708
103 HA CYS 13 HA CYS 13 -8.248 8.483 3.033
104 HB2 CYS 13 HB2 CYS 13 -5.901 7.658 3.614
105 HB3 CYS 13 HB1 CYS 13 -6.610 7.054 2.099
106 H ALA 14 HN ALA 14 -6.129 11.171 2.460
107 HA ALA 14 HA ALA 14 -5.242 11.511 5.106
108 HB1 ALA 14 HB1 ALA 14 -4.579 13.748 4.397
109 HB2 ALA 14 HB2 ALA 14 -5.571 13.595 2.944
110 HB3 ALA 14 HB3 ALA 14 -4.160 12.557 3.165
111 H ALA 15 HN ALA 15 -8.196 12.230 3.534
112 HA ALA 15 HA ALA 15 -9.099 13.894 5.749
113 HB1 ALA 15 HB1 ALA 15 -10.557 14.869 4.332
114 HB2 ALA 15 HB2 ALA 15 -10.983 13.338 3.563
115 HB3 ALA 15 HB3 ALA 15 -9.511 14.188 3.081
116 H ALA 16 HN ALA 16 -9.649 10.844 4.108
117 HA ALA 16 HA ALA 16 -11.988 10.042 5.466
118 HB1 ALA 16 HB1 ALA 16 -11.357 7.761 4.723
119 HB2 ALA 16 HB2 ALA 16 -9.838 8.424 4.129
120 HB3 ALA 16 HB3 ALA 16 -11.365 8.958 3.429
121 H ILE 17 HN ILE 17 -8.583 9.060 6.037
122 HA ILE 17 HA ILE 17 -9.333 7.743 8.424
123 HB ILE 17 HB ILE 17 -7.341 7.110 6.978
124 HG12 ILE 17 HG12 ILE 17 -7.931 6.394 9.360
125 HG13 ILE 17 HG11 ILE 17 -6.285 6.120 8.798
126 HG21 ILE 17 HG21 ILE 17 -5.317 8.320 8.439
127 HG22 ILE 17 HG22 ILE 17 -6.355 9.652 7.851
128 HG23 ILE 17 HG23 ILE 17 -5.662 8.501 6.684
129 HD11 ILE 17 HD11 ILE 17 -5.909 7.014 10.854
130 HD12 ILE 17 HD12 ILE 17 -7.301 8.091 10.751
131 HD13 ILE 17 HD13 ILE 17 -5.844 8.451 9.827
132 H ALA 18 HN ALA 18 -8.127 10.937 7.679
133 HA ALA 18 HA ALA 18 -7.363 11.819 10.205
134 HB1 ALA 18 HB1 ALA 18 -7.701 13.045 7.776
135 HB2 ALA 18 HB2 ALA 18 -7.267 13.859 9.282
136 HB3 ALA 18 HB3 ALA 18 -8.954 13.800 8.763
137 H GLY 19 HN GLY 19 -10.597 11.465 8.823
138 HA2 GLY 19 HA2 GLY 19 -11.972 12.678 11.008
139 HA3 GLY 19 HA1 GLY 19 -12.691 11.630 9.790
140 H ALA 20 HN ALA 20 -10.653 9.515 10.426
141 HA ALA 20 HA ALA 20 -12.148 8.249 12.528
142 HB1 ALA 20 HB1 ALA 20 -9.827 7.325 10.859
143 HB2 ALA 20 HB2 ALA 20 -11.527 6.871 10.691
144 HB3 ALA 20 HB3 ALA 20 -10.605 6.338 12.099
145 H VAL 21 HN VAL 21 -8.873 9.568 12.124
146 HA VAL 21 HA VAL 21 -8.002 8.650 14.679
147 HB VAL 21 HB VAL 21 -6.196 10.187 14.589
148 HG11 VAL 21 HG11 VAL 21 -6.349 8.121 12.992
149 HG12 VAL 21 HG12 VAL 21 -4.997 9.262 12.884
150 HG13 VAL 21 HG13 VAL 21 -6.341 9.373 11.743
151 HG21 VAL 21 HG21 VAL 21 -6.208 11.552 12.222
152 HG22 VAL 21 HG22 VAL 21 -6.508 12.218 13.837
153 HG23 VAL 21 HG23 VAL 21 -7.865 11.727 12.811
154 H ALA 22 HN ALA 22 -9.492 11.499 13.435
155 HA ALA 22 HA ALA 22 -9.528 13.153 15.680
156 HB1 ALA 22 HB1 ALA 22 -11.126 12.915 13.194
157 HB2 ALA 22 HB2 ALA 22 -10.240 14.293 13.843
158 HB3 ALA 22 HB3 ALA 22 -11.815 13.867 14.507
159 H ALA 23 HN ALA 23 -11.379 10.313 14.880
160 HA ALA 23 HA ALA 23 -13.544 10.696 16.660
161 HB1 ALA 23 HB1 ALA 23 -13.024 8.881 14.745
162 HB2 ALA 23 HB2 ALA 23 -14.212 8.618 16.029
163 HB3 ALA 23 HB3 ALA 23 -12.591 7.935 16.174
164 H CYS 24 HN CYS 24 -10.258 9.642 17.036
165 HA CYS 24 HA CYS 24 -10.742 8.963 19.855
166 HB2 CYS 24 HB2 CYS 24 -9.130 7.789 17.827
167 HB3 CYS 24 HB1 CYS 24 -8.044 8.421 19.056
168 H GLY 25 HN GLY 25 -8.392 10.749 17.818
169 HA2 GLY 25 HA2 GLY 25 -8.385 13.144 19.106
170 HA3 GLY 25 HA1 GLY 25 -7.303 12.156 20.076
171 H GLY 26 HN GLY 26 -6.137 10.623 18.086
172 HA2 GLY 26 HA2 GLY 26 -5.029 12.334 16.039
173 HA3 GLY 26 HA1 GLY 26 -3.897 11.902 17.322
174 H ILE 27 HN ILE 27 -2.624 10.674 15.778
175 HA ILE 27 HA ILE 27 -3.797 8.525 14.301
176 HB ILE 27 HB ILE 27 -0.910 9.186 14.918
177 HG12 ILE 27 HG12 ILE 27 -2.260 10.599 13.329
178 HG13 ILE 27 HG11 ILE 27 -0.849 9.833 12.597
179 HG21 ILE 27 HG21 ILE 27 -1.992 6.925 13.218
180 HG22 ILE 27 HG22 ILE 27 -0.993 6.766 14.667
181 HG23 ILE 27 HG23 ILE 27 -0.320 7.484 13.203
182 HD11 ILE 27 HD11 ILE 27 -2.149 8.898 11.058
183 HD12 ILE 27 HD12 ILE 27 -3.565 9.659 11.788
184 HD13 ILE 27 HD13 ILE 27 -3.054 8.050 12.324
185 H ASP 28 HN ASP 28 -5.021 7.712 16.150
186 HA ASP 28 HA ASP 28 -3.563 5.894 17.915
187 HB2 ASP 28 HB2 ASP 28 -6.486 6.724 17.736
188 HB3 ASP 28 HB1 ASP 28 -5.902 5.466 18.806
189 H LEU 29 HN LEU 29 -2.845 4.776 16.063
190 HA LEU 29 HA LEU 29 -4.262 3.974 13.948
191 HB2 LEU 29 HB2 LEU 29 -2.000 3.978 13.852
192 HB3 LEU 29 HB1 LEU 29 -1.781 3.050 15.330
193 HG LEU 29 HG LEU 29 -2.635 1.914 12.659
194 HD11 LEU 29 HD11 LEU 29 -0.476 2.215 12.102
195 HD12 LEU 29 HD12 LEU 29 -0.092 1.006 13.321
196 HD13 LEU 29 HD13 LEU 29 -0.041 2.718 13.735
197 HD21 LEU 29 HD21 LEU 29 -3.161 0.709 14.866
198 HD22 LEU 29 HD22 LEU 29 -1.418 0.440 14.947
199 HD23 LEU 29 HD23 LEU 29 -2.346 -0.179 13.580
200 HA PRO 30 HA PRO 30 -5.762 -0.118 16.116
201 HB2 PRO 30 HB2 PRO 30 -6.257 0.081 18.781
202 HB3 PRO 30 HB1 PRO 30 -4.741 -0.548 18.131
203 HG2 PRO 30 HG2 PRO 30 -5.352 2.168 19.222
204 HG3 PRO 30 HG1 PRO 30 -3.905 1.166 19.445
205 HD2 PRO 30 HD2 PRO 30 -4.011 3.249 17.697
206 HD3 PRO 30 HD1 PRO 30 -2.990 1.821 17.447
207 H CYS 31 HN CYS 31 -6.569 3.107 17.052
208 HA CYS 31 HA CYS 31 -9.350 2.543 17.604
209 HB2 CYS 31 HB2 CYS 31 -7.926 4.161 18.887
210 HB3 CYS 31 HB1 CYS 31 -7.930 5.190 17.473
211 H VAL 32 HN VAL 32 -7.523 4.572 15.307
212 HA VAL 32 HA VAL 32 -9.783 5.599 14.011
213 HB VAL 32 HB VAL 32 -8.379 6.711 12.628
214 HG11 VAL 32 HG11 VAL 32 -6.417 5.564 14.567
215 HG12 VAL 32 HG12 VAL 32 -7.419 7.008 14.786
216 HG13 VAL 32 HG13 VAL 32 -6.148 6.983 13.553
217 HG21 VAL 32 HG21 VAL 32 -6.376 5.767 11.554
218 HG22 VAL 32 HG22 VAL 32 -7.913 5.028 11.066
219 HG23 VAL 32 HG23 VAL 32 -6.839 4.183 12.207
220 H LEU 33 HN LEU 33 -8.243 2.480 13.569
221 HA LEU 33 HA LEU 33 -9.376 1.993 11.014
222 HB2 LEU 33 HB2 LEU 33 -7.483 0.782 12.525
223 HB3 LEU 33 HB1 LEU 33 -8.823 -0.341 12.686
224 HG LEU 33 HG LEU 33 -8.905 0.001 10.042
225 HD11 LEU 33 HD11 LEU 33 -6.908 0.501 9.030
226 HD12 LEU 33 HD12 LEU 33 -5.944 0.038 10.447
227 HD13 LEU 33 HD13 LEU 33 -6.835 1.570 10.432
228 HD21 LEU 33 HD21 LEU 33 -6.810 -1.870 10.607
229 HD22 LEU 33 HD22 LEU 33 -8.483 -2.164 10.133
230 HD23 LEU 33 HD23 LEU 33 -8.071 -1.955 11.837
231 H ALA 34 HN ALA 34 -11.087 2.637 13.576
232 HA ALA 34 HA ALA 34 -12.985 0.416 13.398
233 HB1 ALA 34 HB1 ALA 34 -12.510 2.639 15.317
234 HB2 ALA 34 HB2 ALA 34 -12.919 0.948 15.624
235 HB3 ALA 34 HB3 ALA 34 -14.174 2.085 15.121
236 H ALA 35 HN ALA 35 -12.748 3.895 12.956
237 HA ALA 35 HA ALA 35 -15.322 4.021 11.600
238 HB1 ALA 35 HB1 ALA 35 -15.114 5.890 12.922
239 HB2 ALA 35 HB2 ALA 35 -14.501 6.503 11.383
240 HB3 ALA 35 HB3 ALA 35 -13.371 6.013 12.646
241 H LEU 36 HN LEU 36 -11.872 4.397 10.996
242 HA LEU 36 HA LEU 36 -12.081 5.217 8.298
243 HB2 LEU 36 HB2 LEU 36 -9.987 5.610 9.384
244 HB3 LEU 36 HB1 LEU 36 -9.841 3.916 9.842
245 HG LEU 36 HG LEU 36 -9.816 3.400 7.342
246 HD11 LEU 36 HD11 LEU 36 -9.633 6.358 7.350
247 HD12 LEU 36 HD12 LEU 36 -10.558 5.256 6.297
248 HD13 LEU 36 HD13 LEU 36 -8.811 5.408 6.100
249 HD21 LEU 36 HD21 LEU 36 -7.614 3.280 7.382
250 HD22 LEU 36 HD22 LEU 36 -7.789 3.813 9.074
251 HD23 LEU 36 HD23 LEU 36 -7.421 4.992 7.798
252 H LYS 37 HN LYS 37 -12.316 2.142 9.860
253 HA LYS 37 HA LYS 37 -11.366 0.576 7.792
254 HB2 LYS 37 HB2 LYS 37 -12.015 -0.227 10.127
255 HB3 LYS 37 HB1 LYS 37 -13.684 -0.259 9.564
256 HG2 LYS 37 HG2 LYS 37 -12.566 -2.469 9.476
257 HG3 LYS 37 HG1 LYS 37 -13.164 -1.922 7.906
258 HD2 LYS 37 HD2 LYS 37 -10.735 -0.940 7.688
259 HD3 LYS 37 HD1 LYS 37 -10.358 -2.165 8.899
260 HE2 LYS 37 HE2 LYS 37 -11.657 -2.660 6.219
261 HE3 LYS 37 HE1 LYS 37 -9.971 -2.979 6.618
262 HZ1 LYS 37 HZ1 LYS 37 -12.316 -4.288 7.901
263 HZ2 LYS 37 HZ2 LYS 37 -10.682 -4.618 8.228
264 HZ3 LYS 37 HZ3 LYS 37 -11.333 -4.975 6.697
265 H ALA 38 HN ALA 38 -14.341 2.296 8.046
266 HA ALA 38 HA ALA 38 -15.622 0.895 5.862
267 HB1 ALA 38 HB1 ALA 38 -16.689 2.219 7.891
268 HB2 ALA 38 HB2 ALA 38 -17.491 2.125 6.321
269 HB3 ALA 38 HB3 ALA 38 -16.573 3.567 6.758
270 H ALA 39 HN ALA 39 -12.981 2.107 5.420
271 HA ALA 39 HA ALA 39 -13.558 4.254 3.517
272 HB1 ALA 39 HB1 ALA 39 -10.882 4.056 3.413
273 HB2 ALA 39 HB2 ALA 39 -11.139 3.386 5.028
274 HB3 ALA 39 HB3 ALA 39 -11.712 5.014 4.637
275 H GLU 40 HN GLU 40 -14.045 1.297 3.250
276 HA GLU 40 HA GLU 40 -13.994 -0.327 1.663
277 HB2 GLU 40 HB2 GLU 40 -14.656 1.617 0.210
278 HB3 GLU 40 HB1 GLU 40 -12.961 1.827 -0.196
279 HG2 GLU 40 HG2 GLU 40 -12.902 -0.364 -1.218
280 HG3 GLU 40 HG1 GLU 40 -14.574 -0.654 -0.745
281 H GLY 41 HN GLY 41 -11.534 0.659 3.202
282 HA2 GLY 41 HA2 GLY 41 -9.593 -0.631 3.562
283 HA3 GLY 41 HA1 GLY 41 -9.679 -1.172 1.893
284 H CYS 42 HN CYS 42 -9.675 2.173 3.255
285 HA CYS 42 HA CYS 42 -7.313 2.609 1.545
286 HB2 CYS 42 HB2 CYS 42 -9.559 4.144 1.474
287 HB3 CYS 42 HB1 CYS 42 -8.628 4.993 2.694
288 H ALA 43 HN ALA 43 -7.748 1.441 4.174
289 HA ALA 43 HA ALA 43 -6.557 3.141 6.120
290 HB1 ALA 43 HB1 ALA 43 -8.121 1.183 6.498
291 HB2 ALA 43 HB2 ALA 43 -6.681 1.241 7.529
292 HB3 ALA 43 HB3 ALA 43 -6.736 0.138 6.152
293 H SER 44 HN SER 44 -5.570 1.129 3.571
294 HA SER 44 HA SER 44 -2.934 0.453 4.263
295 HB2 SER 44 HB2 SER 44 -4.170 -0.597 2.395
296 HB3 SER 44 HB1 SER 44 -4.205 0.939 1.531
297 HG SER 44 HG SER 44 -1.683 0.546 2.066
298 H CYS 45 HN CYS 45 -4.449 3.370 3.467
299 HA CYS 45 HA CYS 45 -2.132 4.835 2.511
300 HB2 CYS 45 HB2 CYS 45 -4.906 5.155 2.402
301 HB3 CYS 45 HB1 CYS 45 -4.385 6.382 3.548
302 H PHE 46 HN PHE 46 -4.114 4.498 5.344
303 HA PHE 46 HA PHE 46 -2.917 6.450 6.984
304 HB2 PHE 46 HB2 PHE 46 -5.056 5.885 7.614
305 HB3 PHE 46 HB1 PHE 46 -4.834 4.184 7.257
306 HD1 PHE 46 HD1 PHE 46 -4.152 6.802 9.874
307 HD2 PHE 46 HD2 PHE 46 -4.365 2.666 8.914
308 HE1 PHE 46 HE1 PHE 46 -4.073 6.293 12.146
309 HE2 PHE 46 HE2 PHE 46 -4.295 2.141 11.276
310 HZ PHE 46 HZ PHE 46 -4.172 3.931 12.916
311 H CYS 47 HN CYS 47 -2.804 2.895 7.415
312 HA CYS 47 HA CYS 47 -0.448 3.184 9.045
313 HB2 CYS 47 HB2 CYS 47 -2.350 1.545 9.420
314 HB3 CYS 47 HB1 CYS 47 -1.657 0.595 8.111
315 H GLU 48 HN GLU 48 0.039 3.956 6.258
316 HA GLU 48 HA GLU 48 1.690 1.767 5.272
317 HB2 GLU 48 HB2 GLU 48 1.982 3.069 3.267
318 HB3 GLU 48 HB1 GLU 48 0.284 3.101 3.710
319 HG2 GLU 48 HG2 GLU 48 0.571 5.270 3.142
320 HG3 GLU 48 HG1 GLU 48 0.956 5.363 4.857
321 H ASP 49 HN ASP 49 1.907 4.844 6.836
322 HA ASP 49 HA ASP 49 4.800 5.007 6.640
323 HB2 ASP 49 HB2 ASP 49 3.323 7.029 6.539
324 HB3 ASP 49 HB1 ASP 49 2.855 6.724 8.207
325 H HIS 50 HN HIS 50 2.295 4.392 9.033
326 HA HIS 50 HA HIS 50 4.376 3.550 10.920
327 HB2 HIS 50 HB2 HIS 50 2.443 3.821 12.631
328 HB3 HIS 50 HB1 HIS 50 3.254 5.257 12.022
329 HD1 HIS 50 HD1 HIS 50 0.071 3.264 11.331
330 HD2 HIS 50 HD2 HIS 50 1.567 7.131 11.049
331 HE1 HIS 50 HE1 HIS 50 -1.861 4.689 10.594
332 HE2 HIS 50 HE2 HIS 50 -0.856 6.966 10.175
333 H CYS 51 HN CYS 51 3.940 1.670 9.140
334 HA CYS 51 HA CYS 51 1.821 -0.136 9.857
335 HB2 CYS 51 HB2 CYS 51 2.548 -0.279 7.589
336 HB3 CYS 51 HB1 CYS 51 4.237 -0.433 8.064
337 H HIS 52 HN HIS 52 2.202 -0.319 12.121
338 HA HIS 52 HA HIS 52 3.786 -2.568 12.847
339 HB2 HIS 52 HB2 HIS 52 5.275 -1.372 14.439
340 HB3 HIS 52 HB1 HIS 52 5.587 -0.939 12.763
341 HD1 HIS 52 HD1 HIS 52 5.715 1.483 12.280
342 HD2 HIS 52 HD2 HIS 52 3.538 0.712 15.743
343 HE1 HIS 52 HE1 HIS 52 5.162 3.735 13.262
344 HE2 HIS 52 HE2 HIS 52 3.985 3.240 15.440
345 H GLY 53 HN GLY 53 4.019 -2.328 15.485
346 HA2 GLY 53 HA2 GLY 53 2.894 -2.419 17.470
347 HA3 GLY 53 HA1 GLY 53 1.999 -1.022 16.898
348 H VAL 54 HN VAL 54 -0.120 -1.248 16.627
349 HA VAL 54 HA VAL 54 -1.221 -3.911 16.874
350 HB VAL 54 HB VAL 54 -1.881 -1.727 18.183
351 HG11 VAL 54 HG11 VAL 54 -3.971 -0.780 17.088
352 HG12 VAL 54 HG12 VAL 54 -3.371 -1.516 15.589
353 HG13 VAL 54 HG13 VAL 54 -2.406 -0.268 16.430
354 HG21 VAL 54 HG21 VAL 54 -3.860 -3.740 17.149
355 HG22 VAL 54 HG22 VAL 54 -4.190 -2.599 18.449
356 HG23 VAL 54 HG23 VAL 54 -2.931 -3.814 18.644
357 H CYS 55 HN CYS 55 -0.173 -2.190 14.333
358 HA CYS 55 HA CYS 55 -2.371 -2.100 12.520
359 HB2 CYS 55 HB2 CYS 55 0.073 -1.145 12.298
360 HB3 CYS 55 HB1 CYS 55 0.435 -2.722 11.601
361 H LYS 56 HN LYS 56 -0.528 -4.611 13.882
362 HA LYS 56 HA LYS 56 -0.963 -6.649 11.913
363 HB2 LYS 56 HB2 LYS 56 0.790 -6.466 13.885
364 HB3 LYS 56 HB1 LYS 56 -0.498 -7.204 14.825
365 HG2 LYS 56 HG2 LYS 56 -0.520 -8.977 12.929
366 HG3 LYS 56 HG1 LYS 56 1.079 -8.338 12.555
367 HD2 LYS 56 HD2 LYS 56 0.147 -9.648 15.101
368 HD3 LYS 56 HD1 LYS 56 1.430 -10.169 14.009
369 HE2 LYS 56 HE2 LYS 56 1.461 -7.730 15.793
370 HE3 LYS 56 HE1 LYS 56 2.387 -9.211 16.020
371 HZ1 LYS 56 HZ1 LYS 56 3.953 -8.506 14.620
372 HZ2 LYS 56 HZ2 LYS 56 3.215 -6.969 14.672
373 HZ3 LYS 56 HZ3 LYS 56 2.821 -8.059 13.445
374 H ASP 57 HN ASP 57 -2.400 -5.641 14.978
375 HA ASP 57 HA ASP 57 -4.500 -7.581 15.065
376 HB2 ASP 57 HB2 ASP 57 -3.572 -6.091 16.992
377 HB3 ASP 57 HB1 ASP 57 -4.611 -4.846 16.324
378 H LEU 58 HN LEU 58 -4.027 -4.394 13.804
379 HA LEU 58 HA LEU 58 -6.532 -3.482 13.192
380 HB2 LEU 58 HB2 LEU 58 -3.780 -3.005 12.604
381 HB3 LEU 58 HB1 LEU 58 -4.663 -2.863 11.146
382 HG LEU 58 HG LEU 58 -6.079 -1.079 12.212
383 HD11 LEU 58 HD11 LEU 58 -5.038 -0.124 14.298
384 HD12 LEU 58 HD12 LEU 58 -4.178 -1.662 14.465
385 HD13 LEU 58 HD13 LEU 58 -5.951 -1.625 14.486
386 HD21 LEU 58 HD21 LEU 58 -4.389 -0.257 10.858
387 HD22 LEU 58 HD22 LEU 58 -3.116 -0.827 11.937
388 HD23 LEU 58 HD23 LEU 58 -4.117 0.545 12.406
389 H HIS 59 HN HIS 59 -4.274 -5.117 10.924
390 HA HIS 59 HA HIS 59 -4.665 -6.951 9.545
391 HB2 HIS 59 HB2 HIS 59 -7.506 -6.515 10.347
392 HB3 HIS 59 HB1 HIS 59 -7.214 -7.269 8.784
393 HD1 HIS 59 HD1 HIS 59 -5.671 -7.794 12.239
394 HD2 HIS 59 HD2 HIS 59 -7.405 -9.940 9.126
395 HE1 HIS 59 HE1 HIS 59 -5.559 -10.209 12.938
396 HE2 HIS 59 HE2 HIS 59 -6.528 -11.501 10.998
397 H LEU 60 HN LEU 60 -3.702 -4.914 8.891
398 HA LEU 60 HA LEU 60 -4.866 -4.064 6.367
399 HB2 LEU 60 HB2 LEU 60 -5.550 -2.467 7.977
400 HB3 LEU 60 HB1 LEU 60 -4.015 -2.515 8.801
401 HG LEU 60 HG LEU 60 -4.543 -1.159 6.155
402 HD11 LEU 60 HD11 LEU 60 -4.127 -0.211 8.982
403 HD12 LEU 60 HD12 LEU 60 -5.603 -0.063 8.026
404 HD13 LEU 60 HD13 LEU 60 -4.160 0.844 7.565
405 HD21 LEU 60 HD21 LEU 60 -2.342 -1.382 5.959
406 HD22 LEU 60 HD22 LEU 60 -2.173 -1.920 7.652
407 HD23 LEU 60 HD23 LEU 60 -2.260 -0.187 7.257
408 H CYS 61 HN CYS 61 -2.082 -3.940 8.580
409 HA CYS 61 HA CYS 61 -0.291 -4.812 6.470
410 HB2 CYS 61 HB2 CYS 61 -0.282 -2.319 6.333
411 HB3 CYS 61 HB1 CYS 61 0.232 -2.247 8.011
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 -1.338 0.928 -6.281
2 H2 ALA 1 HT2 ALA 1 -0.584 1.103 -7.817
3 H3 ALA 1 HT3 ALA 1 -0.071 2.068 -6.493
4 HA ALA 1 HA ALA 1 0.150 -0.859 -6.709
5 HB1 ALA 1 HB1 ALA 1 2.278 -0.649 -7.417
6 HB2 ALA 1 HB2 ALA 1 2.565 0.822 -6.488
7 HB3 ALA 1 HB3 ALA 1 1.709 0.906 -8.030
8 H MET 2 HN MET 2 0.598 2.074 -4.782
9 HA MET 2 HA MET 2 1.350 0.392 -2.514
10 HB2 MET 2 HB2 MET 2 2.082 2.554 -1.449
11 HB3 MET 2 HB1 MET 2 3.000 2.068 -2.869
12 HG2 MET 2 HG2 MET 2 1.693 3.640 -4.230
13 HG3 MET 2 HG1 MET 2 0.822 4.144 -2.784
14 HE1 MET 2 HE1 MET 2 2.705 5.925 -0.652
15 HE2 MET 2 HE2 MET 2 4.061 4.800 -0.664
16 HE3 MET 2 HE3 MET 2 2.406 4.188 -0.662
17 H GLY 3 HN GLY 3 -0.489 -0.291 -1.575
18 HA2 GLY 3 HA2 GLY 3 -2.247 -0.035 -0.056
19 HA3 GLY 3 HA1 GLY 3 -2.131 1.698 -0.262
20 H LYS 4 HN LYS 4 -4.583 0.483 -0.138
21 HA LYS 4 HA LYS 4 -5.625 0.055 -2.797
22 HB2 LYS 4 HB2 LYS 4 -6.444 -1.001 -0.575
23 HB3 LYS 4 HB1 LYS 4 -7.232 0.560 -0.289
24 HG2 LYS 4 HG2 LYS 4 -8.759 -1.120 -1.238
25 HG3 LYS 4 HG1 LYS 4 -8.561 0.277 -2.297
26 HD2 LYS 4 HD2 LYS 4 -6.995 -0.966 -3.685
27 HD3 LYS 4 HD1 LYS 4 -7.102 -2.348 -2.594
28 HE2 LYS 4 HE2 LYS 4 -9.400 -1.193 -4.183
29 HE3 LYS 4 HE1 LYS 4 -8.480 -2.632 -4.624
30 HZ1 LYS 4 HZ1 LYS 4 -9.873 -2.416 -2.023
31 HZ2 LYS 4 HZ2 LYS 4 -9.317 -3.805 -2.808
32 HZ3 LYS 4 HZ3 LYS 4 -10.666 -2.980 -3.413
33 H CYS 5 HN CYS 5 -4.278 2.493 -2.181
34 HA CYS 5 HA CYS 5 -6.419 4.444 -2.623
35 HB2 CYS 5 HB2 CYS 5 -3.887 4.778 -1.000
36 HB3 CYS 5 HB1 CYS 5 -5.166 5.981 -1.173
37 H SER 6 HN SER 6 -6.197 5.040 -4.696
38 HA SER 6 HA SER 6 -3.713 4.989 -6.104
39 HB2 SER 6 HB2 SER 6 -5.068 5.954 -7.967
40 HB3 SER 6 HB1 SER 6 -5.757 4.477 -7.292
41 HG SER 6 HG SER 6 -7.431 5.894 -7.434
42 H VAL 7 HN VAL 7 -3.892 7.279 -7.686
43 HA VAL 7 HA VAL 7 -2.392 9.130 -6.263
44 HB VAL 7 HB VAL 7 -2.274 9.186 -8.612
45 HG11 VAL 7 HG11 VAL 7 -4.837 8.444 -8.695
46 HG12 VAL 7 HG12 VAL 7 -3.952 9.051 -10.095
47 HG13 VAL 7 HG13 VAL 7 -4.998 10.136 -9.176
48 HG21 VAL 7 HG21 VAL 7 -3.799 11.665 -7.859
49 HG22 VAL 7 HG22 VAL 7 -2.662 11.498 -9.193
50 HG23 VAL 7 HG23 VAL 7 -2.086 11.396 -7.527
51 H LEU 8 HN LEU 8 -5.742 9.486 -7.313
52 HA LEU 8 HA LEU 8 -6.212 11.798 -5.714
53 HB2 LEU 8 HB2 LEU 8 -8.552 11.542 -6.391
54 HB3 LEU 8 HB1 LEU 8 -7.454 11.414 -7.754
55 HG LEU 8 HG LEU 8 -8.011 8.794 -6.675
56 HD11 LEU 8 HD11 LEU 8 -10.163 9.026 -6.123
57 HD12 LEU 8 HD12 LEU 8 -10.459 9.226 -7.851
58 HD13 LEU 8 HD13 LEU 8 -10.251 10.642 -6.822
59 HD21 LEU 8 HD21 LEU 8 -7.566 8.420 -8.815
60 HD22 LEU 8 HD22 LEU 8 -7.681 10.144 -9.179
61 HD23 LEU 8 HD23 LEU 8 -9.124 9.134 -9.231
62 H LYS 9 HN LYS 9 -6.595 8.356 -5.134
63 HA LYS 9 HA LYS 9 -8.258 8.756 -2.834
64 HB2 LYS 9 HB2 LYS 9 -6.784 6.330 -3.854
65 HB3 LYS 9 HB1 LYS 9 -7.855 6.326 -2.468
66 HG2 LYS 9 HG2 LYS 9 -9.651 7.208 -4.020
67 HG3 LYS 9 HG1 LYS 9 -8.550 6.810 -5.340
68 HD2 LYS 9 HD2 LYS 9 -8.519 4.469 -4.614
69 HD3 LYS 9 HD1 LYS 9 -9.611 4.866 -3.281
70 HE2 LYS 9 HE2 LYS 9 -11.222 5.727 -5.026
71 HE3 LYS 9 HE1 LYS 9 -10.178 4.968 -6.235
72 HZ1 LYS 9 HZ1 LYS 9 -10.513 2.889 -4.728
73 HZ2 LYS 9 HZ2 LYS 9 -11.713 3.333 -5.833
74 HZ3 LYS 9 HZ3 LYS 9 -11.891 3.718 -4.191
75 H LYS 10 HN LYS 10 -4.972 9.080 -3.474
76 HA LYS 10 HA LYS 10 -3.995 8.365 -0.840
77 HB2 LYS 10 HB2 LYS 10 -2.788 8.622 -3.288
78 HB3 LYS 10 HB1 LYS 10 -2.369 10.156 -2.540
79 HG2 LYS 10 HG2 LYS 10 -0.590 8.670 -2.089
80 HG3 LYS 10 HG1 LYS 10 -1.491 8.843 -0.581
81 HD2 LYS 10 HD2 LYS 10 -2.632 6.738 -0.991
82 HD3 LYS 10 HD1 LYS 10 -1.821 6.573 -2.545
83 HE2 LYS 10 HE2 LYS 10 -0.748 5.159 -0.897
84 HE3 LYS 10 HE1 LYS 10 0.348 6.450 -1.380
85 HZ1 LYS 10 HZ1 LYS 10 0.487 7.122 0.723
86 HZ2 LYS 10 HZ2 LYS 10 -0.431 5.775 1.184
87 HZ3 LYS 10 HZ3 LYS 10 -1.194 7.251 0.858
88 H VAL 11 HN VAL 11 -5.228 11.038 -2.558
89 HA VAL 11 HA VAL 11 -4.435 13.035 -0.616
90 HB VAL 11 HB VAL 11 -4.992 13.075 -3.308
91 HG11 VAL 11 HG11 VAL 11 -6.995 13.961 -3.852
92 HG12 VAL 11 HG12 VAL 11 -7.174 14.789 -2.307
93 HG13 VAL 11 HG13 VAL 11 -7.487 13.055 -2.419
94 HG21 VAL 11 HG21 VAL 11 -3.696 14.675 -1.847
95 HG22 VAL 11 HG22 VAL 11 -5.223 15.533 -1.623
96 HG23 VAL 11 HG23 VAL 11 -4.535 15.356 -3.239
97 H ALA 12 HN ALA 12 -7.031 10.951 -1.422
98 HA ALA 12 HA ALA 12 -8.984 12.309 0.228
99 HB1 ALA 12 HB1 ALA 12 -9.613 11.285 -1.921
100 HB2 ALA 12 HB2 ALA 12 -10.558 10.680 -0.559
101 HB3 ALA 12 HB3 ALA 12 -9.265 9.695 -1.236
102 H CYS 13 HN CYS 13 -6.798 9.549 0.632
103 HA CYS 13 HA CYS 13 -8.303 8.357 2.724
104 HB2 CYS 13 HB2 CYS 13 -5.963 7.456 3.473
105 HB3 CYS 13 HB1 CYS 13 -6.719 6.843 1.994
106 H ALA 14 HN ALA 14 -5.908 10.895 2.645
107 HA ALA 14 HA ALA 14 -5.501 11.046 5.436
108 HB1 ALA 14 HB1 ALA 14 -5.299 13.495 3.750
109 HB2 ALA 14 HB2 ALA 14 -4.220 12.145 3.397
110 HB3 ALA 14 HB3 ALA 14 -4.208 12.891 4.997
111 H ALA 15 HN ALA 15 -7.913 12.338 3.268
112 HA ALA 15 HA ALA 15 -9.073 14.104 5.225
113 HB1 ALA 15 HB1 ALA 15 -10.963 14.045 3.388
114 HB2 ALA 15 HB2 ALA 15 -9.671 13.337 2.415
115 HB3 ALA 15 HB3 ALA 15 -9.465 14.938 3.128
116 H ALA 16 HN ALA 16 -9.392 10.860 4.156
117 HA ALA 16 HA ALA 16 -11.989 10.393 5.261
118 HB1 ALA 16 HB1 ALA 16 -10.213 9.032 3.511
119 HB2 ALA 16 HB2 ALA 16 -11.915 8.710 3.828
120 HB3 ALA 16 HB3 ALA 16 -10.677 7.936 4.818
121 H ILE 17 HN ILE 17 -8.701 9.262 6.139
122 HA ILE 17 HA ILE 17 -9.718 8.114 8.530
123 HB ILE 17 HB ILE 17 -7.852 7.015 7.579
124 HG12 ILE 17 HG12 ILE 17 -8.070 7.567 10.163
125 HG13 ILE 17 HG11 ILE 17 -6.787 6.570 9.503
126 HG21 ILE 17 HG21 ILE 17 -5.605 8.492 8.137
127 HG22 ILE 17 HG22 ILE 17 -6.681 9.625 7.274
128 HG23 ILE 17 HG23 ILE 17 -6.229 8.084 6.511
129 HD11 ILE 17 HD11 ILE 17 -6.615 9.476 10.217
130 HD12 ILE 17 HD12 ILE 17 -5.330 8.572 9.415
131 HD13 ILE 17 HD13 ILE 17 -5.841 8.128 11.047
132 H ALA 18 HN ALA 18 -8.401 11.226 7.762
133 HA ALA 18 HA ALA 18 -7.575 12.127 10.257
134 HB1 ALA 18 HB1 ALA 18 -7.419 14.129 9.285
135 HB2 ALA 18 HB2 ALA 18 -9.128 14.145 8.846
136 HB3 ALA 18 HB3 ALA 18 -7.959 13.321 7.811
137 H GLY 19 HN GLY 19 -10.831 11.768 8.971
138 HA2 GLY 19 HA2 GLY 19 -12.124 13.079 11.173
139 HA3 GLY 19 HA1 GLY 19 -12.904 12.074 9.955
140 H ALA 20 HN ALA 20 -10.942 9.878 10.539
141 HA ALA 20 HA ALA 20 -12.474 8.616 12.610
142 HB1 ALA 20 HB1 ALA 20 -11.791 7.294 10.714
143 HB2 ALA 20 HB2 ALA 20 -11.042 6.668 12.182
144 HB3 ALA 20 HB3 ALA 20 -10.093 7.636 11.055
145 H VAL 21 HN VAL 21 -9.251 10.011 12.327
146 HA VAL 21 HA VAL 21 -8.403 8.971 14.864
147 HB VAL 21 HB VAL 21 -6.568 10.486 14.812
148 HG11 VAL 21 HG11 VAL 21 -5.825 8.791 13.545
149 HG12 VAL 21 HG12 VAL 21 -5.855 10.012 12.272
150 HG13 VAL 21 HG13 VAL 21 -7.196 8.873 12.438
151 HG21 VAL 21 HG21 VAL 21 -8.092 11.927 12.720
152 HG22 VAL 21 HG22 VAL 21 -6.327 11.987 12.713
153 HG23 VAL 21 HG23 VAL 21 -7.222 12.538 14.131
154 H ALA 22 HN ALA 22 -9.849 11.838 13.649
155 HA ALA 22 HA ALA 22 -9.880 13.465 15.919
156 HB1 ALA 22 HB1 ALA 22 -10.725 14.769 14.304
157 HB2 ALA 22 HB2 ALA 22 -12.267 13.943 14.542
158 HB3 ALA 22 HB3 ALA 22 -11.133 13.366 13.314
159 H ALA 23 HN ALA 23 -11.643 10.611 15.057
160 HA ALA 23 HA ALA 23 -13.830 10.932 16.854
161 HB1 ALA 23 HB1 ALA 23 -13.429 9.272 14.795
162 HB2 ALA 23 HB2 ALA 23 -14.552 8.903 16.108
163 HB3 ALA 23 HB3 ALA 23 -12.936 8.197 16.110
164 H CYS 24 HN CYS 24 -10.520 9.874 17.181
165 HA CYS 24 HA CYS 24 -11.116 9.015 19.942
166 HB2 CYS 24 HB2 CYS 24 -9.784 7.622 17.994
167 HB3 CYS 24 HB1 CYS 24 -8.461 8.348 18.903
168 H GLY 25 HN GLY 25 -8.510 10.631 18.048
169 HA2 GLY 25 HA2 GLY 25 -8.325 12.871 19.693
170 HA3 GLY 25 HA1 GLY 25 -7.239 11.665 20.356
171 H GLY 26 HN GLY 26 -6.160 10.508 18.106
172 HA2 GLY 26 HA2 GLY 26 -5.333 12.174 16.041
173 HA3 GLY 26 HA1 GLY 26 -4.226 12.457 17.376
174 H ILE 27 HN ILE 27 -5.041 10.457 14.783
175 HA ILE 27 HA ILE 27 -4.390 8.435 14.007
176 HB ILE 27 HB ILE 27 -1.716 9.603 14.820
177 HG12 ILE 27 HG12 ILE 27 -3.267 10.806 13.188
178 HG13 ILE 27 HG11 ILE 27 -1.670 10.397 12.561
179 HG21 ILE 27 HG21 ILE 27 -2.310 7.380 12.845
180 HG22 ILE 27 HG22 ILE 27 -1.601 7.129 14.447
181 HG23 ILE 27 HG23 ILE 27 -0.720 8.055 13.227
182 HD11 ILE 27 HD11 ILE 27 -4.144 9.733 11.445
183 HD12 ILE 27 HD12 ILE 27 -3.498 8.220 12.107
184 HD13 ILE 27 HD13 ILE 27 -2.550 9.165 10.945
185 H ASP 28 HN ASP 28 -5.576 7.892 16.244
186 HA ASP 28 HA ASP 28 -3.892 6.173 17.893
187 HB2 ASP 28 HB2 ASP 28 -6.898 6.662 17.911
188 HB3 ASP 28 HB1 ASP 28 -5.998 5.759 19.113
189 H LEU 29 HN LEU 29 -3.292 5.044 15.926
190 HA LEU 29 HA LEU 29 -4.794 4.180 13.999
191 HB2 LEU 29 HB2 LEU 29 -3.193 2.123 13.849
192 HB3 LEU 29 HB1 LEU 29 -2.704 3.745 13.483
193 HG LEU 29 HG LEU 29 -2.099 2.410 16.125
194 HD11 LEU 29 HD11 LEU 29 0.168 2.140 15.235
195 HD12 LEU 29 HD12 LEU 29 -0.373 2.741 13.670
196 HD13 LEU 29 HD13 LEU 29 -1.002 1.205 14.291
197 HD21 LEU 29 HD21 LEU 29 -0.214 4.363 15.515
198 HD22 LEU 29 HD22 LEU 29 -1.492 4.477 16.726
199 HD23 LEU 29 HD23 LEU 29 -1.763 5.095 15.095
200 HA PRO 30 HA PRO 30 -6.379 0.064 15.909
201 HB2 PRO 30 HB2 PRO 30 -6.658 0.634 18.765
202 HB3 PRO 30 HB1 PRO 30 -5.956 -0.776 17.975
203 HG2 PRO 30 HG2 PRO 30 -4.465 1.046 19.314
204 HG3 PRO 30 HG1 PRO 30 -3.848 0.130 17.927
205 HD2 PRO 30 HD2 PRO 30 -4.803 2.959 18.068
206 HD3 PRO 30 HD1 PRO 30 -3.462 2.266 17.133
207 H CYS 31 HN CYS 31 -7.007 3.198 17.235
208 HA CYS 31 HA CYS 31 -9.815 2.780 17.684
209 HB2 CYS 31 HB2 CYS 31 -8.121 4.314 18.935
210 HB3 CYS 31 HB1 CYS 31 -8.488 5.455 17.656
211 H VAL 32 HN VAL 32 -7.888 4.857 15.446
212 HA VAL 32 HA VAL 32 -10.171 5.855 14.084
213 HB VAL 32 HB VAL 32 -8.732 7.124 12.886
214 HG11 VAL 32 HG11 VAL 32 -6.318 7.020 13.635
215 HG12 VAL 32 HG12 VAL 32 -6.844 5.735 14.725
216 HG13 VAL 32 HG13 VAL 32 -7.557 7.350 14.854
217 HG21 VAL 32 HG21 VAL 32 -7.110 4.720 12.137
218 HG22 VAL 32 HG22 VAL 32 -7.016 6.351 11.436
219 HG23 VAL 32 HG23 VAL 32 -8.479 5.378 11.225
220 H LEU 33 HN LEU 33 -8.372 2.900 13.815
221 HA LEU 33 HA LEU 33 -9.252 2.140 11.243
222 HB2 LEU 33 HB2 LEU 33 -7.355 1.177 12.702
223 HB3 LEU 33 HB1 LEU 33 -8.615 0.204 13.438
224 HG LEU 33 HG LEU 33 -9.133 -0.364 10.886
225 HD11 LEU 33 HD11 LEU 33 -6.655 1.049 10.761
226 HD12 LEU 33 HD12 LEU 33 -7.582 0.308 9.455
227 HD13 LEU 33 HD13 LEU 33 -6.372 -0.642 10.327
228 HD21 LEU 33 HD21 LEU 33 -8.560 -2.389 11.574
229 HD22 LEU 33 HD22 LEU 33 -8.023 -1.622 13.069
230 HD23 LEU 33 HD23 LEU 33 -6.870 -1.927 11.769
231 H ALA 34 HN ALA 34 -11.097 2.686 13.923
232 HA ALA 34 HA ALA 34 -12.940 0.466 13.485
233 HB1 ALA 34 HB1 ALA 34 -14.287 1.781 15.263
234 HB2 ALA 34 HB2 ALA 34 -12.795 2.692 15.493
235 HB3 ALA 34 HB3 ALA 34 -12.813 0.949 15.763
236 H ALA 35 HN ALA 35 -12.955 4.016 13.400
237 HA ALA 35 HA ALA 35 -15.453 4.142 11.974
238 HB1 ALA 35 HB1 ALA 35 -15.398 6.372 12.376
239 HB2 ALA 35 HB2 ALA 35 -13.673 6.498 12.033
240 HB3 ALA 35 HB3 ALA 35 -14.218 5.884 13.595
241 H LEU 36 HN LEU 36 -12.012 4.532 11.210
242 HA LEU 36 HA LEU 36 -12.404 5.327 8.518
243 HB2 LEU 36 HB2 LEU 36 -10.281 5.793 9.529
244 HB3 LEU 36 HB1 LEU 36 -10.029 4.097 9.917
245 HG LEU 36 HG LEU 36 -10.133 3.649 7.428
246 HD11 LEU 36 HD11 LEU 36 -10.146 6.609 7.494
247 HD12 LEU 36 HD12 LEU 36 -11.068 5.458 6.502
248 HD13 LEU 36 HD13 LEU 36 -9.358 5.743 6.162
249 HD21 LEU 36 HD21 LEU 36 -7.822 4.610 7.036
250 HD22 LEU 36 HD22 LEU 36 -8.037 3.423 8.327
251 HD23 LEU 36 HD23 LEU 36 -7.891 5.144 8.730
252 H LYS 37 HN LYS 37 -12.553 2.271 10.097
253 HA LYS 37 HA LYS 37 -11.705 0.776 7.870
254 HB2 LYS 37 HB2 LYS 37 -12.198 0.095 10.427
255 HB3 LYS 37 HB1 LYS 37 -13.705 -0.462 9.706
256 HG2 LYS 37 HG2 LYS 37 -12.654 -2.085 8.444
257 HG3 LYS 37 HG1 LYS 37 -11.091 -1.268 8.495
258 HD2 LYS 37 HD2 LYS 37 -10.999 -3.229 9.884
259 HD3 LYS 37 HD1 LYS 37 -10.942 -1.790 10.909
260 HE2 LYS 37 HE2 LYS 37 -12.418 -3.450 11.880
261 HE3 LYS 37 HE1 LYS 37 -13.342 -2.034 11.372
262 HZ1 LYS 37 HZ1 LYS 37 -13.488 -3.596 9.189
263 HZ2 LYS 37 HZ2 LYS 37 -14.658 -3.570 10.411
264 HZ3 LYS 37 HZ3 LYS 37 -13.456 -4.772 10.407
265 H ALA 38 HN ALA 38 -14.501 2.543 8.461
266 HA ALA 38 HA ALA 38 -16.294 1.045 6.767
267 HB1 ALA 38 HB1 ALA 38 -17.787 2.964 7.049
268 HB2 ALA 38 HB2 ALA 38 -16.494 3.851 7.858
269 HB3 ALA 38 HB3 ALA 38 -17.166 2.398 8.601
270 H ALA 39 HN ALA 39 -13.640 2.982 6.277
271 HA ALA 39 HA ALA 39 -14.359 4.557 4.053
272 HB1 ALA 39 HB1 ALA 39 -11.742 4.141 3.587
273 HB2 ALA 39 HB2 ALA 39 -11.799 3.643 5.283
274 HB3 ALA 39 HB3 ALA 39 -12.324 5.264 4.815
275 H GLU 40 HN GLU 40 -13.177 4.128 1.865
276 HA GLU 40 HA GLU 40 -14.239 1.655 0.837
277 HB2 GLU 40 HB2 GLU 40 -14.241 3.916 -0.345
278 HB3 GLU 40 HB1 GLU 40 -12.524 3.664 -0.628
279 HG2 GLU 40 HG2 GLU 40 -12.972 1.717 -1.949
280 HG3 GLU 40 HG1 GLU 40 -14.691 1.802 -1.564
281 H GLY 41 HN GLY 41 -12.385 1.104 2.750
282 HA2 GLY 41 HA2 GLY 41 -10.584 -0.246 3.156
283 HA3 GLY 41 HA1 GLY 41 -10.613 -0.658 1.444
284 H CYS 42 HN CYS 42 -10.013 2.466 3.139
285 HA CYS 42 HA CYS 42 -7.450 2.453 1.705
286 HB2 CYS 42 HB2 CYS 42 -9.512 4.477 1.737
287 HB3 CYS 42 HB1 CYS 42 -8.015 5.087 2.413
288 H ALA 43 HN ALA 43 -8.481 1.553 4.376
289 HA ALA 43 HA ALA 43 -7.290 3.162 6.377
290 HB1 ALA 43 HB1 ALA 43 -7.814 0.194 6.377
291 HB2 ALA 43 HB2 ALA 43 -8.977 1.435 6.856
292 HB3 ALA 43 HB3 ALA 43 -7.494 1.197 7.792
293 H SER 44 HN SER 44 -6.206 0.907 4.048
294 HA SER 44 HA SER 44 -3.714 0.210 5.182
295 HB2 SER 44 HB2 SER 44 -4.821 -1.021 3.305
296 HB3 SER 44 HB1 SER 44 -4.498 0.355 2.251
297 HG SER 44 HG SER 44 -2.906 -1.289 2.058
298 H CYS 45 HN CYS 45 -4.946 3.027 3.562
299 HA CYS 45 HA CYS 45 -2.407 4.190 2.811
300 HB2 CYS 45 HB2 CYS 45 -4.701 4.925 1.917
301 HB3 CYS 45 HB1 CYS 45 -4.939 5.721 3.475
302 H PHE 46 HN PHE 46 -4.502 4.058 5.509
303 HA PHE 46 HA PHE 46 -3.427 6.102 7.098
304 HB2 PHE 46 HB2 PHE 46 -5.609 5.491 7.599
305 HB3 PHE 46 HB1 PHE 46 -5.259 3.768 7.497
306 HD1 PHE 46 HD1 PHE 46 -4.772 6.782 9.656
307 HD2 PHE 46 HD2 PHE 46 -4.817 2.541 9.367
308 HE1 PHE 46 HE1 PHE 46 -4.611 6.645 11.984
309 HE2 PHE 46 HE2 PHE 46 -4.682 2.396 11.769
310 HZ PHE 46 HZ PHE 46 -4.550 4.413 13.114
311 H CYS 47 HN CYS 47 -3.173 2.523 7.729
312 HA CYS 47 HA CYS 47 -0.822 3.218 9.303
313 HB2 CYS 47 HB2 CYS 47 -1.061 1.300 10.500
314 HB3 CYS 47 HB1 CYS 47 -2.714 1.552 9.975
315 H GLU 48 HN GLU 48 -0.838 2.818 6.105
316 HA GLU 48 HA GLU 48 1.037 0.731 5.705
317 HB2 GLU 48 HB2 GLU 48 1.547 1.789 3.555
318 HB3 GLU 48 HB1 GLU 48 -0.185 1.702 3.832
319 HG2 GLU 48 HG2 GLU 48 -0.237 4.053 4.415
320 HG3 GLU 48 HG1 GLU 48 1.513 4.158 4.199
321 H ASP 49 HN ASP 49 1.360 4.102 6.588
322 HA ASP 49 HA ASP 49 4.259 4.046 6.541
323 HB2 ASP 49 HB2 ASP 49 2.370 6.145 7.644
324 HB3 ASP 49 HB1 ASP 49 4.103 6.337 7.418
325 H HIS 50 HN HIS 50 1.702 3.323 8.648
326 HA HIS 50 HA HIS 50 3.424 3.390 11.037
327 HB2 HIS 50 HB2 HIS 50 0.480 2.779 11.128
328 HB3 HIS 50 HB1 HIS 50 1.496 3.485 12.372
329 HD1 HIS 50 HD1 HIS 50 -1.106 4.842 11.883
330 HD2 HIS 50 HD2 HIS 50 2.319 5.799 9.730
331 HE1 HIS 50 HE1 HIS 50 -1.506 7.151 10.998
332 HE2 HIS 50 HE2 HIS 50 0.597 7.742 9.715
333 H CYS 51 HN CYS 51 3.779 1.435 9.033
334 HA CYS 51 HA CYS 51 2.375 -0.960 9.660
335 HB2 CYS 51 HB2 CYS 51 3.434 -0.505 7.454
336 HB3 CYS 51 HB1 CYS 51 5.012 -0.688 8.210
337 H HIS 52 HN HIS 52 2.606 -1.025 11.936
338 HA HIS 52 HA HIS 52 4.861 -2.614 12.756
339 HB2 HIS 52 HB2 HIS 52 5.367 -1.207 14.739
340 HB3 HIS 52 HB1 HIS 52 5.727 -0.393 13.227
341 HD1 HIS 52 HD1 HIS 52 2.933 -0.444 15.828
342 HD2 HIS 52 HD2 HIS 52 4.735 2.112 13.085
343 HE1 HIS 52 HE1 HIS 52 1.843 1.798 16.175
344 HE2 HIS 52 HE2 HIS 52 2.984 3.348 14.541
345 H GLY 53 HN GLY 53 4.283 -2.284 15.557
346 HA2 GLY 53 HA2 GLY 53 2.885 -4.238 16.458
347 HA3 GLY 53 HA1 GLY 53 2.590 -2.671 17.159
348 H VAL 54 HN VAL 54 0.774 -1.397 16.121
349 HA VAL 54 HA VAL 54 -1.285 -3.268 15.452
350 HB VAL 54 HB VAL 54 -1.198 -1.443 17.482
351 HG11 VAL 54 HG11 VAL 54 -2.864 0.263 16.801
352 HG12 VAL 54 HG12 VAL 54 -2.585 -0.314 15.134
353 HG13 VAL 54 HG13 VAL 54 -1.246 0.373 16.073
354 HG21 VAL 54 HG21 VAL 54 -2.967 -2.680 17.986
355 HG22 VAL 54 HG22 VAL 54 -3.170 -3.166 16.304
356 HG23 VAL 54 HG23 VAL 54 -3.926 -1.685 16.884
357 H CYS 55 HN CYS 55 -0.991 -3.414 13.554
358 HA CYS 55 HA CYS 55 -2.086 -1.911 11.493
359 HB2 CYS 55 HB2 CYS 55 -0.025 -0.494 11.722
360 HB3 CYS 55 HB1 CYS 55 0.967 -1.929 11.529
361 H LYS 56 HN LYS 56 -0.035 -4.015 13.015
362 HA LYS 56 HA LYS 56 -0.310 -6.214 11.083
363 HB2 LYS 56 HB2 LYS 56 1.896 -5.907 12.199
364 HB3 LYS 56 HB1 LYS 56 1.119 -6.035 13.766
365 HG2 LYS 56 HG2 LYS 56 2.184 -8.097 13.328
366 HG3 LYS 56 HG1 LYS 56 0.452 -8.362 13.163
367 HD2 LYS 56 HD2 LYS 56 1.975 -7.660 10.713
368 HD3 LYS 56 HD1 LYS 56 2.215 -9.269 11.387
369 HE2 LYS 56 HE2 LYS 56 -0.303 -9.510 11.384
370 HE3 LYS 56 HE1 LYS 56 -0.358 -8.023 10.438
371 HZ1 LYS 56 HZ1 LYS 56 0.809 -10.636 9.677
372 HZ2 LYS 56 HZ2 LYS 56 1.192 -9.214 8.843
373 HZ3 LYS 56 HZ3 LYS 56 -0.413 -9.767 8.892
374 H ASP 57 HN ASP 57 -1.321 -4.818 14.101
375 HA ASP 57 HA ASP 57 -3.107 -7.020 14.812
376 HB2 ASP 57 HB2 ASP 57 -1.771 -5.078 16.306
377 HB3 ASP 57 HB1 ASP 57 -3.421 -4.483 16.233
378 H LEU 58 HN LEU 58 -2.969 -3.923 13.342
379 HA LEU 58 HA LEU 58 -5.706 -3.219 13.277
380 HB2 LEU 58 HB2 LEU 58 -3.131 -2.266 12.469
381 HB3 LEU 58 HB1 LEU 58 -4.190 -2.145 11.123
382 HG LEU 58 HG LEU 58 -5.697 -0.681 12.452
383 HD11 LEU 58 HD11 LEU 58 -4.701 -1.767 14.625
384 HD12 LEU 58 HD12 LEU 58 -5.288 -0.097 14.602
385 HD13 LEU 58 HD13 LEU 58 -3.554 -0.429 14.486
386 HD21 LEU 58 HD21 LEU 58 -3.597 0.032 11.086
387 HD22 LEU 58 HD22 LEU 58 -2.968 0.452 12.681
388 HD23 LEU 58 HD23 LEU 58 -4.460 1.191 12.097
389 H HIS 59 HN HIS 59 -3.762 -5.491 11.752
390 HA HIS 59 HA HIS 59 -4.025 -7.107 10.233
391 HB2 HIS 59 HB2 HIS 59 -6.598 -6.678 11.218
392 HB3 HIS 59 HB1 HIS 59 -6.785 -6.711 9.467
393 HD1 HIS 59 HD1 HIS 59 -4.803 -8.833 11.962
394 HD2 HIS 59 HD2 HIS 59 -7.311 -9.224 8.662
395 HE1 HIS 59 HE1 HIS 59 -5.001 -11.311 11.549
396 HE2 HIS 59 HE2 HIS 59 -6.448 -11.525 9.488
397 H LEU 60 HN LEU 60 -3.053 -4.665 9.317
398 HA LEU 60 HA LEU 60 -4.226 -4.561 6.622
399 HB2 LEU 60 HB2 LEU 60 -2.499 -2.445 7.901
400 HB3 LEU 60 HB1 LEU 60 -3.351 -2.334 6.371
401 HG LEU 60 HG LEU 60 -4.468 -2.199 9.150
402 HD11 LEU 60 HD11 LEU 60 -3.814 -0.336 7.198
403 HD12 LEU 60 HD12 LEU 60 -4.707 -0.069 8.695
404 HD13 LEU 60 HD13 LEU 60 -5.576 -0.430 7.205
405 HD21 LEU 60 HD21 LEU 60 -5.967 -3.735 8.213
406 HD22 LEU 60 HD22 LEU 60 -5.911 -2.949 6.629
407 HD23 LEU 60 HD23 LEU 60 -6.730 -2.158 7.977
408 H CYS 61 HN CYS 61 -1.069 -4.181 8.279
409 HA CYS 61 HA CYS 61 0.152 -5.496 5.943
410 HB2 CYS 61 HB2 CYS 61 2.111 -4.192 6.174
411 HB3 CYS 61 HB1 CYS 61 0.796 -3.050 6.385
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 1.854 0.016 1.317
2 H2 ALA 1 HT2 ALA 1 2.030 -1.440 0.428
3 H3 ALA 1 HT3 ALA 1 0.494 -0.670 0.526
4 HA ALA 1 HA ALA 1 2.382 1.147 -0.420
5 HB1 ALA 1 HB1 ALA 1 2.199 -0.722 -2.589
6 HB2 ALA 1 HB2 ALA 1 2.991 -1.479 -1.209
7 HB3 ALA 1 HB3 ALA 1 3.632 0.023 -1.875
8 H MET 2 HN MET 2 0.811 2.561 -0.788
9 HA MET 2 HA MET 2 -0.914 3.622 -1.765
10 HB2 MET 2 HB2 MET 2 -0.781 1.295 -3.666
11 HB3 MET 2 HB1 MET 2 -1.974 2.575 -3.832
12 HG2 MET 2 HG2 MET 2 -0.103 4.213 -3.927
13 HG3 MET 2 HG1 MET 2 1.018 2.852 -3.950
14 HE1 MET 2 HE1 MET 2 0.840 5.218 -6.106
15 HE2 MET 2 HE2 MET 2 0.980 4.355 -7.640
16 HE3 MET 2 HE3 MET 2 2.028 3.933 -6.290
17 H GLY 3 HN GLY 3 -2.105 0.289 -2.267
18 HA2 GLY 3 HA2 GLY 3 -3.787 -0.740 -0.881
19 HA3 GLY 3 HA1 GLY 3 -4.156 0.831 -0.234
20 H LYS 4 HN LYS 4 -6.293 0.435 -0.598
21 HA LYS 4 HA LYS 4 -7.280 0.176 -3.305
22 HB2 LYS 4 HB2 LYS 4 -8.174 -0.679 -0.929
23 HB3 LYS 4 HB1 LYS 4 -8.959 0.887 -0.952
24 HG2 LYS 4 HG2 LYS 4 -9.290 -1.354 -2.953
25 HG3 LYS 4 HG1 LYS 4 -10.468 -0.830 -1.753
26 HD2 LYS 4 HD2 LYS 4 -10.741 1.286 -2.886
27 HD3 LYS 4 HD1 LYS 4 -9.472 0.865 -4.045
28 HE2 LYS 4 HE2 LYS 4 -10.859 -1.076 -4.751
29 HE3 LYS 4 HE1 LYS 4 -12.136 -0.506 -3.675
30 HZ1 LYS 4 HZ1 LYS 4 -12.811 0.460 -5.588
31 HZ2 LYS 4 HZ2 LYS 4 -11.249 0.563 -6.242
32 HZ3 LYS 4 HZ3 LYS 4 -11.757 1.694 -5.071
33 H CYS 5 HN CYS 5 -5.553 2.278 -2.479
34 HA CYS 5 HA CYS 5 -7.188 4.688 -2.866
35 HB2 CYS 5 HB2 CYS 5 -4.617 4.443 -1.296
36 HB3 CYS 5 HB1 CYS 5 -5.750 5.801 -1.276
37 H SER 6 HN SER 6 -6.677 5.460 -4.890
38 HA SER 6 HA SER 6 -4.372 4.703 -6.340
39 HB2 SER 6 HB2 SER 6 -6.165 7.087 -6.846
40 HB3 SER 6 HB1 SER 6 -5.100 6.303 -8.014
41 HG SER 6 HG SER 6 -7.081 4.800 -6.688
42 H VAL 7 HN VAL 7 -2.961 6.508 -7.406
43 HA VAL 7 HA VAL 7 -1.211 7.480 -5.496
44 HB VAL 7 HB VAL 7 -0.440 7.215 -7.707
45 HG11 VAL 7 HG11 VAL 7 -1.811 7.512 -9.413
46 HG12 VAL 7 HG12 VAL 7 -1.449 9.237 -9.293
47 HG13 VAL 7 HG13 VAL 7 -2.850 8.571 -8.461
48 HG21 VAL 7 HG21 VAL 7 0.217 9.739 -8.263
49 HG22 VAL 7 HG22 VAL 7 0.965 8.822 -6.958
50 HG23 VAL 7 HG23 VAL 7 -0.344 9.944 -6.602
51 H LEU 8 HN LEU 8 -3.373 9.496 -7.460
52 HA LEU 8 HA LEU 8 -3.019 11.816 -5.840
53 HB2 LEU 8 HB2 LEU 8 -4.835 12.798 -7.141
54 HB3 LEU 8 HB1 LEU 8 -3.684 11.988 -8.185
55 HG LEU 8 HG LEU 8 -6.101 10.460 -7.345
56 HD11 LEU 8 HD11 LEU 8 -7.255 11.446 -9.383
57 HD12 LEU 8 HD12 LEU 8 -6.091 12.767 -9.268
58 HD13 LEU 8 HD13 LEU 8 -7.198 12.450 -7.933
59 HD21 LEU 8 HD21 LEU 8 -3.992 10.269 -9.286
60 HD22 LEU 8 HD22 LEU 8 -5.559 10.272 -10.092
61 HD23 LEU 8 HD23 LEU 8 -5.213 9.076 -8.843
62 H LYS 9 HN LYS 9 -5.141 9.075 -5.653
63 HA LYS 9 HA LYS 9 -6.990 10.346 -3.858
64 HB2 LYS 9 HB2 LYS 9 -6.646 7.524 -4.841
65 HB3 LYS 9 HB1 LYS 9 -7.797 7.928 -3.583
66 HG2 LYS 9 HG2 LYS 9 -8.915 9.492 -5.106
67 HG3 LYS 9 HG1 LYS 9 -7.761 9.068 -6.372
68 HD2 LYS 9 HD2 LYS 9 -8.580 6.832 -6.475
69 HD3 LYS 9 HD1 LYS 9 -9.553 7.063 -5.017
70 HE2 LYS 9 HE2 LYS 9 -10.853 7.146 -7.149
71 HE3 LYS 9 HE1 LYS 9 -11.016 8.574 -6.130
72 HZ1 LYS 9 HZ1 LYS 9 -10.740 9.120 -8.485
73 HZ2 LYS 9 HZ2 LYS 9 -9.215 8.369 -8.493
74 HZ3 LYS 9 HZ3 LYS 9 -9.483 9.752 -7.540
75 H LYS 10 HN LYS 10 -3.892 9.354 -3.535
76 HA LYS 10 HA LYS 10 -4.016 8.158 -0.898
77 HB2 LYS 10 HB2 LYS 10 -2.199 7.733 -2.640
78 HB3 LYS 10 HB1 LYS 10 -1.614 9.357 -2.306
79 HG2 LYS 10 HG2 LYS 10 -1.723 8.282 0.194
80 HG3 LYS 10 HG1 LYS 10 -1.300 6.876 -0.785
81 HD2 LYS 10 HD2 LYS 10 0.164 9.502 -0.624
82 HD3 LYS 10 HD1 LYS 10 0.719 7.931 -0.053
83 HE2 LYS 10 HE2 LYS 10 0.985 7.115 -2.259
84 HE3 LYS 10 HE1 LYS 10 0.080 8.465 -2.944
85 HZ1 LYS 10 HZ1 LYS 10 1.830 9.893 -2.693
86 HZ2 LYS 10 HZ2 LYS 10 2.665 8.456 -3.033
87 HZ3 LYS 10 HZ3 LYS 10 2.546 9.007 -1.432
88 H VAL 11 HN VAL 11 -4.403 11.134 -2.235
89 HA VAL 11 HA VAL 11 -3.338 12.692 -0.011
90 HB VAL 11 HB VAL 11 -3.554 13.078 -2.772
91 HG11 VAL 11 HG11 VAL 11 -5.075 14.657 -3.317
92 HG12 VAL 11 HG12 VAL 11 -5.153 15.322 -1.684
93 HG13 VAL 11 HG13 VAL 11 -5.972 13.804 -2.063
94 HG21 VAL 11 HG21 VAL 11 -3.101 15.521 -1.255
95 HG22 VAL 11 HG22 VAL 11 -2.059 14.660 -2.390
96 HG23 VAL 11 HG23 VAL 11 -2.159 14.134 -0.709
97 H ALA 12 HN ALA 12 -6.203 11.406 -1.370
98 HA ALA 12 HA ALA 12 -7.998 13.085 0.166
99 HB1 ALA 12 HB1 ALA 12 -9.264 10.868 -1.179
100 HB2 ALA 12 HB2 ALA 12 -8.220 11.788 -2.264
101 HB3 ALA 12 HB3 ALA 12 -9.512 12.602 -1.382
102 H CYS 13 HN CYS 13 -6.382 10.092 0.642
103 HA CYS 13 HA CYS 13 -8.404 8.787 2.169
104 HB2 CYS 13 HB2 CYS 13 -6.518 7.483 3.197
105 HB3 CYS 13 HB1 CYS 13 -6.613 7.390 1.429
106 H ALA 14 HN ALA 14 -6.177 11.329 2.815
107 HA ALA 14 HA ALA 14 -6.072 11.105 5.623
108 HB1 ALA 14 HB1 ALA 14 -4.792 12.689 3.872
109 HB2 ALA 14 HB2 ALA 14 -4.938 13.084 5.585
110 HB3 ALA 14 HB3 ALA 14 -6.034 13.819 4.418
111 H ALA 15 HN ALA 15 -8.245 12.776 3.387
112 HA ALA 15 HA ALA 15 -9.887 13.976 5.346
113 HB1 ALA 15 HB1 ALA 15 -11.575 14.030 3.447
114 HB2 ALA 15 HB2 ALA 15 -10.335 13.243 2.468
115 HB3 ALA 15 HB3 ALA 15 -10.034 14.839 3.159
116 H ALA 16 HN ALA 16 -9.681 10.784 4.064
117 HA ALA 16 HA ALA 16 -12.273 9.925 4.942
118 HB1 ALA 16 HB1 ALA 16 -10.134 7.974 4.293
119 HB2 ALA 16 HB2 ALA 16 -10.741 9.015 3.004
120 HB3 ALA 16 HB3 ALA 16 -11.850 7.954 3.878
121 H ILE 17 HN ILE 17 -8.927 9.086 5.973
122 HA ILE 17 HA ILE 17 -10.019 7.775 8.252
123 HB ILE 17 HB ILE 17 -8.110 6.731 7.337
124 HG12 ILE 17 HG12 ILE 17 -8.405 7.110 9.916
125 HG13 ILE 17 HG11 ILE 17 -7.001 6.283 9.258
126 HG21 ILE 17 HG21 ILE 17 -6.948 9.375 7.171
127 HG22 ILE 17 HG22 ILE 17 -6.513 7.882 6.305
128 HG23 ILE 17 HG23 ILE 17 -5.874 8.189 7.958
129 HD11 ILE 17 HD11 ILE 17 -7.182 8.847 10.637
130 HD12 ILE 17 HD12 ILE 17 -6.148 8.844 9.210
131 HD13 ILE 17 HD13 ILE 17 -5.841 7.708 10.522
132 H ALA 18 HN ALA 18 -8.667 10.962 7.718
133 HA ALA 18 HA ALA 18 -7.909 11.705 10.263
134 HB1 ALA 18 HB1 ALA 18 -9.537 13.765 8.976
135 HB2 ALA 18 HB2 ALA 18 -8.280 13.081 7.947
136 HB3 ALA 18 HB3 ALA 18 -7.852 13.806 9.498
137 H GLY 19 HN GLY 19 -11.182 11.374 9.011
138 HA2 GLY 19 HA2 GLY 19 -12.524 12.555 11.203
139 HA3 GLY 19 HA1 GLY 19 -13.220 11.394 10.079
140 H ALA 20 HN ALA 20 -11.112 9.393 10.694
141 HA ALA 20 HA ALA 20 -12.392 8.221 12.987
142 HB1 ALA 20 HB1 ALA 20 -11.904 6.772 11.169
143 HB2 ALA 20 HB2 ALA 20 -10.856 6.326 12.515
144 HB3 ALA 20 HB3 ALA 20 -10.207 7.260 11.165
145 H VAL 21 HN VAL 21 -9.216 9.655 12.282
146 HA VAL 21 HA VAL 21 -8.155 8.835 14.824
147 HB VAL 21 HB VAL 21 -6.386 10.413 14.560
148 HG11 VAL 21 HG11 VAL 21 -7.073 8.522 12.447
149 HG12 VAL 21 HG12 VAL 21 -5.590 8.686 13.397
150 HG13 VAL 21 HG13 VAL 21 -5.855 9.722 11.995
151 HG21 VAL 21 HG21 VAL 21 -8.012 11.565 12.355
152 HG22 VAL 21 HG22 VAL 21 -6.258 11.764 12.397
153 HG23 VAL 21 HG23 VAL 21 -7.249 12.360 13.737
154 H ALA 22 HN ALA 22 -9.811 11.528 13.522
155 HA ALA 22 HA ALA 22 -9.708 13.394 15.586
156 HB1 ALA 22 HB1 ALA 22 -10.912 13.238 13.136
157 HB2 ALA 22 HB2 ALA 22 -11.183 14.531 14.308
158 HB3 ALA 22 HB3 ALA 22 -12.303 13.172 14.224
159 H ALA 23 HN ALA 23 -11.536 10.444 15.162
160 HA ALA 23 HA ALA 23 -13.445 10.823 17.204
161 HB1 ALA 23 HB1 ALA 23 -12.616 8.695 15.434
162 HB2 ALA 23 HB2 ALA 23 -14.173 8.953 16.233
163 HB3 ALA 23 HB3 ALA 23 -12.892 8.078 17.070
164 H CYS 24 HN CYS 24 -10.119 9.607 17.180
165 HA CYS 24 HA CYS 24 -10.265 9.202 20.077
166 HB2 CYS 24 HB2 CYS 24 -8.904 7.854 18.009
167 HB3 CYS 24 HB1 CYS 24 -7.668 8.616 19.003
168 H GLY 25 HN GLY 25 -7.653 10.552 17.953
169 HA2 GLY 25 HA2 GLY 25 -7.737 13.117 19.077
170 HA3 GLY 25 HA1 GLY 25 -6.643 12.154 20.047
171 H GLY 26 HN GLY 26 -5.656 10.602 17.700
172 HA2 GLY 26 HA2 GLY 26 -4.649 12.180 15.659
173 HA3 GLY 26 HA1 GLY 26 -3.544 12.392 17.006
174 H ILE 27 HN ILE 27 -4.586 10.380 14.485
175 HA ILE 27 HA ILE 27 -4.076 8.315 13.740
176 HB ILE 27 HB ILE 27 -1.324 9.416 14.325
177 HG12 ILE 27 HG12 ILE 27 -2.920 10.635 12.763
178 HG13 ILE 27 HG11 ILE 27 -1.401 10.119 12.026
179 HG21 ILE 27 HG21 ILE 27 -0.382 7.765 12.922
180 HG22 ILE 27 HG22 ILE 27 -1.965 7.257 12.314
181 HG23 ILE 27 HG23 ILE 27 -1.477 6.857 13.968
182 HD11 ILE 27 HD11 ILE 27 -3.983 9.570 11.116
183 HD12 ILE 27 HD12 ILE 27 -3.393 8.041 11.796
184 HD13 ILE 27 HD13 ILE 27 -2.468 8.871 10.533
185 H ASP 28 HN ASP 28 -5.145 7.749 15.974
186 HA ASP 28 HA ASP 28 -3.397 5.981 17.513
187 HB2 ASP 28 HB2 ASP 28 -6.395 6.348 17.812
188 HB3 ASP 28 HB1 ASP 28 -5.267 5.715 18.989
189 H LEU 29 HN LEU 29 -3.003 4.833 15.479
190 HA LEU 29 HA LEU 29 -4.705 4.019 13.670
191 HB2 LEU 29 HB2 LEU 29 -3.200 2.158 13.105
192 HB3 LEU 29 HB1 LEU 29 -2.437 3.708 13.303
193 HG LEU 29 HG LEU 29 -2.308 1.515 15.380
194 HD11 LEU 29 HD11 LEU 29 -1.017 1.677 12.874
195 HD12 LEU 29 HD12 LEU 29 -0.667 0.576 14.205
196 HD13 LEU 29 HD13 LEU 29 0.183 2.120 14.093
197 HD21 LEU 29 HD21 LEU 29 -0.161 3.088 15.786
198 HD22 LEU 29 HD22 LEU 29 -1.702 3.315 16.618
199 HD23 LEU 29 HD23 LEU 29 -1.311 4.291 15.204
200 HA PRO 30 HA PRO 30 -6.270 0.027 15.831
201 HB2 PRO 30 HB2 PRO 30 -6.382 0.492 18.667
202 HB3 PRO 30 HB1 PRO 30 -5.550 -0.801 17.803
203 HG2 PRO 30 HG2 PRO 30 -4.322 1.265 19.183
204 HG3 PRO 30 HG1 PRO 30 -3.546 0.242 17.967
205 HD2 PRO 30 HD2 PRO 30 -4.525 3.026 17.746
206 HD3 PRO 30 HD1 PRO 30 -3.230 2.204 16.854
207 H CYS 31 HN CYS 31 -6.676 3.196 17.171
208 HA CYS 31 HA CYS 31 -9.435 2.882 17.898
209 HB2 CYS 31 HB2 CYS 31 -7.630 4.397 18.944
210 HB3 CYS 31 HB1 CYS 31 -7.965 5.477 17.607
211 H VAL 32 HN VAL 32 -7.640 4.727 15.399
212 HA VAL 32 HA VAL 32 -9.964 5.826 14.207
213 HB VAL 32 HB VAL 32 -8.565 6.960 12.840
214 HG11 VAL 32 HG11 VAL 32 -6.224 6.984 13.437
215 HG12 VAL 32 HG12 VAL 32 -6.431 5.482 14.343
216 HG13 VAL 32 HG13 VAL 32 -7.269 6.954 14.866
217 HG21 VAL 32 HG21 VAL 32 -8.524 5.012 11.280
218 HG22 VAL 32 HG22 VAL 32 -7.003 4.533 12.053
219 HG23 VAL 32 HG23 VAL 32 -7.127 6.103 11.227
220 H LEU 33 HN LEU 33 -8.310 2.757 13.731
221 HA LEU 33 HA LEU 33 -9.681 2.107 11.339
222 HB2 LEU 33 HB2 LEU 33 -7.569 1.062 12.688
223 HB3 LEU 33 HB1 LEU 33 -8.823 -0.110 13.050
224 HG LEU 33 HG LEU 33 -9.187 0.103 10.401
225 HD11 LEU 33 HD11 LEU 33 -6.207 0.121 10.465
226 HD12 LEU 33 HD12 LEU 33 -7.049 1.679 10.517
227 HD13 LEU 33 HD13 LEU 33 -7.329 0.574 9.172
228 HD21 LEU 33 HD21 LEU 33 -7.767 -1.667 12.212
229 HD22 LEU 33 HD22 LEU 33 -7.256 -1.808 10.529
230 HD23 LEU 33 HD23 LEU 33 -8.953 -2.031 10.957
231 H ALA 34 HN ALA 34 -10.955 2.569 14.329
232 HA ALA 34 HA ALA 34 -12.848 0.353 14.223
233 HB1 ALA 34 HB1 ALA 34 -13.641 2.187 16.205
234 HB2 ALA 34 HB2 ALA 34 -11.879 2.119 16.275
235 HB3 ALA 34 HB3 ALA 34 -12.826 0.638 16.437
236 H ALA 35 HN ALA 35 -12.507 3.611 13.260
237 HA ALA 35 HA ALA 35 -15.376 3.808 12.620
238 HB1 ALA 35 HB1 ALA 35 -13.576 5.689 13.809
239 HB2 ALA 35 HB2 ALA 35 -15.307 5.849 13.511
240 HB3 ALA 35 HB3 ALA 35 -14.149 6.322 12.265
241 H LEU 36 HN LEU 36 -12.091 4.349 11.471
242 HA LEU 36 HA LEU 36 -12.732 5.092 8.817
243 HB2 LEU 36 HB2 LEU 36 -10.545 5.627 9.565
244 HB3 LEU 36 HB1 LEU 36 -10.244 3.982 10.112
245 HG LEU 36 HG LEU 36 -10.467 3.318 7.639
246 HD11 LEU 36 HD11 LEU 36 -9.706 6.113 7.075
247 HD12 LEU 36 HD12 LEU 36 -11.407 5.676 7.243
248 HD13 LEU 36 HD13 LEU 36 -10.413 4.867 6.010
249 HD21 LEU 36 HD21 LEU 36 -8.231 3.503 7.221
250 HD22 LEU 36 HD22 LEU 36 -8.283 3.620 8.998
251 HD23 LEU 36 HD23 LEU 36 -8.103 5.086 8.021
252 H LYS 37 HN LYS 37 -12.728 2.076 10.451
253 HA LYS 37 HA LYS 37 -11.888 0.450 8.394
254 HB2 LYS 37 HB2 LYS 37 -12.417 -0.167 10.844
255 HB3 LYS 37 HB1 LYS 37 -14.073 -0.408 10.303
256 HG2 LYS 37 HG2 LYS 37 -13.273 -2.089 8.685
257 HG3 LYS 37 HG1 LYS 37 -11.640 -1.883 9.318
258 HD2 LYS 37 HD2 LYS 37 -12.472 -2.551 11.559
259 HD3 LYS 37 HD1 LYS 37 -14.056 -2.860 10.847
260 HE2 LYS 37 HE2 LYS 37 -11.471 -4.259 10.153
261 HE3 LYS 37 HE1 LYS 37 -12.807 -4.929 11.085
262 HZ1 LYS 37 HZ1 LYS 37 -13.024 -4.073 8.248
263 HZ2 LYS 37 HZ2 LYS 37 -14.207 -4.870 9.158
264 HZ3 LYS 37 HZ3 LYS 37 -12.766 -5.669 8.749
265 H ALA 38 HN ALA 38 -14.710 2.327 8.455
266 HA ALA 38 HA ALA 38 -16.504 0.754 6.925
267 HB1 ALA 38 HB1 ALA 38 -16.757 3.425 6.071
268 HB2 ALA 38 HB2 ALA 38 -16.285 3.509 7.769
269 HB3 ALA 38 HB3 ALA 38 -17.722 2.600 7.295
270 H ALA 39 HN ALA 39 -13.693 2.620 6.315
271 HA ALA 39 HA ALA 39 -13.717 2.299 3.416
272 HB1 ALA 39 HB1 ALA 39 -12.727 4.288 4.988
273 HB2 ALA 39 HB2 ALA 39 -12.107 3.917 3.378
274 HB3 ALA 39 HB3 ALA 39 -11.290 3.270 4.810
275 H GLU 40 HN GLU 40 -13.815 -0.135 4.187
276 HA GLU 40 HA GLU 40 -11.472 -1.354 5.195
277 HB2 GLU 40 HB2 GLU 40 -13.851 -2.287 5.136
278 HB3 GLU 40 HB1 GLU 40 -13.537 -2.707 3.459
279 HG2 GLU 40 HG2 GLU 40 -11.714 -4.146 4.139
280 HG3 GLU 40 HG1 GLU 40 -11.955 -3.683 5.824
281 H GLY 41 HN GLY 41 -9.924 -0.215 3.871
282 HA2 GLY 41 HA2 GLY 41 -8.505 -1.594 2.115
283 HA3 GLY 41 HA1 GLY 41 -9.793 -0.999 1.082
284 H CYS 42 HN CYS 42 -9.691 1.604 3.018
285 HA CYS 42 HA CYS 42 -7.397 2.636 1.493
286 HB2 CYS 42 HB2 CYS 42 -10.016 3.707 1.647
287 HB3 CYS 42 HB1 CYS 42 -8.952 4.787 2.524
288 H ALA 43 HN ALA 43 -8.184 1.403 4.217
289 HA ALA 43 HA ALA 43 -7.119 3.145 6.183
290 HB1 ALA 43 HB1 ALA 43 -7.464 1.412 7.619
291 HB2 ALA 43 HB2 ALA 43 -6.869 0.205 6.474
292 HB3 ALA 43 HB3 ALA 43 -8.511 0.868 6.303
293 H SER 44 HN SER 44 -5.928 0.877 3.844
294 HA SER 44 HA SER 44 -3.312 0.475 4.717
295 HB2 SER 44 HB2 SER 44 -4.159 -0.845 2.886
296 HB3 SER 44 HB1 SER 44 -4.497 0.597 1.926
297 HG SER 44 HG SER 44 -1.957 0.744 2.533
298 H CYS 45 HN CYS 45 -4.897 3.166 3.172
299 HA CYS 45 HA CYS 45 -2.504 4.582 2.427
300 HB2 CYS 45 HB2 CYS 45 -4.957 4.935 1.570
301 HB3 CYS 45 HB1 CYS 45 -5.131 5.935 3.014
302 H PHE 46 HN PHE 46 -4.810 4.602 5.039
303 HA PHE 46 HA PHE 46 -3.867 6.662 6.643
304 HB2 PHE 46 HB2 PHE 46 -5.907 5.866 7.363
305 HB3 PHE 46 HB1 PHE 46 -5.502 4.193 7.000
306 HD1 PHE 46 HD1 PHE 46 -4.812 6.902 9.480
307 HD2 PHE 46 HD2 PHE 46 -5.014 2.732 8.723
308 HE1 PHE 46 HE1 PHE 46 -4.483 6.491 11.774
309 HE2 PHE 46 HE2 PHE 46 -4.699 2.298 11.089
310 HZ PHE 46 HZ PHE 46 -4.434 4.152 12.650
311 H CYS 47 HN CYS 47 -3.340 3.192 7.193
312 HA CYS 47 HA CYS 47 -1.136 3.725 8.949
313 HB2 CYS 47 HB2 CYS 47 -2.920 1.879 9.051
314 HB3 CYS 47 HB1 CYS 47 -1.905 1.032 7.892
315 H GLU 48 HN GLU 48 -0.934 3.990 5.710
316 HA GLU 48 HA GLU 48 0.982 2.182 4.849
317 HB2 GLU 48 HB2 GLU 48 -0.001 4.709 3.911
318 HB3 GLU 48 HB1 GLU 48 1.745 4.652 3.716
319 HG2 GLU 48 HG2 GLU 48 0.980 2.188 2.808
320 HG3 GLU 48 HG1 GLU 48 -0.351 3.220 2.283
321 H ASP 49 HN ASP 49 1.618 5.355 6.351
322 HA ASP 49 HA ASP 49 4.440 5.009 6.387
323 HB2 ASP 49 HB2 ASP 49 3.302 7.218 6.495
324 HB3 ASP 49 HB1 ASP 49 2.737 6.825 8.112
325 H HIS 50 HN HIS 50 1.970 4.724 8.928
326 HA HIS 50 HA HIS 50 3.952 3.511 10.692
327 HB2 HIS 50 HB2 HIS 50 1.971 3.677 12.361
328 HB3 HIS 50 HB1 HIS 50 2.814 5.142 11.887
329 HD1 HIS 50 HD1 HIS 50 -0.407 3.276 11.193
330 HD2 HIS 50 HD2 HIS 50 1.257 7.053 10.689
331 HE1 HIS 50 HE1 HIS 50 -2.288 4.752 10.405
332 HE2 HIS 50 HE2 HIS 50 -1.185 6.956 9.856
333 H CYS 51 HN CYS 51 3.309 1.786 8.629
334 HA CYS 51 HA CYS 51 1.245 -0.036 9.462
335 HB2 CYS 51 HB2 CYS 51 3.084 0.139 7.172
336 HB3 CYS 51 HB1 CYS 51 2.774 -1.503 7.715
337 H HIS 52 HN HIS 52 2.296 0.014 11.666
338 HA HIS 52 HA HIS 52 3.726 -2.477 12.031
339 HB2 HIS 52 HB2 HIS 52 5.428 -1.400 13.515
340 HB3 HIS 52 HB1 HIS 52 5.591 -0.953 11.823
341 HD1 HIS 52 HD1 HIS 52 3.625 0.570 14.741
342 HD2 HIS 52 HD2 HIS 52 6.242 1.648 11.695
343 HE1 HIS 52 HE1 HIS 52 3.942 3.053 14.972
344 HE2 HIS 52 HE2 HIS 52 5.709 3.633 13.264
345 H GLY 53 HN GLY 53 4.097 -2.694 14.564
346 HA2 GLY 53 HA2 GLY 53 3.151 -2.858 16.644
347 HA3 GLY 53 HA1 GLY 53 2.380 -1.315 16.320
348 H VAL 54 HN VAL 54 0.227 -1.260 16.012
349 HA VAL 54 HA VAL 54 -1.203 -3.753 16.260
350 HB VAL 54 HB VAL 54 -1.633 -1.498 17.518
351 HG11 VAL 54 HG11 VAL 54 -3.333 -0.107 16.398
352 HG12 VAL 54 HG12 VAL 54 -3.127 -1.092 14.934
353 HG13 VAL 54 HG13 VAL 54 -1.785 -0.111 15.546
354 HG21 VAL 54 HG21 VAL 54 -3.372 -2.664 18.260
355 HG22 VAL 54 HG22 VAL 54 -3.277 -3.709 16.843
356 HG23 VAL 54 HG23 VAL 54 -4.273 -2.256 16.801
357 H CYS 55 HN CYS 55 -0.036 -1.960 13.723
358 HA CYS 55 HA CYS 55 -2.254 -1.848 11.911
359 HB2 CYS 55 HB2 CYS 55 0.191 -0.815 11.813
360 HB3 CYS 55 HB1 CYS 55 0.563 -2.312 10.963
361 H LYS 56 HN LYS 56 -0.376 -4.384 13.173
362 HA LYS 56 HA LYS 56 -0.810 -6.271 11.024
363 HB2 LYS 56 HB2 LYS 56 1.105 -6.192 12.835
364 HB3 LYS 56 HB1 LYS 56 -0.066 -7.046 13.829
365 HG2 LYS 56 HG2 LYS 56 -0.242 -8.713 11.918
366 HG3 LYS 56 HG1 LYS 56 1.181 -7.922 11.241
367 HD2 LYS 56 HD2 LYS 56 0.934 -9.545 13.754
368 HD3 LYS 56 HD1 LYS 56 2.061 -9.739 12.414
369 HE2 LYS 56 HE2 LYS 56 3.442 -8.844 14.021
370 HE3 LYS 56 HE1 LYS 56 2.911 -7.379 13.195
371 HZ1 LYS 56 HZ1 LYS 56 1.700 -6.716 14.965
372 HZ2 LYS 56 HZ2 LYS 56 2.771 -7.698 15.830
373 HZ3 LYS 56 HZ3 LYS 56 1.243 -8.285 15.403
374 H ASP 57 HN ASP 57 -2.148 -5.337 14.100
375 HA ASP 57 HA ASP 57 -4.157 -7.402 14.266
376 HB2 ASP 57 HB2 ASP 57 -3.071 -5.713 16.104
377 HB3 ASP 57 HB1 ASP 57 -4.499 -4.797 15.661
378 H LEU 58 HN LEU 58 -3.728 -4.206 13.109
379 HA LEU 58 HA LEU 58 -6.309 -3.322 12.596
380 HB2 LEU 58 HB2 LEU 58 -3.557 -2.637 12.164
381 HB3 LEU 58 HB1 LEU 58 -4.417 -2.375 10.696
382 HG LEU 58 HG LEU 58 -5.929 -0.791 11.879
383 HD11 LEU 58 HD11 LEU 58 -5.752 -1.753 14.117
384 HD12 LEU 58 HD12 LEU 58 -5.300 -0.043 14.107
385 HD13 LEU 58 HD13 LEU 58 -4.042 -1.288 14.183
386 HD21 LEU 58 HD21 LEU 58 -4.444 0.976 11.823
387 HD22 LEU 58 HD22 LEU 58 -3.672 -0.212 10.770
388 HD23 LEU 58 HD23 LEU 58 -3.102 0.004 12.426
389 H HIS 59 HN HIS 59 -3.941 -5.173 10.740
390 HA HIS 59 HA HIS 59 -3.995 -6.375 8.834
391 HB2 HIS 59 HB2 HIS 59 -5.763 -7.545 10.320
392 HB3 HIS 59 HB1 HIS 59 -6.948 -6.782 9.261
393 HD1 HIS 59 HD1 HIS 59 -6.354 -7.287 6.567
394 HD2 HIS 59 HD2 HIS 59 -4.989 -9.951 9.442
395 HE1 HIS 59 HE1 HIS 59 -5.851 -9.418 5.321
396 HE2 HIS 59 HE2 HIS 59 -4.817 -10.941 7.050
397 H LEU 60 HN LEU 60 -3.637 -4.269 7.868
398 HA LEU 60 HA LEU 60 -5.771 -3.702 5.967
399 HB2 LEU 60 HB2 LEU 60 -6.244 -1.732 6.874
400 HB3 LEU 60 HB1 LEU 60 -5.297 -2.247 8.252
401 HG LEU 60 HG LEU 60 -4.499 -0.345 6.061
402 HD11 LEU 60 HD11 LEU 60 -5.833 0.209 8.225
403 HD12 LEU 60 HD12 LEU 60 -4.479 1.230 7.738
404 HD13 LEU 60 HD13 LEU 60 -4.265 0.025 9.012
405 HD21 LEU 60 HD21 LEU 60 -2.432 -0.263 7.720
406 HD22 LEU 60 HD22 LEU 60 -2.463 -1.251 6.261
407 HD23 LEU 60 HD23 LEU 60 -2.814 -1.983 7.833
408 H CYS 61 HN CYS 61 -2.467 -4.191 6.547
409 HA CYS 61 HA CYS 61 -1.879 -3.633 3.747
410 HB2 CYS 61 HB2 CYS 61 0.227 -2.489 4.225
411 HB3 CYS 61 HB1 CYS 61 -1.123 -1.586 4.891
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 -1.108 -0.182 -6.994
2 H2 ALA 1 HT2 ALA 1 0.497 -0.125 -6.378
3 H3 ALA 1 HT3 ALA 1 0.009 0.971 -7.602
4 HA ALA 1 HA ALA 1 0.033 2.161 -5.637
5 HB1 ALA 1 HB1 ALA 1 -1.815 3.015 -6.614
6 HB2 ALA 1 HB2 ALA 1 -2.631 2.244 -5.254
7 HB3 ALA 1 HB3 ALA 1 -2.570 1.433 -6.819
8 H MET 2 HN MET 2 -0.019 2.241 -3.447
9 HA MET 2 HA MET 2 -0.224 -0.213 -2.007
10 HB2 MET 2 HB2 MET 2 0.240 2.640 -1.182
11 HB3 MET 2 HB1 MET 2 0.025 1.370 0.012
12 HG2 MET 2 HG2 MET 2 1.944 0.170 -1.101
13 HG3 MET 2 HG1 MET 2 2.218 1.653 -2.017
14 HE1 MET 2 HE1 MET 2 2.498 0.405 2.097
15 HE2 MET 2 HE2 MET 2 0.956 0.815 1.347
16 HE3 MET 2 HE3 MET 2 1.743 1.964 2.428
17 H GLY 3 HN GLY 3 -2.086 -1.107 -1.426
18 HA2 GLY 3 HA2 GLY 3 -4.129 -1.256 -0.345
19 HA3 GLY 3 HA1 GLY 3 -4.004 0.442 0.019
20 H LYS 4 HN LYS 4 -6.290 0.108 -0.370
21 HA LYS 4 HA LYS 4 -7.312 -0.141 -3.019
22 HB2 LYS 4 HB2 LYS 4 -8.401 -0.514 -0.686
23 HB3 LYS 4 HB1 LYS 4 -8.611 1.225 -0.678
24 HG2 LYS 4 HG2 LYS 4 -9.616 0.323 -3.153
25 HG3 LYS 4 HG1 LYS 4 -10.255 -0.755 -1.910
26 HD2 LYS 4 HD2 LYS 4 -10.955 1.250 -0.615
27 HD3 LYS 4 HD1 LYS 4 -10.443 2.252 -1.979
28 HE2 LYS 4 HE2 LYS 4 -12.034 1.073 -3.429
29 HE3 LYS 4 HE1 LYS 4 -12.552 0.095 -2.057
30 HZ1 LYS 4 HZ1 LYS 4 -12.890 2.562 -1.087
31 HZ2 LYS 4 HZ2 LYS 4 -14.105 1.682 -1.878
32 HZ3 LYS 4 HZ3 LYS 4 -13.208 2.830 -2.734
33 H CYS 5 HN CYS 5 -5.731 2.148 -1.231
34 HA CYS 5 HA CYS 5 -6.809 4.578 -2.277
35 HB2 CYS 5 HB2 CYS 5 -4.238 3.964 -0.828
36 HB3 CYS 5 HB1 CYS 5 -4.931 5.575 -1.037
37 H SER 6 HN SER 6 -6.522 4.601 -4.566
38 HA SER 6 HA SER 6 -3.973 4.036 -5.759
39 HB2 SER 6 HB2 SER 6 -4.992 4.929 -7.833
40 HB3 SER 6 HB1 SER 6 -6.011 3.711 -7.067
41 HG SER 6 HG SER 6 -6.788 5.965 -6.032
42 H VAL 7 HN VAL 7 -3.384 6.082 -7.446
43 HA VAL 7 HA VAL 7 -1.936 7.873 -5.936
44 HB VAL 7 HB VAL 7 -1.433 7.633 -8.233
45 HG11 VAL 7 HG11 VAL 7 -3.961 8.940 -9.112
46 HG12 VAL 7 HG12 VAL 7 -3.858 7.193 -8.876
47 HG13 VAL 7 HG13 VAL 7 -2.813 7.990 -10.053
48 HG21 VAL 7 HG21 VAL 7 -1.118 9.860 -8.966
49 HG22 VAL 7 HG22 VAL 7 -1.082 9.904 -7.201
50 HG23 VAL 7 HG23 VAL 7 -2.532 10.419 -8.070
51 H LEU 8 HN LEU 8 -4.953 8.613 -7.614
52 HA LEU 8 HA LEU 8 -5.324 11.137 -6.376
53 HB2 LEU 8 HB2 LEU 8 -7.565 11.057 -7.409
54 HB3 LEU 8 HB1 LEU 8 -6.269 10.691 -8.531
55 HG LEU 8 HG LEU 8 -6.948 8.185 -7.794
56 HD11 LEU 8 HD11 LEU 8 -9.557 8.328 -8.032
57 HD12 LEU 8 HD12 LEU 8 -9.318 9.907 -7.288
58 HD13 LEU 8 HD13 LEU 8 -8.777 8.453 -6.454
59 HD21 LEU 8 HD21 LEU 8 -7.813 9.985 -9.997
60 HD22 LEU 8 HD22 LEU 8 -8.576 8.400 -9.859
61 HD23 LEU 8 HD23 LEU 8 -6.827 8.524 -10.046
62 H LYS 9 HN LYS 9 -6.245 7.894 -5.453
63 HA LYS 9 HA LYS 9 -8.199 8.755 -3.541
64 HB2 LYS 9 HB2 LYS 9 -6.895 6.094 -4.095
65 HB3 LYS 9 HB1 LYS 9 -8.031 6.341 -2.785
66 HG2 LYS 9 HG2 LYS 9 -9.785 6.930 -4.332
67 HG3 LYS 9 HG1 LYS 9 -8.653 6.859 -5.685
68 HD2 LYS 9 HD2 LYS 9 -8.324 4.453 -5.268
69 HD3 LYS 9 HD1 LYS 9 -9.453 4.537 -3.918
70 HE2 LYS 9 HE2 LYS 9 -10.167 5.179 -6.782
71 HE3 LYS 9 HE1 LYS 9 -10.440 3.619 -6.008
72 HZ1 LYS 9 HZ1 LYS 9 -12.454 4.705 -5.772
73 HZ2 LYS 9 HZ2 LYS 9 -11.741 6.213 -5.444
74 HZ3 LYS 9 HZ3 LYS 9 -11.713 4.985 -4.275
75 H LYS 10 HN LYS 10 -4.777 8.410 -3.593
76 HA LYS 10 HA LYS 10 -4.448 8.076 -0.759
77 HB2 LYS 10 HB2 LYS 10 -2.649 8.348 -3.066
78 HB3 LYS 10 HB1 LYS 10 -2.059 9.120 -1.598
79 HG2 LYS 10 HG2 LYS 10 -2.809 6.757 -0.571
80 HG3 LYS 10 HG1 LYS 10 -2.434 6.254 -2.221
81 HD2 LYS 10 HD2 LYS 10 -0.202 7.172 -2.034
82 HD3 LYS 10 HD1 LYS 10 -0.574 7.819 -0.434
83 HE2 LYS 10 HE2 LYS 10 -0.985 5.458 0.325
84 HE3 LYS 10 HE1 LYS 10 -0.371 4.920 -1.240
85 HZ1 LYS 10 HZ1 LYS 10 1.669 5.048 -0.410
86 HZ2 LYS 10 HZ2 LYS 10 1.078 5.654 1.065
87 HZ3 LYS 10 HZ3 LYS 10 1.479 6.716 -0.193
88 H VAL 11 HN VAL 11 -5.571 10.562 -2.524
89 HA VAL 11 HA VAL 11 -4.354 12.665 -0.909
90 HB VAL 11 HB VAL 11 -5.137 12.553 -3.553
91 HG11 VAL 11 HG11 VAL 11 -7.467 12.767 -3.192
92 HG12 VAL 11 HG12 VAL 11 -6.882 14.337 -3.739
93 HG13 VAL 11 HG13 VAL 11 -7.235 14.075 -2.033
94 HG21 VAL 11 HG21 VAL 11 -3.681 14.180 -2.018
95 HG22 VAL 11 HG22 VAL 11 -5.058 15.230 -2.353
96 HG23 VAL 11 HG23 VAL 11 -4.121 14.551 -3.686
97 H ALA 12 HN ALA 12 -7.213 10.809 -1.367
98 HA ALA 12 HA ALA 12 -8.873 12.478 0.326
99 HB1 ALA 12 HB1 ALA 12 -10.682 11.000 -0.213
100 HB2 ALA 12 HB2 ALA 12 -9.571 9.831 -0.929
101 HB3 ALA 12 HB3 ALA 12 -9.814 11.404 -1.695
102 H CYS 13 HN CYS 13 -6.844 9.710 0.753
103 HA CYS 13 HA CYS 13 -8.230 8.534 2.939
104 HB2 CYS 13 HB2 CYS 13 -5.815 7.753 3.585
105 HB3 CYS 13 HB1 CYS 13 -6.613 7.079 2.147
106 H ALA 14 HN ALA 14 -5.960 11.159 2.652
107 HA ALA 14 HA ALA 14 -5.290 11.354 5.376
108 HB1 ALA 14 HB1 ALA 14 -5.432 13.758 3.585
109 HB2 ALA 14 HB2 ALA 14 -4.213 12.510 3.313
110 HB3 ALA 14 HB3 ALA 14 -4.263 13.379 4.851
111 H ALA 15 HN ALA 15 -8.057 12.333 3.560
112 HA ALA 15 HA ALA 15 -9.063 13.961 5.744
113 HB1 ALA 15 HB1 ALA 15 -11.076 13.890 3.905
114 HB2 ALA 15 HB2 ALA 15 -9.643 13.692 2.886
115 HB3 ALA 15 HB3 ALA 15 -9.788 15.095 3.950
116 H ALA 16 HN ALA 16 -9.538 10.925 4.121
117 HA ALA 16 HA ALA 16 -11.970 10.136 5.311
118 HB1 ALA 16 HB1 ALA 16 -10.227 9.077 3.421
119 HB2 ALA 16 HB2 ALA 16 -11.754 8.379 3.969
120 HB3 ALA 16 HB3 ALA 16 -10.237 7.902 4.737
121 H ILE 17 HN ILE 17 -8.603 9.136 6.116
122 HA ILE 17 HA ILE 17 -9.540 7.883 8.476
123 HB ILE 17 HB ILE 17 -7.556 7.034 7.275
124 HG12 ILE 17 HG12 ILE 17 -8.092 6.743 9.775
125 HG13 ILE 17 HG11 ILE 17 -6.510 6.279 9.166
126 HG21 ILE 17 HG21 ILE 17 -5.452 8.355 8.463
127 HG22 ILE 17 HG22 ILE 17 -6.451 9.646 7.741
128 HG23 ILE 17 HG23 ILE 17 -5.850 8.324 6.710
129 HD11 ILE 17 HD11 ILE 17 -7.191 8.796 10.629
130 HD12 ILE 17 HD12 ILE 17 -5.625 8.458 9.894
131 HD13 ILE 17 HD13 ILE 17 -6.215 7.447 11.211
132 H ALA 18 HN ALA 18 -8.260 11.044 7.772
133 HA ALA 18 HA ALA 18 -7.557 11.931 10.309
134 HB1 ALA 18 HB1 ALA 18 -9.069 13.998 9.030
135 HB2 ALA 18 HB2 ALA 18 -8.048 13.175 7.844
136 HB3 ALA 18 HB3 ALA 18 -7.328 13.886 9.293
137 H GLY 19 HN GLY 19 -10.757 11.490 8.919
138 HA2 GLY 19 HA2 GLY 19 -12.200 12.793 10.998
139 HA3 GLY 19 HA1 GLY 19 -12.859 11.634 9.849
140 H ALA 20 HN ALA 20 -10.782 9.632 10.649
141 HA ALA 20 HA ALA 20 -12.276 8.492 12.828
142 HB1 ALA 20 HB1 ALA 20 -11.767 6.793 11.423
143 HB2 ALA 20 HB2 ALA 20 -10.330 6.712 12.441
144 HB3 ALA 20 HB3 ALA 20 -10.262 7.540 10.884
145 H VAL 21 HN VAL 21 -8.991 9.729 12.318
146 HA VAL 21 HA VAL 21 -8.114 9.024 14.933
147 HB VAL 21 HB VAL 21 -6.331 10.645 14.684
148 HG11 VAL 21 HG11 VAL 21 -6.874 8.575 12.658
149 HG12 VAL 21 HG12 VAL 21 -5.527 8.750 13.794
150 HG13 VAL 21 HG13 VAL 21 -5.552 9.701 12.310
151 HG21 VAL 21 HG21 VAL 21 -6.043 11.819 12.497
152 HG22 VAL 21 HG22 VAL 21 -7.288 12.454 13.575
153 HG23 VAL 21 HG23 VAL 21 -7.745 11.468 12.184
154 H ALA 22 HN ALA 22 -9.694 11.729 13.500
155 HA ALA 22 HA ALA 22 -9.597 13.579 15.598
156 HB1 ALA 22 HB1 ALA 22 -10.678 14.798 14.078
157 HB2 ALA 22 HB2 ALA 22 -12.110 13.780 14.269
158 HB3 ALA 22 HB3 ALA 22 -10.878 13.356 13.074
159 H ALA 23 HN ALA 23 -11.485 10.704 15.083
160 HA ALA 23 HA ALA 23 -13.501 11.249 17.025
161 HB1 ALA 23 HB1 ALA 23 -14.409 9.437 16.091
162 HB2 ALA 23 HB2 ALA 23 -13.089 8.440 16.702
163 HB3 ALA 23 HB3 ALA 23 -12.946 9.218 15.120
164 H CYS 24 HN CYS 24 -10.256 10.060 17.096
165 HA CYS 24 HA CYS 24 -10.491 9.121 19.851
166 HB2 CYS 24 HB2 CYS 24 -8.134 8.961 17.980
167 HB3 CYS 24 HB1 CYS 24 -8.445 7.988 19.404
168 H GLY 25 HN GLY 25 -8.545 11.352 17.861
169 HA2 GLY 25 HA2 GLY 25 -8.169 13.573 18.980
170 HA3 GLY 25 HA1 GLY 25 -7.596 12.617 20.338
171 H GLY 26 HN GLY 26 -6.909 11.308 17.294
172 HA2 GLY 26 HA2 GLY 26 -4.806 12.380 16.134
173 HA3 GLY 26 HA1 GLY 26 -4.070 11.889 17.657
174 H ILE 27 HN ILE 27 -2.872 10.724 15.706
175 HA ILE 27 HA ILE 27 -4.065 8.463 14.527
176 HB ILE 27 HB ILE 27 -1.158 9.143 15.002
177 HG12 ILE 27 HG12 ILE 27 -2.604 10.393 13.321
178 HG13 ILE 27 HG11 ILE 27 -1.151 9.632 12.670
179 HG21 ILE 27 HG21 ILE 27 -0.478 7.230 13.817
180 HG22 ILE 27 HG22 ILE 27 -2.125 6.868 13.280
181 HG23 ILE 27 HG23 ILE 27 -1.667 6.631 14.974
182 HD11 ILE 27 HD11 ILE 27 -3.918 9.182 11.992
183 HD12 ILE 27 HD12 ILE 27 -3.116 7.673 12.460
184 HD13 ILE 27 HD13 ILE 27 -2.449 8.671 11.157
185 H ASP 28 HN ASP 28 -5.133 7.213 15.923
186 HA ASP 28 HA ASP 28 -3.540 5.594 17.806
187 HB2 ASP 28 HB2 ASP 28 -5.457 7.044 18.849
188 HB3 ASP 28 HB1 ASP 28 -6.538 5.955 18.007
189 H LEU 29 HN LEU 29 -3.039 4.298 15.992
190 HA LEU 29 HA LEU 29 -4.647 3.604 14.009
191 HB2 LEU 29 HB2 LEU 29 -3.198 1.622 13.622
192 HB3 LEU 29 HB1 LEU 29 -2.393 3.157 13.767
193 HG LEU 29 HG LEU 29 -2.461 1.073 15.962
194 HD11 LEU 29 HD11 LEU 29 -0.290 0.434 15.321
195 HD12 LEU 29 HD12 LEU 29 -0.113 1.804 14.227
196 HD13 LEU 29 HD13 LEU 29 -1.208 0.483 13.817
197 HD21 LEU 29 HD21 LEU 29 -0.702 3.506 15.668
198 HD22 LEU 29 HD22 LEU 29 -0.780 2.396 17.035
199 HD23 LEU 29 HD23 LEU 29 -2.147 3.449 16.679
200 HA PRO 30 HA PRO 30 -6.608 -0.240 16.021
201 HB2 PRO 30 HB2 PRO 30 -6.789 -0.412 18.705
202 HB3 PRO 30 HB1 PRO 30 -5.403 -1.055 17.817
203 HG2 PRO 30 HG2 PRO 30 -5.654 1.492 19.354
204 HG3 PRO 30 HG1 PRO 30 -4.288 0.368 19.263
205 HD2 PRO 30 HD2 PRO 30 -4.447 2.722 17.854
206 HD3 PRO 30 HD1 PRO 30 -3.476 1.324 17.352
207 H CYS 31 HN CYS 31 -6.864 2.972 16.875
208 HA CYS 31 HA CYS 31 -9.593 2.810 17.870
209 HB2 CYS 31 HB2 CYS 31 -7.852 4.283 18.976
210 HB3 CYS 31 HB1 CYS 31 -7.838 5.228 17.508
211 H VAL 32 HN VAL 32 -7.747 4.660 15.445
212 HA VAL 32 HA VAL 32 -10.043 5.748 14.215
213 HB VAL 32 HB VAL 32 -8.624 6.936 12.917
214 HG11 VAL 32 HG11 VAL 32 -7.570 7.066 15.045
215 HG12 VAL 32 HG12 VAL 32 -6.338 7.057 13.774
216 HG13 VAL 32 HG13 VAL 32 -6.640 5.595 14.712
217 HG21 VAL 32 HG21 VAL 32 -7.022 4.478 12.301
218 HG22 VAL 32 HG22 VAL 32 -6.805 6.095 11.597
219 HG23 VAL 32 HG23 VAL 32 -8.300 5.191 11.290
220 H LEU 33 HN LEU 33 -8.398 2.684 13.702
221 HA LEU 33 HA LEU 33 -9.532 2.214 11.157
222 HB2 LEU 33 HB2 LEU 33 -7.582 1.030 12.505
223 HB3 LEU 33 HB1 LEU 33 -8.885 -0.075 12.912
224 HG LEU 33 HG LEU 33 -9.273 0.076 10.270
225 HD11 LEU 33 HD11 LEU 33 -7.280 0.239 9.030
226 HD12 LEU 33 HD12 LEU 33 -6.278 0.221 10.485
227 HD13 LEU 33 HD13 LEU 33 -7.274 1.631 10.113
228 HD21 LEU 33 HD21 LEU 33 -7.741 -1.686 12.047
229 HD22 LEU 33 HD22 LEU 33 -7.490 -1.913 10.314
230 HD23 LEU 33 HD23 LEU 33 -9.112 -2.040 10.996
231 H ALA 34 HN ALA 34 -11.146 2.577 13.988
232 HA ALA 34 HA ALA 34 -13.048 0.406 13.564
233 HB1 ALA 34 HB1 ALA 34 -14.230 1.420 15.524
234 HB2 ALA 34 HB2 ALA 34 -12.947 2.624 15.612
235 HB3 ALA 34 HB3 ALA 34 -12.574 0.921 15.867
236 H ALA 35 HN ALA 35 -12.709 3.853 13.170
237 HA ALA 35 HA ALA 35 -15.396 4.086 12.026
238 HB1 ALA 35 HB1 ALA 35 -14.056 6.561 11.917
239 HB2 ALA 35 HB2 ALA 35 -13.680 5.848 13.486
240 HB3 ALA 35 HB3 ALA 35 -15.362 6.081 13.004
241 H LEU 36 HN LEU 36 -11.986 4.414 11.267
242 HA LEU 36 HA LEU 36 -12.321 5.356 8.609
243 HB2 LEU 36 HB2 LEU 36 -10.197 5.758 9.576
244 HB3 LEU 36 HB1 LEU 36 -10.028 4.083 10.090
245 HG LEU 36 HG LEU 36 -10.027 3.487 7.615
246 HD11 LEU 36 HD11 LEU 36 -10.237 6.367 7.506
247 HD12 LEU 36 HD12 LEU 36 -10.602 5.116 6.286
248 HD13 LEU 36 HD13 LEU 36 -8.947 5.699 6.494
249 HD21 LEU 36 HD21 LEU 36 -7.659 5.176 8.197
250 HD22 LEU 36 HD22 LEU 36 -7.779 3.575 7.430
251 HD23 LEU 36 HD23 LEU 36 -7.979 3.741 9.191
252 H LYS 37 HN LYS 37 -12.650 2.263 10.077
253 HA LYS 37 HA LYS 37 -11.749 0.738 7.922
254 HB2 LYS 37 HB2 LYS 37 -12.280 -0.140 10.247
255 HB3 LYS 37 HB1 LYS 37 -13.981 -0.110 9.794
256 HG2 LYS 37 HG2 LYS 37 -13.696 -1.789 8.173
257 HG3 LYS 37 HG1 LYS 37 -11.939 -1.633 8.203
258 HD2 LYS 37 HD2 LYS 37 -13.540 -2.526 10.593
259 HD3 LYS 37 HD1 LYS 37 -12.924 -3.654 9.383
260 HE2 LYS 37 HE2 LYS 37 -10.633 -2.732 9.823
261 HE3 LYS 37 HE1 LYS 37 -11.324 -1.816 11.163
262 HZ1 LYS 37 HZ1 LYS 37 -12.096 -4.025 12.062
263 HZ2 LYS 37 HZ2 LYS 37 -10.424 -3.782 12.071
264 HZ3 LYS 37 HZ3 LYS 37 -11.119 -4.770 10.888
265 H ALA 38 HN ALA 38 -14.430 2.767 8.118
266 HA ALA 38 HA ALA 38 -16.243 1.472 6.350
267 HB1 ALA 38 HB1 ALA 38 -16.803 3.458 7.793
268 HB2 ALA 38 HB2 ALA 38 -17.305 3.612 6.112
269 HB3 ALA 38 HB3 ALA 38 -15.865 4.453 6.679
270 H ALA 39 HN ALA 39 -13.283 3.157 6.063
271 HA ALA 39 HA ALA 39 -13.378 3.539 3.180
272 HB1 ALA 39 HB1 ALA 39 -11.572 4.881 3.489
273 HB2 ALA 39 HB2 ALA 39 -10.769 3.700 4.540
274 HB3 ALA 39 HB3 ALA 39 -11.990 4.793 5.202
275 H GLU 40 HN GLU 40 -13.879 1.226 2.945
276 HA GLU 40 HA GLU 40 -12.420 -0.923 3.727
277 HB2 GLU 40 HB2 GLU 40 -13.217 -1.971 1.535
278 HB3 GLU 40 HB1 GLU 40 -14.433 -1.352 2.642
279 HG2 GLU 40 HG2 GLU 40 -14.580 0.703 1.297
280 HG3 GLU 40 HG1 GLU 40 -13.406 0.026 0.170
281 H GLY 41 HN GLY 41 -10.213 -0.512 3.790
282 HA2 GLY 41 HA2 GLY 41 -8.179 -1.204 2.858
283 HA3 GLY 41 HA1 GLY 41 -8.895 -1.080 1.263
284 H CYS 42 HN CYS 42 -9.362 1.782 3.264
285 HA CYS 42 HA CYS 42 -7.090 2.881 1.754
286 HB2 CYS 42 HB2 CYS 42 -9.718 3.886 1.735
287 HB3 CYS 42 HB1 CYS 42 -8.772 4.999 2.714
288 H ALA 43 HN ALA 43 -7.822 1.609 4.383
289 HA ALA 43 HA ALA 43 -6.826 3.412 6.368
290 HB1 ALA 43 HB1 ALA 43 -8.408 1.386 6.615
291 HB2 ALA 43 HB2 ALA 43 -7.156 1.628 7.835
292 HB3 ALA 43 HB3 ALA 43 -6.922 0.427 6.569
293 H SER 44 HN SER 44 -5.715 1.362 3.934
294 HA SER 44 HA SER 44 -3.146 0.648 4.851
295 HB2 SER 44 HB2 SER 44 -3.972 -0.578 2.988
296 HB3 SER 44 HB1 SER 44 -4.457 0.879 2.116
297 HG SER 44 HG SER 44 -2.189 -0.468 1.887
298 H CYS 45 HN CYS 45 -4.548 3.555 3.725
299 HA CYS 45 HA CYS 45 -2.051 4.886 3.019
300 HB2 CYS 45 HB2 CYS 45 -4.349 5.342 1.964
301 HB3 CYS 45 HB1 CYS 45 -4.752 6.154 3.478
302 H PHE 46 HN PHE 46 -3.789 4.128 5.730
303 HA PHE 46 HA PHE 46 -3.044 6.446 7.304
304 HB2 PHE 46 HB2 PHE 46 -5.205 5.889 7.810
305 HB3 PHE 46 HB1 PHE 46 -4.952 4.178 7.508
306 HD1 PHE 46 HD1 PHE 46 -4.462 6.879 10.041
307 HD2 PHE 46 HD2 PHE 46 -4.554 2.697 9.237
308 HE1 PHE 46 HE1 PHE 46 -4.438 6.454 12.342
309 HE2 PHE 46 HE2 PHE 46 -4.535 2.262 11.617
310 HZ PHE 46 HZ PHE 46 -4.483 4.109 13.203
311 H CYS 47 HN CYS 47 -2.844 2.877 7.909
312 HA CYS 47 HA CYS 47 -0.642 3.427 9.702
313 HB2 CYS 47 HB2 CYS 47 -0.917 1.355 10.586
314 HB3 CYS 47 HB1 CYS 47 -2.491 1.535 9.832
315 H GLU 48 HN GLU 48 -0.318 3.790 6.652
316 HA GLU 48 HA GLU 48 1.690 1.907 5.910
317 HB2 GLU 48 HB2 GLU 48 2.155 3.374 4.027
318 HB3 GLU 48 HB1 GLU 48 0.421 3.184 4.230
319 HG2 GLU 48 HG2 GLU 48 0.217 5.375 5.156
320 HG3 GLU 48 HG1 GLU 48 1.971 5.564 5.223
321 H ASP 49 HN ASP 49 1.668 4.987 7.541
322 HA ASP 49 HA ASP 49 4.530 5.319 7.564
323 HB2 ASP 49 HB2 ASP 49 2.949 7.242 7.662
324 HB3 ASP 49 HB1 ASP 49 2.387 6.678 9.230
325 H HIS 50 HN HIS 50 2.045 4.529 9.953
326 HA HIS 50 HA HIS 50 4.096 3.455 11.746
327 HB2 HIS 50 HB2 HIS 50 2.015 3.366 13.336
328 HB3 HIS 50 HB1 HIS 50 2.820 4.899 13.032
329 HD1 HIS 50 HD1 HIS 50 -0.231 2.958 11.937
330 HD2 HIS 50 HD2 HIS 50 1.271 6.826 11.911
331 HE1 HIS 50 HE1 HIS 50 -2.121 4.414 11.110
332 HE2 HIS 50 HE2 HIS 50 -1.084 6.704 10.858
333 H CYS 51 HN CYS 51 4.108 1.782 9.992
334 HA CYS 51 HA CYS 51 2.027 -0.206 10.025
335 HB2 CYS 51 HB2 CYS 51 3.433 0.335 7.999
336 HB3 CYS 51 HB1 CYS 51 4.793 -0.425 8.813
337 H HIS 52 HN HIS 52 2.377 -0.191 12.493
338 HA HIS 52 HA HIS 52 3.781 -2.628 13.179
339 HB2 HIS 52 HB2 HIS 52 5.143 -1.706 14.934
340 HB3 HIS 52 HB1 HIS 52 5.488 -0.781 13.478
341 HD1 HIS 52 HD1 HIS 52 4.106 1.591 13.354
342 HD2 HIS 52 HD2 HIS 52 4.526 -0.176 17.092
343 HE1 HIS 52 HE1 HIS 52 3.619 3.414 15.020
344 HE2 HIS 52 HE2 HIS 52 3.685 2.268 17.271
345 H GLY 53 HN GLY 53 3.567 -2.665 15.834
346 HA2 GLY 53 HA2 GLY 53 2.107 -3.006 17.558
347 HA3 GLY 53 HA1 GLY 53 1.379 -1.488 17.067
348 H VAL 54 HN VAL 54 -0.654 -1.529 16.354
349 HA VAL 54 HA VAL 54 -1.893 -4.124 16.033
350 HB VAL 54 HB VAL 54 -2.709 -2.174 17.571
351 HG11 VAL 54 HG11 VAL 54 -3.694 -1.370 14.848
352 HG12 VAL 54 HG12 VAL 54 -2.735 -0.409 15.992
353 HG13 VAL 54 HG13 VAL 54 -4.417 -0.793 16.357
354 HG21 VAL 54 HG21 VAL 54 -3.968 -4.374 16.447
355 HG22 VAL 54 HG22 VAL 54 -5.080 -3.037 16.146
356 HG23 VAL 54 HG23 VAL 54 -4.557 -3.395 17.793
357 H CYS 55 HN CYS 55 -0.471 -1.906 14.029
358 HA CYS 55 HA CYS 55 -2.419 -1.612 11.958
359 HB2 CYS 55 HB2 CYS 55 -0.729 -0.065 11.737
360 HB3 CYS 55 HB1 CYS 55 0.531 -1.198 12.199
361 H LYS 56 HN LYS 56 -0.691 -4.254 13.095
362 HA LYS 56 HA LYS 56 -0.729 -5.718 10.590
363 HB2 LYS 56 HB2 LYS 56 0.999 -5.954 12.547
364 HB3 LYS 56 HB1 LYS 56 -0.238 -6.975 13.269
365 HG2 LYS 56 HG2 LYS 56 1.406 -8.287 12.017
366 HG3 LYS 56 HG1 LYS 56 -0.205 -8.424 11.304
367 HD2 LYS 56 HD2 LYS 56 0.424 -6.635 9.689
368 HD3 LYS 56 HD1 LYS 56 2.061 -6.673 10.344
369 HE2 LYS 56 HE2 LYS 56 2.303 -8.990 9.651
370 HE3 LYS 56 HE1 LYS 56 0.641 -9.009 9.063
371 HZ1 LYS 56 HZ1 LYS 56 1.855 -8.620 7.151
372 HZ2 LYS 56 HZ2 LYS 56 2.999 -7.633 7.933
373 HZ3 LYS 56 HZ3 LYS 56 1.441 -7.038 7.604
374 H ASP 57 HN ASP 57 -2.485 -5.393 13.597
375 HA ASP 57 HA ASP 57 -4.390 -7.508 13.160
376 HB2 ASP 57 HB2 ASP 57 -3.792 -6.128 15.378
377 HB3 ASP 57 HB1 ASP 57 -5.024 -5.047 14.754
378 H LEU 58 HN LEU 58 -4.007 -4.138 12.586
379 HA LEU 58 HA LEU 58 -6.457 -3.294 11.627
380 HB2 LEU 58 HB2 LEU 58 -3.657 -2.535 11.744
381 HB3 LEU 58 HB1 LEU 58 -4.361 -2.026 10.267
382 HG LEU 58 HG LEU 58 -5.981 -0.626 11.485
383 HD11 LEU 58 HD11 LEU 58 -5.329 -0.271 13.953
384 HD12 LEU 58 HD12 LEU 58 -4.679 -1.917 13.853
385 HD13 LEU 58 HD13 LEU 58 -6.398 -1.614 13.535
386 HD21 LEU 58 HD21 LEU 58 -3.325 -0.021 12.665
387 HD22 LEU 58 HD22 LEU 58 -4.515 1.060 11.939
388 HD23 LEU 58 HD23 LEU 58 -3.533 0.016 10.908
389 H HIS 59 HN HIS 59 -3.773 -5.026 10.259
390 HA HIS 59 HA HIS 59 -3.333 -6.144 8.362
391 HB2 HIS 59 HB2 HIS 59 -5.799 -6.967 9.114
392 HB3 HIS 59 HB1 HIS 59 -6.151 -6.353 7.499
393 HD1 HIS 59 HD1 HIS 59 -3.511 -8.599 9.083
394 HD2 HIS 59 HD2 HIS 59 -5.781 -8.248 5.614
395 HE1 HIS 59 HE1 HIS 59 -2.859 -10.562 7.644
396 HE2 HIS 59 HE2 HIS 59 -4.226 -10.320 5.534
397 H LEU 60 HN LEU 60 -2.612 -3.875 7.832
398 HA LEU 60 HA LEU 60 -4.020 -2.943 5.426
399 HB2 LEU 60 HB2 LEU 60 -2.248 -1.312 7.243
400 HB3 LEU 60 HB1 LEU 60 -3.279 -0.718 5.947
401 HG LEU 60 HG LEU 60 -4.180 -1.937 8.557
402 HD11 LEU 60 HD11 LEU 60 -5.209 0.286 8.887
403 HD12 LEU 60 HD12 LEU 60 -4.339 0.849 7.460
404 HD13 LEU 60 HD13 LEU 60 -3.448 0.292 8.875
405 HD21 LEU 60 HD21 LEU 60 -6.341 -1.970 7.854
406 HD22 LEU 60 HD22 LEU 60 -5.536 -2.344 6.331
407 HD23 LEU 60 HD23 LEU 60 -6.091 -0.701 6.650
408 H CYS 61 HN CYS 61 -0.769 -3.285 6.883
409 HA CYS 61 HA CYS 61 0.275 -3.464 4.139
410 HB2 CYS 61 HB2 CYS 61 2.517 -2.800 5.395
411 HB3 CYS 61 HB1 CYS 61 1.395 -1.585 4.797
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 -1.270 0.880 -7.229
2 H2 ALA 1 HT2 ALA 1 -2.905 0.583 -6.784
3 H3 ALA 1 HT3 ALA 1 -2.137 -0.410 -7.959
4 HA ALA 1 HA ALA 1 -2.399 -1.353 -5.706
5 HB1 ALA 1 HB1 ALA 1 -0.495 -1.723 -7.605
6 HB2 ALA 1 HB2 ALA 1 -0.631 -2.683 -6.133
7 HB3 ALA 1 HB3 ALA 1 0.496 -1.328 -6.200
8 H MET 2 HN MET 2 -0.445 -1.622 -3.910
9 HA MET 2 HA MET 2 0.359 -0.789 -1.958
10 HB2 MET 2 HB2 MET 2 0.849 1.672 -3.650
11 HB3 MET 2 HB1 MET 2 1.485 1.432 -2.029
12 HG2 MET 2 HG2 MET 2 2.094 -0.289 -4.423
13 HG3 MET 2 HG1 MET 2 3.148 0.956 -3.751
14 HE1 MET 2 HE1 MET 2 5.391 -1.473 -2.744
15 HE2 MET 2 HE2 MET 2 4.585 -0.980 -4.233
16 HE3 MET 2 HE3 MET 2 4.342 -2.607 -3.596
17 H GLY 3 HN GLY 3 -2.220 -0.899 -1.863
18 HA2 GLY 3 HA2 GLY 3 -3.674 0.045 -0.184
19 HA3 GLY 3 HA1 GLY 3 -2.988 1.617 -0.553
20 H LYS 4 HN LYS 4 -5.770 0.955 -0.466
21 HA LYS 4 HA LYS 4 -6.721 0.784 -3.176
22 HB2 LYS 4 HB2 LYS 4 -7.919 -0.018 -1.034
23 HB3 LYS 4 HB1 LYS 4 -8.336 1.685 -0.772
24 HG2 LYS 4 HG2 LYS 4 -9.616 1.738 -2.782
25 HG3 LYS 4 HG1 LYS 4 -9.024 0.155 -3.289
26 HD2 LYS 4 HD2 LYS 4 -10.499 0.440 -0.700
27 HD3 LYS 4 HD1 LYS 4 -11.394 0.387 -2.219
28 HE2 LYS 4 HE2 LYS 4 -11.270 -1.833 -1.278
29 HE3 LYS 4 HE1 LYS 4 -10.316 -1.762 -2.757
30 HZ1 LYS 4 HZ1 LYS 4 -8.368 -2.009 -1.624
31 HZ2 LYS 4 HZ2 LYS 4 -9.395 -2.886 -0.595
32 HZ3 LYS 4 HZ3 LYS 4 -8.950 -1.298 -0.200
33 H CYS 5 HN CYS 5 -5.163 3.031 -1.550
34 HA CYS 5 HA CYS 5 -6.546 5.277 -2.821
35 HB2 CYS 5 HB2 CYS 5 -5.317 4.914 -0.130
36 HB3 CYS 5 HB1 CYS 5 -5.260 6.522 -0.853
37 H SER 6 HN SER 6 -5.379 5.173 -4.713
38 HA SER 6 HA SER 6 -2.530 5.064 -4.800
39 HB2 SER 6 HB2 SER 6 -4.475 5.879 -6.974
40 HB3 SER 6 HB1 SER 6 -2.789 5.409 -7.203
41 HG SER 6 HG SER 6 -4.031 3.617 -7.610
42 H VAL 7 HN VAL 7 -1.695 6.917 -6.573
43 HA VAL 7 HA VAL 7 -0.804 9.021 -5.258
44 HB VAL 7 HB VAL 7 -0.770 10.264 -7.458
45 HG11 VAL 7 HG11 VAL 7 1.194 9.187 -7.328
46 HG12 VAL 7 HG12 VAL 7 0.475 8.034 -8.454
47 HG13 VAL 7 HG13 VAL 7 0.435 7.715 -6.719
48 HG21 VAL 7 HG21 VAL 7 -2.887 9.012 -8.253
49 HG22 VAL 7 HG22 VAL 7 -1.763 7.716 -8.663
50 HG23 VAL 7 HG23 VAL 7 -1.591 9.304 -9.410
51 H LEU 8 HN LEU 8 -3.968 9.187 -6.929
52 HA LEU 8 HA LEU 8 -4.421 11.892 -6.082
53 HB2 LEU 8 HB2 LEU 8 -5.386 10.756 -8.148
54 HB3 LEU 8 HB1 LEU 8 -6.458 9.882 -7.073
55 HG LEU 8 HG LEU 8 -7.433 11.892 -8.261
56 HD11 LEU 8 HD11 LEU 8 -8.550 10.890 -6.388
57 HD12 LEU 8 HD12 LEU 8 -8.694 12.646 -6.290
58 HD13 LEU 8 HD13 LEU 8 -7.542 11.795 -5.259
59 HD21 LEU 8 HD21 LEU 8 -5.652 13.346 -6.317
60 HD22 LEU 8 HD22 LEU 8 -7.014 14.082 -7.160
61 HD23 LEU 8 HD23 LEU 8 -5.641 13.463 -8.077
62 H LYS 9 HN LYS 9 -5.776 8.735 -5.113
63 HA LYS 9 HA LYS 9 -7.277 9.892 -3.015
64 HB2 LYS 9 HB2 LYS 9 -6.662 7.092 -3.835
65 HB3 LYS 9 HB1 LYS 9 -7.406 7.408 -2.278
66 HG2 LYS 9 HG2 LYS 9 -9.162 8.728 -3.499
67 HG3 LYS 9 HG1 LYS 9 -8.471 8.099 -4.996
68 HD2 LYS 9 HD2 LYS 9 -9.012 5.859 -4.397
69 HD3 LYS 9 HD1 LYS 9 -9.435 6.339 -2.751
70 HE2 LYS 9 HE2 LYS 9 -11.285 7.696 -3.654
71 HE3 LYS 9 HE1 LYS 9 -10.884 7.134 -5.275
72 HZ1 LYS 9 HZ1 LYS 9 -11.186 4.911 -3.564
73 HZ2 LYS 9 HZ2 LYS 9 -12.095 5.324 -4.936
74 HZ3 LYS 9 HZ3 LYS 9 -12.547 5.917 -3.414
75 H LYS 10 HN LYS 10 -3.990 9.524 -3.208
76 HA LYS 10 HA LYS 10 -3.481 8.715 -0.478
77 HB2 LYS 10 HB2 LYS 10 -1.738 9.977 -2.605
78 HB3 LYS 10 HB1 LYS 10 -1.170 9.723 -0.962
79 HG2 LYS 10 HG2 LYS 10 -1.417 7.346 -1.179
80 HG3 LYS 10 HG1 LYS 10 -2.180 7.530 -2.761
81 HD2 LYS 10 HD2 LYS 10 0.106 6.884 -3.088
82 HD3 LYS 10 HD1 LYS 10 -0.073 8.566 -3.584
83 HE2 LYS 10 HE2 LYS 10 0.823 9.287 -1.403
84 HE3 LYS 10 HE1 LYS 10 1.046 7.591 -0.959
85 HZ1 LYS 10 HZ1 LYS 10 2.669 9.280 -2.631
86 HZ2 LYS 10 HZ2 LYS 10 2.325 7.781 -3.344
87 HZ3 LYS 10 HZ3 LYS 10 3.069 7.831 -1.821
88 H VAL 11 HN VAL 11 -4.566 11.398 -2.102
89 HA VAL 11 HA VAL 11 -3.770 13.370 -0.111
90 HB VAL 11 HB VAL 11 -4.418 13.296 -2.909
91 HG11 VAL 11 HG11 VAL 11 -5.971 15.103 -3.170
92 HG12 VAL 11 HG12 VAL 11 -6.152 15.236 -1.417
93 HG13 VAL 11 HG13 VAL 11 -6.700 13.782 -2.258
94 HG21 VAL 11 HG21 VAL 11 -2.864 14.815 -2.894
95 HG22 VAL 11 HG22 VAL 11 -2.912 14.852 -1.130
96 HG23 VAL 11 HG23 VAL 11 -3.930 15.951 -2.062
97 H ALA 12 HN ALA 12 -6.289 11.307 -1.147
98 HA ALA 12 HA ALA 12 -8.356 12.639 0.393
99 HB1 ALA 12 HB1 ALA 12 -8.296 10.600 -1.735
100 HB2 ALA 12 HB2 ALA 12 -9.377 11.972 -1.500
101 HB3 ALA 12 HB3 ALA 12 -9.616 10.492 -0.572
102 H CYS 13 HN CYS 13 -6.011 10.238 1.087
103 HA CYS 13 HA CYS 13 -7.604 8.493 2.644
104 HB2 CYS 13 HB2 CYS 13 -4.869 9.033 3.671
105 HB3 CYS 13 HB1 CYS 13 -5.705 7.522 3.404
106 H ALA 14 HN ALA 14 -6.254 11.625 3.123
107 HA ALA 14 HA ALA 14 -6.523 11.734 5.939
108 HB1 ALA 14 HB1 ALA 14 -6.700 14.136 4.136
109 HB2 ALA 14 HB2 ALA 14 -5.172 13.280 4.357
110 HB3 ALA 14 HB3 ALA 14 -5.987 14.010 5.745
111 H ALA 15 HN ALA 15 -8.629 12.580 3.223
112 HA ALA 15 HA ALA 15 -10.698 13.724 4.780
113 HB1 ALA 15 HB1 ALA 15 -11.478 12.353 2.299
114 HB2 ALA 15 HB2 ALA 15 -10.196 13.552 2.126
115 HB3 ALA 15 HB3 ALA 15 -11.755 14.020 2.809
116 H ALA 16 HN ALA 16 -9.759 10.503 4.078
117 HA ALA 16 HA ALA 16 -12.284 9.378 4.940
118 HB1 ALA 16 HB1 ALA 16 -10.744 8.570 2.982
119 HB2 ALA 16 HB2 ALA 16 -11.647 7.413 3.963
120 HB3 ALA 16 HB3 ALA 16 -9.932 7.685 4.272
121 H ILE 17 HN ILE 17 -8.846 9.149 5.940
122 HA ILE 17 HA ILE 17 -9.735 7.816 8.342
123 HB ILE 17 HB ILE 17 -7.817 6.865 7.113
124 HG12 ILE 17 HG12 ILE 17 -8.292 6.762 9.667
125 HG13 ILE 17 HG11 ILE 17 -6.783 6.137 9.021
126 HG21 ILE 17 HG21 ILE 17 -6.701 9.474 7.322
127 HG22 ILE 17 HG22 ILE 17 -6.059 8.054 6.471
128 HG23 ILE 17 HG23 ILE 17 -5.689 8.311 8.214
129 HD11 ILE 17 HD11 ILE 17 -5.976 7.354 10.752
130 HD12 ILE 17 HD12 ILE 17 -7.271 8.549 10.656
131 HD13 ILE 17 HD13 ILE 17 -5.950 8.582 9.487
132 H ALA 18 HN ALA 18 -8.130 10.898 7.552
133 HA ALA 18 HA ALA 18 -7.407 11.613 10.140
134 HB1 ALA 18 HB1 ALA 18 -8.030 14.034 9.301
135 HB2 ALA 18 HB2 ALA 18 -8.120 13.207 7.744
136 HB3 ALA 18 HB3 ALA 18 -6.623 13.170 8.680
137 H GLY 19 HN GLY 19 -10.559 11.553 8.668
138 HA2 GLY 19 HA2 GLY 19 -11.900 13.059 10.698
139 HA3 GLY 19 HA1 GLY 19 -12.663 11.985 9.528
140 H ALA 20 HN ALA 20 -10.870 9.755 10.349
141 HA ALA 20 HA ALA 20 -12.501 8.711 12.460
142 HB1 ALA 20 HB1 ALA 20 -10.419 6.942 12.143
143 HB2 ALA 20 HB2 ALA 20 -10.589 7.651 10.540
144 HB3 ALA 20 HB3 ALA 20 -11.968 6.866 11.310
145 H VAL 21 HN VAL 21 -9.162 9.839 12.138
146 HA VAL 21 HA VAL 21 -8.432 9.087 14.799
147 HB VAL 21 HB VAL 21 -6.508 10.448 14.612
148 HG11 VAL 21 HG11 VAL 21 -6.679 8.332 13.205
149 HG12 VAL 21 HG12 VAL 21 -5.397 9.477 12.797
150 HG13 VAL 21 HG13 VAL 21 -6.869 9.421 11.831
151 HG21 VAL 21 HG21 VAL 21 -7.984 11.866 12.499
152 HG22 VAL 21 HG22 VAL 21 -6.227 11.773 12.378
153 HG23 VAL 21 HG23 VAL 21 -6.978 12.490 13.807
154 H ALA 22 HN ALA 22 -9.711 11.892 13.251
155 HA ALA 22 HA ALA 22 -9.660 13.717 15.370
156 HB1 ALA 22 HB1 ALA 22 -11.908 14.437 14.038
157 HB2 ALA 22 HB2 ALA 22 -11.095 13.459 12.809
158 HB3 ALA 22 HB3 ALA 22 -10.273 14.854 13.523
159 H ALA 23 HN ALA 23 -11.628 10.948 14.724
160 HA ALA 23 HA ALA 23 -13.699 11.675 16.580
161 HB1 ALA 23 HB1 ALA 23 -14.817 10.169 15.393
162 HB2 ALA 23 HB2 ALA 23 -13.806 8.909 16.098
163 HB3 ALA 23 HB3 ALA 23 -13.339 9.665 14.568
164 H CYS 24 HN CYS 24 -10.714 9.804 16.618
165 HA CYS 24 HA CYS 24 -11.318 8.850 19.300
166 HB2 CYS 24 HB2 CYS 24 -9.138 8.224 17.328
167 HB3 CYS 24 HB1 CYS 24 -9.134 7.624 18.974
168 H GLY 25 HN GLY 25 -8.496 10.497 17.729
169 HA2 GLY 25 HA2 GLY 25 -8.301 12.505 19.650
170 HA3 GLY 25 HA1 GLY 25 -7.348 11.160 20.240
171 H GLY 26 HN GLY 26 -6.305 10.277 17.706
172 HA2 GLY 26 HA2 GLY 26 -5.192 12.076 16.004
173 HA3 GLY 26 HA1 GLY 26 -4.215 12.269 17.450
174 H ILE 27 HN ILE 27 -4.948 10.305 14.742
175 HA ILE 27 HA ILE 27 -4.214 8.332 13.937
176 HB ILE 27 HB ILE 27 -1.598 9.637 14.715
177 HG12 ILE 27 HG12 ILE 27 -3.168 10.793 13.139
178 HG13 ILE 27 HG11 ILE 27 -1.616 10.363 12.410
179 HG21 ILE 27 HG21 ILE 27 -0.482 8.165 13.202
180 HG22 ILE 27 HG22 ILE 27 -2.010 7.447 12.672
181 HG23 ILE 27 HG23 ILE 27 -1.400 7.138 14.305
182 HD11 ILE 27 HD11 ILE 27 -2.609 9.099 10.874
183 HD12 ILE 27 HD12 ILE 27 -4.142 9.766 11.431
184 HD13 ILE 27 HD13 ILE 27 -3.559 8.231 12.097
185 H ASP 28 HN ASP 28 -5.329 7.824 16.224
186 HA ASP 28 HA ASP 28 -3.612 6.037 17.776
187 HB2 ASP 28 HB2 ASP 28 -6.357 5.666 18.432
188 HB3 ASP 28 HB1 ASP 28 -5.138 6.488 19.399
189 H LEU 29 HN LEU 29 -3.127 4.962 15.781
190 HA LEU 29 HA LEU 29 -4.698 4.099 13.895
191 HB2 LEU 29 HB2 LEU 29 -3.107 2.200 13.498
192 HB3 LEU 29 HB1 LEU 29 -2.463 3.814 13.535
193 HG LEU 29 HG LEU 29 -2.222 1.893 15.856
194 HD11 LEU 29 HD11 LEU 29 0.258 2.367 14.592
195 HD12 LEU 29 HD12 LEU 29 -0.885 1.871 13.341
196 HD13 LEU 29 HD13 LEU 29 -0.615 0.846 14.749
197 HD21 LEU 29 HD21 LEU 29 -1.629 4.682 15.529
198 HD22 LEU 29 HD22 LEU 29 -0.135 3.779 15.768
199 HD23 LEU 29 HD23 LEU 29 -1.432 3.662 16.957
200 HA PRO 30 HA PRO 30 -6.169 -0.006 15.862
201 HB2 PRO 30 HB2 PRO 30 -6.364 -0.150 18.566
202 HB3 PRO 30 HB1 PRO 30 -4.938 -0.699 17.676
203 HG2 PRO 30 HG2 PRO 30 -5.373 1.841 19.185
204 HG3 PRO 30 HG1 PRO 30 -3.922 0.829 19.084
205 HD2 PRO 30 HD2 PRO 30 -4.265 3.143 17.663
206 HD3 PRO 30 HD1 PRO 30 -3.226 1.806 17.135
207 H CYS 31 HN CYS 31 -6.842 3.169 16.846
208 HA CYS 31 HA CYS 31 -9.590 2.569 17.623
209 HB2 CYS 31 HB2 CYS 31 -8.086 4.079 18.997
210 HB3 CYS 31 HB1 CYS 31 -8.225 5.247 17.700
211 H VAL 32 HN VAL 32 -7.787 4.767 15.460
212 HA VAL 32 HA VAL 32 -10.055 5.860 14.192
213 HB VAL 32 HB VAL 32 -8.607 7.029 12.869
214 HG11 VAL 32 HG11 VAL 32 -6.102 6.459 13.744
215 HG12 VAL 32 HG12 VAL 32 -7.113 5.894 15.074
216 HG13 VAL 32 HG13 VAL 32 -7.250 7.563 14.518
217 HG21 VAL 32 HG21 VAL 32 -8.335 5.302 11.246
218 HG22 VAL 32 HG22 VAL 32 -7.104 4.520 12.260
219 HG23 VAL 32 HG23 VAL 32 -6.796 6.124 11.564
220 H LEU 33 HN LEU 33 -8.205 2.933 13.520
221 HA LEU 33 HA LEU 33 -9.536 2.386 11.084
222 HB2 LEU 33 HB2 LEU 33 -7.262 1.530 11.967
223 HB3 LEU 33 HB1 LEU 33 -8.222 0.298 12.773
224 HG LEU 33 HG LEU 33 -8.922 0.566 9.961
225 HD11 LEU 33 HD11 LEU 33 -6.190 -0.564 10.466
226 HD12 LEU 33 HD12 LEU 33 -6.415 1.139 10.057
227 HD13 LEU 33 HD13 LEU 33 -6.955 -0.112 8.938
228 HD21 LEU 33 HD21 LEU 33 -7.768 -1.893 11.114
229 HD22 LEU 33 HD22 LEU 33 -9.228 -1.661 10.151
230 HD23 LEU 33 HD23 LEU 33 -9.233 -1.268 11.870
231 H ALA 34 HN ALA 34 -10.640 2.194 14.270
232 HA ALA 34 HA ALA 34 -12.280 -0.142 13.914
233 HB1 ALA 34 HB1 ALA 34 -12.096 2.002 15.994
234 HB2 ALA 34 HB2 ALA 34 -11.948 0.253 16.170
235 HB3 ALA 34 HB3 ALA 34 -13.536 0.986 15.929
236 H ALA 35 HN ALA 35 -12.474 3.219 13.215
237 HA ALA 35 HA ALA 35 -15.291 2.982 12.395
238 HB1 ALA 35 HB1 ALA 35 -15.234 4.883 13.680
239 HB2 ALA 35 HB2 ALA 35 -14.877 5.564 12.092
240 HB3 ALA 35 HB3 ALA 35 -13.569 5.261 13.232
241 H LEU 36 HN LEU 36 -12.048 3.807 11.393
242 HA LEU 36 HA LEU 36 -12.653 4.553 8.720
243 HB2 LEU 36 HB2 LEU 36 -10.590 5.320 9.662
244 HB3 LEU 36 HB1 LEU 36 -10.098 3.679 10.065
245 HG LEU 36 HG LEU 36 -10.211 3.232 7.541
246 HD11 LEU 36 HD11 LEU 36 -10.251 6.211 7.625
247 HD12 LEU 36 HD12 LEU 36 -11.363 5.088 6.803
248 HD13 LEU 36 HD13 LEU 36 -9.705 5.276 6.215
249 HD21 LEU 36 HD21 LEU 36 -8.049 5.110 7.773
250 HD22 LEU 36 HD22 LEU 36 -8.039 3.362 7.509
251 HD23 LEU 36 HD23 LEU 36 -8.143 4.008 9.160
252 H LYS 37 HN LYS 37 -12.434 1.503 10.296
253 HA LYS 37 HA LYS 37 -11.410 0.120 8.061
254 HB2 LYS 37 HB2 LYS 37 -11.575 -0.758 10.497
255 HB3 LYS 37 HB1 LYS 37 -13.255 -1.130 10.132
256 HG2 LYS 37 HG2 LYS 37 -12.597 -2.696 8.417
257 HG3 LYS 37 HG1 LYS 37 -10.903 -2.241 8.615
258 HD2 LYS 37 HD2 LYS 37 -10.903 -3.096 10.886
259 HD3 LYS 37 HD1 LYS 37 -12.617 -3.500 10.759
260 HE2 LYS 37 HE2 LYS 37 -12.112 -5.122 8.998
261 HE3 LYS 37 HE1 LYS 37 -10.407 -4.684 9.069
262 HZ1 LYS 37 HZ1 LYS 37 -12.017 -6.155 11.076
263 HZ2 LYS 37 HZ2 LYS 37 -10.567 -5.388 11.509
264 HZ3 LYS 37 HZ3 LYS 37 -10.558 -6.616 10.341
265 H ALA 38 HN ALA 38 -14.487 1.305 8.970
266 HA ALA 38 HA ALA 38 -16.006 -0.203 7.029
267 HB1 ALA 38 HB1 ALA 38 -17.643 1.847 7.758
268 HB2 ALA 38 HB2 ALA 38 -16.613 1.704 9.181
269 HB3 ALA 38 HB3 ALA 38 -17.526 0.307 8.609
270 H ALA 39 HN ALA 39 -13.783 2.145 6.735
271 HA ALA 39 HA ALA 39 -15.011 4.016 4.974
272 HB1 ALA 39 HB1 ALA 39 -12.078 3.264 5.311
273 HB2 ALA 39 HB2 ALA 39 -12.929 4.566 6.149
274 HB3 ALA 39 HB3 ALA 39 -12.685 4.660 4.405
275 H GLU 40 HN GLU 40 -13.852 4.190 2.665
276 HA GLU 40 HA GLU 40 -14.643 1.779 1.306
277 HB2 GLU 40 HB2 GLU 40 -13.866 3.148 -0.753
278 HB3 GLU 40 HB1 GLU 40 -15.323 3.635 0.098
279 HG2 GLU 40 HG2 GLU 40 -14.062 5.368 1.266
280 HG3 GLU 40 HG1 GLU 40 -12.596 4.870 0.420
281 H GLY 41 HN GLY 41 -12.648 1.129 2.920
282 HA2 GLY 41 HA2 GLY 41 -10.688 -0.025 3.008
283 HA3 GLY 41 HA1 GLY 41 -10.810 -0.168 1.266
284 H CYS 42 HN CYS 42 -10.269 2.753 3.326
285 HA CYS 42 HA CYS 42 -7.814 3.076 1.727
286 HB2 CYS 42 HB2 CYS 42 -9.588 4.887 1.525
287 HB3 CYS 42 HB1 CYS 42 -9.223 5.278 3.173
288 H ALA 43 HN ALA 43 -8.709 1.824 4.429
289 HA ALA 43 HA ALA 43 -7.218 3.091 6.462
290 HB1 ALA 43 HB1 ALA 43 -8.930 1.503 7.007
291 HB2 ALA 43 HB2 ALA 43 -7.376 0.868 7.578
292 HB3 ALA 43 HB3 ALA 43 -8.100 0.236 6.097
293 H SER 44 HN SER 44 -6.471 1.032 3.838
294 HA SER 44 HA SER 44 -3.956 0.052 4.655
295 HB2 SER 44 HB2 SER 44 -5.105 -1.067 2.897
296 HB3 SER 44 HB1 SER 44 -5.274 0.422 1.963
297 HG SER 44 HG SER 44 -3.284 -1.375 1.931
298 H CYS 45 HN CYS 45 -5.038 3.115 3.518
299 HA CYS 45 HA CYS 45 -2.417 4.027 2.633
300 HB2 CYS 45 HB2 CYS 45 -4.600 4.947 1.721
301 HB3 CYS 45 HB1 CYS 45 -4.847 5.722 3.293
302 H PHE 46 HN PHE 46 -4.579 4.296 5.316
303 HA PHE 46 HA PHE 46 -3.319 6.154 6.936
304 HB2 PHE 46 HB2 PHE 46 -5.496 5.675 7.495
305 HB3 PHE 46 HB1 PHE 46 -5.292 3.946 7.271
306 HD1 PHE 46 HD1 PHE 46 -4.550 6.749 9.623
307 HD2 PHE 46 HD2 PHE 46 -4.957 2.550 9.090
308 HE1 PHE 46 HE1 PHE 46 -4.413 6.462 11.948
309 HE2 PHE 46 HE2 PHE 46 -4.856 2.254 11.492
310 HZ PHE 46 HZ PHE 46 -4.566 4.191 12.944
311 H CYS 47 HN CYS 47 -3.281 2.614 7.584
312 HA CYS 47 HA CYS 47 -1.005 2.991 9.320
313 HB2 CYS 47 HB2 CYS 47 -3.001 0.985 8.954
314 HB3 CYS 47 HB1 CYS 47 -1.414 0.230 8.903
315 H GLU 48 HN GLU 48 -0.857 3.013 6.110
316 HA GLU 48 HA GLU 48 1.101 0.959 5.610
317 HB2 GLU 48 HB2 GLU 48 -0.284 1.789 3.784
318 HB3 GLU 48 HB1 GLU 48 0.329 3.420 4.016
319 HG2 GLU 48 HG2 GLU 48 1.331 2.362 2.077
320 HG3 GLU 48 HG1 GLU 48 2.543 2.710 3.308
321 H ASP 49 HN ASP 49 1.213 4.473 6.089
322 HA ASP 49 HA ASP 49 4.044 4.699 5.899
323 HB2 ASP 49 HB2 ASP 49 2.396 6.577 5.592
324 HB3 ASP 49 HB1 ASP 49 2.116 6.550 7.325
325 H HIS 50 HN HIS 50 1.776 4.260 8.548
326 HA HIS 50 HA HIS 50 3.973 4.193 10.479
327 HB2 HIS 50 HB2 HIS 50 1.344 3.646 11.602
328 HB3 HIS 50 HB1 HIS 50 2.505 4.882 12.049
329 HD1 HIS 50 HD1 HIS 50 -0.640 5.203 11.913
330 HD2 HIS 50 HD2 HIS 50 2.065 6.520 9.046
331 HE1 HIS 50 HE1 HIS 50 -1.809 7.069 10.705
332 HE2 HIS 50 HE2 HIS 50 -0.154 7.880 8.974
333 H CYS 51 HN CYS 51 3.663 2.099 8.541
334 HA CYS 51 HA CYS 51 2.325 -0.148 9.507
335 HB2 CYS 51 HB2 CYS 51 4.375 0.347 7.477
336 HB3 CYS 51 HB1 CYS 51 4.409 -1.271 8.156
337 H HIS 52 HN HIS 52 2.616 -0.389 11.683
338 HA HIS 52 HA HIS 52 4.532 -2.214 12.547
339 HB2 HIS 52 HB2 HIS 52 6.071 -0.983 13.838
340 HB3 HIS 52 HB1 HIS 52 5.951 -0.045 12.355
341 HD1 HIS 52 HD1 HIS 52 3.760 1.847 12.709
342 HD2 HIS 52 HD2 HIS 52 6.091 0.682 15.953
343 HE1 HIS 52 HE1 HIS 52 3.485 3.664 14.429
344 HE2 HIS 52 HE2 HIS 52 4.745 2.839 16.454
345 H GLY 53 HN GLY 53 4.529 -2.201 15.093
346 HA2 GLY 53 HA2 GLY 53 3.297 -2.461 16.997
347 HA3 GLY 53 HA1 GLY 53 2.537 -0.945 16.556
348 H VAL 54 HN VAL 54 0.423 -0.964 16.153
349 HA VAL 54 HA VAL 54 -0.909 -3.509 16.246
350 HB VAL 54 HB VAL 54 -1.494 -1.482 17.656
351 HG11 VAL 54 HG11 VAL 54 -3.398 -0.242 16.194
352 HG12 VAL 54 HG12 VAL 54 -2.133 -0.508 14.994
353 HG13 VAL 54 HG13 VAL 54 -1.769 0.376 16.479
354 HG21 VAL 54 HG21 VAL 54 -3.823 -2.629 16.137
355 HG22 VAL 54 HG22 VAL 54 -3.789 -2.050 17.803
356 HG23 VAL 54 HG23 VAL 54 -2.927 -3.526 17.366
357 H CYS 55 HN CYS 55 0.174 -1.550 13.702
358 HA CYS 55 HA CYS 55 -2.017 -1.688 11.856
359 HB2 CYS 55 HB2 CYS 55 0.983 -1.657 11.370
360 HB3 CYS 55 HB1 CYS 55 -0.245 -1.434 10.144
361 H LYS 56 HN LYS 56 -0.017 -4.040 13.250
362 HA LYS 56 HA LYS 56 -0.374 -6.008 11.113
363 HB2 LYS 56 HB2 LYS 56 1.805 -5.837 12.327
364 HB3 LYS 56 HB1 LYS 56 0.981 -6.246 13.822
365 HG2 LYS 56 HG2 LYS 56 2.071 -8.200 13.060
366 HG3 LYS 56 HG1 LYS 56 0.347 -8.429 12.778
367 HD2 LYS 56 HD2 LYS 56 1.729 -9.198 10.880
368 HD3 LYS 56 HD1 LYS 56 0.618 -7.905 10.428
369 HE2 LYS 56 HE2 LYS 56 2.908 -7.661 9.481
370 HE3 LYS 56 HE1 LYS 56 2.369 -6.284 10.441
371 HZ1 LYS 56 HZ1 LYS 56 3.619 -7.866 12.259
372 HZ2 LYS 56 HZ2 LYS 56 4.289 -6.502 11.512
373 HZ3 LYS 56 HZ3 LYS 56 4.587 -8.042 10.879
374 H ASP 57 HN ASP 57 -1.710 -4.905 14.054
375 HA ASP 57 HA ASP 57 -3.163 -7.311 14.733
376 HB2 ASP 57 HB2 ASP 57 -2.296 -5.252 16.236
377 HB3 ASP 57 HB1 ASP 57 -3.919 -4.685 15.885
378 H LEU 58 HN LEU 58 -4.058 -4.001 13.593
379 HA LEU 58 HA LEU 58 -6.773 -4.812 13.250
380 HB2 LEU 58 HB2 LEU 58 -7.103 -2.580 12.149
381 HB3 LEU 58 HB1 LEU 58 -6.577 -2.562 13.805
382 HG LEU 58 HG LEU 58 -5.655 -0.871 11.961
383 HD11 LEU 58 HD11 LEU 58 -4.840 -1.751 14.532
384 HD12 LEU 58 HD12 LEU 58 -4.682 -0.162 13.781
385 HD13 LEU 58 HD13 LEU 58 -3.411 -1.368 13.571
386 HD21 LEU 58 HD21 LEU 58 -4.670 -2.971 10.763
387 HD22 LEU 58 HD22 LEU 58 -3.390 -2.806 11.967
388 HD23 LEU 58 HD23 LEU 58 -3.745 -1.473 10.867
389 H HIS 59 HN HIS 59 -4.377 -5.937 11.653
390 HA HIS 59 HA HIS 59 -3.990 -6.966 9.699
391 HB2 HIS 59 HB2 HIS 59 -6.922 -6.962 9.913
392 HB3 HIS 59 HB1 HIS 59 -6.293 -7.213 8.285
393 HD1 HIS 59 HD1 HIS 59 -7.437 -9.677 8.789
394 HD2 HIS 59 HD2 HIS 59 -3.900 -8.737 10.769
395 HE1 HIS 59 HE1 HIS 59 -6.482 -11.874 9.556
396 HE2 HIS 59 HE2 HIS 59 -4.260 -11.293 10.607
397 H LEU 60 HN LEU 60 -2.824 -5.050 9.167
398 HA LEU 60 HA LEU 60 -3.962 -3.625 6.884
399 HB2 LEU 60 HB2 LEU 60 -2.739 -2.762 9.345
400 HB3 LEU 60 HB1 LEU 60 -1.843 -2.162 7.964
401 HG LEU 60 HG LEU 60 -3.829 -0.792 8.993
402 HD11 LEU 60 HD11 LEU 60 -2.391 -0.183 7.196
403 HD12 LEU 60 HD12 LEU 60 -4.064 0.197 6.767
404 HD13 LEU 60 HD13 LEU 60 -3.270 -1.229 6.083
405 HD21 LEU 60 HD21 LEU 60 -5.421 -2.034 6.827
406 HD22 LEU 60 HD22 LEU 60 -5.934 -1.358 8.379
407 HD23 LEU 60 HD23 LEU 60 -5.256 -2.988 8.311
408 H CYS 61 HN CYS 61 -0.777 -4.193 8.346
409 HA CYS 61 HA CYS 61 0.164 -5.286 5.803
410 HB2 CYS 61 HB2 CYS 61 2.320 -3.977 6.144
411 HB3 CYS 61 HB1 CYS 61 0.934 -3.039 5.624
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 3.741 1.628 -0.482
2 H2 ALA 1 HT2 ALA 1 4.484 0.348 -1.369
3 H3 ALA 1 HT3 ALA 1 4.592 0.386 0.347
4 HA ALA 1 HA ALA 1 3.004 -1.219 -0.459
5 HB1 ALA 1 HB1 ALA 1 2.715 0.711 1.560
6 HB2 ALA 1 HB2 ALA 1 1.934 -0.870 1.459
7 HB3 ALA 1 HB3 ALA 1 1.131 0.554 0.799
8 H MET 2 HN MET 2 0.470 -1.117 -0.847
9 HA MET 2 HA MET 2 0.000 0.599 -3.177
10 HB2 MET 2 HB2 MET 2 -0.928 -2.248 -2.743
11 HB3 MET 2 HB1 MET 2 -1.368 -1.242 -4.121
12 HG2 MET 2 HG2 MET 2 0.886 -1.189 -4.896
13 HG3 MET 2 HG1 MET 2 1.464 -1.974 -3.427
14 HE1 MET 2 HE1 MET 2 2.748 -4.106 -4.828
15 HE2 MET 2 HE2 MET 2 2.434 -2.859 -6.034
16 HE3 MET 2 HE3 MET 2 2.023 -4.539 -6.373
17 H GLY 3 HN GLY 3 -2.805 -0.720 -3.167
18 HA2 GLY 3 HA2 GLY 3 -4.491 -0.600 -1.293
19 HA3 GLY 3 HA1 GLY 3 -3.788 0.956 -0.951
20 H LYS 4 HN LYS 4 -6.378 0.874 -1.213
21 HA LYS 4 HA LYS 4 -7.465 1.305 -3.804
22 HB2 LYS 4 HB2 LYS 4 -8.741 0.757 -1.673
23 HB3 LYS 4 HB1 LYS 4 -8.393 2.391 -1.127
24 HG2 LYS 4 HG2 LYS 4 -10.621 2.342 -1.991
25 HG3 LYS 4 HG1 LYS 4 -9.607 3.296 -3.069
26 HD2 LYS 4 HD2 LYS 4 -10.647 2.061 -4.649
27 HD3 LYS 4 HD1 LYS 4 -9.383 0.898 -4.251
28 HE2 LYS 4 HE2 LYS 4 -11.531 -0.204 -4.304
29 HE3 LYS 4 HE1 LYS 4 -10.910 -0.185 -2.654
30 HZ1 LYS 4 HZ1 LYS 4 -13.356 0.432 -3.070
31 HZ2 LYS 4 HZ2 LYS 4 -12.755 1.930 -3.575
32 HZ3 LYS 4 HZ3 LYS 4 -12.456 1.385 -1.997
33 H CYS 5 HN CYS 5 -5.622 3.007 -1.620
34 HA CYS 5 HA CYS 5 -6.259 5.682 -2.345
35 HB2 CYS 5 HB2 CYS 5 -3.902 4.595 -0.823
36 HB3 CYS 5 HB1 CYS 5 -4.631 6.206 -0.675
37 H SER 6 HN SER 6 -5.837 5.510 -4.676
38 HA SER 6 HA SER 6 -3.163 5.125 -5.636
39 HB2 SER 6 HB2 SER 6 -5.242 4.669 -6.996
40 HB3 SER 6 HB1 SER 6 -5.490 6.412 -7.076
41 HG SER 6 HG SER 6 -3.001 5.364 -7.856
42 H VAL 7 HN VAL 7 -2.968 7.273 -7.445
43 HA VAL 7 HA VAL 7 -1.594 9.178 -5.950
44 HB VAL 7 HB VAL 7 -1.057 9.028 -8.211
45 HG11 VAL 7 HG11 VAL 7 -2.673 8.060 -9.418
46 HG12 VAL 7 HG12 VAL 7 -2.978 9.724 -9.919
47 HG13 VAL 7 HG13 VAL 7 -3.957 8.987 -8.650
48 HG21 VAL 7 HG21 VAL 7 -1.031 11.349 -7.418
49 HG22 VAL 7 HG22 VAL 7 -2.674 11.558 -8.024
50 HG23 VAL 7 HG23 VAL 7 -1.353 11.245 -9.148
51 H LEU 8 HN LEU 8 -4.684 9.582 -7.589
52 HA LEU 8 HA LEU 8 -5.260 12.027 -6.190
53 HB2 LEU 8 HB2 LEU 8 -7.259 12.152 -7.471
54 HB3 LEU 8 HB1 LEU 8 -5.978 11.607 -8.522
55 HG LEU 8 HG LEU 8 -7.852 10.418 -9.208
56 HD11 LEU 8 HD11 LEU 8 -7.107 8.326 -9.228
57 HD12 LEU 8 HD12 LEU 8 -7.039 8.208 -7.468
58 HD13 LEU 8 HD13 LEU 8 -5.732 8.998 -8.350
59 HD21 LEU 8 HD21 LEU 8 -8.736 9.113 -6.778
60 HD22 LEU 8 HD22 LEU 8 -9.654 9.976 -8.012
61 HD23 LEU 8 HD23 LEU 8 -8.883 10.869 -6.703
62 H LYS 9 HN LYS 9 -5.898 8.686 -5.574
63 HA LYS 9 HA LYS 9 -8.055 9.245 -3.744
64 HB2 LYS 9 HB2 LYS 9 -6.605 6.716 -4.503
65 HB3 LYS 9 HB1 LYS 9 -7.859 6.768 -3.283
66 HG2 LYS 9 HG2 LYS 9 -8.224 7.583 -6.159
67 HG3 LYS 9 HG1 LYS 9 -8.681 6.019 -5.487
68 HD2 LYS 9 HD2 LYS 9 -9.748 8.510 -4.217
69 HD3 LYS 9 HD1 LYS 9 -10.449 7.966 -5.738
70 HE2 LYS 9 HE2 LYS 9 -10.182 6.201 -3.307
71 HE3 LYS 9 HE1 LYS 9 -11.608 7.185 -3.630
72 HZ1 LYS 9 HZ1 LYS 9 -11.557 5.950 -5.905
73 HZ2 LYS 9 HZ2 LYS 9 -12.208 5.174 -4.537
74 HZ3 LYS 9 HZ3 LYS 9 -10.638 4.799 -5.062
75 H LYS 10 HN LYS 10 -4.735 9.498 -3.620
76 HA LYS 10 HA LYS 10 -4.377 8.612 -0.892
77 HB2 LYS 10 HB2 LYS 10 -2.246 8.548 -1.593
78 HB3 LYS 10 HB1 LYS 10 -2.636 9.450 -3.047
79 HG2 LYS 10 HG2 LYS 10 -2.121 11.495 -2.055
80 HG3 LYS 10 HG1 LYS 10 -2.238 10.834 -0.421
81 HD2 LYS 10 HD2 LYS 10 -0.213 9.640 -2.226
82 HD3 LYS 10 HD1 LYS 10 0.098 11.276 -1.643
83 HE2 LYS 10 HE2 LYS 10 1.126 9.685 -0.148
84 HE3 LYS 10 HE1 LYS 10 -0.211 10.480 0.678
85 HZ1 LYS 10 HZ1 LYS 10 -1.559 8.582 0.439
86 HZ2 LYS 10 HZ2 LYS 10 -0.060 8.002 0.982
87 HZ3 LYS 10 HZ3 LYS 10 -0.494 7.839 -0.648
88 H VAL 11 HN VAL 11 -5.435 11.346 -2.573
89 HA VAL 11 HA VAL 11 -4.996 13.253 -0.470
90 HB VAL 11 HB VAL 11 -5.606 13.325 -3.219
91 HG11 VAL 11 HG11 VAL 11 -7.859 14.483 -1.610
92 HG12 VAL 11 HG12 VAL 11 -7.951 13.209 -2.830
93 HG13 VAL 11 HG13 VAL 11 -7.542 14.863 -3.306
94 HG21 VAL 11 HG21 VAL 11 -4.551 15.245 -2.992
95 HG22 VAL 11 HG22 VAL 11 -4.572 14.980 -1.245
96 HG23 VAL 11 HG23 VAL 11 -5.867 15.899 -2.011
97 H ALA 12 HN ALA 12 -7.215 10.882 -1.443
98 HA ALA 12 HA ALA 12 -9.467 11.844 0.092
99 HB1 ALA 12 HB1 ALA 12 -10.529 9.717 -0.713
100 HB2 ALA 12 HB2 ALA 12 -9.040 9.401 -1.602
101 HB3 ALA 12 HB3 ALA 12 -10.003 10.831 -1.978
102 H CYS 13 HN CYS 13 -6.831 9.535 0.587
103 HA CYS 13 HA CYS 13 -8.182 8.021 2.572
104 HB2 CYS 13 HB2 CYS 13 -5.920 7.375 3.429
105 HB3 CYS 13 HB1 CYS 13 -6.196 7.011 1.724
106 H ALA 14 HN ALA 14 -6.596 11.078 2.582
107 HA ALA 14 HA ALA 14 -6.343 11.302 5.406
108 HB1 ALA 14 HB1 ALA 14 -4.981 12.703 4.006
109 HB2 ALA 14 HB2 ALA 14 -6.078 13.740 4.918
110 HB3 ALA 14 HB3 ALA 14 -6.404 13.384 3.219
111 H ALA 15 HN ALA 15 -8.760 12.279 3.014
112 HA ALA 15 HA ALA 15 -10.484 13.605 4.816
113 HB1 ALA 15 HB1 ALA 15 -12.218 13.174 3.023
114 HB2 ALA 15 HB2 ALA 15 -10.958 12.320 2.136
115 HB3 ALA 15 HB3 ALA 15 -10.770 14.035 2.496
116 H ALA 16 HN ALA 16 -9.905 10.300 4.097
117 HA ALA 16 HA ALA 16 -12.359 9.358 5.278
118 HB1 ALA 16 HB1 ALA 16 -11.161 8.330 3.279
119 HB2 ALA 16 HB2 ALA 16 -11.758 7.235 4.526
120 HB3 ALA 16 HB3 ALA 16 -10.045 7.647 4.460
121 H ILE 17 HN ILE 17 -8.854 8.980 6.033
122 HA ILE 17 HA ILE 17 -9.634 7.842 8.556
123 HB ILE 17 HB ILE 17 -7.804 6.789 7.319
124 HG12 ILE 17 HG12 ILE 17 -8.104 6.902 9.897
125 HG13 ILE 17 HG11 ILE 17 -6.659 6.198 9.194
126 HG21 ILE 17 HG21 ILE 17 -5.558 8.155 8.102
127 HG22 ILE 17 HG22 ILE 17 -6.603 9.422 7.408
128 HG23 ILE 17 HG23 ILE 17 -6.163 8.009 6.422
129 HD11 ILE 17 HD11 ILE 17 -5.741 8.636 9.417
130 HD12 ILE 17 HD12 ILE 17 -5.723 7.520 10.782
131 HD13 ILE 17 HD13 ILE 17 -6.990 8.744 10.659
132 H ALA 18 HN ALA 18 -8.233 10.918 7.530
133 HA ALA 18 HA ALA 18 -7.365 11.801 10.047
134 HB1 ALA 18 HB1 ALA 18 -7.751 13.015 7.531
135 HB2 ALA 18 HB2 ALA 18 -6.883 13.656 8.929
136 HB3 ALA 18 HB3 ALA 18 -8.599 14.003 8.719
137 H GLY 19 HN GLY 19 -10.551 11.452 8.727
138 HA2 GLY 19 HA2 GLY 19 -11.897 12.966 10.775
139 HA3 GLY 19 HA1 GLY 19 -12.654 11.879 9.614
140 H ALA 20 HN ALA 20 -10.710 9.734 10.403
141 HA ALA 20 HA ALA 20 -12.270 8.609 12.536
142 HB1 ALA 20 HB1 ALA 20 -11.442 7.274 10.590
143 HB2 ALA 20 HB2 ALA 20 -11.060 6.592 12.170
144 HB3 ALA 20 HB3 ALA 20 -9.815 7.439 11.252
145 H VAL 21 HN VAL 21 -8.981 9.823 12.105
146 HA VAL 21 HA VAL 21 -8.114 9.064 14.710
147 HB VAL 21 HB VAL 21 -6.319 10.675 14.494
148 HG11 VAL 21 HG11 VAL 21 -6.867 8.673 12.430
149 HG12 VAL 21 HG12 VAL 21 -5.451 8.886 13.465
150 HG13 VAL 21 HG13 VAL 21 -5.633 9.864 12.005
151 HG21 VAL 21 HG21 VAL 21 -6.041 12.001 12.424
152 HG22 VAL 21 HG22 VAL 21 -7.358 12.519 13.485
153 HG23 VAL 21 HG23 VAL 21 -7.716 11.603 12.016
154 H ALA 22 HN ALA 22 -9.627 11.826 13.287
155 HA ALA 22 HA ALA 22 -9.633 13.611 15.442
156 HB1 ALA 22 HB1 ALA 22 -11.789 14.450 14.294
157 HB2 ALA 22 HB2 ALA 22 -11.432 13.227 13.069
158 HB3 ALA 22 HB3 ALA 22 -10.274 14.522 13.391
159 H ALA 23 HN ALA 23 -11.486 10.751 14.772
160 HA ALA 23 HA ALA 23 -13.589 11.259 16.634
161 HB1 ALA 23 HB1 ALA 23 -14.500 9.360 15.841
162 HB2 ALA 23 HB2 ALA 23 -12.999 8.451 16.020
163 HB3 ALA 23 HB3 ALA 23 -13.248 9.473 14.599
164 H CYS 24 HN CYS 24 -10.367 9.918 16.810
165 HA CYS 24 HA CYS 24 -10.873 9.044 19.572
166 HB2 CYS 24 HB2 CYS 24 -9.865 7.455 17.883
167 HB3 CYS 24 HB1 CYS 24 -8.426 8.468 17.910
168 H GLY 25 HN GLY 25 -8.328 10.778 17.701
169 HA2 GLY 25 HA2 GLY 25 -7.990 13.057 18.939
170 HA3 GLY 25 HA1 GLY 25 -7.420 11.982 20.203
171 H GLY 26 HN GLY 26 -6.898 11.305 16.816
172 HA2 GLY 26 HA2 GLY 26 -4.791 12.285 15.792
173 HA3 GLY 26 HA1 GLY 26 -4.015 11.743 17.275
174 H ILE 27 HN ILE 27 -2.778 10.726 15.273
175 HA ILE 27 HA ILE 27 -3.935 8.433 14.044
176 HB ILE 27 HB ILE 27 -1.063 9.341 14.303
177 HG12 ILE 27 HG12 ILE 27 -2.747 10.469 12.748
178 HG13 ILE 27 HG11 ILE 27 -1.297 9.830 11.968
179 HG21 ILE 27 HG21 ILE 27 -0.291 7.491 13.106
180 HG22 ILE 27 HG22 ILE 27 -1.912 7.051 12.558
181 HG23 ILE 27 HG23 ILE 27 -1.436 6.759 14.232
182 HD11 ILE 27 HD11 ILE 27 -3.982 9.274 11.344
183 HD12 ILE 27 HD12 ILE 27 -3.315 7.790 12.050
184 HD13 ILE 27 HD13 ILE 27 -2.532 8.541 10.646
185 H ASP 28 HN ASP 28 -4.866 7.328 15.732
186 HA ASP 28 HA ASP 28 -3.033 5.690 17.365
187 HB2 ASP 28 HB2 ASP 28 -4.854 7.157 18.580
188 HB3 ASP 28 HB1 ASP 28 -5.989 5.993 17.922
189 H LEU 29 HN LEU 29 -2.712 4.351 15.584
190 HA LEU 29 HA LEU 29 -4.471 3.629 13.745
191 HB2 LEU 29 HB2 LEU 29 -3.089 1.490 13.461
192 HB3 LEU 29 HB1 LEU 29 -2.357 3.046 13.209
193 HG LEU 29 HG LEU 29 -2.008 1.462 15.759
194 HD11 LEU 29 HD11 LEU 29 0.166 0.822 14.898
195 HD12 LEU 29 HD12 LEU 29 -0.138 1.695 13.397
196 HD13 LEU 29 HD13 LEU 29 -1.093 0.261 13.793
197 HD21 LEU 29 HD21 LEU 29 0.128 3.224 15.125
198 HD22 LEU 29 HD22 LEU 29 -0.961 3.276 16.506
199 HD23 LEU 29 HD23 LEU 29 -1.380 4.130 15.022
200 HA PRO 30 HA PRO 30 -6.337 -0.104 16.025
201 HB2 PRO 30 HB2 PRO 30 -6.351 -0.170 18.714
202 HB3 PRO 30 HB1 PRO 30 -5.019 -0.849 17.772
203 HG2 PRO 30 HG2 PRO 30 -5.182 1.764 19.215
204 HG3 PRO 30 HG1 PRO 30 -3.824 0.633 19.100
205 HD2 PRO 30 HD2 PRO 30 -4.059 2.919 17.593
206 HD3 PRO 30 HD1 PRO 30 -3.120 1.496 17.104
207 H CYS 31 HN CYS 31 -6.501 3.160 16.895
208 HA CYS 31 HA CYS 31 -9.196 2.983 17.972
209 HB2 CYS 31 HB2 CYS 31 -7.125 4.447 18.827
210 HB3 CYS 31 HB1 CYS 31 -7.785 5.575 17.658
211 H VAL 32 HN VAL 32 -7.421 4.753 15.395
212 HA VAL 32 HA VAL 32 -9.792 5.945 14.347
213 HB VAL 32 HB VAL 32 -8.439 7.084 12.912
214 HG11 VAL 32 HG11 VAL 32 -6.389 5.774 14.648
215 HG12 VAL 32 HG12 VAL 32 -7.241 7.300 14.929
216 HG13 VAL 32 HG13 VAL 32 -6.084 7.159 13.599
217 HG21 VAL 32 HG21 VAL 32 -8.242 5.248 11.355
218 HG22 VAL 32 HG22 VAL 32 -6.878 4.610 12.290
219 HG23 VAL 32 HG23 VAL 32 -6.747 6.188 11.494
220 H LEU 33 HN LEU 33 -8.020 2.993 13.583
221 HA LEU 33 HA LEU 33 -9.432 2.483 11.205
222 HB2 LEU 33 HB2 LEU 33 -7.188 1.534 12.016
223 HB3 LEU 33 HB1 LEU 33 -8.162 0.357 12.881
224 HG LEU 33 HG LEU 33 -8.861 0.657 10.041
225 HD11 LEU 33 HD11 LEU 33 -6.491 0.915 9.784
226 HD12 LEU 33 HD12 LEU 33 -6.940 -0.726 9.326
227 HD13 LEU 33 HD13 LEU 33 -6.177 -0.427 10.892
228 HD21 LEU 33 HD21 LEU 33 -8.779 -1.359 12.155
229 HD22 LEU 33 HD22 LEU 33 -8.341 -1.963 10.556
230 HD23 LEU 33 HD23 LEU 33 -9.898 -1.172 10.806
231 H ALA 34 HN ALA 34 -10.388 2.181 14.471
232 HA ALA 34 HA ALA 34 -12.167 -0.010 14.175
233 HB1 ALA 34 HB1 ALA 34 -11.507 1.872 16.228
234 HB2 ALA 34 HB2 ALA 34 -12.347 0.329 16.375
235 HB3 ALA 34 HB3 ALA 34 -13.259 1.804 16.056
236 H ALA 35 HN ALA 35 -12.287 3.369 13.433
237 HA ALA 35 HA ALA 35 -15.079 3.169 12.545
238 HB1 ALA 35 HB1 ALA 35 -15.299 5.399 12.891
239 HB2 ALA 35 HB2 ALA 35 -13.632 5.743 12.417
240 HB3 ALA 35 HB3 ALA 35 -13.978 5.102 14.026
241 H LEU 36 HN LEU 36 -11.805 3.908 11.510
242 HA LEU 36 HA LEU 36 -12.407 4.691 8.863
243 HB2 LEU 36 HB2 LEU 36 -10.268 5.270 9.789
244 HB3 LEU 36 HB1 LEU 36 -9.895 3.584 10.114
245 HG LEU 36 HG LEU 36 -10.059 3.191 7.620
246 HD11 LEU 36 HD11 LEU 36 -10.181 6.164 7.742
247 HD12 LEU 36 HD12 LEU 36 -11.209 5.006 6.865
248 HD13 LEU 36 HD13 LEU 36 -9.554 5.302 6.321
249 HD21 LEU 36 HD21 LEU 36 -7.912 3.401 8.881
250 HD22 LEU 36 HD22 LEU 36 -7.876 5.098 8.371
251 HD23 LEU 36 HD23 LEU 36 -7.864 3.806 7.157
252 H LYS 37 HN LYS 37 -12.247 1.610 10.395
253 HA LYS 37 HA LYS 37 -11.370 0.161 8.180
254 HB2 LYS 37 HB2 LYS 37 -11.853 -0.574 10.713
255 HB3 LYS 37 HB1 LYS 37 -13.396 -1.069 10.034
256 HG2 LYS 37 HG2 LYS 37 -12.096 -2.462 8.369
257 HG3 LYS 37 HG1 LYS 37 -10.665 -2.126 9.348
258 HD2 LYS 37 HD2 LYS 37 -11.916 -3.021 11.326
259 HD3 LYS 37 HD1 LYS 37 -13.189 -3.525 10.217
260 HE2 LYS 37 HE2 LYS 37 -11.945 -5.456 10.417
261 HE3 LYS 37 HE1 LYS 37 -11.264 -4.734 8.961
262 HZ1 LYS 37 HZ1 LYS 37 -9.645 -5.611 10.677
263 HZ2 LYS 37 HZ2 LYS 37 -10.076 -4.283 11.640
264 HZ3 LYS 37 HZ3 LYS 37 -9.365 -4.036 10.120
265 H ALA 38 HN ALA 38 -14.407 1.598 8.898
266 HA ALA 38 HA ALA 38 -15.873 0.061 6.916
267 HB1 ALA 38 HB1 ALA 38 -17.104 0.646 8.879
268 HB2 ALA 38 HB2 ALA 38 -17.760 1.581 7.534
269 HB3 ALA 38 HB3 ALA 38 -16.684 2.350 8.704
270 H ALA 39 HN ALA 39 -13.585 2.210 6.556
271 HA ALA 39 HA ALA 39 -14.723 4.247 4.920
272 HB1 ALA 39 HB1 ALA 39 -11.928 3.306 5.502
273 HB2 ALA 39 HB2 ALA 39 -12.654 4.901 5.717
274 HB3 ALA 39 HB3 ALA 39 -12.214 4.354 4.104
275 H GLU 40 HN GLU 40 -13.627 4.456 2.595
276 HA GLU 40 HA GLU 40 -14.794 2.402 0.992
277 HB2 GLU 40 HB2 GLU 40 -14.695 4.776 0.303
278 HB3 GLU 40 HB1 GLU 40 -12.944 4.678 0.221
279 HG2 GLU 40 HG2 GLU 40 -13.094 3.093 -1.606
280 HG3 GLU 40 HG1 GLU 40 -14.854 3.111 -1.500
281 H GLY 41 HN GLY 41 -12.139 2.270 2.794
282 HA2 GLY 41 HA2 GLY 41 -10.693 0.396 2.807
283 HA3 GLY 41 HA1 GLY 41 -10.876 0.284 1.059
284 H CYS 42 HN CYS 42 -10.062 3.132 3.060
285 HA CYS 42 HA CYS 42 -7.570 3.227 1.513
286 HB2 CYS 42 HB2 CYS 42 -9.547 5.205 1.735
287 HB3 CYS 42 HB1 CYS 42 -8.221 5.745 2.751
288 H ALA 43 HN ALA 43 -8.352 1.911 4.064
289 HA ALA 43 HA ALA 43 -6.955 3.227 6.175
290 HB1 ALA 43 HB1 ALA 43 -8.617 1.624 6.769
291 HB2 ALA 43 HB2 ALA 43 -7.055 0.936 7.227
292 HB3 ALA 43 HB3 ALA 43 -7.867 0.386 5.761
293 H SER 44 HN SER 44 -6.199 1.314 3.477
294 HA SER 44 HA SER 44 -3.688 0.283 4.233
295 HB2 SER 44 HB2 SER 44 -4.916 -0.666 2.387
296 HB3 SER 44 HB1 SER 44 -4.935 0.876 1.522
297 HG SER 44 HG SER 44 -2.928 -1.025 1.753
298 H CYS 45 HN CYS 45 -4.800 3.399 3.359
299 HA CYS 45 HA CYS 45 -2.178 4.479 2.645
300 HB2 CYS 45 HB2 CYS 45 -4.344 5.318 1.632
301 HB3 CYS 45 HB1 CYS 45 -4.754 5.973 3.215
302 H PHE 46 HN PHE 46 -4.392 4.256 5.270
303 HA PHE 46 HA PHE 46 -3.296 6.173 7.001
304 HB2 PHE 46 HB2 PHE 46 -5.472 5.451 7.477
305 HB3 PHE 46 HB1 PHE 46 -5.051 3.755 7.292
306 HD1 PHE 46 HD1 PHE 46 -4.581 6.693 9.605
307 HD2 PHE 46 HD2 PHE 46 -4.621 2.453 9.129
308 HE1 PHE 46 HE1 PHE 46 -4.398 6.450 11.923
309 HE2 PHE 46 HE2 PHE 46 -4.468 2.211 11.539
310 HZ PHE 46 HZ PHE 46 -4.337 4.197 12.962
311 H CYS 47 HN CYS 47 -3.039 2.594 7.231
312 HA CYS 47 HA CYS 47 -0.808 2.785 9.017
313 HB2 CYS 47 HB2 CYS 47 -2.595 0.792 8.174
314 HB3 CYS 47 HB1 CYS 47 -0.972 0.198 7.842
315 H GLU 48 HN GLU 48 -0.529 3.521 5.826
316 HA GLU 48 HA GLU 48 1.634 1.772 5.113
317 HB2 GLU 48 HB2 GLU 48 1.964 3.163 3.178
318 HB3 GLU 48 HB1 GLU 48 0.233 2.996 3.426
319 HG2 GLU 48 HG2 GLU 48 0.042 5.208 4.246
320 HG3 GLU 48 HG1 GLU 48 1.791 5.379 4.386
321 H ASP 49 HN ASP 49 1.338 4.687 6.917
322 HA ASP 49 HA ASP 49 4.168 5.331 6.821
323 HB2 ASP 49 HB2 ASP 49 2.548 7.154 6.827
324 HB3 ASP 49 HB1 ASP 49 1.861 6.572 8.338
325 H HIS 50 HN HIS 50 1.791 4.235 9.202
326 HA HIS 50 HA HIS 50 3.996 3.505 11.013
327 HB2 HIS 50 HB2 HIS 50 2.050 3.439 12.733
328 HB3 HIS 50 HB1 HIS 50 2.671 5.002 12.219
329 HD1 HIS 50 HD1 HIS 50 -0.179 2.643 11.430
330 HD2 HIS 50 HD2 HIS 50 0.816 6.664 11.162
331 HE1 HIS 50 HE1 HIS 50 -2.266 3.804 10.635
332 HE2 HIS 50 HE2 HIS 50 -1.548 6.190 10.240
333 H CYS 51 HN CYS 51 4.022 1.664 9.399
334 HA CYS 51 HA CYS 51 2.005 -0.370 9.759
335 HB2 CYS 51 HB2 CYS 51 3.227 0.062 7.585
336 HB3 CYS 51 HB1 CYS 51 4.662 -0.624 8.337
337 H HIS 52 HN HIS 52 2.598 -0.140 12.201
338 HA HIS 52 HA HIS 52 4.238 -2.449 12.872
339 HB2 HIS 52 HB2 HIS 52 5.536 -1.233 14.576
340 HB3 HIS 52 HB1 HIS 52 5.853 -0.599 12.965
341 HD1 HIS 52 HD1 HIS 52 5.231 1.837 12.506
342 HD2 HIS 52 HD2 HIS 52 4.037 0.512 16.268
343 HE1 HIS 52 HE1 HIS 52 4.464 3.890 13.742
344 HE2 HIS 52 HE2 HIS 52 3.550 3.029 15.933
345 H GLY 53 HN GLY 53 4.201 -2.706 15.377
346 HA2 GLY 53 HA2 GLY 53 2.975 -3.136 17.253
347 HA3 GLY 53 HA1 GLY 53 2.223 -1.581 16.967
348 H VAL 54 HN VAL 54 0.119 -1.599 16.777
349 HA VAL 54 HA VAL 54 -1.304 -4.074 16.584
350 HB VAL 54 HB VAL 54 -1.872 -2.027 18.028
351 HG11 VAL 54 HG11 VAL 54 -3.312 -1.114 15.575
352 HG12 VAL 54 HG12 VAL 54 -1.701 -0.525 15.983
353 HG13 VAL 54 HG13 VAL 54 -3.049 -0.249 17.090
354 HG21 VAL 54 HG21 VAL 54 -4.418 -2.550 16.818
355 HG22 VAL 54 HG22 VAL 54 -3.788 -3.093 18.374
356 HG23 VAL 54 HG23 VAL 54 -3.479 -4.037 16.917
357 H CYS 55 HN CYS 55 0.053 -2.110 14.292
358 HA CYS 55 HA CYS 55 -1.990 -1.965 12.291
359 HB2 CYS 55 HB2 CYS 55 0.225 -0.706 12.322
360 HB3 CYS 55 HB1 CYS 55 0.999 -2.211 11.832
361 H LYS 56 HN LYS 56 -0.195 -4.442 13.663
362 HA LYS 56 HA LYS 56 -0.369 -6.303 11.436
363 HB2 LYS 56 HB2 LYS 56 1.606 -6.193 12.997
364 HB3 LYS 56 HB1 LYS 56 0.558 -6.715 14.300
365 HG2 LYS 56 HG2 LYS 56 0.703 -8.447 11.902
366 HG3 LYS 56 HG1 LYS 56 2.124 -8.376 12.946
367 HD2 LYS 56 HD2 LYS 56 -0.685 -9.079 13.808
368 HD3 LYS 56 HD1 LYS 56 0.644 -10.214 13.574
369 HE2 LYS 56 HE2 LYS 56 0.601 -7.963 15.593
370 HE3 LYS 56 HE1 LYS 56 0.277 -9.657 15.951
371 HZ1 LYS 56 HZ1 LYS 56 2.853 -8.532 14.965
372 HZ2 LYS 56 HZ2 LYS 56 2.543 -10.176 15.216
373 HZ3 LYS 56 HZ3 LYS 56 2.536 -9.115 16.530
374 H ASP 57 HN ASP 57 -2.183 -5.153 14.039
375 HA ASP 57 HA ASP 57 -3.822 -7.545 14.341
376 HB2 ASP 57 HB2 ASP 57 -2.998 -5.790 16.196
377 HB3 ASP 57 HB1 ASP 57 -4.507 -5.017 15.732
378 H LEU 58 HN LEU 58 -4.257 -4.086 13.377
379 HA LEU 58 HA LEU 58 -6.999 -4.507 12.815
380 HB2 LEU 58 HB2 LEU 58 -6.947 -2.270 11.670
381 HB3 LEU 58 HB1 LEU 58 -6.555 -2.318 13.364
382 HG LEU 58 HG LEU 58 -5.267 -0.768 11.640
383 HD11 LEU 58 HD11 LEU 58 -4.756 -1.755 14.238
384 HD12 LEU 58 HD12 LEU 58 -4.285 -0.221 13.506
385 HD13 LEU 58 HD13 LEU 58 -3.217 -1.622 13.385
386 HD21 LEU 58 HD21 LEU 58 -3.255 -1.653 10.799
387 HD22 LEU 58 HD22 LEU 58 -4.524 -2.775 10.309
388 HD23 LEU 58 HD23 LEU 58 -3.465 -3.175 11.663
389 H HIS 59 HN HIS 59 -4.350 -5.481 11.145
390 HA HIS 59 HA HIS 59 -4.004 -6.626 9.256
391 HB2 HIS 59 HB2 HIS 59 -7.014 -6.597 9.148
392 HB3 HIS 59 HB1 HIS 59 -6.010 -7.491 8.013
393 HD1 HIS 59 HD1 HIS 59 -4.091 -9.017 9.581
394 HD2 HIS 59 HD2 HIS 59 -7.927 -8.294 11.024
395 HE1 HIS 59 HE1 HIS 59 -4.511 -10.796 11.315
396 HE2 HIS 59 HE2 HIS 59 -6.912 -10.462 12.019
397 H LEU 60 HN LEU 60 -2.981 -4.659 8.446
398 HA LEU 60 HA LEU 60 -4.377 -3.728 6.030
399 HB2 LEU 60 HB2 LEU 60 -2.506 -2.087 7.734
400 HB3 LEU 60 HB1 LEU 60 -3.263 -1.564 6.241
401 HG LEU 60 HG LEU 60 -4.548 -2.051 8.900
402 HD11 LEU 60 HD11 LEU 60 -3.637 0.093 8.683
403 HD12 LEU 60 HD12 LEU 60 -5.384 0.237 8.488
404 HD13 LEU 60 HD13 LEU 60 -4.331 0.300 7.074
405 HD21 LEU 60 HD21 LEU 60 -6.129 -3.056 7.582
406 HD22 LEU 60 HD22 LEU 60 -5.781 -2.020 6.180
407 HD23 LEU 60 HD23 LEU 60 -6.666 -1.370 7.569
408 H CYS 61 HN CYS 61 -1.173 -3.763 7.554
409 HA CYS 61 HA CYS 61 -0.060 -4.848 5.067
410 HB2 CYS 61 HB2 CYS 61 1.936 -3.346 5.428
411 HB3 CYS 61 HB1 CYS 61 0.455 -2.503 4.999
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 3.440 5.014 0.204
2 H2 ALA 1 HT2 ALA 1 3.735 6.114 -1.074
3 H3 ALA 1 HT3 ALA 1 2.989 4.592 -1.393
4 HA ALA 1 HA ALA 1 1.397 5.631 0.471
5 HB1 ALA 1 HB1 ALA 1 2.638 7.822 -1.118
6 HB2 ALA 1 HB2 ALA 1 2.092 7.809 0.560
7 HB3 ALA 1 HB3 ALA 1 0.916 7.916 -0.750
8 H MET 2 HN MET 2 0.195 3.974 -0.462
9 HA MET 2 HA MET 2 -1.403 4.782 -2.694
10 HB2 MET 2 HB2 MET 2 0.657 3.749 -3.738
11 HB3 MET 2 HB1 MET 2 0.153 2.220 -3.030
12 HG2 MET 2 HG2 MET 2 -1.938 2.322 -4.292
13 HG3 MET 2 HG1 MET 2 -1.432 3.855 -5.000
14 HE1 MET 2 HE1 MET 2 1.135 0.656 -4.538
15 HE2 MET 2 HE2 MET 2 0.345 -0.287 -5.806
16 HE3 MET 2 HE3 MET 2 -0.572 0.233 -4.389
17 H GLY 3 HN GLY 3 -1.118 1.366 -2.338
18 HA2 GLY 3 HA2 GLY 3 -2.419 -0.149 -1.079
19 HA3 GLY 3 HA1 GLY 3 -3.119 1.211 -0.232
20 H LYS 4 HN LYS 4 -5.208 0.460 -0.485
21 HA LYS 4 HA LYS 4 -6.361 -0.207 -2.991
22 HB2 LYS 4 HB2 LYS 4 -7.467 -0.924 -1.011
23 HB3 LYS 4 HB1 LYS 4 -7.436 0.695 -0.325
24 HG2 LYS 4 HG2 LYS 4 -9.669 0.293 -0.958
25 HG3 LYS 4 HG1 LYS 4 -9.008 1.391 -2.168
26 HD2 LYS 4 HD2 LYS 4 -8.522 -0.710 -3.547
27 HD3 LYS 4 HD1 LYS 4 -9.596 -1.545 -2.430
28 HE2 LYS 4 HE2 LYS 4 -10.238 0.725 -4.292
29 HE3 LYS 4 HE1 LYS 4 -10.939 -0.891 -4.269
30 HZ1 LYS 4 HZ1 LYS 4 -12.578 0.107 -3.138
31 HZ2 LYS 4 HZ2 LYS 4 -11.627 1.452 -2.723
32 HZ3 LYS 4 HZ3 LYS 4 -11.532 0.028 -1.804
33 H CYS 5 HN CYS 5 -5.472 2.589 -1.355
34 HA CYS 5 HA CYS 5 -7.068 4.526 -2.707
35 HB2 CYS 5 HB2 CYS 5 -4.923 4.409 -0.685
36 HB3 CYS 5 HB1 CYS 5 -4.942 5.878 -1.652
37 H SER 6 HN SER 6 -6.769 4.890 -4.828
38 HA SER 6 HA SER 6 -4.353 4.307 -6.206
39 HB2 SER 6 HB2 SER 6 -6.661 4.230 -7.214
40 HB3 SER 6 HB1 SER 6 -6.673 5.992 -7.186
41 HG SER 6 HG SER 6 -5.551 4.327 -8.982
42 H VAL 7 HN VAL 7 -3.850 6.341 -7.897
43 HA VAL 7 HA VAL 7 -2.073 7.982 -6.578
44 HB VAL 7 HB VAL 7 -1.892 7.677 -8.916
45 HG11 VAL 7 HG11 VAL 7 -4.443 7.539 -9.229
46 HG12 VAL 7 HG12 VAL 7 -3.436 8.119 -10.558
47 HG13 VAL 7 HG13 VAL 7 -4.320 9.269 -9.556
48 HG21 VAL 7 HG21 VAL 7 -1.993 10.132 -9.761
49 HG22 VAL 7 HG22 VAL 7 -0.863 9.684 -8.476
50 HG23 VAL 7 HG23 VAL 7 -2.386 10.489 -8.073
51 H LEU 8 HN LEU 8 -5.218 8.957 -7.841
52 HA LEU 8 HA LEU 8 -5.181 11.509 -6.542
53 HB2 LEU 8 HB2 LEU 8 -7.412 11.807 -7.365
54 HB3 LEU 8 HB1 LEU 8 -6.458 11.052 -8.627
55 HG LEU 8 HG LEU 8 -8.353 9.523 -6.835
56 HD11 LEU 8 HD11 LEU 8 -10.053 9.776 -8.359
57 HD12 LEU 8 HD12 LEU 8 -8.956 10.218 -9.671
58 HD13 LEU 8 HD13 LEU 8 -9.310 11.374 -8.384
59 HD21 LEU 8 HD21 LEU 8 -6.616 8.155 -7.898
60 HD22 LEU 8 HD22 LEU 8 -7.086 8.792 -9.473
61 HD23 LEU 8 HD23 LEU 8 -8.214 7.801 -8.550
62 H LYS 9 HN LYS 9 -6.342 8.332 -5.660
63 HA LYS 9 HA LYS 9 -7.967 9.225 -3.497
64 HB2 LYS 9 HB2 LYS 9 -6.836 6.527 -4.223
65 HB3 LYS 9 HB1 LYS 9 -7.865 6.793 -2.833
66 HG2 LYS 9 HG2 LYS 9 -8.653 7.342 -5.686
67 HG3 LYS 9 HG1 LYS 9 -9.081 5.891 -4.771
68 HD2 LYS 9 HD2 LYS 9 -10.120 7.481 -3.068
69 HD3 LYS 9 HD1 LYS 9 -9.950 8.731 -4.303
70 HE2 LYS 9 HE2 LYS 9 -12.183 7.716 -4.323
71 HE3 LYS 9 HE1 LYS 9 -11.318 7.449 -5.836
72 HZ1 LYS 9 HZ1 LYS 9 -12.200 5.531 -3.848
73 HZ2 LYS 9 HZ2 LYS 9 -10.640 5.258 -4.455
74 HZ3 LYS 9 HZ3 LYS 9 -11.955 5.331 -5.520
75 H LYS 10 HN LYS 10 -4.633 8.938 -3.982
76 HA LYS 10 HA LYS 10 -3.773 8.300 -1.341
77 HB2 LYS 10 HB2 LYS 10 -2.267 8.080 -3.258
78 HB3 LYS 10 HB1 LYS 10 -2.408 9.799 -3.591
79 HG2 LYS 10 HG2 LYS 10 -1.327 10.269 -1.425
80 HG3 LYS 10 HG1 LYS 10 -1.114 8.532 -1.189
81 HD2 LYS 10 HD2 LYS 10 0.937 9.398 -2.063
82 HD3 LYS 10 HD1 LYS 10 0.158 8.462 -3.338
83 HE2 LYS 10 HE2 LYS 10 1.023 10.487 -4.303
84 HE3 LYS 10 HE1 LYS 10 -0.739 10.587 -4.280
85 HZ1 LYS 10 HZ1 LYS 10 1.016 12.429 -3.270
86 HZ2 LYS 10 HZ2 LYS 10 0.406 11.639 -1.896
87 HZ3 LYS 10 HZ3 LYS 10 -0.656 12.365 -2.986
88 H VAL 11 HN VAL 11 -5.044 11.020 -2.916
89 HA VAL 11 HA VAL 11 -4.132 12.956 -0.971
90 HB VAL 11 HB VAL 11 -4.926 12.958 -3.678
91 HG11 VAL 11 HG11 VAL 11 -6.912 14.352 -1.952
92 HG12 VAL 11 HG12 VAL 11 -7.166 13.314 -3.357
93 HG13 VAL 11 HG13 VAL 11 -6.539 14.953 -3.568
94 HG21 VAL 11 HG21 VAL 11 -3.219 14.345 -3.273
95 HG22 VAL 11 HG22 VAL 11 -3.881 14.899 -1.731
96 HG23 VAL 11 HG23 VAL 11 -4.523 15.533 -3.249
97 H ALA 12 HN ALA 12 -6.780 10.910 -1.682
98 HA ALA 12 HA ALA 12 -8.667 12.358 -0.026
99 HB1 ALA 12 HB1 ALA 12 -10.282 10.636 -0.740
100 HB2 ALA 12 HB2 ALA 12 -8.991 9.845 -1.646
101 HB3 ALA 12 HB3 ALA 12 -9.507 11.477 -2.086
102 H CYS 13 HN CYS 13 -6.619 9.497 0.334
103 HA CYS 13 HA CYS 13 -8.129 8.259 2.373
104 HB2 CYS 13 HB2 CYS 13 -5.873 7.347 3.196
105 HB3 CYS 13 HB1 CYS 13 -6.435 6.858 1.589
106 H ALA 14 HN ALA 14 -5.964 10.964 2.427
107 HA ALA 14 HA ALA 14 -5.513 10.986 5.214
108 HB1 ALA 14 HB1 ALA 14 -4.933 12.694 2.952
109 HB2 ALA 14 HB2 ALA 14 -4.085 12.548 4.491
110 HB3 ALA 14 HB3 ALA 14 -5.455 13.645 4.342
111 H ALA 15 HN ALA 15 -7.837 12.683 3.139
112 HA ALA 15 HA ALA 15 -9.244 13.934 5.248
113 HB1 ALA 15 HB1 ALA 15 -11.095 13.995 3.414
114 HB2 ALA 15 HB2 ALA 15 -9.814 13.374 2.370
115 HB3 ALA 15 HB3 ALA 15 -9.613 14.923 3.189
116 H ALA 16 HN ALA 16 -9.377 10.786 3.810
117 HA ALA 16 HA ALA 16 -11.929 10.021 4.812
118 HB1 ALA 16 HB1 ALA 16 -9.821 8.028 4.139
119 HB2 ALA 16 HB2 ALA 16 -10.525 9.021 2.860
120 HB3 ALA 16 HB3 ALA 16 -11.558 7.977 3.836
121 H ILE 17 HN ILE 17 -8.602 9.096 5.814
122 HA ILE 17 HA ILE 17 -9.728 7.885 8.132
123 HB ILE 17 HB ILE 17 -7.855 6.766 7.136
124 HG12 ILE 17 HG12 ILE 17 -8.267 6.957 9.698
125 HG13 ILE 17 HG11 ILE 17 -6.838 6.150 9.073
126 HG21 ILE 17 HG21 ILE 17 -5.580 8.050 7.964
127 HG22 ILE 17 HG22 ILE 17 -6.543 9.329 7.173
128 HG23 ILE 17 HG23 ILE 17 -6.134 7.850 6.268
129 HD11 ILE 17 HD11 ILE 17 -6.035 7.498 10.787
130 HD12 ILE 17 HD12 ILE 17 -7.043 8.859 10.304
131 HD13 ILE 17 HD13 ILE 17 -5.666 8.388 9.314
132 H ALA 18 HN ALA 18 -8.167 10.959 7.509
133 HA ALA 18 HA ALA 18 -7.408 11.718 10.056
134 HB1 ALA 18 HB1 ALA 18 -7.786 13.054 7.635
135 HB2 ALA 18 HB2 ALA 18 -7.037 13.686 9.107
136 HB3 ALA 18 HB3 ALA 18 -8.763 13.934 8.817
137 H GLY 19 HN GLY 19 -10.677 11.614 8.722
138 HA2 GLY 19 HA2 GLY 19 -11.962 12.966 10.862
139 HA3 GLY 19 HA1 GLY 19 -12.738 11.870 9.725
140 H ALA 20 HN ALA 20 -10.748 9.748 10.496
141 HA ALA 20 HA ALA 20 -12.273 8.666 12.681
142 HB1 ALA 20 HB1 ALA 20 -10.088 7.550 10.957
143 HB2 ALA 20 HB2 ALA 20 -11.794 7.105 11.002
144 HB3 ALA 20 HB3 ALA 20 -10.741 6.685 12.348
145 H VAL 21 HN VAL 21 -8.947 9.780 12.156
146 HA VAL 21 HA VAL 21 -8.085 8.993 14.759
147 HB VAL 21 HB VAL 21 -6.173 10.380 14.500
148 HG11 VAL 21 HG11 VAL 21 -6.398 9.511 11.704
149 HG12 VAL 21 HG12 VAL 21 -6.660 8.277 12.934
150 HG13 VAL 21 HG13 VAL 21 -5.141 9.178 12.892
151 HG21 VAL 21 HG21 VAL 21 -7.501 12.290 13.459
152 HG22 VAL 21 HG22 VAL 21 -7.103 11.523 11.919
153 HG23 VAL 21 HG23 VAL 21 -5.816 12.068 12.997
154 H ALA 22 HN ALA 22 -9.407 11.853 13.332
155 HA ALA 22 HA ALA 22 -9.269 13.645 15.464
156 HB1 ALA 22 HB1 ALA 22 -10.153 14.903 13.847
157 HB2 ALA 22 HB2 ALA 22 -11.708 14.127 14.155
158 HB3 ALA 22 HB3 ALA 22 -10.620 13.470 12.928
159 H ALA 23 HN ALA 23 -11.351 10.919 14.844
160 HA ALA 23 HA ALA 23 -13.329 11.578 16.802
161 HB1 ALA 23 HB1 ALA 23 -12.783 9.342 14.964
162 HB2 ALA 23 HB2 ALA 23 -14.311 10.116 15.396
163 HB3 ALA 23 HB3 ALA 23 -13.605 8.905 16.465
164 H CYS 24 HN CYS 24 -10.216 10.004 16.849
165 HA CYS 24 HA CYS 24 -10.742 9.044 19.581
166 HB2 CYS 24 HB2 CYS 24 -9.952 7.466 17.773
167 HB3 CYS 24 HB1 CYS 24 -8.411 8.314 17.819
168 H GLY 25 HN GLY 25 -8.142 10.711 17.714
169 HA2 GLY 25 HA2 GLY 25 -7.671 12.732 19.509
170 HA3 GLY 25 HA1 GLY 25 -6.718 11.387 20.102
171 H GLY 26 HN GLY 26 -5.870 10.299 17.614
172 HA2 GLY 26 HA2 GLY 26 -4.851 11.903 15.678
173 HA3 GLY 26 HA1 GLY 26 -3.757 12.177 17.025
174 H ILE 27 HN ILE 27 -4.557 10.193 14.431
175 HA ILE 27 HA ILE 27 -4.009 8.105 13.736
176 HB ILE 27 HB ILE 27 -1.311 9.347 14.284
177 HG12 ILE 27 HG12 ILE 27 -2.937 10.453 12.712
178 HG13 ILE 27 HG11 ILE 27 -1.433 9.937 11.948
179 HG21 ILE 27 HG21 ILE 27 -0.287 7.702 12.960
180 HG22 ILE 27 HG22 ILE 27 -1.835 7.135 12.310
181 HG23 ILE 27 HG23 ILE 27 -1.378 6.759 13.981
182 HD11 ILE 27 HD11 ILE 27 -2.518 8.617 10.539
183 HD12 ILE 27 HD12 ILE 27 -4.023 9.328 11.133
184 HD13 ILE 27 HD13 ILE 27 -3.405 7.828 11.855
185 H ASP 28 HN ASP 28 -5.073 7.318 15.707
186 HA ASP 28 HA ASP 28 -3.254 5.625 17.291
187 HB2 ASP 28 HB2 ASP 28 -5.806 6.963 17.914
188 HB3 ASP 28 HB1 ASP 28 -5.834 5.240 18.273
189 H LEU 29 HN LEU 29 -2.918 4.417 15.400
190 HA LEU 29 HA LEU 29 -4.611 3.697 13.559
191 HB2 LEU 29 HB2 LEU 29 -3.221 1.653 13.126
192 HB3 LEU 29 HB1 LEU 29 -2.439 3.207 13.118
193 HG LEU 29 HG LEU 29 -2.275 1.288 15.448
194 HD11 LEU 29 HD11 LEU 29 -0.318 0.417 14.593
195 HD12 LEU 29 HD12 LEU 29 -0.058 1.779 13.509
196 HD13 LEU 29 HD13 LEU 29 -1.295 0.580 13.134
197 HD21 LEU 29 HD21 LEU 29 -1.246 3.988 14.897
198 HD22 LEU 29 HD22 LEU 29 -0.044 2.838 15.488
199 HD23 LEU 29 HD23 LEU 29 -1.497 3.158 16.435
200 HA PRO 30 HA PRO 30 -6.469 -0.209 15.495
201 HB2 PRO 30 HB2 PRO 30 -6.548 -0.487 18.183
202 HB3 PRO 30 HB1 PRO 30 -5.212 -1.102 17.205
203 HG2 PRO 30 HG2 PRO 30 -5.360 1.377 18.861
204 HG3 PRO 30 HG1 PRO 30 -4.010 0.249 18.646
205 HD2 PRO 30 HD2 PRO 30 -4.228 2.665 17.351
206 HD3 PRO 30 HD1 PRO 30 -3.295 1.288 16.739
207 H CYS 31 HN CYS 31 -6.644 2.924 16.830
208 HA CYS 31 HA CYS 31 -9.381 2.732 17.746
209 HB2 CYS 31 HB2 CYS 31 -7.407 4.086 18.777
210 HB3 CYS 31 HB1 CYS 31 -7.809 5.266 17.546
211 H VAL 32 HN VAL 32 -7.545 4.584 15.279
212 HA VAL 32 HA VAL 32 -9.890 5.805 14.199
213 HB VAL 32 HB VAL 32 -8.514 6.962 12.792
214 HG11 VAL 32 HG11 VAL 32 -7.309 7.217 14.771
215 HG12 VAL 32 HG12 VAL 32 -6.118 6.926 13.494
216 HG13 VAL 32 HG13 VAL 32 -6.554 5.626 14.603
217 HG21 VAL 32 HG21 VAL 32 -7.055 4.437 12.125
218 HG22 VAL 32 HG22 VAL 32 -6.717 6.036 11.443
219 HG23 VAL 32 HG23 VAL 32 -8.283 5.265 11.147
220 H LEU 33 HN LEU 33 -8.141 2.828 13.497
221 HA LEU 33 HA LEU 33 -9.514 2.257 11.098
222 HB2 LEU 33 HB2 LEU 33 -7.319 1.262 12.122
223 HB3 LEU 33 HB1 LEU 33 -8.421 0.115 12.859
224 HG LEU 33 HG LEU 33 -9.085 0.308 10.104
225 HD11 LEU 33 HD11 LEU 33 -6.272 -0.658 10.334
226 HD12 LEU 33 HD12 LEU 33 -6.563 1.085 10.199
227 HD13 LEU 33 HD13 LEU 33 -7.161 -0.002 8.946
228 HD21 LEU 33 HD21 LEU 33 -7.687 -2.083 10.878
229 HD22 LEU 33 HD22 LEU 33 -9.385 -1.848 10.472
230 HD23 LEU 33 HD23 LEU 33 -8.828 -1.573 12.121
231 H ALA 34 HN ALA 34 -10.628 2.293 14.272
232 HA ALA 34 HA ALA 34 -12.444 0.068 14.041
233 HB1 ALA 34 HB1 ALA 34 -13.320 1.996 15.981
234 HB2 ALA 34 HB2 ALA 34 -11.581 1.741 16.137
235 HB3 ALA 34 HB3 ALA 34 -12.686 0.368 16.237
236 H ALA 35 HN ALA 35 -12.401 3.447 13.302
237 HA ALA 35 HA ALA 35 -15.244 3.414 12.526
238 HB1 ALA 35 HB1 ALA 35 -15.229 5.355 13.635
239 HB2 ALA 35 HB2 ALA 35 -14.377 6.000 12.233
240 HB3 ALA 35 HB3 ALA 35 -13.466 5.439 13.632
241 H LEU 36 HN LEU 36 -11.987 4.155 11.433
242 HA LEU 36 HA LEU 36 -12.612 5.029 8.832
243 HB2 LEU 36 HB2 LEU 36 -10.429 5.512 9.645
244 HB3 LEU 36 HB1 LEU 36 -10.121 3.824 10.032
245 HG LEU 36 HG LEU 36 -10.363 3.359 7.543
246 HD11 LEU 36 HD11 LEU 36 -11.401 5.204 6.715
247 HD12 LEU 36 HD12 LEU 36 -9.725 5.424 6.204
248 HD13 LEU 36 HD13 LEU 36 -10.349 6.329 7.597
249 HD21 LEU 36 HD21 LEU 36 -8.151 3.757 7.049
250 HD22 LEU 36 HD22 LEU 36 -8.179 3.544 8.814
251 HD23 LEU 36 HD23 LEU 36 -8.064 5.170 8.117
252 H LYS 37 HN LYS 37 -12.457 1.894 10.263
253 HA LYS 37 HA LYS 37 -11.735 0.405 8.045
254 HB2 LYS 37 HB2 LYS 37 -12.671 -0.142 10.647
255 HB3 LYS 37 HB1 LYS 37 -13.827 -0.938 9.593
256 HG2 LYS 37 HG2 LYS 37 -10.886 -1.359 9.258
257 HG3 LYS 37 HG1 LYS 37 -11.816 -2.269 10.450
258 HD2 LYS 37 HD2 LYS 37 -13.375 -2.880 8.541
259 HD3 LYS 37 HD1 LYS 37 -12.139 -2.235 7.461
260 HE2 LYS 37 HE2 LYS 37 -11.887 -4.638 7.671
261 HE3 LYS 37 HE1 LYS 37 -10.508 -3.821 8.406
262 HZ1 LYS 37 HZ1 LYS 37 -12.167 -5.694 9.585
263 HZ2 LYS 37 HZ2 LYS 37 -12.543 -4.226 10.344
264 HZ3 LYS 37 HZ3 LYS 37 -10.947 -4.804 10.343
265 H ALA 38 HN ALA 38 -14.628 2.130 8.675
266 HA ALA 38 HA ALA 38 -16.389 0.689 6.935
267 HB1 ALA 38 HB1 ALA 38 -16.512 3.291 8.391
268 HB2 ALA 38 HB2 ALA 38 -17.580 1.893 8.493
269 HB3 ALA 38 HB3 ALA 38 -17.668 2.970 7.101
270 H ALA 39 HN ALA 39 -13.720 2.515 6.313
271 HA ALA 39 HA ALA 39 -14.541 4.055 4.058
272 HB1 ALA 39 HB1 ALA 39 -12.156 4.316 3.624
273 HB2 ALA 39 HB2 ALA 39 -11.774 2.999 4.743
274 HB3 ALA 39 HB3 ALA 39 -12.462 4.506 5.350
275 H GLU 40 HN GLU 40 -13.327 3.523 1.863
276 HA GLU 40 HA GLU 40 -14.347 0.975 0.985
277 HB2 GLU 40 HB2 GLU 40 -13.347 1.651 -1.220
278 HB3 GLU 40 HB1 GLU 40 -14.507 2.799 -0.566
279 HG2 GLU 40 HG2 GLU 40 -12.819 4.316 0.041
280 HG3 GLU 40 HG1 GLU 40 -11.551 3.107 -0.154
281 H GLY 41 HN GLY 41 -12.209 1.000 2.992
282 HA2 GLY 41 HA2 GLY 41 -10.483 -0.460 3.473
283 HA3 GLY 41 HA1 GLY 41 -10.518 -0.994 1.794
284 H CYS 42 HN CYS 42 -10.140 2.342 3.005
285 HA CYS 42 HA CYS 42 -7.582 2.359 1.583
286 HB2 CYS 42 HB2 CYS 42 -9.717 4.337 1.832
287 HB3 CYS 42 HB1 CYS 42 -8.123 4.996 2.185
288 H ALA 43 HN ALA 43 -8.432 1.469 4.310
289 HA ALA 43 HA ALA 43 -7.136 3.075 6.253
290 HB1 ALA 43 HB1 ALA 43 -8.837 1.131 6.497
291 HB2 ALA 43 HB2 ALA 43 -7.558 1.313 7.703
292 HB3 ALA 43 HB3 ALA 43 -7.401 0.108 6.425
293 H SER 44 HN SER 44 -6.199 0.954 3.803
294 HA SER 44 HA SER 44 -3.684 0.067 4.722
295 HB2 SER 44 HB2 SER 44 -3.388 -0.047 2.103
296 HB3 SER 44 HB1 SER 44 -4.505 -1.147 2.926
297 HG SER 44 HG SER 44 -6.086 -0.248 1.879
298 H CYS 45 HN CYS 45 -4.901 2.884 3.110
299 HA CYS 45 HA CYS 45 -2.377 4.102 2.438
300 HB2 CYS 45 HB2 CYS 45 -4.747 4.783 1.551
301 HB3 CYS 45 HB1 CYS 45 -4.853 5.723 3.046
302 H PHE 46 HN PHE 46 -4.644 4.191 5.057
303 HA PHE 46 HA PHE 46 -3.536 6.183 6.667
304 HB2 PHE 46 HB2 PHE 46 -5.681 5.596 7.295
305 HB3 PHE 46 HB1 PHE 46 -5.408 3.879 7.033
306 HD1 PHE 46 HD1 PHE 46 -4.631 6.662 9.411
307 HD2 PHE 46 HD2 PHE 46 -5.007 2.465 8.820
308 HE1 PHE 46 HE1 PHE 46 -4.349 6.329 11.725
309 HE2 PHE 46 HE2 PHE 46 -4.750 2.129 11.211
310 HZ PHE 46 HZ PHE 46 -4.419 4.040 12.690
311 H CYS 47 HN CYS 47 -3.376 2.668 7.246
312 HA CYS 47 HA CYS 47 -1.055 3.075 8.930
313 HB2 CYS 47 HB2 CYS 47 -3.043 1.485 9.358
314 HB3 CYS 47 HB1 CYS 47 -2.214 0.397 8.249
315 H GLU 48 HN GLU 48 -0.428 3.731 6.322
316 HA GLU 48 HA GLU 48 1.091 1.466 5.270
317 HB2 GLU 48 HB2 GLU 48 -0.224 3.004 3.751
318 HB3 GLU 48 HB1 GLU 48 0.920 4.275 4.161
319 HG2 GLU 48 HG2 GLU 48 2.738 2.940 3.234
320 HG3 GLU 48 HG1 GLU 48 1.590 1.665 2.825
321 H ASP 49 HN ASP 49 1.489 4.704 6.578
322 HA ASP 49 HA ASP 49 4.341 4.717 6.515
323 HB2 ASP 49 HB2 ASP 49 3.249 6.835 6.543
324 HB3 ASP 49 HB1 ASP 49 2.282 6.399 7.947
325 H HIS 50 HN HIS 50 1.921 4.186 9.045
326 HA HIS 50 HA HIS 50 4.030 3.264 10.840
327 HB2 HIS 50 HB2 HIS 50 2.036 3.236 12.513
328 HB3 HIS 50 HB1 HIS 50 2.751 4.770 12.035
329 HD1 HIS 50 HD1 HIS 50 -0.291 2.621 11.252
330 HD2 HIS 50 HD2 HIS 50 1.019 6.554 10.951
331 HE1 HIS 50 HE1 HIS 50 -2.298 3.959 10.529
332 HE2 HIS 50 HE2 HIS 50 -1.425 6.299 10.170
333 H CYS 51 HN CYS 51 3.694 1.526 8.863
334 HA CYS 51 HA CYS 51 1.830 -0.570 9.461
335 HB2 CYS 51 HB2 CYS 51 2.474 -0.531 7.194
336 HB3 CYS 51 HB1 CYS 51 4.174 -0.304 7.586
337 H HIS 52 HN HIS 52 2.312 -0.819 11.731
338 HA HIS 52 HA HIS 52 4.040 -2.975 12.298
339 HB2 HIS 52 HB2 HIS 52 5.765 -1.931 13.585
340 HB3 HIS 52 HB1 HIS 52 5.709 -1.077 12.048
341 HD1 HIS 52 HD1 HIS 52 3.622 1.038 12.493
342 HD2 HIS 52 HD2 HIS 52 6.327 -0.076 15.445
343 HE1 HIS 52 HE1 HIS 52 3.754 3.002 14.064
344 HE2 HIS 52 HE2 HIS 52 5.259 2.229 15.937
345 H GLY 53 HN GLY 53 4.335 -3.053 14.851
346 HA2 GLY 53 HA2 GLY 53 3.289 -3.296 16.868
347 HA3 GLY 53 HA1 GLY 53 2.576 -1.729 16.548
348 H VAL 54 HN VAL 54 0.445 -1.605 16.257
349 HA VAL 54 HA VAL 54 -1.072 -4.047 16.463
350 HB VAL 54 HB VAL 54 -1.442 -1.968 17.861
351 HG11 VAL 54 HG11 VAL 54 -3.261 -0.601 16.324
352 HG12 VAL 54 HG12 VAL 54 -1.927 -0.939 15.223
353 HG13 VAL 54 HG13 VAL 54 -1.625 -0.076 16.736
354 HG21 VAL 54 HG21 VAL 54 -3.825 -2.236 17.992
355 HG22 VAL 54 HG22 VAL 54 -3.080 -3.813 17.728
356 HG23 VAL 54 HG23 VAL 54 -3.870 -2.975 16.391
357 H CYS 55 HN CYS 55 0.082 -2.274 13.884
358 HA CYS 55 HA CYS 55 -2.136 -2.134 12.035
359 HB2 CYS 55 HB2 CYS 55 0.405 -1.266 11.939
360 HB3 CYS 55 HB1 CYS 55 0.660 -2.805 11.122
361 H LYS 56 HN LYS 56 -0.316 -4.717 13.389
362 HA LYS 56 HA LYS 56 -1.065 -6.626 11.303
363 HB2 LYS 56 HB2 LYS 56 1.219 -6.603 12.473
364 HB3 LYS 56 HB1 LYS 56 0.385 -7.198 13.898
365 HG2 LYS 56 HG2 LYS 56 0.096 -8.681 11.328
366 HG3 LYS 56 HG1 LYS 56 1.589 -8.840 12.254
367 HD2 LYS 56 HD2 LYS 56 -1.180 -9.341 13.352
368 HD3 LYS 56 HD1 LYS 56 -0.092 -10.596 12.761
369 HE2 LYS 56 HE2 LYS 56 1.576 -9.908 14.437
370 HE3 LYS 56 HE1 LYS 56 0.441 -8.713 15.060
371 HZ1 LYS 56 HZ1 LYS 56 0.143 -11.671 15.108
372 HZ2 LYS 56 HZ2 LYS 56 -1.112 -10.597 15.506
373 HZ3 LYS 56 HZ3 LYS 56 0.311 -10.624 16.439
374 H ASP 57 HN ASP 57 -2.072 -5.377 14.311
375 HA ASP 57 HA ASP 57 -3.720 -7.616 15.097
376 HB2 ASP 57 HB2 ASP 57 -2.534 -5.649 16.529
377 HB3 ASP 57 HB1 ASP 57 -4.132 -4.951 16.322
378 H LEU 58 HN LEU 58 -4.321 -4.250 13.947
379 HA LEU 58 HA LEU 58 -7.119 -4.758 13.825
380 HB2 LEU 58 HB2 LEU 58 -7.298 -2.549 12.651
381 HB3 LEU 58 HB1 LEU 58 -6.645 -2.528 14.259
382 HG LEU 58 HG LEU 58 -5.707 -1.038 12.234
383 HD11 LEU 58 HD11 LEU 58 -3.582 -1.947 14.026
384 HD12 LEU 58 HD12 LEU 58 -5.078 -1.431 14.805
385 HD13 LEU 58 HD13 LEU 58 -4.229 -0.330 13.718
386 HD21 LEU 58 HD21 LEU 58 -4.609 -2.280 10.761
387 HD22 LEU 58 HD22 LEU 58 -4.562 -3.684 11.829
388 HD23 LEU 58 HD23 LEU 58 -3.358 -2.407 11.999
389 H HIS 59 HN HIS 59 -4.736 -5.882 11.946
390 HA HIS 59 HA HIS 59 -4.697 -7.178 10.101
391 HB2 HIS 59 HB2 HIS 59 -7.646 -6.564 10.124
392 HB3 HIS 59 HB1 HIS 59 -6.910 -7.425 8.779
393 HD1 HIS 59 HD1 HIS 59 -6.620 -7.830 12.572
394 HD2 HIS 59 HD2 HIS 59 -7.381 -10.052 9.138
395 HE1 HIS 59 HE1 HIS 59 -6.949 -10.198 13.356
396 HE2 HIS 59 HE2 HIS 59 -7.589 -11.487 11.281
397 H LEU 60 HN LEU 60 -3.322 -5.369 9.552
398 HA LEU 60 HA LEU 60 -4.364 -3.939 7.228
399 HB2 LEU 60 HB2 LEU 60 -3.786 -2.908 9.755
400 HB3 LEU 60 HB1 LEU 60 -2.429 -2.436 8.747
401 HG LEU 60 HG LEU 60 -4.413 -0.840 8.932
402 HD11 LEU 60 HD11 LEU 60 -2.520 -0.772 7.409
403 HD12 LEU 60 HD12 LEU 60 -4.002 -0.136 6.677
404 HD13 LEU 60 HD13 LEU 60 -3.424 -1.754 6.258
405 HD21 LEU 60 HD21 LEU 60 -6.400 -1.399 8.030
406 HD22 LEU 60 HD22 LEU 60 -5.838 -3.062 8.273
407 HD23 LEU 60 HD23 LEU 60 -5.655 -2.274 6.685
408 H CYS 61 HN CYS 61 -1.294 -3.908 8.973
409 HA CYS 61 HA CYS 61 0.096 -5.184 6.760
410 HB2 CYS 61 HB2 CYS 61 -0.026 -2.808 6.136
411 HB3 CYS 61 HB1 CYS 61 0.679 -2.360 7.683
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 2.882 2.205 -6.217
2 H2 ALA 1 HT2 ALA 1 1.953 2.787 -7.546
3 H3 ALA 1 HT3 ALA 1 1.801 1.152 -7.033
4 HA ALA 1 HA ALA 1 1.300 2.542 -4.798
5 HB1 ALA 1 HB1 ALA 1 0.524 4.567 -5.264
6 HB2 ALA 1 HB2 ALA 1 -0.676 3.869 -6.356
7 HB3 ALA 1 HB3 ALA 1 0.918 4.323 -6.968
8 H MET 2 HN MET 2 0.925 0.069 -5.148
9 HA MET 2 HA MET 2 -1.629 -0.596 -6.306
10 HB2 MET 2 HB2 MET 2 0.282 -2.188 -6.370
11 HB3 MET 2 HB1 MET 2 0.219 -2.301 -4.616
12 HG2 MET 2 HG2 MET 2 -2.005 -3.262 -4.734
13 HG3 MET 2 HG1 MET 2 -2.003 -3.096 -6.488
14 HE1 MET 2 HE1 MET 2 -1.973 -6.657 -6.610
15 HE2 MET 2 HE2 MET 2 -2.947 -5.344 -5.945
16 HE3 MET 2 HE3 MET 2 -2.140 -6.476 -4.866
17 H GLY 3 HN GLY 3 -3.021 0.721 -5.108
18 HA2 GLY 3 HA2 GLY 3 -3.799 -0.393 -2.536
19 HA3 GLY 3 HA1 GLY 3 -3.222 1.251 -2.513
20 H LYS 4 HN LYS 4 -5.737 0.536 -1.678
21 HA LYS 4 HA LYS 4 -7.757 0.996 -3.634
22 HB2 LYS 4 HB2 LYS 4 -8.079 0.025 -1.268
23 HB3 LYS 4 HB1 LYS 4 -7.840 1.662 -0.680
24 HG2 LYS 4 HG2 LYS 4 -10.246 0.826 -0.962
25 HG3 LYS 4 HG1 LYS 4 -9.831 2.445 -1.518
26 HD2 LYS 4 HD2 LYS 4 -9.571 1.509 -3.821
27 HD3 LYS 4 HD1 LYS 4 -10.187 -0.028 -3.204
28 HE2 LYS 4 HE2 LYS 4 -12.292 0.888 -2.706
29 HE3 LYS 4 HE1 LYS 4 -11.703 2.540 -2.848
30 HZ1 LYS 4 HZ1 LYS 4 -13.012 1.158 -4.779
31 HZ2 LYS 4 HZ2 LYS 4 -11.400 1.015 -5.274
32 HZ3 LYS 4 HZ3 LYS 4 -12.083 2.555 -5.021
33 H CYS 5 HN CYS 5 -5.530 2.727 -1.852
34 HA CYS 5 HA CYS 5 -6.640 5.366 -2.422
35 HB2 CYS 5 HB2 CYS 5 -4.259 4.611 -0.748
36 HB3 CYS 5 HB1 CYS 5 -5.237 6.086 -0.631
37 H SER 6 HN SER 6 -5.980 5.298 -4.711
38 HA SER 6 HA SER 6 -3.339 4.794 -5.572
39 HB2 SER 6 HB2 SER 6 -5.431 6.543 -6.879
40 HB3 SER 6 HB1 SER 6 -4.008 5.860 -7.665
41 HG SER 6 HG SER 6 -5.432 4.345 -8.125
42 H VAL 7 HN VAL 7 -2.317 6.813 -6.977
43 HA VAL 7 HA VAL 7 -0.994 8.381 -5.121
44 HB VAL 7 HB VAL 7 -0.040 8.126 -7.260
45 HG11 VAL 7 HG11 VAL 7 -2.505 9.379 -8.403
46 HG12 VAL 7 HG12 VAL 7 -1.900 7.743 -8.656
47 HG13 VAL 7 HG13 VAL 7 -1.021 9.122 -9.319
48 HG21 VAL 7 HG21 VAL 7 -0.158 10.731 -8.040
49 HG22 VAL 7 HG22 VAL 7 0.899 10.096 -6.777
50 HG23 VAL 7 HG23 VAL 7 -0.648 10.825 -6.347
51 H LEU 8 HN LEU 8 -3.489 9.534 -7.343
52 HA LEU 8 HA LEU 8 -3.807 12.024 -5.977
53 HB2 LEU 8 HB2 LEU 8 -5.636 12.460 -7.465
54 HB3 LEU 8 HB1 LEU 8 -4.341 11.712 -8.375
55 HG LEU 8 HG LEU 8 -6.697 10.116 -7.374
56 HD11 LEU 8 HD11 LEU 8 -7.077 10.512 -10.074
57 HD12 LEU 8 HD12 LEU 8 -6.601 12.109 -9.490
58 HD13 LEU 8 HD13 LEU 8 -7.988 11.282 -8.772
59 HD21 LEU 8 HD21 LEU 8 -4.612 8.945 -8.158
60 HD22 LEU 8 HD22 LEU 8 -4.895 9.662 -9.745
61 HD23 LEU 8 HD23 LEU 8 -6.073 8.546 -9.059
62 H LYS 9 HN LYS 9 -5.148 8.876 -5.520
63 HA LYS 9 HA LYS 9 -7.393 9.814 -3.969
64 HB2 LYS 9 HB2 LYS 9 -6.315 7.114 -4.706
65 HB3 LYS 9 HB1 LYS 9 -7.569 7.287 -3.495
66 HG2 LYS 9 HG2 LYS 9 -9.063 8.286 -5.106
67 HG3 LYS 9 HG1 LYS 9 -7.786 8.291 -6.326
68 HD2 LYS 9 HD2 LYS 9 -7.752 5.894 -6.401
69 HD3 LYS 9 HD1 LYS 9 -8.843 5.781 -5.021
70 HE2 LYS 9 HE2 LYS 9 -9.583 7.038 -7.666
71 HE3 LYS 9 HE1 LYS 9 -9.906 5.356 -7.254
72 HZ1 LYS 9 HZ1 LYS 9 -11.860 6.635 -6.839
73 HZ2 LYS 9 HZ2 LYS 9 -11.012 7.771 -5.905
74 HZ3 LYS 9 HZ3 LYS 9 -11.221 6.183 -5.337
75 H LYS 10 HN LYS 10 -4.103 9.219 -3.404
76 HA LYS 10 HA LYS 10 -4.428 8.399 -0.653
77 HB2 LYS 10 HB2 LYS 10 -2.193 7.965 -0.620
78 HB3 LYS 10 HB1 LYS 10 -2.445 7.903 -2.359
79 HG2 LYS 10 HG2 LYS 10 -1.536 10.083 -2.649
80 HG3 LYS 10 HG1 LYS 10 -1.487 10.362 -0.905
81 HD2 LYS 10 HD2 LYS 10 0.110 8.320 -2.447
82 HD3 LYS 10 HD1 LYS 10 0.727 9.805 -1.719
83 HE2 LYS 10 HE2 LYS 10 0.125 8.974 0.503
84 HE3 LYS 10 HE1 LYS 10 -0.526 7.507 -0.217
85 HZ1 LYS 10 HZ1 LYS 10 1.911 7.387 -1.194
86 HZ2 LYS 10 HZ2 LYS 10 1.524 6.777 0.347
87 HZ3 LYS 10 HZ3 LYS 10 2.252 8.300 0.197
88 H VAL 11 HN VAL 11 -4.803 11.166 -2.286
89 HA VAL 11 HA VAL 11 -3.755 12.986 -0.289
90 HB VAL 11 HB VAL 11 -4.277 13.182 -2.995
91 HG11 VAL 11 HG11 VAL 11 -6.027 14.612 -3.473
92 HG12 VAL 11 HG12 VAL 11 -6.221 15.106 -1.791
93 HG13 VAL 11 HG13 VAL 11 -6.730 13.497 -2.302
94 HG21 VAL 11 HG21 VAL 11 -3.774 15.270 -0.918
95 HG22 VAL 11 HG22 VAL 11 -3.814 15.634 -2.643
96 HG23 VAL 11 HG23 VAL 11 -2.630 14.493 -2.012
97 H ALA 12 HN ALA 12 -6.604 11.317 -1.178
98 HA ALA 12 HA ALA 12 -8.337 12.896 0.547
99 HB1 ALA 12 HB1 ALA 12 -9.962 12.294 -0.822
100 HB2 ALA 12 HB2 ALA 12 -9.603 10.578 -0.597
101 HB3 ALA 12 HB3 ALA 12 -8.742 11.507 -1.825
102 H CYS 13 HN CYS 13 -6.616 9.853 0.721
103 HA CYS 13 HA CYS 13 -8.352 8.645 2.629
104 HB2 CYS 13 HB2 CYS 13 -6.142 7.417 3.334
105 HB3 CYS 13 HB1 CYS 13 -6.957 7.023 1.810
106 H ALA 14 HN ALA 14 -5.744 10.931 2.879
107 HA ALA 14 HA ALA 14 -5.285 10.654 5.647
108 HB1 ALA 14 HB1 ALA 14 -4.984 13.184 4.022
109 HB2 ALA 14 HB2 ALA 14 -3.809 11.869 4.011
110 HB3 ALA 14 HB3 ALA 14 -4.133 12.752 5.505
111 H ALA 15 HN ALA 15 -7.637 12.334 3.731
112 HA ALA 15 HA ALA 15 -8.758 13.781 5.952
113 HB1 ALA 15 HB1 ALA 15 -8.724 14.385 3.387
114 HB2 ALA 15 HB2 ALA 15 -10.065 14.865 4.426
115 HB3 ALA 15 HB3 ALA 15 -10.218 13.448 3.388
116 H ALA 16 HN ALA 16 -9.317 10.868 4.140
117 HA ALA 16 HA ALA 16 -11.900 10.216 5.070
118 HB1 ALA 16 HB1 ALA 16 -11.378 7.946 4.295
119 HB2 ALA 16 HB2 ALA 16 -9.691 8.421 4.089
120 HB3 ALA 16 HB3 ALA 16 -10.947 9.171 3.101
121 H ILE 17 HN ILE 17 -8.669 9.065 6.131
122 HA ILE 17 HA ILE 17 -9.869 7.780 8.367
123 HB ILE 17 HB ILE 17 -7.941 6.682 7.622
124 HG12 ILE 17 HG12 ILE 17 -8.262 7.347 10.166
125 HG13 ILE 17 HG11 ILE 17 -6.954 6.322 9.607
126 HG21 ILE 17 HG21 ILE 17 -5.671 7.964 8.074
127 HG22 ILE 17 HG22 ILE 17 -6.672 9.304 7.444
128 HG23 ILE 17 HG23 ILE 17 -6.431 7.843 6.448
129 HD11 ILE 17 HD11 ILE 17 -5.700 7.761 10.795
130 HD12 ILE 17 HD12 ILE 17 -6.887 9.058 10.658
131 HD13 ILE 17 HD13 ILE 17 -5.794 8.721 9.315
132 H ALA 18 HN ALA 18 -8.700 10.938 7.761
133 HA ALA 18 HA ALA 18 -7.983 11.900 10.262
134 HB1 ALA 18 HB1 ALA 18 -9.511 13.291 8.069
135 HB2 ALA 18 HB2 ALA 18 -7.774 13.332 8.361
136 HB3 ALA 18 HB3 ALA 18 -8.879 14.110 9.496
137 H GLY 19 HN GLY 19 -11.230 11.306 8.981
138 HA2 GLY 19 HA2 GLY 19 -12.601 12.525 11.169
139 HA3 GLY 19 HA1 GLY 19 -13.305 11.414 10.004
140 H ALA 20 HN ALA 20 -11.090 9.463 10.725
141 HA ALA 20 HA ALA 20 -12.514 8.182 12.886
142 HB1 ALA 20 HB1 ALA 20 -11.887 6.791 11.034
143 HB2 ALA 20 HB2 ALA 20 -10.949 6.305 12.444
144 HB3 ALA 20 HB3 ALA 20 -10.202 7.284 11.185
145 H VAL 21 HN VAL 21 -9.297 9.562 12.314
146 HA VAL 21 HA VAL 21 -8.291 8.780 14.861
147 HB VAL 21 HB VAL 21 -6.605 10.527 14.613
148 HG11 VAL 21 HG11 VAL 21 -5.434 9.575 12.750
149 HG12 VAL 21 HG12 VAL 21 -6.946 8.970 12.067
150 HG13 VAL 21 HG13 VAL 21 -6.328 8.293 13.573
151 HG21 VAL 21 HG21 VAL 21 -6.531 11.692 12.326
152 HG22 VAL 21 HG22 VAL 21 -7.592 12.326 13.591
153 HG23 VAL 21 HG23 VAL 21 -8.265 11.352 12.280
154 H ALA 22 HN ALA 22 -10.019 11.465 13.573
155 HA ALA 22 HA ALA 22 -10.009 13.258 15.706
156 HB1 ALA 22 HB1 ALA 22 -11.706 14.364 14.599
157 HB2 ALA 22 HB2 ALA 22 -12.470 12.866 14.055
158 HB3 ALA 22 HB3 ALA 22 -10.986 13.429 13.283
159 H ALA 23 HN ALA 23 -11.722 10.265 15.206
160 HA ALA 23 HA ALA 23 -13.714 10.611 17.192
161 HB1 ALA 23 HB1 ALA 23 -12.967 7.852 16.877
162 HB2 ALA 23 HB2 ALA 23 -13.035 8.643 15.295
163 HB3 ALA 23 HB3 ALA 23 -14.443 8.674 16.367
164 H CYS 24 HN CYS 24 -10.353 9.685 17.249
165 HA CYS 24 HA CYS 24 -10.575 9.027 20.105
166 HB2 CYS 24 HB2 CYS 24 -9.054 7.903 17.951
167 HB3 CYS 24 HB1 CYS 24 -7.952 8.480 19.198
168 H GLY 25 HN GLY 25 -9.078 11.283 17.854
169 HA2 GLY 25 HA2 GLY 25 -8.697 13.520 18.798
170 HA3 GLY 25 HA1 GLY 25 -7.986 12.714 20.182
171 H GLY 26 HN GLY 26 -7.286 11.367 17.115
172 HA2 GLY 26 HA2 GLY 26 -5.324 12.651 15.902
173 HA3 GLY 26 HA1 GLY 26 -4.501 12.211 17.397
174 H ILE 27 HN ILE 27 -3.173 11.130 15.521
175 HA ILE 27 HA ILE 27 -4.209 8.789 14.285
176 HB ILE 27 HB ILE 27 -1.352 9.689 14.741
177 HG12 ILE 27 HG12 ILE 27 -2.918 10.882 13.111
178 HG13 ILE 27 HG11 ILE 27 -1.419 10.253 12.426
179 HG21 ILE 27 HG21 ILE 27 -2.267 7.367 13.039
180 HG22 ILE 27 HG22 ILE 27 -1.544 7.180 14.640
181 HG23 ILE 27 HG23 ILE 27 -0.607 7.895 13.328
182 HD11 ILE 27 HD11 ILE 27 -2.701 9.295 10.879
183 HD12 ILE 27 HD12 ILE 27 -4.171 9.575 11.812
184 HD13 ILE 27 HD13 ILE 27 -3.178 8.147 12.135
185 H ASP 28 HN ASP 28 -5.261 7.774 16.027
186 HA ASP 28 HA ASP 28 -3.548 6.200 17.819
187 HB2 ASP 28 HB2 ASP 28 -6.479 6.977 17.949
188 HB3 ASP 28 HB1 ASP 28 -5.819 5.662 18.896
189 H LEU 29 HN LEU 29 -3.001 5.152 15.849
190 HA LEU 29 HA LEU 29 -4.561 4.198 13.933
191 HB2 LEU 29 HB2 LEU 29 -2.198 4.321 13.898
192 HB3 LEU 29 HB1 LEU 29 -2.028 3.003 15.054
193 HG LEU 29 HG LEU 29 -3.079 2.775 12.228
194 HD11 LEU 29 HD11 LEU 29 -0.879 3.330 11.901
195 HD12 LEU 29 HD12 LEU 29 -0.760 1.576 12.057
196 HD13 LEU 29 HD13 LEU 29 -0.354 2.612 13.426
197 HD21 LEU 29 HD21 LEU 29 -2.797 0.869 14.442
198 HD22 LEU 29 HD22 LEU 29 -2.137 0.334 12.896
199 HD23 LEU 29 HD23 LEU 29 -3.832 0.814 13.016
200 HA PRO 30 HA PRO 30 -5.607 0.032 16.135
201 HB2 PRO 30 HB2 PRO 30 -5.794 0.098 18.849
202 HB3 PRO 30 HB1 PRO 30 -4.339 -0.422 17.996
203 HG2 PRO 30 HG2 PRO 30 -4.948 2.203 19.285
204 HG3 PRO 30 HG1 PRO 30 -3.432 1.287 19.268
205 HD2 PRO 30 HD2 PRO 30 -3.898 3.437 17.663
206 HD3 PRO 30 HD1 PRO 30 -2.816 2.104 17.214
207 H CYS 31 HN CYS 31 -6.538 3.184 16.932
208 HA CYS 31 HA CYS 31 -9.219 2.476 17.823
209 HB2 CYS 31 HB2 CYS 31 -7.934 4.119 19.101
210 HB3 CYS 31 HB1 CYS 31 -7.774 5.116 17.676
211 H VAL 32 HN VAL 32 -7.675 4.689 15.506
212 HA VAL 32 HA VAL 32 -10.030 5.577 14.296
213 HB VAL 32 HB VAL 32 -8.720 6.859 12.983
214 HG11 VAL 32 HG11 VAL 32 -6.996 5.704 15.027
215 HG12 VAL 32 HG12 VAL 32 -7.383 7.387 14.661
216 HG13 VAL 32 HG13 VAL 32 -6.167 6.526 13.701
217 HG21 VAL 32 HG21 VAL 32 -7.169 4.430 12.192
218 HG22 VAL 32 HG22 VAL 32 -6.860 6.075 11.602
219 HG23 VAL 32 HG23 VAL 32 -8.410 5.285 11.250
220 H LEU 33 HN LEU 33 -8.276 2.588 13.710
221 HA LEU 33 HA LEU 33 -9.520 2.119 11.203
222 HB2 LEU 33 HB2 LEU 33 -7.379 1.057 12.273
223 HB3 LEU 33 HB1 LEU 33 -8.529 -0.120 12.894
224 HG LEU 33 HG LEU 33 -9.179 0.125 10.205
225 HD11 LEU 33 HD11 LEU 33 -7.302 0.111 8.918
226 HD12 LEU 33 HD12 LEU 33 -6.244 -0.369 10.257
227 HD13 LEU 33 HD13 LEU 33 -6.847 1.292 10.151
228 HD21 LEU 33 HD21 LEU 33 -8.504 -1.826 12.058
229 HD22 LEU 33 HD22 LEU 33 -7.402 -2.069 10.704
230 HD23 LEU 33 HD23 LEU 33 -9.146 -2.073 10.433
231 H ALA 34 HN ALA 34 -11.092 2.529 13.890
232 HA ALA 34 HA ALA 34 -12.895 0.223 13.624
233 HB1 ALA 34 HB1 ALA 34 -12.148 1.960 15.829
234 HB2 ALA 34 HB2 ALA 34 -12.958 0.392 15.855
235 HB3 ALA 34 HB3 ALA 34 -13.899 1.868 15.630
236 H ALA 35 HN ALA 35 -12.693 3.713 13.445
237 HA ALA 35 HA ALA 35 -15.417 3.939 12.423
238 HB1 ALA 35 HB1 ALA 35 -14.646 5.594 14.065
239 HB2 ALA 35 HB2 ALA 35 -15.040 6.347 12.518
240 HB3 ALA 35 HB3 ALA 35 -13.354 6.074 12.962
241 H LEU 36 HN LEU 36 -12.048 4.384 11.449
242 HA LEU 36 HA LEU 36 -12.559 5.347 8.832
243 HB2 LEU 36 HB2 LEU 36 -10.360 5.700 9.640
244 HB3 LEU 36 HB1 LEU 36 -10.175 4.015 10.109
245 HG LEU 36 HG LEU 36 -10.371 3.455 7.638
246 HD11 LEU 36 HD11 LEU 36 -9.452 5.553 6.340
247 HD12 LEU 36 HD12 LEU 36 -10.389 6.388 7.594
248 HD13 LEU 36 HD13 LEU 36 -11.172 5.195 6.533
249 HD21 LEU 36 HD21 LEU 36 -8.232 3.564 8.990
250 HD22 LEU 36 HD22 LEU 36 -7.966 5.133 8.218
251 HD23 LEU 36 HD23 LEU 36 -8.115 3.664 7.222
252 H LYS 37 HN LYS 37 -12.588 2.239 10.298
253 HA LYS 37 HA LYS 37 -11.940 0.653 8.143
254 HB2 LYS 37 HB2 LYS 37 -12.232 -0.244 10.409
255 HB3 LYS 37 HB1 LYS 37 -13.958 0.081 10.340
256 HG2 LYS 37 HG2 LYS 37 -13.610 -2.244 10.005
257 HG3 LYS 37 HG1 LYS 37 -14.154 -1.534 8.486
258 HD2 LYS 37 HD2 LYS 37 -11.833 -1.513 7.671
259 HD3 LYS 37 HD1 LYS 37 -11.298 -2.231 9.195
260 HE2 LYS 37 HE2 LYS 37 -12.849 -4.146 8.735
261 HE3 LYS 37 HE1 LYS 37 -13.130 -3.458 7.137
262 HZ1 LYS 37 HZ1 LYS 37 -11.479 -5.118 6.912
263 HZ2 LYS 37 HZ2 LYS 37 -10.582 -4.534 8.224
264 HZ3 LYS 37 HZ3 LYS 37 -10.660 -3.636 6.785
265 H ALA 38 HN ALA 38 -14.662 2.676 8.513
266 HA ALA 38 HA ALA 38 -16.651 1.360 7.026
267 HB1 ALA 38 HB1 ALA 38 -17.612 3.556 6.650
268 HB2 ALA 38 HB2 ALA 38 -16.089 4.334 7.090
269 HB3 ALA 38 HB3 ALA 38 -17.019 3.458 8.310
270 H ALA 39 HN ALA 39 -13.718 2.961 6.202
271 HA ALA 39 HA ALA 39 -14.140 3.187 3.374
272 HB1 ALA 39 HB1 ALA 39 -12.415 4.466 4.817
273 HB2 ALA 39 HB2 ALA 39 -11.861 3.842 3.264
274 HB3 ALA 39 HB3 ALA 39 -11.450 2.987 4.758
275 H GLU 40 HN GLU 40 -14.267 1.431 2.078
276 HA GLU 40 HA GLU 40 -14.022 -1.167 2.893
277 HB2 GLU 40 HB2 GLU 40 -13.989 -1.843 0.564
278 HB3 GLU 40 HB1 GLU 40 -15.138 -0.546 0.819
279 HG2 GLU 40 HG2 GLU 40 -12.375 -0.035 -0.233
280 HG3 GLU 40 HG1 GLU 40 -13.716 -0.480 -1.284
281 H GLY 41 HN GLY 41 -11.421 0.954 1.989
282 HA2 GLY 41 HA2 GLY 41 -9.519 -0.744 3.129
283 HA3 GLY 41 HA1 GLY 41 -9.508 -1.029 1.400
284 H CYS 42 HN CYS 42 -9.871 2.094 3.202
285 HA CYS 42 HA CYS 42 -7.441 2.876 1.737
286 HB2 CYS 42 HB2 CYS 42 -9.865 4.256 1.778
287 HB3 CYS 42 HB1 CYS 42 -8.849 5.128 2.914
288 H ALA 43 HN ALA 43 -8.249 1.562 4.379
289 HA ALA 43 HA ALA 43 -7.047 3.138 6.448
290 HB1 ALA 43 HB1 ALA 43 -7.355 0.149 6.398
291 HB2 ALA 43 HB2 ALA 43 -8.716 1.226 6.723
292 HB3 ALA 43 HB3 ALA 43 -7.319 1.217 7.799
293 H SER 44 HN SER 44 -6.171 1.143 3.912
294 HA SER 44 HA SER 44 -3.655 0.128 4.586
295 HB2 SER 44 HB2 SER 44 -3.451 0.087 2.068
296 HB3 SER 44 HB1 SER 44 -4.946 -0.634 2.677
297 HG SER 44 HG SER 44 -4.706 1.326 0.934
298 H CYS 45 HN CYS 45 -4.841 3.112 3.336
299 HA CYS 45 HA CYS 45 -2.327 4.378 2.762
300 HB2 CYS 45 HB2 CYS 45 -4.452 5.098 1.711
301 HB3 CYS 45 HB1 CYS 45 -5.042 5.617 3.293
302 H PHE 46 HN PHE 46 -4.694 4.556 5.351
303 HA PHE 46 HA PHE 46 -3.490 6.435 7.004
304 HB2 PHE 46 HB2 PHE 46 -5.626 5.910 7.664
305 HB3 PHE 46 HB1 PHE 46 -5.440 4.205 7.287
306 HD1 PHE 46 HD1 PHE 46 -4.647 6.788 9.916
307 HD2 PHE 46 HD2 PHE 46 -5.006 2.668 8.906
308 HE1 PHE 46 HE1 PHE 46 -4.503 6.258 12.148
309 HE2 PHE 46 HE2 PHE 46 -4.873 2.119 11.262
310 HZ PHE 46 HZ PHE 46 -4.626 3.904 12.920
311 H CYS 47 HN CYS 47 -3.277 2.854 7.243
312 HA CYS 47 HA CYS 47 -0.839 3.214 8.811
313 HB2 CYS 47 HB2 CYS 47 -2.285 1.529 9.704
314 HB3 CYS 47 HB1 CYS 47 -2.380 0.701 8.154
315 H GLU 48 HN GLU 48 -0.173 4.192 6.463
316 HA GLU 48 HA GLU 48 1.048 2.011 4.906
317 HB2 GLU 48 HB2 GLU 48 -0.286 3.913 3.764
318 HB3 GLU 48 HB1 GLU 48 1.090 4.937 4.142
319 HG2 GLU 48 HG2 GLU 48 2.518 3.258 2.910
320 HG3 GLU 48 HG1 GLU 48 1.015 2.526 2.352
321 H ASP 49 HN ASP 49 1.735 5.124 6.370
322 HA ASP 49 HA ASP 49 4.588 4.796 6.278
323 HB2 ASP 49 HB2 ASP 49 3.814 7.025 6.096
324 HB3 ASP 49 HB1 ASP 49 2.715 6.844 7.456
325 H HIS 50 HN HIS 50 2.001 4.310 8.573
326 HA HIS 50 HA HIS 50 3.930 3.592 10.653
327 HB2 HIS 50 HB2 HIS 50 1.290 3.276 11.652
328 HB3 HIS 50 HB1 HIS 50 2.496 4.451 12.134
329 HD1 HIS 50 HD1 HIS 50 -0.554 5.012 12.197
330 HD2 HIS 50 HD2 HIS 50 1.991 6.134 9.114
331 HE1 HIS 50 HE1 HIS 50 -1.694 6.938 11.068
332 HE2 HIS 50 HE2 HIS 50 -0.045 7.725 9.317
333 H CYS 51 HN CYS 51 3.778 1.842 8.511
334 HA CYS 51 HA CYS 51 1.989 -0.333 9.050
335 HB2 CYS 51 HB2 CYS 51 2.801 -0.199 6.808
336 HB3 CYS 51 HB1 CYS 51 4.475 -0.122 7.344
337 H HIS 52 HN HIS 52 2.348 -0.547 11.320
338 HA HIS 52 HA HIS 52 4.074 -2.644 12.055
339 HB2 HIS 52 HB2 HIS 52 5.611 -1.399 13.534
340 HB3 HIS 52 HB1 HIS 52 5.797 -0.908 11.856
341 HD1 HIS 52 HD1 HIS 52 6.948 1.242 13.066
342 HD2 HIS 52 HD2 HIS 52 2.822 0.890 13.442
343 HE1 HIS 52 HE1 HIS 52 6.132 3.518 13.769
344 HE2 HIS 52 HE2 HIS 52 3.651 3.230 14.148
345 H GLY 53 HN GLY 53 4.408 -1.985 14.749
346 HA2 GLY 53 HA2 GLY 53 3.301 -2.210 16.732
347 HA3 GLY 53 HA1 GLY 53 2.434 -0.798 16.170
348 H VAL 54 HN VAL 54 0.310 -0.945 15.911
349 HA VAL 54 HA VAL 54 -0.906 -3.517 16.449
350 HB VAL 54 HB VAL 54 -1.359 -1.412 17.763
351 HG11 VAL 54 HG11 VAL 54 -3.367 -0.537 15.845
352 HG12 VAL 54 HG12 VAL 54 -1.701 -0.307 15.320
353 HG13 VAL 54 HG13 VAL 54 -2.255 0.416 16.836
354 HG21 VAL 54 HG21 VAL 54 -3.532 -3.087 16.589
355 HG22 VAL 54 HG22 VAL 54 -3.918 -1.768 17.691
356 HG23 VAL 54 HG23 VAL 54 -2.877 -3.086 18.227
357 H CYS 55 HN CYS 55 -0.064 -2.132 13.610
358 HA CYS 55 HA CYS 55 -2.539 -2.312 12.075
359 HB2 CYS 55 HB2 CYS 55 0.389 -2.364 11.269
360 HB3 CYS 55 HB1 CYS 55 -0.956 -2.354 10.154
361 H LYS 56 HN LYS 56 -0.227 -4.242 13.451
362 HA LYS 56 HA LYS 56 -0.592 -6.602 11.850
363 HB2 LYS 56 HB2 LYS 56 1.012 -5.752 14.232
364 HB3 LYS 56 HB1 LYS 56 0.823 -7.447 13.896
365 HG2 LYS 56 HG2 LYS 56 1.760 -5.644 11.724
366 HG3 LYS 56 HG1 LYS 56 2.880 -6.123 13.000
367 HD2 LYS 56 HD2 LYS 56 1.267 -8.152 11.494
368 HD3 LYS 56 HD1 LYS 56 2.807 -7.553 10.867
369 HE2 LYS 56 HE2 LYS 56 3.940 -8.264 12.889
370 HE3 LYS 56 HE1 LYS 56 2.415 -8.780 13.599
371 HZ1 LYS 56 HZ1 LYS 56 3.892 -10.555 12.607
372 HZ2 LYS 56 HZ2 LYS 56 3.441 -9.959 11.087
373 HZ3 LYS 56 HZ3 LYS 56 2.261 -10.573 12.139
374 H ASP 57 HN ASP 57 -2.180 -4.977 14.303
375 HA ASP 57 HA ASP 57 -3.386 -7.387 15.464
376 HB2 ASP 57 HB2 ASP 57 -2.419 -5.295 16.793
377 HB3 ASP 57 HB1 ASP 57 -4.001 -4.630 16.426
378 H LEU 58 HN LEU 58 -4.416 -4.161 14.204
379 HA LEU 58 HA LEU 58 -7.125 -4.998 14.142
380 HB2 LEU 58 HB2 LEU 58 -7.577 -2.862 12.888
381 HB3 LEU 58 HB1 LEU 58 -6.950 -2.744 14.509
382 HG LEU 58 HG LEU 58 -6.159 -1.138 12.550
383 HD11 LEU 58 HD11 LEU 58 -4.032 -2.061 14.404
384 HD12 LEU 58 HD12 LEU 58 -5.530 -1.386 15.048
385 HD13 LEU 58 HD13 LEU 58 -4.534 -0.428 13.948
386 HD21 LEU 58 HD21 LEU 58 -3.914 -1.866 11.774
387 HD22 LEU 58 HD22 LEU 58 -5.254 -2.766 11.060
388 HD23 LEU 58 HD23 LEU 58 -4.289 -3.489 12.352
389 H HIS 59 HN HIS 59 -4.669 -5.682 12.012
390 HA HIS 59 HA HIS 59 -4.666 -7.119 10.253
391 HB2 HIS 59 HB2 HIS 59 -7.314 -7.343 10.923
392 HB3 HIS 59 HB1 HIS 59 -7.417 -6.632 9.315
393 HD1 HIS 59 HD1 HIS 59 -5.890 -8.020 7.458
394 HD2 HIS 59 HD2 HIS 59 -7.093 -10.015 10.899
395 HE1 HIS 59 HE1 HIS 59 -5.683 -10.475 6.922
396 HE2 HIS 59 HE2 HIS 59 -6.307 -11.670 9.061
397 H LEU 60 HN LEU 60 -3.315 -5.386 9.657
398 HA LEU 60 HA LEU 60 -4.374 -3.947 7.359
399 HB2 LEU 60 HB2 LEU 60 -4.003 -2.843 9.846
400 HB3 LEU 60 HB1 LEU 60 -2.508 -2.441 9.023
401 HG LEU 60 HG LEU 60 -4.383 -0.735 8.885
402 HD11 LEU 60 HD11 LEU 60 -3.610 -0.077 6.788
403 HD12 LEU 60 HD12 LEU 60 -3.426 -1.750 6.234
404 HD13 LEU 60 HD13 LEU 60 -2.314 -1.087 7.442
405 HD21 LEU 60 HD21 LEU 60 -6.330 -1.298 7.933
406 HD22 LEU 60 HD22 LEU 60 -5.811 -2.978 8.149
407 HD23 LEU 60 HD23 LEU 60 -5.532 -2.139 6.594
408 H CYS 61 HN CYS 61 -1.338 -3.468 8.999
409 HA CYS 61 HA CYS 61 0.112 -4.840 6.851
410 HB2 CYS 61 HB2 CYS 61 -0.117 -2.354 6.398
411 HB3 CYS 61 HB1 CYS 61 0.836 -2.073 7.849
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 -1.127 -0.389 -7.695
2 H2 ALA 1 HT2 ALA 1 0.074 -1.132 -6.717
3 H3 ALA 1 HT3 ALA 1 0.343 0.438 -7.369
4 HA ALA 1 HA ALA 1 -0.416 1.266 -5.538
5 HB1 ALA 1 HB1 ALA 1 -2.877 1.104 -5.135
6 HB2 ALA 1 HB2 ALA 1 -2.962 -0.068 -6.452
7 HB3 ALA 1 HB3 ALA 1 -2.438 1.586 -6.774
8 H MET 2 HN MET 2 -0.662 0.913 -3.336
9 HA MET 2 HA MET 2 -0.248 -1.834 -2.531
10 HB2 MET 2 HB2 MET 2 0.143 -0.736 -0.248
11 HB3 MET 2 HB1 MET 2 1.311 -0.418 -1.519
12 HG2 MET 2 HG2 MET 2 0.935 1.633 -0.426
13 HG3 MET 2 HG1 MET 2 0.085 1.734 -1.966
14 HE1 MET 2 HE1 MET 2 -1.295 3.838 -1.088
15 HE2 MET 2 HE2 MET 2 -0.536 3.776 0.505
16 HE3 MET 2 HE3 MET 2 -2.292 3.821 0.366
17 H GLY 3 HN GLY 3 -2.759 0.482 -2.555
18 HA2 GLY 3 HA2 GLY 3 -4.541 -1.396 -1.227
19 HA3 GLY 3 HA1 GLY 3 -4.373 0.169 -0.496
20 H LYS 4 HN LYS 4 -6.687 0.128 -0.883
21 HA LYS 4 HA LYS 4 -7.810 0.405 -3.486
22 HB2 LYS 4 HB2 LYS 4 -9.002 -0.168 -1.312
23 HB3 LYS 4 HB1 LYS 4 -8.782 1.510 -0.835
24 HG2 LYS 4 HG2 LYS 4 -11.035 1.106 -1.672
25 HG3 LYS 4 HG1 LYS 4 -10.166 2.253 -2.691
26 HD2 LYS 4 HD2 LYS 4 -9.700 0.471 -4.302
27 HD3 LYS 4 HD1 LYS 4 -10.567 -0.681 -3.277
28 HE2 LYS 4 HE2 LYS 4 -11.772 1.812 -4.481
29 HE3 LYS 4 HE1 LYS 4 -11.940 0.192 -5.159
30 HZ1 LYS 4 HZ1 LYS 4 -13.822 1.004 -3.714
31 HZ2 LYS 4 HZ2 LYS 4 -12.779 0.841 -2.391
32 HZ3 LYS 4 HZ3 LYS 4 -13.193 -0.519 -3.320
33 H CYS 5 HN CYS 5 -5.757 2.141 -1.692
34 HA CYS 5 HA CYS 5 -6.497 4.815 -2.592
35 HB2 CYS 5 HB2 CYS 5 -4.370 3.958 -0.648
36 HB3 CYS 5 HB1 CYS 5 -5.215 5.522 -0.714
37 H SER 6 HN SER 6 -5.285 5.780 -4.181
38 HA SER 6 HA SER 6 -2.780 4.511 -4.979
39 HB2 SER 6 HB2 SER 6 -3.070 5.871 -7.087
40 HB3 SER 6 HB1 SER 6 -4.290 4.626 -6.819
41 HG SER 6 HG SER 6 -5.500 6.341 -7.283
42 H VAL 7 HN VAL 7 -1.521 6.547 -6.283
43 HA VAL 7 HA VAL 7 -0.261 7.920 -4.182
44 HB VAL 7 HB VAL 7 0.966 7.498 -6.155
45 HG11 VAL 7 HG11 VAL 7 -0.825 7.392 -7.765
46 HG12 VAL 7 HG12 VAL 7 0.461 8.460 -8.337
47 HG13 VAL 7 HG13 VAL 7 -1.025 9.144 -7.676
48 HG21 VAL 7 HG21 VAL 7 0.883 10.006 -5.014
49 HG22 VAL 7 HG22 VAL 7 0.858 10.319 -6.749
50 HG23 VAL 7 HG23 VAL 7 2.162 9.363 -6.047
51 H LEU 8 HN LEU 8 -2.257 9.252 -6.774
52 HA LEU 8 HA LEU 8 -2.488 11.837 -5.564
53 HB2 LEU 8 HB2 LEU 8 -4.098 12.284 -7.373
54 HB3 LEU 8 HB1 LEU 8 -2.593 11.600 -7.955
55 HG LEU 8 HG LEU 8 -4.023 9.345 -7.770
56 HD11 LEU 8 HD11 LEU 8 -5.964 11.025 -7.066
57 HD12 LEU 8 HD12 LEU 8 -6.263 9.547 -7.982
58 HD13 LEU 8 HD13 LEU 8 -6.158 11.097 -8.819
59 HD21 LEU 8 HD21 LEU 8 -3.438 11.272 -9.895
60 HD22 LEU 8 HD22 LEU 8 -4.796 10.205 -10.245
61 HD23 LEU 8 HD23 LEU 8 -3.218 9.521 -9.859
62 H LYS 9 HN LYS 9 -4.321 8.889 -5.275
63 HA LYS 9 HA LYS 9 -6.578 10.218 -4.139
64 HB2 LYS 9 HB2 LYS 9 -7.302 8.441 -5.313
65 HB3 LYS 9 HB1 LYS 9 -5.789 7.581 -5.159
66 HG2 LYS 9 HG2 LYS 9 -6.345 6.809 -3.032
67 HG3 LYS 9 HG1 LYS 9 -7.801 7.801 -2.962
68 HD2 LYS 9 HD2 LYS 9 -7.315 5.558 -4.941
69 HD3 LYS 9 HD1 LYS 9 -8.270 5.406 -3.467
70 HE2 LYS 9 HE2 LYS 9 -9.843 5.739 -5.179
71 HE3 LYS 9 HE1 LYS 9 -9.705 7.305 -4.382
72 HZ1 LYS 9 HZ1 LYS 9 -7.920 6.888 -6.635
73 HZ2 LYS 9 HZ2 LYS 9 -8.838 8.254 -6.211
74 HZ3 LYS 9 HZ3 LYS 9 -9.564 6.956 -7.020
75 H LYS 10 HN LYS 10 -3.537 9.343 -3.150
76 HA LYS 10 HA LYS 10 -4.065 8.471 -0.457
77 HB2 LYS 10 HB2 LYS 10 -1.954 7.941 -1.666
78 HB3 LYS 10 HB1 LYS 10 -1.564 9.654 -1.696
79 HG2 LYS 10 HG2 LYS 10 -1.366 9.695 0.709
80 HG3 LYS 10 HG1 LYS 10 -1.886 8.010 0.807
81 HD2 LYS 10 HD2 LYS 10 0.104 7.357 -0.508
82 HD3 LYS 10 HD1 LYS 10 0.625 9.044 -0.512
83 HE2 LYS 10 HE2 LYS 10 0.164 7.420 1.989
84 HE3 LYS 10 HE1 LYS 10 1.738 7.618 1.218
85 HZ1 LYS 10 HZ1 LYS 10 1.170 10.123 1.442
86 HZ2 LYS 10 HZ2 LYS 10 1.782 9.267 2.768
87 HZ3 LYS 10 HZ3 LYS 10 0.122 9.596 2.667
88 H VAL 11 HN VAL 11 -4.282 11.302 -2.156
89 HA VAL 11 HA VAL 11 -3.653 13.165 -0.050
90 HB VAL 11 HB VAL 11 -3.773 13.289 -2.798
91 HG11 VAL 11 HG11 VAL 11 -6.126 14.879 -1.810
92 HG12 VAL 11 HG12 VAL 11 -6.198 13.431 -2.817
93 HG13 VAL 11 HG13 VAL 11 -5.452 14.901 -3.441
94 HG21 VAL 11 HG21 VAL 11 -2.597 15.117 -2.422
95 HG22 VAL 11 HG22 VAL 11 -2.936 14.885 -0.704
96 HG23 VAL 11 HG23 VAL 11 -3.973 15.934 -1.675
97 H ALA 12 HN ALA 12 -6.328 11.431 -1.332
98 HA ALA 12 HA ALA 12 -8.312 12.975 0.137
99 HB1 ALA 12 HB1 ALA 12 -9.774 11.059 -1.028
100 HB2 ALA 12 HB2 ALA 12 -8.378 11.064 -2.105
101 HB3 ALA 12 HB3 ALA 12 -9.293 12.549 -1.842
102 H CYS 13 HN CYS 13 -6.481 10.076 0.676
103 HA CYS 13 HA CYS 13 -8.497 8.714 2.177
104 HB2 CYS 13 HB2 CYS 13 -6.656 7.398 3.205
105 HB3 CYS 13 HB1 CYS 13 -6.657 7.362 1.434
106 H ALA 14 HN ALA 14 -6.420 11.346 2.837
107 HA ALA 14 HA ALA 14 -6.289 11.119 5.647
108 HB1 ALA 14 HB1 ALA 14 -5.144 13.055 5.545
109 HB2 ALA 14 HB2 ALA 14 -6.389 13.857 4.583
110 HB3 ALA 14 HB3 ALA 14 -5.199 12.814 3.799
111 H ALA 15 HN ALA 15 -8.559 12.752 3.466
112 HA ALA 15 HA ALA 15 -10.178 13.938 5.435
113 HB1 ALA 15 HB1 ALA 15 -10.222 13.625 2.610
114 HB2 ALA 15 HB2 ALA 15 -11.138 14.760 3.605
115 HB3 ALA 15 HB3 ALA 15 -11.805 13.167 3.239
116 H ALA 16 HN ALA 16 -9.979 10.719 4.173
117 HA ALA 16 HA ALA 16 -12.461 9.788 5.211
118 HB1 ALA 16 HB1 ALA 16 -10.929 8.859 3.284
119 HB2 ALA 16 HB2 ALA 16 -11.962 7.787 4.229
120 HB3 ALA 16 HB3 ALA 16 -10.244 7.908 4.603
121 H ILE 17 HN ILE 17 -9.043 9.146 6.213
122 HA ILE 17 HA ILE 17 -10.034 7.918 8.578
123 HB ILE 17 HB ILE 17 -8.152 6.835 7.962
124 HG12 ILE 17 HG12 ILE 17 -8.064 8.066 10.346
125 HG13 ILE 17 HG11 ILE 17 -6.881 6.882 9.808
126 HG21 ILE 17 HG21 ILE 17 -6.967 9.392 7.135
127 HG22 ILE 17 HG22 ILE 17 -6.991 7.823 6.297
128 HG23 ILE 17 HG23 ILE 17 -5.909 8.088 7.702
129 HD11 ILE 17 HD11 ILE 17 -5.976 9.287 8.768
130 HD12 ILE 17 HD12 ILE 17 -5.325 8.415 10.154
131 HD13 ILE 17 HD13 ILE 17 -6.534 9.676 10.395
132 H ALA 18 HN ALA 18 -9.047 11.140 7.826
133 HA ALA 18 HA ALA 18 -8.254 12.119 10.297
134 HB1 ALA 18 HB1 ALA 18 -8.514 13.325 8.011
135 HB2 ALA 18 HB2 ALA 18 -8.683 14.246 9.510
136 HB3 ALA 18 HB3 ALA 18 -10.119 13.739 8.617
137 H GLY 19 HN GLY 19 -11.508 11.427 9.133
138 HA2 GLY 19 HA2 GLY 19 -12.864 12.577 11.370
139 HA3 GLY 19 HA1 GLY 19 -13.549 11.450 10.204
140 H ALA 20 HN ALA 20 -11.363 9.501 10.742
141 HA ALA 20 HA ALA 20 -12.631 8.195 12.974
142 HB1 ALA 20 HB1 ALA 20 -12.032 6.941 10.960
143 HB2 ALA 20 HB2 ALA 20 -11.253 6.297 12.409
144 HB3 ALA 20 HB3 ALA 20 -10.330 7.284 11.275
145 H VAL 21 HN VAL 21 -9.522 9.717 12.288
146 HA VAL 21 HA VAL 21 -8.365 8.839 14.752
147 HB VAL 21 HB VAL 21 -6.668 10.519 14.473
148 HG11 VAL 21 HG11 VAL 21 -6.545 8.379 13.220
149 HG12 VAL 21 HG12 VAL 21 -5.640 9.704 12.482
150 HG13 VAL 21 HG13 VAL 21 -7.203 9.224 11.820
151 HG21 VAL 21 HG21 VAL 21 -7.719 12.414 13.679
152 HG22 VAL 21 HG22 VAL 21 -8.382 11.574 12.274
153 HG23 VAL 21 HG23 VAL 21 -6.649 11.909 12.370
154 H ALA 22 HN ALA 22 -10.132 11.577 13.620
155 HA ALA 22 HA ALA 22 -10.037 13.266 15.842
156 HB1 ALA 22 HB1 ALA 22 -11.811 12.923 13.513
157 HB2 ALA 22 HB2 ALA 22 -11.083 14.386 14.182
158 HB3 ALA 22 HB3 ALA 22 -12.540 13.711 14.910
159 H ALA 23 HN ALA 23 -11.692 10.266 15.297
160 HA ALA 23 HA ALA 23 -13.680 10.527 17.304
161 HB1 ALA 23 HB1 ALA 23 -12.928 8.583 15.394
162 HB2 ALA 23 HB2 ALA 23 -14.364 8.604 16.422
163 HB3 ALA 23 HB3 ALA 23 -12.900 7.796 16.979
164 H CYS 24 HN CYS 24 -10.301 9.660 17.305
165 HA CYS 24 HA CYS 24 -10.462 8.984 20.167
166 HB2 CYS 24 HB2 CYS 24 -9.083 7.787 18.017
167 HB3 CYS 24 HB1 CYS 24 -7.855 8.539 19.029
168 H GLY 25 HN GLY 25 -8.520 10.879 17.847
169 HA2 GLY 25 HA2 GLY 25 -8.361 13.262 19.037
170 HA3 GLY 25 HA1 GLY 25 -7.226 12.324 19.996
171 H GLY 26 HN GLY 26 -6.446 10.684 17.689
172 HA2 GLY 26 HA2 GLY 26 -5.391 12.317 15.623
173 HA3 GLY 26 HA1 GLY 26 -4.161 11.998 16.842
174 H ILE 27 HN ILE 27 -3.033 10.828 15.075
175 HA ILE 27 HA ILE 27 -4.171 8.520 13.868
176 HB ILE 27 HB ILE 27 -1.278 9.375 14.138
177 HG12 ILE 27 HG12 ILE 27 -2.982 10.598 12.655
178 HG13 ILE 27 HG11 ILE 27 -1.494 10.047 11.881
179 HG21 ILE 27 HG21 ILE 27 -1.571 6.859 13.984
180 HG22 ILE 27 HG22 ILE 27 -0.629 7.603 12.693
181 HG23 ILE 27 HG23 ILE 27 -2.305 7.129 12.399
182 HD11 ILE 27 HD11 ILE 27 -4.016 9.577 10.971
183 HD12 ILE 27 HD12 ILE 27 -3.644 8.071 11.830
184 HD13 ILE 27 HD13 ILE 27 -2.579 8.650 10.537
185 H ASP 28 HN ASP 28 -5.116 7.572 15.732
186 HA ASP 28 HA ASP 28 -3.309 5.907 17.342
187 HB2 ASP 28 HB2 ASP 28 -6.151 6.873 17.710
188 HB3 ASP 28 HB1 ASP 28 -5.590 5.427 18.530
189 H LEU 29 HN LEU 29 -2.925 4.732 15.395
190 HA LEU 29 HA LEU 29 -4.628 3.889 13.588
191 HB2 LEU 29 HB2 LEU 29 -3.102 1.875 13.238
192 HB3 LEU 29 HB1 LEU 29 -2.476 3.484 13.037
193 HG LEU 29 HG LEU 29 -2.000 1.807 15.508
194 HD11 LEU 29 HD11 LEU 29 -0.313 0.778 14.484
195 HD12 LEU 29 HD12 LEU 29 0.288 2.286 13.797
196 HD13 LEU 29 HD13 LEU 29 -0.975 1.376 12.964
197 HD21 LEU 29 HD21 LEU 29 0.044 3.674 15.087
198 HD22 LEU 29 HD22 LEU 29 -1.182 3.708 16.356
199 HD23 LEU 29 HD23 LEU 29 -1.457 4.557 14.834
200 HA PRO 30 HA PRO 30 -6.130 -0.086 15.740
201 HB2 PRO 30 HB2 PRO 30 -6.205 0.287 18.579
202 HB3 PRO 30 HB1 PRO 30 -5.323 -0.934 17.668
203 HG2 PRO 30 HG2 PRO 30 -4.195 1.172 19.096
204 HG3 PRO 30 HG1 PRO 30 -3.370 0.176 17.889
205 HD2 PRO 30 HD2 PRO 30 -4.422 2.928 17.669
206 HD3 PRO 30 HD1 PRO 30 -3.119 2.139 16.761
207 H CYS 31 HN CYS 31 -6.593 3.095 16.983
208 HA CYS 31 HA CYS 31 -9.337 2.687 17.781
209 HB2 CYS 31 HB2 CYS 31 -7.637 4.197 18.926
210 HB3 CYS 31 HB1 CYS 31 -7.869 5.302 17.589
211 H VAL 32 HN VAL 32 -7.612 4.658 15.337
212 HA VAL 32 HA VAL 32 -10.005 5.698 14.218
213 HB VAL 32 HB VAL 32 -8.697 6.933 12.846
214 HG11 VAL 32 HG11 VAL 32 -6.797 5.690 14.737
215 HG12 VAL 32 HG12 VAL 32 -7.414 7.347 14.657
216 HG13 VAL 32 HG13 VAL 32 -6.203 6.789 13.491
217 HG21 VAL 32 HG21 VAL 32 -7.009 6.199 11.351
218 HG22 VAL 32 HG22 VAL 32 -8.428 5.146 11.212
219 HG23 VAL 32 HG23 VAL 32 -6.995 4.586 12.092
220 H LEU 33 HN LEU 33 -8.343 2.674 13.760
221 HA LEU 33 HA LEU 33 -9.662 2.059 11.316
222 HB2 LEU 33 HB2 LEU 33 -7.524 1.040 12.710
223 HB3 LEU 33 HB1 LEU 33 -8.752 -0.208 12.876
224 HG LEU 33 HG LEU 33 -8.799 0.599 10.180
225 HD11 LEU 33 HD11 LEU 33 -6.014 -0.235 10.843
226 HD12 LEU 33 HD12 LEU 33 -6.468 1.473 10.938
227 HD13 LEU 33 HD13 LEU 33 -6.650 0.599 9.416
228 HD21 LEU 33 HD21 LEU 33 -7.426 -1.824 10.418
229 HD22 LEU 33 HD22 LEU 33 -9.150 -1.577 10.157
230 HD23 LEU 33 HD23 LEU 33 -8.528 -1.734 11.797
231 H ALA 34 HN ALA 34 -11.112 2.600 14.089
232 HA ALA 34 HA ALA 34 -12.788 0.200 14.059
233 HB1 ALA 34 HB1 ALA 34 -12.014 2.007 16.105
234 HB2 ALA 34 HB2 ALA 34 -13.052 0.589 16.242
235 HB3 ALA 34 HB3 ALA 34 -13.757 2.166 15.894
236 H ALA 35 HN ALA 35 -12.641 3.490 13.132
237 HA ALA 35 HA ALA 35 -15.434 3.463 12.206
238 HB1 ALA 35 HB1 ALA 35 -15.529 5.730 12.515
239 HB2 ALA 35 HB2 ALA 35 -13.797 5.942 12.252
240 HB3 ALA 35 HB3 ALA 35 -14.385 5.296 13.784
241 H LEU 36 HN LEU 36 -12.099 4.212 11.354
242 HA LEU 36 HA LEU 36 -12.589 4.909 8.645
243 HB2 LEU 36 HB2 LEU 36 -10.557 5.689 9.624
244 HB3 LEU 36 HB1 LEU 36 -10.108 4.069 10.142
245 HG LEU 36 HG LEU 36 -10.104 3.477 7.646
246 HD11 LEU 36 HD11 LEU 36 -11.170 5.222 6.681
247 HD12 LEU 36 HD12 LEU 36 -9.476 5.516 6.291
248 HD13 LEU 36 HD13 LEU 36 -10.259 6.439 7.592
249 HD21 LEU 36 HD21 LEU 36 -7.879 4.052 7.327
250 HD22 LEU 36 HD22 LEU 36 -8.063 3.762 9.068
251 HD23 LEU 36 HD23 LEU 36 -7.970 5.418 8.451
252 H LYS 37 HN LYS 37 -12.331 1.892 10.294
253 HA LYS 37 HA LYS 37 -11.157 0.405 8.285
254 HB2 LYS 37 HB2 LYS 37 -11.905 -0.278 10.724
255 HB3 LYS 37 HB1 LYS 37 -13.377 -0.806 9.918
256 HG2 LYS 37 HG2 LYS 37 -10.995 -1.807 8.596
257 HG3 LYS 37 HG1 LYS 37 -11.100 -2.300 10.289
258 HD2 LYS 37 HD2 LYS 37 -13.416 -3.082 9.870
259 HD3 LYS 37 HD1 LYS 37 -13.205 -2.678 8.164
260 HE2 LYS 37 HE2 LYS 37 -12.844 -5.068 8.620
261 HE3 LYS 37 HE1 LYS 37 -11.418 -4.276 7.956
262 HZ1 LYS 37 HZ1 LYS 37 -10.954 -4.019 10.571
263 HZ2 LYS 37 HZ2 LYS 37 -10.407 -5.335 9.648
264 HZ3 LYS 37 HZ3 LYS 37 -11.827 -5.475 10.575
265 H ALA 38 HN ALA 38 -14.354 1.675 8.477
266 HA ALA 38 HA ALA 38 -15.197 0.128 6.128
267 HB1 ALA 38 HB1 ALA 38 -17.345 1.698 6.871
268 HB2 ALA 38 HB2 ALA 38 -16.598 1.270 8.410
269 HB3 ALA 38 HB3 ALA 38 -17.104 0.001 7.293
270 H ALA 39 HN ALA 39 -13.211 2.088 5.826
271 HA ALA 39 HA ALA 39 -14.542 4.404 4.624
272 HB1 ALA 39 HB1 ALA 39 -12.032 5.063 4.300
273 HB2 ALA 39 HB2 ALA 39 -11.747 3.821 5.533
274 HB3 ALA 39 HB3 ALA 39 -12.796 5.208 5.883
275 H GLU 40 HN GLU 40 -14.981 2.059 3.236
276 HA GLU 40 HA GLU 40 -14.918 1.183 1.137
277 HB2 GLU 40 HB2 GLU 40 -15.017 3.686 0.599
278 HB3 GLU 40 HB1 GLU 40 -13.287 3.594 0.326
279 HG2 GLU 40 HG2 GLU 40 -13.580 2.117 -1.511
280 HG3 GLU 40 HG1 GLU 40 -15.298 1.925 -1.154
281 H GLY 41 HN GLY 41 -12.569 1.209 3.171
282 HA2 GLY 41 HA2 GLY 41 -10.732 -0.165 3.378
283 HA3 GLY 41 HA1 GLY 41 -10.894 -0.588 1.678
284 H CYS 42 HN CYS 42 -10.288 2.517 3.446
285 HA CYS 42 HA CYS 42 -7.934 2.745 1.693
286 HB2 CYS 42 HB2 CYS 42 -10.051 4.517 1.661
287 HB3 CYS 42 HB1 CYS 42 -8.913 5.281 2.746
288 H ALA 43 HN ALA 43 -8.664 1.733 4.429
289 HA ALA 43 HA ALA 43 -7.248 3.337 6.309
290 HB1 ALA 43 HB1 ALA 43 -8.361 1.923 7.627
291 HB2 ALA 43 HB2 ALA 43 -7.213 0.665 7.156
292 HB3 ALA 43 HB3 ALA 43 -8.722 0.870 6.261
293 H SER 44 HN SER 44 -6.555 1.065 3.878
294 HA SER 44 HA SER 44 -3.973 0.199 4.597
295 HB2 SER 44 HB2 SER 44 -5.259 -0.946 2.877
296 HB3 SER 44 HB1 SER 44 -5.327 0.514 1.886
297 HG SER 44 HG SER 44 -3.493 -1.388 1.856
298 H CYS 45 HN CYS 45 -5.248 3.151 3.368
299 HA CYS 45 HA CYS 45 -2.732 4.258 2.413
300 HB2 CYS 45 HB2 CYS 45 -5.120 4.938 1.647
301 HB3 CYS 45 HB1 CYS 45 -5.209 5.824 3.169
302 H PHE 46 HN PHE 46 -4.893 4.467 5.114
303 HA PHE 46 HA PHE 46 -3.717 6.423 6.668
304 HB2 PHE 46 HB2 PHE 46 -5.828 5.755 7.361
305 HB3 PHE 46 HB1 PHE 46 -5.468 4.046 7.165
306 HD1 PHE 46 HD1 PHE 46 -5.041 6.967 9.437
307 HD2 PHE 46 HD2 PHE 46 -4.642 2.754 8.937
308 HE1 PHE 46 HE1 PHE 46 -4.647 6.751 11.735
309 HE2 PHE 46 HE2 PHE 46 -4.263 2.531 11.329
310 HZ PHE 46 HZ PHE 46 -4.240 4.508 12.756
311 H CYS 47 HN CYS 47 -3.310 2.860 7.106
312 HA CYS 47 HA CYS 47 -0.951 3.429 8.710
313 HB2 CYS 47 HB2 CYS 47 -2.776 1.671 9.212
314 HB3 CYS 47 HB1 CYS 47 -1.928 0.679 8.032
315 H GLU 48 HN GLU 48 -0.344 4.240 6.204
316 HA GLU 48 HA GLU 48 1.105 2.057 4.909
317 HB2 GLU 48 HB2 GLU 48 -0.200 4.073 3.738
318 HB3 GLU 48 HB1 GLU 48 1.351 4.876 3.955
319 HG2 GLU 48 HG2 GLU 48 2.215 2.588 2.891
320 HG3 GLU 48 HG1 GLU 48 0.605 2.637 2.180
321 H ASP 49 HN ASP 49 1.682 5.224 6.352
322 HA ASP 49 HA ASP 49 4.527 5.073 6.284
323 HB2 ASP 49 HB2 ASP 49 3.256 7.207 6.394
324 HB3 ASP 49 HB1 ASP 49 2.716 6.780 8.014
325 H HIS 50 HN HIS 50 2.179 4.868 8.947
326 HA HIS 50 HA HIS 50 4.200 3.741 10.683
327 HB2 HIS 50 HB2 HIS 50 2.222 3.712 12.343
328 HB3 HIS 50 HB1 HIS 50 2.891 5.261 11.852
329 HD1 HIS 50 HD1 HIS 50 -0.098 3.035 11.171
330 HD2 HIS 50 HD2 HIS 50 1.114 6.978 10.684
331 HE1 HIS 50 HE1 HIS 50 -2.145 4.287 10.408
332 HE2 HIS 50 HE2 HIS 50 -1.305 6.606 9.876
333 H CYS 51 HN CYS 51 3.888 2.080 8.657
334 HA CYS 51 HA CYS 51 2.033 -0.056 9.145
335 HB2 CYS 51 HB2 CYS 51 2.676 0.136 6.885
336 HB3 CYS 51 HB1 CYS 51 4.373 0.354 7.289
337 H HIS 52 HN HIS 52 2.652 -0.208 11.464
338 HA HIS 52 HA HIS 52 4.354 -2.434 11.929
339 HB2 HIS 52 HB2 HIS 52 5.976 -1.202 13.410
340 HB3 HIS 52 HB1 HIS 52 6.124 -0.833 11.697
341 HD1 HIS 52 HD1 HIS 52 4.063 0.717 14.530
342 HD2 HIS 52 HD2 HIS 52 6.581 1.802 11.397
343 HE1 HIS 52 HE1 HIS 52 4.124 3.232 14.551
344 HE2 HIS 52 HE2 HIS 52 5.683 3.875 12.668
345 H GLY 53 HN GLY 53 4.743 -2.622 14.412
346 HA2 GLY 53 HA2 GLY 53 3.842 -2.909 16.487
347 HA3 GLY 53 HA1 GLY 53 3.113 -1.332 16.265
348 H VAL 54 HN VAL 54 0.966 -1.211 16.177
349 HA VAL 54 HA VAL 54 -0.526 -3.646 16.439
350 HB VAL 54 HB VAL 54 -0.868 -1.514 17.796
351 HG11 VAL 54 HG11 VAL 54 -0.941 0.207 16.276
352 HG12 VAL 54 HG12 VAL 54 -2.645 -0.026 16.662
353 HG13 VAL 54 HG13 VAL 54 -1.981 -0.679 15.163
354 HG21 VAL 54 HG21 VAL 54 -2.566 -2.839 18.372
355 HG22 VAL 54 HG22 VAL 54 -2.869 -3.340 16.707
356 HG23 VAL 54 HG23 VAL 54 -3.536 -1.820 17.308
357 H CYS 55 HN CYS 55 0.523 -1.905 13.810
358 HA CYS 55 HA CYS 55 -1.780 -1.797 12.131
359 HB2 CYS 55 HB2 CYS 55 0.642 -0.822 11.803
360 HB3 CYS 55 HB1 CYS 55 0.974 -2.379 11.049
361 H LYS 56 HN LYS 56 0.018 -4.350 13.405
362 HA LYS 56 HA LYS 56 -0.642 -6.282 11.346
363 HB2 LYS 56 HB2 LYS 56 1.492 -6.575 12.445
364 HB3 LYS 56 HB1 LYS 56 0.739 -6.498 14.036
365 HG2 LYS 56 HG2 LYS 56 0.183 -8.662 14.012
366 HG3 LYS 56 HG1 LYS 56 -0.299 -8.630 12.314
367 HD2 LYS 56 HD2 LYS 56 2.047 -8.730 11.645
368 HD3 LYS 56 HD1 LYS 56 2.543 -8.729 13.340
369 HE2 LYS 56 HE2 LYS 56 1.455 -10.846 13.707
370 HE3 LYS 56 HE1 LYS 56 0.788 -10.830 12.074
371 HZ1 LYS 56 HZ1 LYS 56 2.980 -12.143 12.682
372 HZ2 LYS 56 HZ2 LYS 56 3.691 -10.640 12.353
373 HZ3 LYS 56 HZ3 LYS 56 2.768 -11.409 11.163
374 H ASP 57 HN ASP 57 -1.805 -5.081 14.378
375 HA ASP 57 HA ASP 57 -3.630 -7.254 14.858
376 HB2 ASP 57 HB2 ASP 57 -2.592 -5.144 16.398
377 HB3 ASP 57 HB1 ASP 57 -4.324 -4.837 16.279
378 H LEU 58 HN LEU 58 -3.956 -3.843 13.756
379 HA LEU 58 HA LEU 58 -6.750 -4.235 13.345
380 HB2 LEU 58 HB2 LEU 58 -6.794 -2.008 12.274
381 HB3 LEU 58 HB1 LEU 58 -6.192 -2.034 13.904
382 HG LEU 58 HG LEU 58 -5.146 -0.508 12.002
383 HD11 LEU 58 HD11 LEU 58 -3.920 0.107 13.700
384 HD12 LEU 58 HD12 LEU 58 -2.920 -1.343 13.545
385 HD13 LEU 58 HD13 LEU 58 -4.365 -1.380 14.551
386 HD21 LEU 58 HD21 LEU 58 -3.321 -2.881 11.901
387 HD22 LEU 58 HD22 LEU 58 -3.225 -1.380 10.976
388 HD23 LEU 58 HD23 LEU 58 -4.523 -2.534 10.663
389 H HIS 59 HN HIS 59 -4.162 -5.308 11.757
390 HA HIS 59 HA HIS 59 -3.802 -6.530 9.927
391 HB2 HIS 59 HB2 HIS 59 -6.597 -6.776 10.438
392 HB3 HIS 59 HB1 HIS 59 -6.318 -6.799 8.699
393 HD1 HIS 59 HD1 HIS 59 -4.572 -8.428 11.685
394 HD2 HIS 59 HD2 HIS 59 -5.984 -9.337 7.880
395 HE1 HIS 59 HE1 HIS 59 -4.047 -10.863 11.335
396 HE2 HIS 59 HE2 HIS 59 -4.702 -11.324 8.938
397 H LEU 60 HN LEU 60 -2.889 -4.258 9.221
398 HA LEU 60 HA LEU 60 -4.109 -3.729 6.588
399 HB2 LEU 60 HB2 LEU 60 -2.473 -1.780 8.193
400 HB3 LEU 60 HB1 LEU 60 -3.226 -1.484 6.642
401 HG LEU 60 HG LEU 60 -4.502 -1.697 9.331
402 HD11 LEU 60 HD11 LEU 60 -4.003 0.337 7.323
403 HD12 LEU 60 HD12 LEU 60 -4.196 0.458 9.074
404 HD13 LEU 60 HD13 LEU 60 -5.619 0.361 8.032
405 HD21 LEU 60 HD21 LEU 60 -5.751 -2.240 6.672
406 HD22 LEU 60 HD22 LEU 60 -6.684 -1.450 7.947
407 HD23 LEU 60 HD23 LEU 60 -5.997 -3.058 8.223
408 H CYS 61 HN CYS 61 -1.036 -2.906 8.139
409 HA CYS 61 HA CYS 61 0.397 -4.387 6.055
410 HB2 CYS 61 HB2 CYS 61 0.311 -2.055 5.355
411 HB3 CYS 61 HB1 CYS 61 0.895 -1.532 6.928
Start of MODEL 11
1 H1 ALA 1 HT1 ALA 1 -1.969 -2.237 -5.762
2 H2 ALA 1 HT2 ALA 1 -0.355 -2.010 -6.303
3 H3 ALA 1 HT3 ALA 1 -1.664 -1.669 -7.355
4 HA ALA 1 HA ALA 1 -0.561 0.273 -6.349
5 HB1 ALA 1 HB1 ALA 1 -2.666 0.686 -7.272
6 HB2 ALA 1 HB2 ALA 1 -2.817 1.275 -5.616
7 HB3 ALA 1 HB3 ALA 1 -3.494 -0.291 -6.061
8 H MET 2 HN MET 2 -0.893 1.741 -4.391
9 HA MET 2 HA MET 2 -0.122 0.280 -2.034
10 HB2 MET 2 HB2 MET 2 -0.565 3.232 -2.505
11 HB3 MET 2 HB1 MET 2 0.017 2.552 -0.994
12 HG2 MET 2 HG2 MET 2 1.991 1.695 -2.131
13 HG3 MET 2 HG1 MET 2 1.406 2.357 -3.655
14 HE1 MET 2 HE1 MET 2 4.581 4.295 -2.153
15 HE2 MET 2 HE2 MET 2 3.970 4.143 -3.799
16 HE3 MET 2 HE3 MET 2 4.088 2.719 -2.768
17 H GLY 3 HN GLY 3 -2.239 -0.883 -1.965
18 HA2 GLY 3 HA2 GLY 3 -4.135 -1.172 -0.616
19 HA3 GLY 3 HA1 GLY 3 -3.967 0.482 -0.090
20 H LYS 4 HN LYS 4 -6.261 0.483 -0.341
21 HA LYS 4 HA LYS 4 -7.361 0.462 -3.006
22 HB2 LYS 4 HB2 LYS 4 -8.446 -0.220 -0.747
23 HB3 LYS 4 HB1 LYS 4 -8.646 1.505 -0.507
24 HG2 LYS 4 HG2 LYS 4 -10.622 1.256 -1.542
25 HG3 LYS 4 HG1 LYS 4 -9.669 1.191 -3.026
26 HD2 LYS 4 HD2 LYS 4 -9.503 -1.375 -2.373
27 HD3 LYS 4 HD1 LYS 4 -10.997 -0.997 -1.513
28 HE2 LYS 4 HE2 LYS 4 -11.649 -1.764 -3.651
29 HE3 LYS 4 HE1 LYS 4 -11.852 -0.011 -3.679
30 HZ1 LYS 4 HZ1 LYS 4 -9.289 -0.428 -4.569
31 HZ2 LYS 4 HZ2 LYS 4 -10.626 -0.066 -5.533
32 HZ3 LYS 4 HZ3 LYS 4 -10.173 -1.689 -5.284
33 H CYS 5 HN CYS 5 -5.254 2.276 -1.819
34 HA CYS 5 HA CYS 5 -6.444 4.903 -2.300
35 HB2 CYS 5 HB2 CYS 5 -3.893 4.114 -0.890
36 HB3 CYS 5 HB1 CYS 5 -4.635 5.724 -0.891
37 H SER 6 HN SER 6 -6.129 5.200 -4.526
38 HA SER 6 HA SER 6 -3.596 4.570 -5.744
39 HB2 SER 6 HB2 SER 6 -4.635 5.634 -7.776
40 HB3 SER 6 HB1 SER 6 -5.550 4.275 -7.121
41 HG SER 6 HG SER 6 -6.901 6.055 -7.597
42 H VAL 7 HN VAL 7 -3.152 6.719 -7.409
43 HA VAL 7 HA VAL 7 -1.578 8.401 -5.884
44 HB VAL 7 HB VAL 7 -1.172 8.267 -8.192
45 HG11 VAL 7 HG11 VAL 7 -2.636 8.338 -9.883
46 HG12 VAL 7 HG12 VAL 7 -3.579 9.638 -9.159
47 HG13 VAL 7 HG13 VAL 7 -3.785 7.980 -8.596
48 HG21 VAL 7 HG21 VAL 7 -0.485 10.364 -8.424
49 HG22 VAL 7 HG22 VAL 7 -1.375 10.719 -6.940
50 HG23 VAL 7 HG23 VAL 7 -2.141 10.967 -8.512
51 H LEU 8 HN LEU 8 -4.654 9.280 -7.382
52 HA LEU 8 HA LEU 8 -4.813 11.688 -5.857
53 HB2 LEU 8 HB2 LEU 8 -6.899 12.135 -6.944
54 HB3 LEU 8 HB1 LEU 8 -5.734 11.568 -8.111
55 HG LEU 8 HG LEU 8 -7.842 10.692 -8.727
56 HD11 LEU 8 HD11 LEU 8 -5.711 8.985 -8.087
57 HD12 LEU 8 HD12 LEU 8 -6.964 8.771 -9.304
58 HD13 LEU 8 HD13 LEU 8 -7.200 8.139 -7.676
59 HD21 LEU 8 HD21 LEU 8 -9.430 9.756 -7.402
60 HD22 LEU 8 HD22 LEU 8 -8.707 10.903 -6.276
61 HD23 LEU 8 HD23 LEU 8 -8.266 9.199 -6.204
62 H LYS 9 HN LYS 9 -5.866 8.437 -5.264
63 HA LYS 9 HA LYS 9 -7.815 9.212 -3.311
64 HB2 LYS 9 HB2 LYS 9 -6.507 6.553 -3.866
65 HB3 LYS 9 HB1 LYS 9 -7.779 6.805 -2.689
66 HG2 LYS 9 HG2 LYS 9 -9.087 7.787 -4.725
67 HG3 LYS 9 HG1 LYS 9 -7.915 6.852 -5.661
68 HD2 LYS 9 HD2 LYS 9 -8.559 4.867 -4.209
69 HD3 LYS 9 HD1 LYS 9 -9.909 5.843 -3.636
70 HE2 LYS 9 HE2 LYS 9 -9.377 4.861 -6.434
71 HE3 LYS 9 HE1 LYS 9 -10.751 4.493 -5.390
72 HZ1 LYS 9 HZ1 LYS 9 -11.805 6.135 -6.409
73 HZ2 LYS 9 HZ2 LYS 9 -10.404 6.649 -7.207
74 HZ3 LYS 9 HZ3 LYS 9 -10.758 7.229 -5.654
75 H LYS 10 HN LYS 10 -4.435 9.022 -3.415
76 HA LYS 10 HA LYS 10 -4.013 8.454 -0.625
77 HB2 LYS 10 HB2 LYS 10 -2.295 9.143 -2.938
78 HB3 LYS 10 HB1 LYS 10 -1.707 9.646 -1.357
79 HG2 LYS 10 HG2 LYS 10 -1.948 7.303 -0.570
80 HG3 LYS 10 HG1 LYS 10 -2.413 6.844 -2.214
81 HD2 LYS 10 HD2 LYS 10 -0.049 6.391 -1.806
82 HD3 LYS 10 HD1 LYS 10 -0.261 7.623 -3.050
83 HE2 LYS 10 HE2 LYS 10 1.535 8.230 -1.520
84 HE3 LYS 10 HE1 LYS 10 0.199 9.374 -1.407
85 HZ1 LYS 10 HZ1 LYS 10 -0.196 7.302 0.460
86 HZ2 LYS 10 HZ2 LYS 10 0.044 8.951 0.759
87 HZ3 LYS 10 HZ3 LYS 10 1.374 7.894 0.647
88 H VAL 11 HN VAL 11 -5.088 11.057 -2.394
89 HA VAL 11 HA VAL 11 -4.189 13.069 -0.486
90 HB VAL 11 HB VAL 11 -4.717 13.140 -3.202
91 HG11 VAL 11 HG11 VAL 11 -7.081 13.196 -3.000
92 HG12 VAL 11 HG12 VAL 11 -6.533 14.806 -3.458
93 HG13 VAL 11 HG13 VAL 11 -7.003 14.479 -1.791
94 HG21 VAL 11 HG21 VAL 11 -3.780 15.174 -3.089
95 HG22 VAL 11 HG22 VAL 11 -3.480 14.697 -1.417
96 HG23 VAL 11 HG23 VAL 11 -4.861 15.721 -1.808
97 H ALA 12 HN ALA 12 -6.797 11.058 -1.345
98 HA ALA 12 HA ALA 12 -8.790 12.463 0.209
99 HB1 ALA 12 HB1 ALA 12 -8.800 10.340 -1.781
100 HB2 ALA 12 HB2 ALA 12 -10.039 11.528 -1.380
101 HB3 ALA 12 HB3 ALA 12 -9.909 10.043 -0.442
102 H CYS 13 HN CYS 13 -6.716 9.620 0.621
103 HA CYS 13 HA CYS 13 -8.128 8.482 2.791
104 HB2 CYS 13 HB2 CYS 13 -5.796 7.596 3.485
105 HB3 CYS 13 HB1 CYS 13 -6.503 7.029 1.962
106 H ALA 14 HN ALA 14 -5.720 11.005 2.609
107 HA ALA 14 HA ALA 14 -5.129 11.185 5.335
108 HB1 ALA 14 HB1 ALA 14 -5.189 13.732 3.860
109 HB2 ALA 14 HB2 ALA 14 -4.253 12.447 3.087
110 HB3 ALA 14 HB3 ALA 14 -3.865 12.956 4.733
111 H ALA 15 HN ALA 15 -7.795 12.399 3.444
112 HA ALA 15 HA ALA 15 -8.841 13.981 5.619
113 HB1 ALA 15 HB1 ALA 15 -9.609 15.084 3.832
114 HB2 ALA 15 HB2 ALA 15 -10.818 13.807 3.701
115 HB3 ALA 15 HB3 ALA 15 -9.322 13.709 2.768
116 H ALA 16 HN ALA 16 -9.517 10.997 3.910
117 HA ALA 16 HA ALA 16 -11.929 10.277 5.121
118 HB1 ALA 16 HB1 ALA 16 -10.171 9.138 3.267
119 HB2 ALA 16 HB2 ALA 16 -11.774 8.556 3.729
120 HB3 ALA 16 HB3 ALA 16 -10.341 7.955 4.565
121 H ILE 17 HN ILE 17 -8.604 9.227 5.986
122 HA ILE 17 HA ILE 17 -9.630 7.953 8.307
123 HB ILE 17 HB ILE 17 -7.655 7.028 7.224
124 HG12 ILE 17 HG12 ILE 17 -8.173 6.993 9.769
125 HG13 ILE 17 HG11 ILE 17 -6.657 6.358 9.150
126 HG21 ILE 17 HG21 ILE 17 -6.545 9.662 7.461
127 HG22 ILE 17 HG22 ILE 17 -5.965 8.262 6.525
128 HG23 ILE 17 HG23 ILE 17 -5.526 8.440 8.262
129 HD11 ILE 17 HD11 ILE 17 -5.736 7.635 10.731
130 HD12 ILE 17 HD12 ILE 17 -7.158 8.665 10.857
131 HD13 ILE 17 HD13 ILE 17 -5.984 8.940 9.572
132 H ALA 18 HN ALA 18 -8.374 11.112 7.635
133 HA ALA 18 HA ALA 18 -7.654 12.026 10.155
134 HB1 ALA 18 HB1 ALA 18 -7.875 13.247 7.763
135 HB2 ALA 18 HB2 ALA 18 -7.687 14.121 9.287
136 HB3 ALA 18 HB3 ALA 18 -9.290 13.919 8.579
137 H GLY 19 HN GLY 19 -10.886 11.613 8.782
138 HA2 GLY 19 HA2 GLY 19 -12.289 12.833 10.945
139 HA3 GLY 19 HA1 GLY 19 -12.984 11.759 9.740
140 H ALA 20 HN ALA 20 -10.923 9.688 10.444
141 HA ALA 20 HA ALA 20 -12.446 8.404 12.503
142 HB1 ALA 20 HB1 ALA 20 -11.806 6.809 11.028
143 HB2 ALA 20 HB2 ALA 20 -10.438 6.706 12.139
144 HB3 ALA 20 HB3 ALA 20 -10.289 7.626 10.640
145 H VAL 21 HN VAL 21 -9.194 9.812 12.241
146 HA VAL 21 HA VAL 21 -8.420 8.960 14.859
147 HB VAL 21 HB VAL 21 -6.614 10.503 14.769
148 HG11 VAL 21 HG11 VAL 21 -5.473 9.273 13.305
149 HG12 VAL 21 HG12 VAL 21 -6.430 9.885 11.959
150 HG13 VAL 21 HG13 VAL 21 -7.013 8.509 12.899
151 HG21 VAL 21 HG21 VAL 21 -6.419 11.943 12.618
152 HG22 VAL 21 HG22 VAL 21 -7.301 12.517 14.038
153 HG23 VAL 21 HG23 VAL 21 -8.183 11.846 12.660
154 H ALA 22 HN ALA 22 -9.947 11.712 13.468
155 HA ALA 22 HA ALA 22 -10.089 13.444 15.654
156 HB1 ALA 22 HB1 ALA 22 -10.792 14.496 13.749
157 HB2 ALA 22 HB2 ALA 22 -12.361 14.071 14.429
158 HB3 ALA 22 HB3 ALA 22 -11.657 13.078 13.151
159 H ALA 23 HN ALA 23 -11.767 10.508 14.897
160 HA ALA 23 HA ALA 23 -13.937 10.871 16.711
161 HB1 ALA 23 HB1 ALA 23 -13.534 8.121 16.363
162 HB2 ALA 23 HB2 ALA 23 -13.072 8.864 14.830
163 HB3 ALA 23 HB3 ALA 23 -14.677 9.151 15.505
164 H CYS 24 HN CYS 24 -10.661 9.563 16.912
165 HA CYS 24 HA CYS 24 -11.176 8.798 19.697
166 HB2 CYS 24 HB2 CYS 24 -9.913 7.342 17.884
167 HB3 CYS 24 HB1 CYS 24 -8.535 8.303 18.413
168 H GLY 25 HN GLY 25 -8.421 10.391 17.965
169 HA2 GLY 25 HA2 GLY 25 -8.498 12.723 19.510
170 HA3 GLY 25 HA1 GLY 25 -7.444 11.588 20.329
171 H GLY 26 HN GLY 26 -6.273 10.400 17.958
172 HA2 GLY 26 HA2 GLY 26 -5.280 12.150 16.077
173 HA3 GLY 26 HA1 GLY 26 -4.275 12.404 17.492
174 H ILE 27 HN ILE 27 -5.021 10.380 14.856
175 HA ILE 27 HA ILE 27 -4.243 8.437 14.039
176 HB ILE 27 HB ILE 27 -1.683 9.827 14.830
177 HG12 ILE 27 HG12 ILE 27 -3.308 10.866 13.200
178 HG13 ILE 27 HG11 ILE 27 -1.709 10.536 12.528
179 HG21 ILE 27 HG21 ILE 27 -0.439 8.369 13.455
180 HG22 ILE 27 HG22 ILE 27 -1.898 7.661 12.747
181 HG23 ILE 27 HG23 ILE 27 -1.449 7.286 14.419
182 HD11 ILE 27 HD11 ILE 27 -4.093 9.779 11.406
183 HD12 ILE 27 HD12 ILE 27 -3.570 8.300 12.228
184 HD13 ILE 27 HD13 ILE 27 -2.517 9.077 11.039
185 H ASP 28 HN ASP 28 -5.351 7.828 16.342
186 HA ASP 28 HA ASP 28 -3.577 6.050 17.829
187 HB2 ASP 28 HB2 ASP 28 -6.549 5.920 18.117
188 HB3 ASP 28 HB1 ASP 28 -5.316 5.879 19.357
189 H LEU 29 HN LEU 29 -3.000 4.818 15.920
190 HA LEU 29 HA LEU 29 -4.571 4.093 13.936
191 HB2 LEU 29 HB2 LEU 29 -3.072 2.224 13.441
192 HB3 LEU 29 HB1 LEU 29 -2.279 3.743 13.742
193 HG LEU 29 HG LEU 29 -2.414 1.539 15.805
194 HD11 LEU 29 HD11 LEU 29 -1.092 1.361 13.406
195 HD12 LEU 29 HD12 LEU 29 -0.654 0.508 14.884
196 HD13 LEU 29 HD13 LEU 29 0.141 2.024 14.477
197 HD21 LEU 29 HD21 LEU 29 -0.133 3.293 15.908
198 HD22 LEU 29 HD22 LEU 29 -1.333 2.942 17.152
199 HD23 LEU 29 HD23 LEU 29 -1.629 4.226 15.981
200 HA PRO 30 HA PRO 30 -6.307 0.067 15.820
201 HB2 PRO 30 HB2 PRO 30 -6.483 -0.198 18.495
202 HB3 PRO 30 HB1 PRO 30 -5.046 -0.704 17.599
203 HG2 PRO 30 HG2 PRO 30 -5.510 1.800 19.168
204 HG3 PRO 30 HG1 PRO 30 -4.076 0.761 19.124
205 HD2 PRO 30 HD2 PRO 30 -4.285 3.091 17.717
206 HD3 PRO 30 HD1 PRO 30 -3.285 1.720 17.198
207 H CYS 31 HN CYS 31 -6.774 3.233 16.882
208 HA CYS 31 HA CYS 31 -9.526 2.802 17.722
209 HB2 CYS 31 HB2 CYS 31 -7.666 4.286 18.874
210 HB3 CYS 31 HB1 CYS 31 -8.235 5.482 17.724
211 H VAL 32 HN VAL 32 -7.650 4.787 15.398
212 HA VAL 32 HA VAL 32 -9.970 5.921 14.184
213 HB VAL 32 HB VAL 32 -8.534 7.131 12.908
214 HG11 VAL 32 HG11 VAL 32 -6.534 5.677 14.577
215 HG12 VAL 32 HG12 VAL 32 -7.325 7.226 14.912
216 HG13 VAL 32 HG13 VAL 32 -6.166 7.087 13.579
217 HG21 VAL 32 HG21 VAL 32 -8.383 5.440 11.213
218 HG22 VAL 32 HG22 VAL 32 -7.091 4.629 12.121
219 HG23 VAL 32 HG23 VAL 32 -6.830 6.253 11.460
220 H LEU 33 HN LEU 33 -8.168 2.956 13.717
221 HA LEU 33 HA LEU 33 -9.316 2.254 11.229
222 HB2 LEU 33 HB2 LEU 33 -7.219 1.335 12.493
223 HB3 LEU 33 HB1 LEU 33 -8.373 0.226 13.206
224 HG LEU 33 HG LEU 33 -8.968 0.010 10.545
225 HD11 LEU 33 HD11 LEU 33 -5.964 -0.086 10.608
226 HD12 LEU 33 HD12 LEU 33 -6.801 1.433 10.229
227 HD13 LEU 33 HD13 LEU 33 -7.071 0.009 9.226
228 HD21 LEU 33 HD21 LEU 33 -8.086 -1.559 12.637
229 HD22 LEU 33 HD22 LEU 33 -6.923 -1.856 11.343
230 HD23 LEU 33 HD23 LEU 33 -8.645 -2.112 11.058
231 H ALA 34 HN ALA 34 -10.729 2.533 14.241
232 HA ALA 34 HA ALA 34 -12.564 0.299 13.929
233 HB1 ALA 34 HB1 ALA 34 -11.760 1.067 16.184
234 HB2 ALA 34 HB2 ALA 34 -13.514 0.954 16.020
235 HB3 ALA 34 HB3 ALA 34 -12.722 2.530 15.956
236 H ALA 35 HN ALA 35 -12.311 3.627 13.148
237 HA ALA 35 HA ALA 35 -15.153 3.754 12.377
238 HB1 ALA 35 HB1 ALA 35 -13.708 6.256 12.199
239 HB2 ALA 35 HB2 ALA 35 -13.620 5.562 13.815
240 HB3 ALA 35 HB3 ALA 35 -15.187 5.871 13.074
241 H LEU 36 HN LEU 36 -11.845 4.341 11.326
242 HA LEU 36 HA LEU 36 -12.442 5.179 8.690
243 HB2 LEU 36 HB2 LEU 36 -10.280 5.714 9.503
244 HB3 LEU 36 HB1 LEU 36 -9.964 4.052 9.983
245 HG LEU 36 HG LEU 36 -10.155 3.485 7.490
246 HD11 LEU 36 HD11 LEU 36 -10.412 6.387 7.484
247 HD12 LEU 36 HD12 LEU 36 -10.938 5.156 6.308
248 HD13 LEU 36 HD13 LEU 36 -9.260 5.723 6.310
249 HD21 LEU 36 HD21 LEU 36 -8.012 3.742 8.888
250 HD22 LEU 36 HD22 LEU 36 -7.825 5.261 8.000
251 HD23 LEU 36 HD23 LEU 36 -7.922 3.724 7.118
252 H LYS 37 HN LYS 37 -12.296 2.092 10.223
253 HA LYS 37 HA LYS 37 -11.544 0.574 8.019
254 HB2 LYS 37 HB2 LYS 37 -12.072 -0.048 10.585
255 HB3 LYS 37 HB1 LYS 37 -13.572 -0.620 9.862
256 HG2 LYS 37 HG2 LYS 37 -11.004 -1.458 8.630
257 HG3 LYS 37 HG1 LYS 37 -11.483 -2.194 10.158
258 HD2 LYS 37 HD2 LYS 37 -13.647 -2.821 9.129
259 HD3 LYS 37 HD1 LYS 37 -13.081 -2.157 7.596
260 HE2 LYS 37 HE2 LYS 37 -11.331 -3.786 7.463
261 HE3 LYS 37 HE1 LYS 37 -11.681 -4.367 9.094
262 HZ1 LYS 37 HZ1 LYS 37 -12.707 -5.375 6.768
263 HZ2 LYS 37 HZ2 LYS 37 -13.983 -4.449 7.401
264 HZ3 LYS 37 HZ3 LYS 37 -13.285 -5.683 8.337
265 H ALA 38 HN ALA 38 -14.389 2.347 8.514
266 HA ALA 38 HA ALA 38 -16.238 0.803 6.990
267 HB1 ALA 38 HB1 ALA 38 -17.425 2.345 8.175
268 HB2 ALA 38 HB2 ALA 38 -17.214 3.280 6.693
269 HB3 ALA 38 HB3 ALA 38 -16.151 3.563 8.073
270 H ALA 39 HN ALA 39 -13.482 2.542 6.230
271 HA ALA 39 HA ALA 39 -14.101 3.567 3.661
272 HB1 ALA 39 HB1 ALA 39 -12.136 4.300 4.997
273 HB2 ALA 39 HB2 ALA 39 -11.676 3.757 3.383
274 HB3 ALA 39 HB3 ALA 39 -11.402 2.703 4.783
275 H GLU 40 HN GLU 40 -13.402 2.669 1.593
276 HA GLU 40 HA GLU 40 -14.082 -0.044 1.259
277 HB2 GLU 40 HB2 GLU 40 -12.504 1.754 -0.600
278 HB3 GLU 40 HB1 GLU 40 -13.204 0.203 -1.045
279 HG2 GLU 40 HG2 GLU 40 -14.784 1.635 -1.847
280 HG3 GLU 40 HG1 GLU 40 -15.424 1.307 -0.240
281 H GLY 41 HN GLY 41 -11.227 1.522 2.160
282 HA2 GLY 41 HA2 GLY 41 -9.756 -0.300 3.283
283 HA3 GLY 41 HA1 GLY 41 -9.547 -0.811 1.612
284 H CYS 42 HN CYS 42 -9.711 2.493 2.992
285 HA CYS 42 HA CYS 42 -7.158 2.928 1.648
286 HB2 CYS 42 HB2 CYS 42 -9.411 4.533 1.672
287 HB3 CYS 42 HB1 CYS 42 -8.335 5.314 2.827
288 H ALA 43 HN ALA 43 -7.970 1.683 4.305
289 HA ALA 43 HA ALA 43 -6.734 3.169 6.364
290 HB1 ALA 43 HB1 ALA 43 -7.072 0.185 6.025
291 HB2 ALA 43 HB2 ALA 43 -8.229 1.276 6.812
292 HB3 ALA 43 HB3 ALA 43 -6.620 0.999 7.527
293 H SER 44 HN SER 44 -5.735 0.989 3.869
294 HA SER 44 HA SER 44 -3.131 0.381 4.556
295 HB2 SER 44 HB2 SER 44 -4.376 0.802 1.809
296 HB3 SER 44 HB1 SER 44 -2.833 -0.017 2.124
297 HG SER 44 HG SER 44 -3.967 -1.741 2.467
298 H CYS 45 HN CYS 45 -4.495 3.380 3.609
299 HA CYS 45 HA CYS 45 -1.971 4.616 2.807
300 HB2 CYS 45 HB2 CYS 45 -4.208 5.315 1.829
301 HB3 CYS 45 HB1 CYS 45 -4.643 5.924 3.430
302 H PHE 46 HN PHE 46 -4.377 4.743 5.311
303 HA PHE 46 HA PHE 46 -3.402 6.602 7.067
304 HB2 PHE 46 HB2 PHE 46 -5.537 5.851 7.542
305 HB3 PHE 46 HB1 PHE 46 -5.124 4.164 7.274
306 HD1 PHE 46 HD1 PHE 46 -4.455 6.935 9.726
307 HD2 PHE 46 HD2 PHE 46 -4.983 2.770 9.072
308 HE1 PHE 46 HE1 PHE 46 -4.321 6.577 12.048
309 HE2 PHE 46 HE2 PHE 46 -4.883 2.394 11.465
310 HZ PHE 46 HZ PHE 46 -4.539 4.275 12.984
311 H CYS 47 HN CYS 47 -3.056 3.090 7.616
312 HA CYS 47 HA CYS 47 -0.876 3.689 9.430
313 HB2 CYS 47 HB2 CYS 47 -2.783 2.156 9.962
314 HB3 CYS 47 HB1 CYS 47 -2.077 1.002 8.835
315 H GLU 48 HN GLU 48 -0.573 3.408 6.222
316 HA GLU 48 HA GLU 48 1.284 1.270 5.944
317 HB2 GLU 48 HB2 GLU 48 0.242 2.315 3.979
318 HB3 GLU 48 HB1 GLU 48 1.089 3.818 4.318
319 HG2 GLU 48 HG2 GLU 48 2.128 2.533 2.509
320 HG3 GLU 48 HG1 GLU 48 3.216 2.770 3.874
321 H ASP 49 HN ASP 49 1.601 4.640 6.829
322 HA ASP 49 HA ASP 49 4.476 4.579 6.952
323 HB2 ASP 49 HB2 ASP 49 2.955 6.606 6.486
324 HB3 ASP 49 HB1 ASP 49 2.683 6.643 8.225
325 H HIS 50 HN HIS 50 1.915 3.638 8.982
326 HA HIS 50 HA HIS 50 3.686 3.601 11.343
327 HB2 HIS 50 HB2 HIS 50 0.809 3.149 11.812
328 HB3 HIS 50 HB1 HIS 50 1.952 4.112 12.731
329 HD1 HIS 50 HD1 HIS 50 -0.953 5.009 12.112
330 HD2 HIS 50 HD2 HIS 50 2.390 6.149 9.929
331 HE1 HIS 50 HE1 HIS 50 -1.591 7.167 11.004
332 HE2 HIS 50 HE2 HIS 50 0.422 7.819 9.622
333 H CYS 51 HN CYS 51 3.604 1.620 9.240
334 HA CYS 51 HA CYS 51 2.019 -0.576 10.055
335 HB2 CYS 51 HB2 CYS 51 4.255 -0.258 8.107
336 HB3 CYS 51 HB1 CYS 51 3.687 -1.859 8.530
337 H HIS 52 HN HIS 52 2.579 -0.421 12.324
338 HA HIS 52 HA HIS 52 4.299 -2.561 13.091
339 HB2 HIS 52 HB2 HIS 52 5.872 -1.365 14.447
340 HB3 HIS 52 HB1 HIS 52 5.912 -0.606 12.860
341 HD1 HIS 52 HD1 HIS 52 3.798 1.480 12.947
342 HD2 HIS 52 HD2 HIS 52 6.121 0.586 16.277
343 HE1 HIS 52 HE1 HIS 52 3.701 3.528 14.407
344 HE2 HIS 52 HE2 HIS 52 5.224 3.016 16.355
345 H GLY 53 HN GLY 53 4.289 -2.628 15.632
346 HA2 GLY 53 HA2 GLY 53 3.060 -2.714 17.567
347 HA3 GLY 53 HA1 GLY 53 2.329 -1.202 17.061
348 H VAL 54 HN VAL 54 0.208 -1.207 16.508
349 HA VAL 54 HA VAL 54 -1.145 -3.763 16.600
350 HB VAL 54 HB VAL 54 -1.773 -1.583 17.894
351 HG11 VAL 54 HG11 VAL 54 -1.887 -0.016 16.146
352 HG12 VAL 54 HG12 VAL 54 -3.566 -0.344 16.584
353 HG13 VAL 54 HG13 VAL 54 -2.866 -1.104 15.143
354 HG21 VAL 54 HG21 VAL 54 -4.272 -2.207 17.544
355 HG22 VAL 54 HG22 VAL 54 -3.176 -3.385 18.261
356 HG23 VAL 54 HG23 VAL 54 -3.623 -3.515 16.558
357 H CYS 55 HN CYS 55 0.156 -1.847 14.210
358 HA CYS 55 HA CYS 55 -1.890 -1.750 12.223
359 HB2 CYS 55 HB2 CYS 55 0.609 -0.783 12.361
360 HB3 CYS 55 HB1 CYS 55 0.959 -2.241 11.438
361 H LYS 56 HN LYS 56 -0.070 -4.369 13.550
362 HA LYS 56 HA LYS 56 -0.479 -6.113 11.266
363 HB2 LYS 56 HB2 LYS 56 1.526 -6.366 12.731
364 HB3 LYS 56 HB1 LYS 56 0.463 -6.817 14.058
365 HG2 LYS 56 HG2 LYS 56 0.037 -8.884 13.210
366 HG3 LYS 56 HG1 LYS 56 0.268 -8.368 11.536
367 HD2 LYS 56 HD2 LYS 56 2.628 -8.283 13.326
368 HD3 LYS 56 HD1 LYS 56 2.036 -9.875 12.857
369 HE2 LYS 56 HE2 LYS 56 2.827 -7.645 10.984
370 HE3 LYS 56 HE1 LYS 56 3.768 -9.095 11.325
371 HZ1 LYS 56 HZ1 LYS 56 2.682 -10.087 9.682
372 HZ2 LYS 56 HZ2 LYS 56 1.661 -8.745 9.458
373 HZ3 LYS 56 HZ3 LYS 56 1.245 -9.950 10.567
374 H ASP 57 HN ASP 57 -1.923 -5.322 14.327
375 HA ASP 57 HA ASP 57 -3.896 -7.427 14.344
376 HB2 ASP 57 HB2 ASP 57 -3.026 -5.750 16.279
377 HB3 ASP 57 HB1 ASP 57 -4.387 -4.811 15.693
378 H LEU 58 HN LEU 58 -3.552 -4.118 13.386
379 HA LEU 58 HA LEU 58 -6.066 -3.359 12.582
380 HB2 LEU 58 HB2 LEU 58 -3.288 -2.612 12.321
381 HB3 LEU 58 HB1 LEU 58 -4.094 -2.344 10.830
382 HG LEU 58 HG LEU 58 -5.684 -0.796 11.978
383 HD11 LEU 58 HD11 LEU 58 -5.113 -0.032 14.216
384 HD12 LEU 58 HD12 LEU 58 -3.889 -1.314 14.347
385 HD13 LEU 58 HD13 LEU 58 -5.610 -1.729 14.203
386 HD21 LEU 58 HD21 LEU 58 -3.045 0.223 12.766
387 HD22 LEU 58 HD22 LEU 58 -4.294 0.933 11.738
388 HD23 LEU 58 HD23 LEU 58 -3.211 -0.299 11.085
389 H HIS 59 HN HIS 59 -3.409 -4.912 10.791
390 HA HIS 59 HA HIS 59 -3.310 -6.314 9.008
391 HB2 HIS 59 HB2 HIS 59 -5.535 -7.186 10.376
392 HB3 HIS 59 HB1 HIS 59 -6.182 -6.870 8.768
393 HD1 HIS 59 HD1 HIS 59 -3.068 -8.602 10.130
394 HD2 HIS 59 HD2 HIS 59 -6.021 -9.090 7.240
395 HE1 HIS 59 HE1 HIS 59 -2.529 -10.770 8.975
396 HE2 HIS 59 HE2 HIS 59 -4.253 -10.985 7.147
397 H LEU 60 HN LEU 60 -2.849 -4.317 7.981
398 HA LEU 60 HA LEU 60 -4.747 -3.787 5.856
399 HB2 LEU 60 HB2 LEU 60 -5.545 -2.042 6.967
400 HB3 LEU 60 HB1 LEU 60 -4.417 -2.324 8.267
401 HG LEU 60 HG LEU 60 -4.154 -0.381 5.985
402 HD11 LEU 60 HD11 LEU 60 -3.699 0.369 8.772
403 HD12 LEU 60 HD12 LEU 60 -5.332 -0.211 8.448
404 HD13 LEU 60 HD13 LEU 60 -4.681 1.151 7.535
405 HD21 LEU 60 HD21 LEU 60 -1.963 -0.832 6.123
406 HD22 LEU 60 HD22 LEU 60 -2.111 -1.589 7.726
407 HD23 LEU 60 HD23 LEU 60 -2.097 0.173 7.566
408 H CYS 61 HN CYS 61 -1.632 -4.328 6.885
409 HA CYS 61 HA CYS 61 -0.548 -3.830 4.260
410 HB2 CYS 61 HB2 CYS 61 1.393 -2.565 4.974
411 HB3 CYS 61 HB1 CYS 61 -0.047 -1.665 5.402
Start of MODEL 12
1 H1 ALA 1 HT1 ALA 1 -3.384 -3.446 -8.742
2 H2 ALA 1 HT2 ALA 1 -1.916 -3.385 -7.855
3 H3 ALA 1 HT3 ALA 1 -1.925 -2.995 -9.530
4 HA ALA 1 HA ALA 1 -2.390 -0.945 -9.134
5 HB1 ALA 1 HB1 ALA 1 -4.402 -1.102 -7.073
6 HB2 ALA 1 HB2 ALA 1 -4.753 -2.201 -8.407
7 HB3 ALA 1 HB3 ALA 1 -4.522 -0.482 -8.720
8 H MET 2 HN MET 2 -1.769 0.713 -7.752
9 HA MET 2 HA MET 2 -0.130 -0.118 -5.550
10 HB2 MET 2 HB2 MET 2 0.449 2.299 -5.427
11 HB3 MET 2 HB1 MET 2 0.736 1.571 -7.001
12 HG2 MET 2 HG2 MET 2 -1.413 2.551 -7.779
13 HG3 MET 2 HG1 MET 2 -1.549 3.364 -6.217
14 HE1 MET 2 HE1 MET 2 1.270 3.832 -5.490
15 HE2 MET 2 HE2 MET 2 0.510 5.423 -5.468
16 HE3 MET 2 HE3 MET 2 2.026 5.184 -6.334
17 H GLY 3 HN GLY 3 -2.337 -0.920 -4.514
18 HA2 GLY 3 HA2 GLY 3 -3.435 -0.634 -2.432
19 HA3 GLY 3 HA1 GLY 3 -2.904 1.028 -2.435
20 H LYS 4 HN LYS 4 -5.346 0.495 -1.620
21 HA LYS 4 HA LYS 4 -7.255 0.835 -3.752
22 HB2 LYS 4 HB2 LYS 4 -7.343 -0.163 -1.190
23 HB3 LYS 4 HB1 LYS 4 -7.995 1.451 -0.965
24 HG2 LYS 4 HG2 LYS 4 -9.077 -0.801 -2.647
25 HG3 LYS 4 HG1 LYS 4 -9.859 0.040 -1.300
26 HD2 LYS 4 HD2 LYS 4 -9.979 2.076 -2.672
27 HD3 LYS 4 HD1 LYS 4 -9.234 1.203 -4.010
28 HE2 LYS 4 HE2 LYS 4 -11.135 -0.432 -3.888
29 HE3 LYS 4 HE1 LYS 4 -11.919 0.662 -2.751
30 HZ1 LYS 4 HZ1 LYS 4 -11.725 2.395 -4.538
31 HZ2 LYS 4 HZ2 LYS 4 -12.792 1.129 -4.879
32 HZ3 LYS 4 HZ3 LYS 4 -11.251 1.162 -5.599
33 H CYS 5 HN CYS 5 -4.955 2.533 -2.337
34 HA CYS 5 HA CYS 5 -6.273 5.147 -2.539
35 HB2 CYS 5 HB2 CYS 5 -3.897 4.364 -0.845
36 HB3 CYS 5 HB1 CYS 5 -4.816 5.875 -0.750
37 H SER 6 HN SER 6 -5.630 5.119 -4.841
38 HA SER 6 HA SER 6 -2.996 4.759 -5.742
39 HB2 SER 6 HB2 SER 6 -5.063 6.557 -7.027
40 HB3 SER 6 HB1 SER 6 -3.737 5.705 -7.819
41 HG SER 6 HG SER 6 -5.168 4.197 -8.121
42 H VAL 7 HN VAL 7 -2.189 6.944 -7.191
43 HA VAL 7 HA VAL 7 -0.765 8.457 -5.391
44 HB VAL 7 HB VAL 7 -0.474 10.077 -7.329
45 HG11 VAL 7 HG11 VAL 7 1.189 8.441 -7.018
46 HG12 VAL 7 HG12 VAL 7 0.729 8.322 -8.717
47 HG13 VAL 7 HG13 VAL 7 0.119 7.144 -7.556
48 HG21 VAL 7 HG21 VAL 7 -1.237 8.552 -9.476
49 HG22 VAL 7 HG22 VAL 7 -2.064 9.998 -8.908
50 HG23 VAL 7 HG23 VAL 7 -2.616 8.402 -8.388
51 H LEU 8 HN LEU 8 -3.760 9.462 -7.079
52 HA LEU 8 HA LEU 8 -3.872 11.951 -5.638
53 HB2 LEU 8 HB2 LEU 8 -4.748 11.644 -7.951
54 HB3 LEU 8 HB1 LEU 8 -5.988 10.583 -7.309
55 HG LEU 8 HG LEU 8 -6.607 12.657 -5.833
56 HD11 LEU 8 HD11 LEU 8 -4.786 13.788 -7.876
57 HD12 LEU 8 HD12 LEU 8 -5.094 14.306 -6.221
58 HD13 LEU 8 HD13 LEU 8 -6.252 14.690 -7.497
59 HD21 LEU 8 HD21 LEU 8 -7.251 12.739 -8.766
60 HD22 LEU 8 HD22 LEU 8 -8.254 13.266 -7.408
61 HD23 LEU 8 HD23 LEU 8 -7.929 11.546 -7.657
62 H LYS 9 HN LYS 9 -5.330 8.770 -5.369
63 HA LYS 9 HA LYS 9 -7.274 9.511 -3.432
64 HB2 LYS 9 HB2 LYS 9 -6.141 6.788 -4.097
65 HB3 LYS 9 HB1 LYS 9 -7.612 7.108 -3.199
66 HG2 LYS 9 HG2 LYS 9 -8.698 8.001 -5.122
67 HG3 LYS 9 HG1 LYS 9 -7.196 7.980 -6.048
68 HD2 LYS 9 HD2 LYS 9 -8.395 6.097 -6.802
69 HD3 LYS 9 HD1 LYS 9 -7.194 5.449 -5.683
70 HE2 LYS 9 HE2 LYS 9 -9.265 4.357 -5.208
71 HE3 LYS 9 HE1 LYS 9 -8.948 5.487 -3.894
72 HZ1 LYS 9 HZ1 LYS 9 -11.295 5.399 -4.861
73 HZ2 LYS 9 HZ2 LYS 9 -10.661 6.254 -6.180
74 HZ3 LYS 9 HZ3 LYS 9 -10.600 6.935 -4.623
75 H LYS 10 HN LYS 10 -3.910 8.981 -3.289
76 HA LYS 10 HA LYS 10 -3.882 8.125 -0.518
77 HB2 LYS 10 HB2 LYS 10 -2.153 7.354 -2.185
78 HB3 LYS 10 HB1 LYS 10 -1.535 9.001 -2.225
79 HG2 LYS 10 HG2 LYS 10 -1.036 8.875 0.168
80 HG3 LYS 10 HG1 LYS 10 -1.646 7.223 0.207
81 HD2 LYS 10 HD2 LYS 10 0.556 7.963 -1.684
82 HD3 LYS 10 HD1 LYS 10 0.917 7.672 0.017
83 HE2 LYS 10 HE2 LYS 10 1.269 5.608 -1.051
84 HE3 LYS 10 HE1 LYS 10 -0.295 5.455 -0.255
85 HZ1 LYS 10 HZ1 LYS 10 -0.116 4.603 -2.609
86 HZ2 LYS 10 HZ2 LYS 10 -0.045 6.229 -3.107
87 HZ3 LYS 10 HZ3 LYS 10 -1.417 5.644 -2.294
88 H VAL 11 HN VAL 11 -4.349 10.965 -2.114
89 HA VAL 11 HA VAL 11 -3.036 12.641 -0.117
90 HB VAL 11 HB VAL 11 -3.416 12.957 -2.818
91 HG11 VAL 11 HG11 VAL 11 -5.663 13.527 -2.896
92 HG12 VAL 11 HG12 VAL 11 -4.842 15.089 -2.917
93 HG13 VAL 11 HG13 VAL 11 -5.568 14.494 -1.424
94 HG21 VAL 11 HG21 VAL 11 -3.069 15.323 -1.016
95 HG22 VAL 11 HG22 VAL 11 -2.318 14.992 -2.582
96 HG23 VAL 11 HG23 VAL 11 -1.835 14.070 -1.157
97 H ALA 12 HN ALA 12 -6.097 11.440 -1.109
98 HA ALA 12 HA ALA 12 -7.606 13.234 0.608
99 HB1 ALA 12 HB1 ALA 12 -8.825 10.949 -0.875
100 HB2 ALA 12 HB2 ALA 12 -8.282 12.387 -1.741
101 HB3 ALA 12 HB3 ALA 12 -9.509 12.527 -0.480
102 H CYS 13 HN CYS 13 -6.197 10.090 0.905
103 HA CYS 13 HA CYS 13 -8.118 9.001 2.705
104 HB2 CYS 13 HB2 CYS 13 -5.946 7.680 3.498
105 HB3 CYS 13 HB1 CYS 13 -6.821 7.274 2.008
106 H ALA 14 HN ALA 14 -5.541 11.254 3.066
107 HA ALA 14 HA ALA 14 -5.118 10.918 5.837
108 HB1 ALA 14 HB1 ALA 14 -4.850 13.558 4.421
109 HB2 ALA 14 HB2 ALA 14 -3.710 12.243 4.126
110 HB3 ALA 14 HB3 ALA 14 -3.886 12.913 5.752
111 H ALA 15 HN ALA 15 -7.575 12.395 3.942
112 HA ALA 15 HA ALA 15 -8.761 13.789 6.198
113 HB1 ALA 15 HB1 ALA 15 -10.562 14.132 4.235
114 HB2 ALA 15 HB2 ALA 15 -9.119 13.844 3.260
115 HB3 ALA 15 HB3 ALA 15 -9.145 15.165 4.430
116 H ALA 16 HN ALA 16 -9.135 10.985 4.173
117 HA ALA 16 HA ALA 16 -11.730 10.191 4.963
118 HB1 ALA 16 HB1 ALA 16 -9.820 8.061 4.292
119 HB2 ALA 16 HB2 ALA 16 -10.013 9.323 3.075
120 HB3 ALA 16 HB3 ALA 16 -11.416 8.407 3.627
121 H ILE 17 HN ILE 17 -8.516 9.049 6.059
122 HA ILE 17 HA ILE 17 -9.771 7.608 8.165
123 HB ILE 17 HB ILE 17 -7.743 6.674 7.279
124 HG12 ILE 17 HG12 ILE 17 -8.398 6.657 9.798
125 HG13 ILE 17 HG11 ILE 17 -6.879 5.967 9.246
126 HG21 ILE 17 HG21 ILE 17 -5.581 7.877 8.332
127 HG22 ILE 17 HG22 ILE 17 -6.529 9.285 7.780
128 HG23 ILE 17 HG23 ILE 17 -6.082 8.015 6.609
129 HD11 ILE 17 HD11 ILE 17 -7.373 8.379 10.852
130 HD12 ILE 17 HD12 ILE 17 -6.028 8.429 9.707
131 HD13 ILE 17 HD13 ILE 17 -6.076 7.184 10.959
132 H ALA 18 HN ALA 18 -8.543 10.780 7.799
133 HA ALA 18 HA ALA 18 -7.924 11.623 10.335
134 HB1 ALA 18 HB1 ALA 18 -9.714 13.344 8.673
135 HB2 ALA 18 HB2 ALA 18 -8.077 12.971 8.125
136 HB3 ALA 18 HB3 ALA 18 -8.327 13.795 9.666
137 H GLY 19 HN GLY 19 -11.199 11.224 8.985
138 HA2 GLY 19 HA2 GLY 19 -12.586 12.264 11.220
139 HA3 GLY 19 HA1 GLY 19 -13.262 11.177 10.016
140 H ALA 20 HN ALA 20 -10.953 9.283 10.768
141 HA ALA 20 HA ALA 20 -12.406 7.920 12.864
142 HB1 ALA 20 HB1 ALA 20 -10.223 7.130 10.987
143 HB2 ALA 20 HB2 ALA 20 -11.844 6.461 11.149
144 HB3 ALA 20 HB3 ALA 20 -10.632 6.139 12.385
145 H VAL 21 HN VAL 21 -9.197 9.333 12.322
146 HA VAL 21 HA VAL 21 -8.224 8.524 14.882
147 HB VAL 21 HB VAL 21 -6.518 10.250 14.681
148 HG11 VAL 21 HG11 VAL 21 -6.973 8.311 12.458
149 HG12 VAL 21 HG12 VAL 21 -5.782 8.264 13.762
150 HG13 VAL 21 HG13 VAL 21 -5.568 9.385 12.410
151 HG21 VAL 21 HG21 VAL 21 -6.420 11.325 12.294
152 HG22 VAL 21 HG22 VAL 21 -7.285 12.080 13.635
153 HG23 VAL 21 HG23 VAL 21 -8.175 11.165 12.415
154 H ALA 22 HN ALA 22 -9.883 11.251 13.585
155 HA ALA 22 HA ALA 22 -9.886 13.019 15.752
156 HB1 ALA 22 HB1 ALA 22 -11.565 14.170 14.621
157 HB2 ALA 22 HB2 ALA 22 -12.287 12.689 13.985
158 HB3 ALA 22 HB3 ALA 22 -10.769 13.289 13.313
159 H ALA 23 HN ALA 23 -11.604 10.053 15.151
160 HA ALA 23 HA ALA 23 -13.677 10.384 17.060
161 HB1 ALA 23 HB1 ALA 23 -12.992 7.627 16.830
162 HB2 ALA 23 HB2 ALA 23 -12.866 8.366 15.229
163 HB3 ALA 23 HB3 ALA 23 -14.374 8.482 16.143
164 H CYS 24 HN CYS 24 -10.304 9.542 17.244
165 HA CYS 24 HA CYS 24 -10.641 8.918 20.099
166 HB2 CYS 24 HB2 CYS 24 -9.151 7.635 18.076
167 HB3 CYS 24 HB1 CYS 24 -7.983 8.354 19.180
168 H GLY 25 HN GLY 25 -9.057 11.129 17.848
169 HA2 GLY 25 HA2 GLY 25 -8.763 13.373 18.961
170 HA3 GLY 25 HA1 GLY 25 -7.850 12.485 20.166
171 H GLY 26 HN GLY 26 -6.855 10.777 17.824
172 HA2 GLY 26 HA2 GLY 26 -5.312 12.403 16.113
173 HA3 GLY 26 HA1 GLY 26 -4.342 11.947 17.511
174 H ILE 27 HN ILE 27 -3.064 10.851 15.734
175 HA ILE 27 HA ILE 27 -4.129 8.593 14.371
176 HB ILE 27 HB ILE 27 -1.267 9.423 14.927
177 HG12 ILE 27 HG12 ILE 27 -2.742 10.759 13.363
178 HG13 ILE 27 HG11 ILE 27 -1.284 10.091 12.622
179 HG21 ILE 27 HG21 ILE 27 -1.384 6.951 14.665
180 HG22 ILE 27 HG22 ILE 27 -0.540 7.742 13.335
181 HG23 ILE 27 HG23 ILE 27 -2.197 7.183 13.115
182 HD11 ILE 27 HD11 ILE 27 -3.625 9.889 11.439
183 HD12 ILE 27 HD12 ILE 27 -3.784 8.484 12.507
184 HD13 ILE 27 HD13 ILE 27 -2.441 8.581 11.365
185 H ASP 28 HN ASP 28 -5.248 7.811 16.359
186 HA ASP 28 HA ASP 28 -3.620 6.043 18.032
187 HB2 ASP 28 HB2 ASP 28 -6.514 6.948 18.103
188 HB3 ASP 28 HB1 ASP 28 -5.960 5.567 19.032
189 H LEU 29 HN LEU 29 -3.058 5.038 16.054
190 HA LEU 29 HA LEU 29 -4.542 4.172 14.059
191 HB2 LEU 29 HB2 LEU 29 -2.272 4.206 13.905
192 HB3 LEU 29 HB1 LEU 29 -2.017 3.189 15.320
193 HG LEU 29 HG LEU 29 -3.061 2.165 12.673
194 HD11 LEU 29 HD11 LEU 29 -0.971 2.108 11.878
195 HD12 LEU 29 HD12 LEU 29 -0.327 1.506 13.405
196 HD13 LEU 29 HD13 LEU 29 -0.551 3.241 13.166
197 HD21 LEU 29 HD21 LEU 29 -1.533 0.321 14.133
198 HD22 LEU 29 HD22 LEU 29 -3.259 0.256 13.769
199 HD23 LEU 29 HD23 LEU 29 -2.693 1.031 15.253
200 HA PRO 30 HA PRO 30 -5.844 -0.022 16.178
201 HB2 PRO 30 HB2 PRO 30 -6.305 0.146 18.861
202 HB3 PRO 30 HB1 PRO 30 -4.796 -0.469 18.179
203 HG2 PRO 30 HG2 PRO 30 -5.410 2.238 19.297
204 HG3 PRO 30 HG1 PRO 30 -3.951 1.251 19.491
205 HD2 PRO 30 HD2 PRO 30 -4.079 3.335 17.769
206 HD3 PRO 30 HD1 PRO 30 -3.087 1.899 17.457
207 H CYS 31 HN CYS 31 -6.683 3.102 17.414
208 HA CYS 31 HA CYS 31 -9.433 2.547 17.975
209 HB2 CYS 31 HB2 CYS 31 -7.870 4.210 19.101
210 HB3 CYS 31 HB1 CYS 31 -8.109 5.228 17.700
211 H VAL 32 HN VAL 32 -7.705 4.471 15.517
212 HA VAL 32 HA VAL 32 -10.042 5.422 14.257
213 HB VAL 32 HB VAL 32 -8.668 6.628 12.958
214 HG11 VAL 32 HG11 VAL 32 -6.277 6.631 13.610
215 HG12 VAL 32 HG12 VAL 32 -6.643 5.271 14.675
216 HG13 VAL 32 HG13 VAL 32 -7.444 6.835 14.929
217 HG21 VAL 32 HG21 VAL 32 -7.183 4.148 12.182
218 HG22 VAL 32 HG22 VAL 32 -6.914 5.775 11.527
219 HG23 VAL 32 HG23 VAL 32 -8.467 4.962 11.261
220 H LEU 33 HN LEU 33 -8.375 2.345 13.873
221 HA LEU 33 HA LEU 33 -9.593 1.753 11.374
222 HB2 LEU 33 HB2 LEU 33 -7.556 0.663 12.800
223 HB3 LEU 33 HB1 LEU 33 -8.832 -0.522 13.044
224 HG LEU 33 HG LEU 33 -9.094 -0.251 10.420
225 HD11 LEU 33 HD11 LEU 33 -6.120 0.006 10.575
226 HD12 LEU 33 HD12 LEU 33 -7.112 1.478 10.610
227 HD13 LEU 33 HD13 LEU 33 -7.235 0.372 9.241
228 HD21 LEU 33 HD21 LEU 33 -6.823 -1.941 10.890
229 HD22 LEU 33 HD22 LEU 33 -8.494 -2.374 10.515
230 HD23 LEU 33 HD23 LEU 33 -8.007 -2.088 12.189
231 H ALA 34 HN ALA 34 -11.250 2.455 13.867
232 HA ALA 34 HA ALA 34 -13.087 0.160 13.781
233 HB1 ALA 34 HB1 ALA 34 -14.136 1.822 15.666
234 HB2 ALA 34 HB2 ALA 34 -12.409 2.156 15.840
235 HB3 ALA 34 HB3 ALA 34 -13.011 0.505 16.015
236 H ALA 35 HN ALA 35 -12.734 3.608 13.348
237 HA ALA 35 HA ALA 35 -15.431 3.874 12.256
238 HB1 ALA 35 HB1 ALA 35 -13.298 5.917 12.852
239 HB2 ALA 35 HB2 ALA 35 -14.742 5.588 13.813
240 HB3 ALA 35 HB3 ALA 35 -14.894 6.289 12.201
241 H LEU 36 HN LEU 36 -12.025 4.160 11.366
242 HA LEU 36 HA LEU 36 -12.528 4.991 8.690
243 HB2 LEU 36 HB2 LEU 36 -10.370 5.498 9.578
244 HB3 LEU 36 HB1 LEU 36 -10.089 3.817 10.024
245 HG LEU 36 HG LEU 36 -10.305 3.302 7.525
246 HD11 LEU 36 HD11 LEU 36 -9.361 5.590 6.423
247 HD12 LEU 36 HD12 LEU 36 -10.578 6.176 7.564
248 HD13 LEU 36 HD13 LEU 36 -11.016 4.980 6.323
249 HD21 LEU 36 HD21 LEU 36 -8.081 3.517 7.113
250 HD22 LEU 36 HD22 LEU 36 -8.139 3.483 8.891
251 HD23 LEU 36 HD23 LEU 36 -7.931 5.018 8.038
252 H LYS 37 HN LYS 37 -12.457 1.924 10.321
253 HA LYS 37 HA LYS 37 -11.732 0.453 8.043
254 HB2 LYS 37 HB2 LYS 37 -12.010 -0.290 10.592
255 HB3 LYS 37 HB1 LYS 37 -13.585 -0.822 10.016
256 HG2 LYS 37 HG2 LYS 37 -12.574 -2.278 8.400
257 HG3 LYS 37 HG1 LYS 37 -10.968 -1.651 8.771
258 HD2 LYS 37 HD2 LYS 37 -11.106 -3.709 9.907
259 HD3 LYS 37 HD1 LYS 37 -11.363 -2.477 11.146
260 HE2 LYS 37 HE2 LYS 37 -12.938 -4.331 11.388
261 HE3 LYS 37 HE1 LYS 37 -13.769 -2.822 11.015
262 HZ1 LYS 37 HZ1 LYS 37 -14.782 -3.995 9.431
263 HZ2 LYS 37 HZ2 LYS 37 -13.674 -5.275 9.513
264 HZ3 LYS 37 HZ3 LYS 37 -13.326 -3.912 8.560
265 H ALA 38 HN ALA 38 -14.500 2.219 8.658
266 HA ALA 38 HA ALA 38 -16.395 0.626 7.179
267 HB1 ALA 38 HB1 ALA 38 -17.730 1.972 8.373
268 HB2 ALA 38 HB2 ALA 38 -17.361 3.217 7.181
269 HB3 ALA 38 HB3 ALA 38 -16.433 3.126 8.676
270 H ALA 39 HN ALA 39 -13.753 2.526 6.450
271 HA ALA 39 HA ALA 39 -14.462 3.883 4.090
272 HB1 ALA 39 HB1 ALA 39 -11.739 2.671 4.591
273 HB2 ALA 39 HB2 ALA 39 -12.303 4.085 5.474
274 HB3 ALA 39 HB3 ALA 39 -12.136 4.156 3.718
275 H GLU 40 HN GLU 40 -13.641 3.263 1.867
276 HA GLU 40 HA GLU 40 -14.523 0.578 1.291
277 HB2 GLU 40 HB2 GLU 40 -13.927 1.279 -1.112
278 HB3 GLU 40 HB1 GLU 40 -15.273 2.074 -0.315
279 HG2 GLU 40 HG2 GLU 40 -13.691 3.941 0.258
280 HG3 GLU 40 HG1 GLU 40 -12.522 3.166 -0.815
281 H GLY 41 HN GLY 41 -11.954 1.247 2.759
282 HA2 GLY 41 HA2 GLY 41 -10.243 -0.404 3.001
283 HA3 GLY 41 HA1 GLY 41 -10.310 -0.670 1.268
284 H CYS 42 HN CYS 42 -10.015 2.486 2.980
285 HA CYS 42 HA CYS 42 -7.464 2.719 1.540
286 HB2 CYS 42 HB2 CYS 42 -9.621 4.538 1.643
287 HB3 CYS 42 HB1 CYS 42 -8.322 5.238 2.588
288 H ALA 43 HN ALA 43 -8.270 1.530 4.154
289 HA ALA 43 HA ALA 43 -7.083 2.994 6.263
290 HB1 ALA 43 HB1 ALA 43 -8.610 0.817 6.170
291 HB2 ALA 43 HB2 ALA 43 -7.527 1.156 7.531
292 HB3 ALA 43 HB3 ALA 43 -7.021 0.034 6.263
293 H SER 44 HN SER 44 -5.986 0.964 3.733
294 HA SER 44 HA SER 44 -3.446 0.182 4.507
295 HB2 SER 44 HB2 SER 44 -3.137 0.585 1.873
296 HB3 SER 44 HB1 SER 44 -4.097 -0.761 2.495
297 HG SER 44 HG SER 44 -5.674 0.107 1.404
298 H CYS 45 HN CYS 45 -4.719 3.161 3.260
299 HA CYS 45 HA CYS 45 -2.241 4.522 2.807
300 HB2 CYS 45 HB2 CYS 45 -4.426 5.239 1.801
301 HB3 CYS 45 HB1 CYS 45 -4.934 5.757 3.414
302 H PHE 46 HN PHE 46 -4.637 4.551 5.373
303 HA PHE 46 HA PHE 46 -3.504 6.432 7.066
304 HB2 PHE 46 HB2 PHE 46 -5.614 5.834 7.737
305 HB3 PHE 46 HB1 PHE 46 -5.398 4.151 7.290
306 HD1 PHE 46 HD1 PHE 46 -4.565 6.630 10.022
307 HD2 PHE 46 HD2 PHE 46 -5.018 2.560 8.853
308 HE1 PHE 46 HE1 PHE 46 -4.400 5.991 12.250
309 HE2 PHE 46 HE2 PHE 46 -4.868 1.905 11.186
310 HZ PHE 46 HZ PHE 46 -4.580 3.597 12.919
311 H CYS 47 HN CYS 47 -3.259 2.889 7.323
312 HA CYS 47 HA CYS 47 -1.003 3.038 9.087
313 HB2 CYS 47 HB2 CYS 47 -2.850 1.086 8.166
314 HB3 CYS 47 HB1 CYS 47 -1.219 0.475 7.916
315 H GLU 48 HN GLU 48 -0.858 3.986 6.056
316 HA GLU 48 HA GLU 48 1.248 2.270 5.047
317 HB2 GLU 48 HB2 GLU 48 -0.418 3.501 3.580
318 HB3 GLU 48 HB1 GLU 48 0.404 4.994 4.008
319 HG2 GLU 48 HG2 GLU 48 1.333 4.466 1.968
320 HG3 GLU 48 HG1 GLU 48 2.516 3.806 3.100
321 H ASP 49 HN ASP 49 0.898 5.477 6.436
322 HA ASP 49 HA ASP 49 3.689 6.127 6.305
323 HB2 ASP 49 HB2 ASP 49 2.100 7.930 6.227
324 HB3 ASP 49 HB1 ASP 49 1.338 7.397 7.721
325 H HIS 50 HN HIS 50 1.544 4.649 8.612
326 HA HIS 50 HA HIS 50 3.844 4.237 10.380
327 HB2 HIS 50 HB2 HIS 50 2.125 4.427 12.305
328 HB3 HIS 50 HB1 HIS 50 2.742 5.901 11.569
329 HD1 HIS 50 HD1 HIS 50 -0.303 3.639 11.295
330 HD2 HIS 50 HD2 HIS 50 0.808 7.599 10.729
331 HE1 HIS 50 HE1 HIS 50 -2.426 4.866 10.779
332 HE2 HIS 50 HE2 HIS 50 -1.680 7.192 10.158
333 H CYS 51 HN CYS 51 3.681 2.248 8.984
334 HA CYS 51 HA CYS 51 1.670 0.307 9.746
335 HB2 CYS 51 HB2 CYS 51 2.474 0.270 7.444
336 HB3 CYS 51 HB1 CYS 51 4.133 0.067 7.995
337 H HIS 52 HN HIS 52 2.206 0.450 12.040
338 HA HIS 52 HA HIS 52 3.982 -1.653 12.847
339 HB2 HIS 52 HB2 HIS 52 5.463 -0.344 14.250
340 HB3 HIS 52 HB1 HIS 52 5.558 0.285 12.608
341 HD1 HIS 52 HD1 HIS 52 3.873 2.465 12.231
342 HD2 HIS 52 HD2 HIS 52 5.088 1.597 16.109
343 HE1 HIS 52 HE1 HIS 52 3.468 4.565 13.551
344 HE2 HIS 52 HE2 HIS 52 3.975 3.934 15.936
345 H GLY 53 HN GLY 53 4.222 -1.081 15.509
346 HA2 GLY 53 HA2 GLY 53 3.098 -1.157 17.494
347 HA3 GLY 53 HA1 GLY 53 2.011 0.027 16.793
348 H VAL 54 HN VAL 54 -0.038 -0.540 16.490
349 HA VAL 54 HA VAL 54 -0.720 -3.338 16.924
350 HB VAL 54 HB VAL 54 -1.637 -1.320 18.284
351 HG11 VAL 54 HG11 VAL 54 -2.376 0.174 16.672
352 HG12 VAL 54 HG12 VAL 54 -3.873 -0.623 17.178
353 HG13 VAL 54 HG13 VAL 54 -3.079 -1.124 15.672
354 HG21 VAL 54 HG21 VAL 54 -3.277 -3.598 17.221
355 HG22 VAL 54 HG22 VAL 54 -3.923 -2.462 18.408
356 HG23 VAL 54 HG23 VAL 54 -2.499 -3.432 18.797
357 H CYS 55 HN CYS 55 -0.014 -1.637 14.307
358 HA CYS 55 HA CYS 55 -2.322 -1.844 12.588
359 HB2 CYS 55 HB2 CYS 55 -0.132 -0.502 12.215
360 HB3 CYS 55 HB1 CYS 55 0.566 -2.026 11.673
361 H LYS 56 HN LYS 56 0.010 -3.931 13.875
362 HA LYS 56 HA LYS 56 -0.171 -6.096 12.015
363 HB2 LYS 56 HB2 LYS 56 1.438 -5.332 14.198
364 HB3 LYS 56 HB1 LYS 56 0.679 -6.833 14.674
365 HG2 LYS 56 HG2 LYS 56 2.295 -6.376 12.171
366 HG3 LYS 56 HG1 LYS 56 2.851 -7.214 13.622
367 HD2 LYS 56 HD2 LYS 56 1.223 -8.966 13.283
368 HD3 LYS 56 HD1 LYS 56 0.507 -8.089 11.932
369 HE2 LYS 56 HE2 LYS 56 1.967 -9.927 11.191
370 HE3 LYS 56 HE1 LYS 56 2.519 -8.350 10.626
371 HZ1 LYS 56 HZ1 LYS 56 3.729 -8.933 13.106
372 HZ2 LYS 56 HZ2 LYS 56 4.464 -8.690 11.597
373 HZ3 LYS 56 HZ3 LYS 56 3.961 -10.248 12.063
374 H ASP 57 HN ASP 57 -1.606 -5.209 15.107
375 HA ASP 57 HA ASP 57 -3.214 -7.599 15.341
376 HB2 ASP 57 HB2 ASP 57 -2.404 -5.549 17.081
377 HB3 ASP 57 HB1 ASP 57 -4.138 -5.319 16.893
378 H LEU 58 HN LEU 58 -3.361 -4.463 13.998
379 HA LEU 58 HA LEU 58 -6.084 -3.973 13.693
380 HB2 LEU 58 HB2 LEU 58 -3.547 -2.945 12.965
381 HB3 LEU 58 HB1 LEU 58 -4.460 -3.040 11.516
382 HG LEU 58 HG LEU 58 -6.214 -1.581 12.592
383 HD11 LEU 58 HD11 LEU 58 -5.729 -2.112 14.902
384 HD12 LEU 58 HD12 LEU 58 -5.523 -0.387 14.612
385 HD13 LEU 58 HD13 LEU 58 -4.105 -1.436 14.733
386 HD21 LEU 58 HD21 LEU 58 -4.759 -0.516 11.122
387 HD22 LEU 58 HD22 LEU 58 -3.396 -0.660 12.226
388 HD23 LEU 58 HD23 LEU 58 -4.718 0.447 12.598
389 H HIS 59 HN HIS 59 -3.677 -5.320 11.403
390 HA HIS 59 HA HIS 59 -3.798 -7.183 10.063
391 HB2 HIS 59 HB2 HIS 59 -6.605 -7.265 11.042
392 HB3 HIS 59 HB1 HIS 59 -6.263 -8.039 9.496
393 HD1 HIS 59 HD1 HIS 59 -4.239 -9.859 9.594
394 HD2 HIS 59 HD2 HIS 59 -6.011 -8.811 13.210
395 HE1 HIS 59 HE1 HIS 59 -3.511 -11.624 11.244
396 HE2 HIS 59 HE2 HIS 59 -4.462 -10.873 13.459
397 H LEU 60 HN LEU 60 -3.228 -5.118 9.145
398 HA LEU 60 HA LEU 60 -4.675 -4.759 6.665
399 HB2 LEU 60 HB2 LEU 60 -5.695 -3.194 8.041
400 HB3 LEU 60 HB1 LEU 60 -4.244 -2.900 8.956
401 HG LEU 60 HG LEU 60 -4.851 -1.776 6.223
402 HD11 LEU 60 HD11 LEU 60 -4.641 -0.527 8.953
403 HD12 LEU 60 HD12 LEU 60 -6.172 -0.985 8.203
404 HD13 LEU 60 HD13 LEU 60 -5.163 0.259 7.457
405 HD21 LEU 60 HD21 LEU 60 -2.491 -1.918 7.967
406 HD22 LEU 60 HD22 LEU 60 -2.897 -0.310 7.308
407 HD23 LEU 60 HD23 LEU 60 -2.603 -1.662 6.210
408 H CYS 61 HN CYS 61 -1.847 -4.084 8.704
409 HA CYS 61 HA CYS 61 -0.031 -4.656 6.548
410 HB2 CYS 61 HB2 CYS 61 -0.489 -2.264 6.129
411 HB3 CYS 61 HB1 CYS 61 -0.026 -1.877 7.779
Start of MODEL 13
1 H1 ALA 1 HT1 ALA 1 1.425 -2.652 -0.735
2 H2 ALA 1 HT2 ALA 1 3.116 -2.912 -0.906
3 H3 ALA 1 HT3 ALA 1 2.192 -2.370 -2.250
4 HA ALA 1 HA ALA 1 2.643 -0.894 0.254
5 HB1 ALA 1 HB1 ALA 1 4.687 -1.005 -0.987
6 HB2 ALA 1 HB2 ALA 1 3.993 0.596 -1.235
7 HB3 ALA 1 HB3 ALA 1 3.852 -0.633 -2.495
8 H MET 2 HN MET 2 2.333 1.533 -0.443
9 HA MET 2 HA MET 2 0.853 3.190 -0.832
10 HB2 MET 2 HB2 MET 2 0.060 1.538 -3.237
11 HB3 MET 2 HB1 MET 2 -0.325 3.233 -2.981
12 HG2 MET 2 HG2 MET 2 2.231 3.553 -2.842
13 HG3 MET 2 HG1 MET 2 2.307 1.969 -3.613
14 HE1 MET 2 HE1 MET 2 0.421 2.554 -6.955
15 HE2 MET 2 HE2 MET 2 -0.655 2.579 -5.557
16 HE3 MET 2 HE3 MET 2 0.682 1.431 -5.621
17 H GLY 3 HN GLY 3 -1.464 1.196 -2.451
18 HA2 GLY 3 HA2 GLY 3 -3.038 -0.053 -0.776
19 HA3 GLY 3 HA1 GLY 3 -3.247 1.570 -0.161
20 H LYS 4 HN LYS 4 -5.502 0.665 -0.781
21 HA LYS 4 HA LYS 4 -6.324 0.637 -3.476
22 HB2 LYS 4 HB2 LYS 4 -7.631 -0.239 -1.539
23 HB3 LYS 4 HB1 LYS 4 -7.905 1.419 -1.019
24 HG2 LYS 4 HG2 LYS 4 -9.146 1.889 -3.058
25 HG3 LYS 4 HG1 LYS 4 -8.840 0.253 -3.643
26 HD2 LYS 4 HD2 LYS 4 -10.273 0.811 -1.052
27 HD3 LYS 4 HD1 LYS 4 -11.119 0.685 -2.597
28 HE2 LYS 4 HE2 LYS 4 -9.406 -1.458 -1.330
29 HE3 LYS 4 HE1 LYS 4 -11.169 -1.434 -1.373
30 HZ1 LYS 4 HZ1 LYS 4 -9.286 -1.804 -3.620
31 HZ2 LYS 4 HZ2 LYS 4 -10.894 -1.339 -3.891
32 HZ3 LYS 4 HZ3 LYS 4 -10.552 -2.815 -3.124
33 H CYS 5 HN CYS 5 -5.494 3.082 -1.297
34 HA CYS 5 HA CYS 5 -6.834 5.292 -2.504
35 HB2 CYS 5 HB2 CYS 5 -4.874 4.800 -0.345
36 HB3 CYS 5 HB1 CYS 5 -4.771 6.381 -1.118
37 H SER 6 HN SER 6 -6.270 5.233 -4.720
38 HA SER 6 HA SER 6 -3.568 5.155 -5.615
39 HB2 SER 6 HB2 SER 6 -6.045 6.020 -7.105
40 HB3 SER 6 HB1 SER 6 -4.494 5.583 -7.824
41 HG SER 6 HG SER 6 -4.861 3.504 -7.418
42 H VAL 7 HN VAL 7 -3.601 7.173 -7.577
43 HA VAL 7 HA VAL 7 -2.285 9.240 -6.354
44 HB VAL 7 HB VAL 7 -2.076 8.970 -8.678
45 HG11 VAL 7 HG11 VAL 7 -3.780 9.014 -10.290
46 HG12 VAL 7 HG12 VAL 7 -4.954 9.642 -9.130
47 HG13 VAL 7 HG13 VAL 7 -4.357 7.986 -8.979
48 HG21 VAL 7 HG21 VAL 7 -3.187 11.517 -7.746
49 HG22 VAL 7 HG22 VAL 7 -3.182 11.292 -9.494
50 HG23 VAL 7 HG23 VAL 7 -1.673 11.183 -8.587
51 H LEU 8 HN LEU 8 -5.605 9.486 -7.589
52 HA LEU 8 HA LEU 8 -6.028 11.957 -6.182
53 HB2 LEU 8 HB2 LEU 8 -8.272 11.926 -7.105
54 HB3 LEU 8 HB1 LEU 8 -7.082 11.566 -8.338
55 HG LEU 8 HG LEU 8 -7.737 9.069 -7.797
56 HD11 LEU 8 HD11 LEU 8 -10.254 10.537 -7.038
57 HD12 LEU 8 HD12 LEU 8 -9.202 9.685 -5.907
58 HD13 LEU 8 HD13 LEU 8 -10.045 8.791 -7.175
59 HD21 LEU 8 HD21 LEU 8 -9.811 10.572 -9.322
60 HD22 LEU 8 HD22 LEU 8 -8.978 9.069 -9.722
61 HD23 LEU 8 HD23 LEU 8 -8.138 10.610 -9.883
62 H LYS 9 HN LYS 9 -6.564 8.605 -5.399
63 HA LYS 9 HA LYS 9 -8.436 9.230 -3.307
64 HB2 LYS 9 HB2 LYS 9 -7.045 6.686 -4.122
65 HB3 LYS 9 HB1 LYS 9 -8.043 6.795 -2.686
66 HG2 LYS 9 HG2 LYS 9 -9.835 7.739 -4.322
67 HG3 LYS 9 HG1 LYS 9 -8.842 6.958 -5.554
68 HD2 LYS 9 HD2 LYS 9 -9.108 4.814 -4.478
69 HD3 LYS 9 HD1 LYS 9 -9.942 5.564 -3.113
70 HE2 LYS 9 HE2 LYS 9 -11.732 6.299 -4.657
71 HE3 LYS 9 HE1 LYS 9 -10.923 5.440 -5.967
72 HZ1 LYS 9 HZ1 LYS 9 -11.218 3.369 -4.704
73 HZ2 LYS 9 HZ2 LYS 9 -12.696 4.110 -5.070
74 HZ3 LYS 9 HZ3 LYS 9 -12.069 4.222 -3.505
75 H LYS 10 HN LYS 10 -5.127 9.461 -3.692
76 HA LYS 10 HA LYS 10 -4.286 8.875 -1.013
77 HB2 LYS 10 HB2 LYS 10 -2.627 8.807 -2.769
78 HB3 LYS 10 HB1 LYS 10 -3.032 10.434 -3.291
79 HG2 LYS 10 HG2 LYS 10 -0.942 10.496 -2.134
80 HG3 LYS 10 HG1 LYS 10 -2.156 11.297 -1.141
81 HD2 LYS 10 HD2 LYS 10 -0.881 9.978 0.342
82 HD3 LYS 10 HD1 LYS 10 -2.393 9.100 0.103
83 HE2 LYS 10 HE2 LYS 10 -1.378 7.484 -1.253
84 HE3 LYS 10 HE1 LYS 10 0.029 8.495 -1.569
85 HZ1 LYS 10 HZ1 LYS 10 0.082 8.196 1.125
86 HZ2 LYS 10 HZ2 LYS 10 0.996 7.290 0.029
87 HZ3 LYS 10 HZ3 LYS 10 -0.471 6.678 0.616
88 H VAL 11 HN VAL 11 -5.947 11.345 -2.594
89 HA VAL 11 HA VAL 11 -5.408 13.417 -0.627
90 HB VAL 11 HB VAL 11 -6.071 13.374 -3.337
91 HG11 VAL 11 HG11 VAL 11 -8.325 14.917 -2.250
92 HG12 VAL 11 HG12 VAL 11 -8.491 13.160 -2.229
93 HG13 VAL 11 HG13 VAL 11 -8.176 13.994 -3.748
94 HG21 VAL 11 HG21 VAL 11 -5.194 15.207 -1.446
95 HG22 VAL 11 HG22 VAL 11 -6.579 15.958 -2.237
96 HG23 VAL 11 HG23 VAL 11 -5.220 15.383 -3.203
97 H ALA 12 HN ALA 12 -7.616 10.953 -1.480
98 HA ALA 12 HA ALA 12 -9.819 11.910 0.107
99 HB1 ALA 12 HB1 ALA 12 -9.742 9.134 -0.954
100 HB2 ALA 12 HB2 ALA 12 -9.873 10.485 -2.083
101 HB3 ALA 12 HB3 ALA 12 -11.089 10.262 -0.826
102 H CYS 13 HN CYS 13 -7.063 9.826 0.746
103 HA CYS 13 HA CYS 13 -8.373 8.333 2.787
104 HB2 CYS 13 HB2 CYS 13 -5.900 8.103 3.701
105 HB3 CYS 13 HB1 CYS 13 -6.469 7.190 2.307
106 H ALA 14 HN ALA 14 -7.411 11.545 2.629
107 HA ALA 14 HA ALA 14 -6.952 11.877 5.444
108 HB1 ALA 14 HB1 ALA 14 -6.314 13.976 4.914
109 HB2 ALA 14 HB2 ALA 14 -7.771 14.270 3.957
110 HB3 ALA 14 HB3 ALA 14 -6.393 13.426 3.245
111 H ALA 15 HN ALA 15 -9.599 12.427 3.147
112 HA ALA 15 HA ALA 15 -11.421 13.399 5.092
113 HB1 ALA 15 HB1 ALA 15 -12.685 11.985 2.894
114 HB2 ALA 15 HB2 ALA 15 -11.466 13.130 2.339
115 HB3 ALA 15 HB3 ALA 15 -12.802 13.683 3.357
116 H ALA 16 HN ALA 16 -10.357 10.290 4.104
117 HA ALA 16 HA ALA 16 -12.494 8.849 5.362
118 HB1 ALA 16 HB1 ALA 16 -11.521 6.917 4.522
119 HB2 ALA 16 HB2 ALA 16 -9.905 7.623 4.501
120 HB3 ALA 16 HB3 ALA 16 -11.103 8.135 3.312
121 H ILE 17 HN ILE 17 -8.946 9.007 5.976
122 HA ILE 17 HA ILE 17 -9.512 7.987 8.624
123 HB ILE 17 HB ILE 17 -7.714 7.032 6.990
124 HG12 ILE 17 HG12 ILE 17 -8.307 6.323 9.302
125 HG13 ILE 17 HG11 ILE 17 -6.613 6.095 8.877
126 HG21 ILE 17 HG21 ILE 17 -6.489 9.501 7.658
127 HG22 ILE 17 HG22 ILE 17 -5.842 8.173 6.676
128 HG23 ILE 17 HG23 ILE 17 -5.588 8.185 8.446
129 HD11 ILE 17 HD11 ILE 17 -5.948 7.360 10.533
130 HD12 ILE 17 HD12 ILE 17 -7.622 7.413 11.087
131 HD13 ILE 17 HD13 ILE 17 -7.005 8.676 10.024
132 H ALA 18 HN ALA 18 -7.901 10.873 7.235
133 HA ALA 18 HA ALA 18 -6.871 11.892 9.612
134 HB1 ALA 18 HB1 ALA 18 -8.180 13.754 7.676
135 HB2 ALA 18 HB2 ALA 18 -6.726 12.864 7.222
136 HB3 ALA 18 HB3 ALA 18 -6.692 13.966 8.601
137 H GLY 19 HN GLY 19 -10.143 11.622 8.577
138 HA2 GLY 19 HA2 GLY 19 -11.220 13.377 10.628
139 HA3 GLY 19 HA1 GLY 19 -12.145 12.389 9.501
140 H ALA 20 HN ALA 20 -10.450 10.001 10.214
141 HA ALA 20 HA ALA 20 -12.066 9.040 12.376
142 HB1 ALA 20 HB1 ALA 20 -9.925 7.803 10.670
143 HB2 ALA 20 HB2 ALA 20 -11.643 7.410 10.756
144 HB3 ALA 20 HB3 ALA 20 -10.573 6.973 12.085
145 H VAL 21 HN VAL 21 -8.695 9.985 11.964
146 HA VAL 21 HA VAL 21 -7.897 9.150 14.580
147 HB VAL 21 HB VAL 21 -5.959 10.590 14.326
148 HG11 VAL 21 HG11 VAL 21 -6.712 8.622 12.305
149 HG12 VAL 21 HG12 VAL 21 -5.250 8.743 13.287
150 HG13 VAL 21 HG13 VAL 21 -5.405 9.707 11.817
151 HG21 VAL 21 HG21 VAL 21 -7.184 11.580 11.769
152 HG22 VAL 21 HG22 VAL 21 -5.567 11.964 12.372
153 HG23 VAL 21 HG23 VAL 21 -6.993 12.493 13.270
154 H ALA 22 HN ALA 22 -9.105 12.050 13.129
155 HA ALA 22 HA ALA 22 -8.935 13.843 15.263
156 HB1 ALA 22 HB1 ALA 22 -10.499 13.641 12.758
157 HB2 ALA 22 HB2 ALA 22 -9.525 14.976 13.383
158 HB3 ALA 22 HB3 ALA 22 -11.154 14.703 14.006
159 H ALA 23 HN ALA 23 -11.000 11.130 14.677
160 HA ALA 23 HA ALA 23 -13.124 11.898 16.399
161 HB1 ALA 23 HB1 ALA 23 -13.002 9.087 16.327
162 HB2 ALA 23 HB2 ALA 23 -12.491 9.650 14.730
163 HB3 ALA 23 HB3 ALA 23 -14.053 10.148 15.392
164 H CYS 24 HN CYS 24 -9.944 10.511 16.949
165 HA CYS 24 HA CYS 24 -10.732 10.273 19.762
166 HB2 CYS 24 HB2 CYS 24 -9.174 8.444 20.105
167 HB3 CYS 24 HB1 CYS 24 -10.362 8.079 18.875
168 H GLY 25 HN GLY 25 -8.363 11.686 17.608
169 HA2 GLY 25 HA2 GLY 25 -7.470 13.688 18.951
170 HA3 GLY 25 HA1 GLY 25 -6.848 12.444 20.011
171 H GLY 26 HN GLY 26 -6.457 10.967 17.196
172 HA2 GLY 26 HA2 GLY 26 -4.587 12.236 15.670
173 HA3 GLY 26 HA1 GLY 26 -3.666 11.729 17.078
174 H ILE 27 HN ILE 27 -2.484 10.544 15.334
175 HA ILE 27 HA ILE 27 -3.764 8.354 14.048
176 HB ILE 27 HB ILE 27 -0.841 9.065 14.351
177 HG12 ILE 27 HG12 ILE 27 -2.426 10.347 12.820
178 HG13 ILE 27 HG11 ILE 27 -1.001 9.655 12.045
179 HG21 ILE 27 HG21 ILE 27 -0.984 6.622 14.255
180 HG22 ILE 27 HG22 ILE 27 -0.359 7.268 12.737
181 HG23 ILE 27 HG23 ILE 27 -2.039 6.734 12.837
182 HD11 ILE 27 HD11 ILE 27 -3.706 9.273 11.367
183 HD12 ILE 27 HD12 ILE 27 -3.107 7.725 11.992
184 HD13 ILE 27 HD13 ILE 27 -2.279 8.525 10.647
185 H ASP 28 HN ASP 28 -4.812 7.500 15.878
186 HA ASP 28 HA ASP 28 -3.189 5.731 17.557
187 HB2 ASP 28 HB2 ASP 28 -6.112 6.572 17.726
188 HB3 ASP 28 HB1 ASP 28 -5.326 5.466 18.828
189 H LEU 29 HN LEU 29 -2.798 4.367 15.700
190 HA LEU 29 HA LEU 29 -4.596 3.741 13.834
191 HB2 LEU 29 HB2 LEU 29 -3.243 1.597 13.468
192 HB3 LEU 29 HB1 LEU 29 -2.506 3.151 13.237
193 HG LEU 29 HG LEU 29 -2.085 1.506 15.740
194 HD11 LEU 29 HD11 LEU 29 0.100 1.788 13.795
195 HD12 LEU 29 HD12 LEU 29 -1.240 0.767 13.257
196 HD13 LEU 29 HD13 LEU 29 -0.391 0.391 14.756
197 HD21 LEU 29 HD21 LEU 29 -0.048 2.958 15.883
198 HD22 LEU 29 HD22 LEU 29 -1.570 3.817 16.114
199 HD23 LEU 29 HD23 LEU 29 -0.720 3.928 14.572
200 HA PRO 30 HA PRO 30 -6.354 -0.110 16.129
201 HB2 PRO 30 HB2 PRO 30 -6.564 0.141 18.835
202 HB3 PRO 30 HB1 PRO 30 -5.237 -0.714 18.044
203 HG2 PRO 30 HG2 PRO 30 -5.302 2.057 19.167
204 HG3 PRO 30 HG1 PRO 30 -4.014 0.846 19.255
205 HD2 PRO 30 HD2 PRO 30 -3.953 2.921 17.514
206 HD3 PRO 30 HD1 PRO 30 -3.221 1.344 17.154
207 H CYS 31 HN CYS 31 -6.561 3.180 17.213
208 HA CYS 31 HA CYS 31 -9.291 3.187 18.012
209 HB2 CYS 31 HB2 CYS 31 -8.204 4.934 18.996
210 HB3 CYS 31 HB1 CYS 31 -7.112 5.166 17.650
211 H VAL 32 HN VAL 32 -7.618 4.883 15.430
212 HA VAL 32 HA VAL 32 -9.927 5.845 14.224
213 HB VAL 32 HB VAL 32 -8.556 6.918 12.748
214 HG11 VAL 32 HG11 VAL 32 -6.388 7.350 13.773
215 HG12 VAL 32 HG12 VAL 32 -6.606 5.936 14.810
216 HG13 VAL 32 HG13 VAL 32 -7.692 7.325 14.984
217 HG21 VAL 32 HG21 VAL 32 -6.909 4.433 12.582
218 HG22 VAL 32 HG22 VAL 32 -6.503 5.975 11.799
219 HG23 VAL 32 HG23 VAL 32 -7.995 5.128 11.356
220 H LEU 33 HN LEU 33 -8.079 2.913 13.458
221 HA LEU 33 HA LEU 33 -9.504 2.471 11.062
222 HB2 LEU 33 HB2 LEU 33 -7.242 1.530 11.720
223 HB3 LEU 33 HB1 LEU 33 -8.128 0.333 12.648
224 HG LEU 33 HG LEU 33 -9.041 0.610 9.877
225 HD11 LEU 33 HD11 LEU 33 -7.175 -0.561 8.894
226 HD12 LEU 33 HD12 LEU 33 -6.290 -0.533 10.432
227 HD13 LEU 33 HD13 LEU 33 -6.632 0.977 9.559
228 HD21 LEU 33 HD21 LEU 33 -8.567 -1.470 11.921
229 HD22 LEU 33 HD22 LEU 33 -8.526 -1.966 10.229
230 HD23 LEU 33 HD23 LEU 33 -9.969 -1.193 10.888
231 H ALA 34 HN ALA 34 -10.419 2.037 14.312
232 HA ALA 34 HA ALA 34 -12.201 -0.155 13.948
233 HB1 ALA 34 HB1 ALA 34 -12.090 2.055 15.996
234 HB2 ALA 34 HB2 ALA 34 -11.619 0.365 16.188
235 HB3 ALA 34 HB3 ALA 34 -13.322 0.794 16.019
236 H ALA 35 HN ALA 35 -12.329 3.241 13.326
237 HA ALA 35 HA ALA 35 -15.159 3.077 12.527
238 HB1 ALA 35 HB1 ALA 35 -15.042 5.568 12.506
239 HB2 ALA 35 HB2 ALA 35 -13.405 5.448 13.146
240 HB3 ALA 35 HB3 ALA 35 -14.769 4.856 14.097
241 H LEU 36 HN LEU 36 -11.906 3.834 11.514
242 HA LEU 36 HA LEU 36 -12.465 4.852 8.943
243 HB2 LEU 36 HB2 LEU 36 -10.277 5.223 9.847
244 HB3 LEU 36 HB1 LEU 36 -10.028 3.504 10.105
245 HG LEU 36 HG LEU 36 -10.225 3.240 7.585
246 HD11 LEU 36 HD11 LEU 36 -11.275 5.380 7.226
247 HD12 LEU 36 HD12 LEU 36 -9.818 5.160 6.247
248 HD13 LEU 36 HD13 LEU 36 -9.767 6.193 7.702
249 HD21 LEU 36 HD21 LEU 36 -8.018 3.424 7.251
250 HD22 LEU 36 HD22 LEU 36 -8.038 3.471 9.034
251 HD23 LEU 36 HD23 LEU 36 -7.895 4.979 8.103
252 H LYS 37 HN LYS 37 -12.427 1.661 10.256
253 HA LYS 37 HA LYS 37 -11.716 0.342 7.902
254 HB2 LYS 37 HB2 LYS 37 -12.611 -0.452 10.501
255 HB3 LYS 37 HB1 LYS 37 -13.610 -1.297 9.324
256 HG2 LYS 37 HG2 LYS 37 -10.649 -1.445 9.731
257 HG3 LYS 37 HG1 LYS 37 -11.837 -2.744 9.740
258 HD2 LYS 37 HD2 LYS 37 -12.176 -2.420 7.321
259 HD3 LYS 37 HD1 LYS 37 -10.941 -1.158 7.335
260 HE2 LYS 37 HE2 LYS 37 -9.976 -3.244 6.559
261 HE3 LYS 37 HE1 LYS 37 -9.293 -2.813 8.125
262 HZ1 LYS 37 HZ1 LYS 37 -9.999 -5.214 7.760
263 HZ2 LYS 37 HZ2 LYS 37 -11.594 -4.658 7.908
264 HZ3 LYS 37 HZ3 LYS 37 -10.501 -4.469 9.198
265 H ALA 38 HN ALA 38 -14.485 2.124 8.624
266 HA ALA 38 HA ALA 38 -16.457 0.750 7.117
267 HB1 ALA 38 HB1 ALA 38 -17.697 2.329 8.089
268 HB2 ALA 38 HB2 ALA 38 -17.005 3.508 6.974
269 HB3 ALA 38 HB3 ALA 38 -16.253 3.234 8.545
270 H ALA 39 HN ALA 39 -13.670 2.494 6.341
271 HA ALA 39 HA ALA 39 -14.301 3.526 3.788
272 HB1 ALA 39 HB1 ALA 39 -12.320 4.346 4.821
273 HB2 ALA 39 HB2 ALA 39 -11.770 3.372 3.460
274 HB3 ALA 39 HB3 ALA 39 -11.688 2.720 5.102
275 H GLU 40 HN GLU 40 -13.848 2.613 1.723
276 HA GLU 40 HA GLU 40 -14.494 -0.123 1.492
277 HB2 GLU 40 HB2 GLU 40 -13.960 0.158 -0.917
278 HB3 GLU 40 HB1 GLU 40 -15.053 1.386 -0.299
279 HG2 GLU 40 HG2 GLU 40 -13.218 2.981 -0.180
280 HG3 GLU 40 HG1 GLU 40 -12.100 1.745 -0.759
281 H GLY 41 HN GLY 41 -11.625 1.374 2.279
282 HA2 GLY 41 HA2 GLY 41 -9.989 -0.431 3.044
283 HA3 GLY 41 HA1 GLY 41 -9.986 -0.879 1.343
284 H CYS 42 HN CYS 42 -9.858 2.282 3.051
285 HA CYS 42 HA CYS 42 -7.444 2.773 1.455
286 HB2 CYS 42 HB2 CYS 42 -9.803 4.410 1.814
287 HB3 CYS 42 HB1 CYS 42 -8.350 5.255 2.332
288 H ALA 43 HN ALA 43 -8.124 1.621 4.150
289 HA ALA 43 HA ALA 43 -6.939 3.268 6.137
290 HB1 ALA 43 HB1 ALA 43 -6.767 1.128 7.377
291 HB2 ALA 43 HB2 ALA 43 -7.304 0.289 5.923
292 HB3 ALA 43 HB3 ALA 43 -8.384 1.427 6.733
293 H SER 44 HN SER 44 -5.914 1.368 3.559
294 HA SER 44 HA SER 44 -3.345 0.534 4.195
295 HB2 SER 44 HB2 SER 44 -3.036 0.670 1.712
296 HB3 SER 44 HB1 SER 44 -4.519 -0.164 2.185
297 HG SER 44 HG SER 44 -4.177 2.387 1.047
298 H CYS 45 HN CYS 45 -4.654 3.547 3.113
299 HA CYS 45 HA CYS 45 -2.177 4.947 2.667
300 HB2 CYS 45 HB2 CYS 45 -4.444 5.584 1.688
301 HB3 CYS 45 HB1 CYS 45 -4.868 6.198 3.287
302 H PHE 46 HN PHE 46 -4.321 4.433 5.309
303 HA PHE 46 HA PHE 46 -3.304 6.415 7.056
304 HB2 PHE 46 HB2 PHE 46 -5.464 5.742 7.561
305 HB3 PHE 46 HB1 PHE 46 -5.111 4.040 7.287
306 HD1 PHE 46 HD1 PHE 46 -4.577 6.836 9.724
307 HD2 PHE 46 HD2 PHE 46 -4.614 2.628 9.046
308 HE1 PHE 46 HE1 PHE 46 -4.370 6.465 12.072
309 HE2 PHE 46 HE2 PHE 46 -4.418 2.259 11.428
310 HZ PHE 46 HZ PHE 46 -4.287 4.158 12.957
311 H CYS 47 HN CYS 47 -3.068 2.832 7.346
312 HA CYS 47 HA CYS 47 -0.793 3.229 9.102
313 HB2 CYS 47 HB2 CYS 47 -2.707 1.557 9.412
314 HB3 CYS 47 HB1 CYS 47 -1.854 0.564 8.237
315 H GLU 48 HN GLU 48 -0.230 3.863 6.244
316 HA GLU 48 HA GLU 48 1.580 1.666 5.581
317 HB2 GLU 48 HB2 GLU 48 1.822 2.640 3.419
318 HB3 GLU 48 HB1 GLU 48 0.116 2.632 3.829
319 HG2 GLU 48 HG2 GLU 48 0.166 4.989 4.301
320 HG3 GLU 48 HG1 GLU 48 1.909 5.034 4.008
321 H ASP 49 HN ASP 49 1.594 4.320 7.428
322 HA ASP 49 HA ASP 49 4.433 4.962 6.986
323 HB2 ASP 49 HB2 ASP 49 2.960 6.901 6.847
324 HB3 ASP 49 HB1 ASP 49 2.233 6.499 8.396
325 H HIS 50 HN HIS 50 2.091 3.694 9.186
326 HA HIS 50 HA HIS 50 4.202 3.104 11.151
327 HB2 HIS 50 HB2 HIS 50 2.298 3.346 12.885
328 HB3 HIS 50 HB1 HIS 50 3.020 4.814 12.247
329 HD1 HIS 50 HD1 HIS 50 -0.101 2.687 11.845
330 HD2 HIS 50 HD2 HIS 50 1.295 6.505 10.962
331 HE1 HIS 50 HE1 HIS 50 -2.089 3.956 10.974
332 HE2 HIS 50 HE2 HIS 50 -1.160 6.180 10.243
333 H CYS 51 HN CYS 51 3.551 1.193 9.270
334 HA CYS 51 HA CYS 51 1.455 -0.430 10.346
335 HB2 CYS 51 HB2 CYS 51 1.847 -1.930 8.547
336 HB3 CYS 51 HB1 CYS 51 1.818 -0.297 7.926
337 H HIS 52 HN HIS 52 2.227 -0.695 12.418
338 HA HIS 52 HA HIS 52 3.832 -3.074 12.738
339 HB2 HIS 52 HB2 HIS 52 5.367 -2.070 14.374
340 HB3 HIS 52 HB1 HIS 52 5.541 -1.296 12.805
341 HD1 HIS 52 HD1 HIS 52 6.697 0.588 14.419
342 HD2 HIS 52 HD2 HIS 52 2.557 0.193 14.647
343 HE1 HIS 52 HE1 HIS 52 5.870 2.672 15.574
344 HE2 HIS 52 HE2 HIS 52 3.388 2.301 15.881
345 H GLY 53 HN GLY 53 3.921 -3.532 15.253
346 HA2 GLY 53 HA2 GLY 53 2.713 -4.087 17.114
347 HA3 GLY 53 HA1 GLY 53 2.118 -2.441 17.039
348 H VAL 54 HN VAL 54 0.036 -2.072 16.491
349 HA VAL 54 HA VAL 54 -1.696 -4.370 16.397
350 HB VAL 54 HB VAL 54 -2.053 -2.256 17.805
351 HG11 VAL 54 HG11 VAL 54 -1.651 -0.615 16.079
352 HG12 VAL 54 HG12 VAL 54 -3.299 -0.450 16.687
353 HG13 VAL 54 HG13 VAL 54 -3.004 -1.247 15.139
354 HG21 VAL 54 HG21 VAL 54 -4.127 -3.643 16.172
355 HG22 VAL 54 HG22 VAL 54 -4.599 -2.284 17.194
356 HG23 VAL 54 HG23 VAL 54 -3.832 -3.703 17.910
357 H CYS 55 HN CYS 55 -0.137 -2.531 14.060
358 HA CYS 55 HA CYS 55 -2.217 -2.273 12.101
359 HB2 CYS 55 HB2 CYS 55 0.204 -1.249 12.162
360 HB3 CYS 55 HB1 CYS 55 0.656 -2.742 11.340
361 H LYS 56 HN LYS 56 -0.642 -4.916 13.443
362 HA LYS 56 HA LYS 56 -0.928 -6.679 11.146
363 HB2 LYS 56 HB2 LYS 56 0.919 -6.832 12.950
364 HB3 LYS 56 HB1 LYS 56 -0.326 -7.504 13.992
365 HG2 LYS 56 HG2 LYS 56 -0.685 -9.318 12.375
366 HG3 LYS 56 HG1 LYS 56 0.607 -8.657 11.369
367 HD2 LYS 56 HD2 LYS 56 0.896 -9.658 14.202
368 HD3 LYS 56 HD1 LYS 56 1.413 -10.509 12.747
369 HE2 LYS 56 HE2 LYS 56 2.460 -7.837 13.688
370 HE3 LYS 56 HE1 LYS 56 3.279 -9.385 13.888
371 HZ1 LYS 56 HZ1 LYS 56 3.577 -9.584 11.563
372 HZ2 LYS 56 HZ2 LYS 56 4.028 -7.996 11.964
373 HZ3 LYS 56 HZ3 LYS 56 2.533 -8.287 11.235
374 H ASP 57 HN ASP 57 -2.629 -5.521 13.875
375 HA ASP 57 HA ASP 57 -4.580 -7.661 13.966
376 HB2 ASP 57 HB2 ASP 57 -3.687 -5.837 15.830
377 HB3 ASP 57 HB1 ASP 57 -5.232 -5.157 15.341
378 H LEU 58 HN LEU 58 -4.501 -4.186 13.012
379 HA LEU 58 HA LEU 58 -7.212 -4.360 12.145
380 HB2 LEU 58 HB2 LEU 58 -6.953 -2.078 11.242
381 HB3 LEU 58 HB1 LEU 58 -6.638 -2.251 12.939
382 HG LEU 58 HG LEU 58 -5.219 -0.664 11.392
383 HD11 LEU 58 HD11 LEU 58 -3.296 -1.745 13.165
384 HD12 LEU 58 HD12 LEU 58 -4.882 -1.839 13.929
385 HD13 LEU 58 HD13 LEU 58 -4.284 -0.288 13.332
386 HD21 LEU 58 HD21 LEU 58 -3.006 -1.811 10.954
387 HD22 LEU 58 HD22 LEU 58 -4.325 -2.146 9.834
388 HD23 LEU 58 HD23 LEU 58 -3.895 -3.331 11.068
389 H HIS 59 HN HIS 59 -4.495 -5.535 10.886
390 HA HIS 59 HA HIS 59 -3.940 -6.664 9.033
391 HB2 HIS 59 HB2 HIS 59 -6.612 -7.029 9.326
392 HB3 HIS 59 HB1 HIS 59 -6.539 -6.383 7.689
393 HD1 HIS 59 HD1 HIS 59 -4.471 -7.716 6.240
394 HD2 HIS 59 HD2 HIS 59 -6.454 -9.718 9.303
395 HE1 HIS 59 HE1 HIS 59 -4.114 -10.166 5.791
396 HE2 HIS 59 HE2 HIS 59 -5.138 -11.346 7.774
397 H LEU 60 HN LEU 60 -2.733 -4.481 8.603
398 HA LEU 60 HA LEU 60 -3.518 -3.657 5.883
399 HB2 LEU 60 HB2 LEU 60 -2.138 -1.867 7.876
400 HB3 LEU 60 HB1 LEU 60 -2.685 -1.433 6.266
401 HG LEU 60 HG LEU 60 -4.357 -1.987 8.700
402 HD11 LEU 60 HD11 LEU 60 -5.232 0.295 7.513
403 HD12 LEU 60 HD12 LEU 60 -3.487 0.355 7.260
404 HD13 LEU 60 HD13 LEU 60 -4.138 0.181 8.893
405 HD21 LEU 60 HD21 LEU 60 -6.272 -1.440 7.066
406 HD22 LEU 60 HD22 LEU 60 -5.630 -3.087 7.132
407 HD23 LEU 60 HD23 LEU 60 -5.147 -1.991 5.821
408 H CYS 61 HN CYS 61 -0.737 -3.445 8.109
409 HA CYS 61 HA CYS 61 0.935 -4.825 6.188
410 HB2 CYS 61 HB2 CYS 61 1.345 -2.684 5.317
411 HB3 CYS 61 HB1 CYS 61 1.303 -1.925 6.901
Start of MODEL 14
1 H1 ALA 1 HT1 ALA 1 1.021 1.312 -8.692
2 H2 ALA 1 HT2 ALA 1 0.933 3.024 -8.633
3 H3 ALA 1 HT3 ALA 1 -0.306 2.123 -9.416
4 HA ALA 1 HA ALA 1 -0.899 2.979 -7.221
5 HB1 ALA 1 HB1 ALA 1 -0.854 -0.026 -7.234
6 HB2 ALA 1 HB2 ALA 1 -1.850 0.892 -8.364
7 HB3 ALA 1 HB3 ALA 1 -2.101 1.058 -6.626
8 H MET 2 HN MET 2 -0.502 3.043 -5.031
9 HA MET 2 HA MET 2 2.043 1.886 -4.175
10 HB2 MET 2 HB2 MET 2 1.888 3.674 -2.350
11 HB3 MET 2 HB1 MET 2 2.237 4.214 -3.986
12 HG2 MET 2 HG2 MET 2 -0.079 4.884 -4.281
13 HG3 MET 2 HG1 MET 2 -0.465 4.290 -2.665
14 HE1 MET 2 HE1 MET 2 1.555 7.837 -4.252
15 HE2 MET 2 HE2 MET 2 2.070 6.177 -4.560
16 HE3 MET 2 HE3 MET 2 2.876 7.132 -3.314
17 H GLY 3 HN GLY 3 -1.052 2.852 -2.729
18 HA2 GLY 3 HA2 GLY 3 -0.945 0.462 -0.997
19 HA3 GLY 3 HA1 GLY 3 -1.647 1.985 -0.525
20 H LYS 4 HN LYS 4 -3.473 0.745 -0.011
21 HA LYS 4 HA LYS 4 -5.052 -0.547 -2.013
22 HB2 LYS 4 HB2 LYS 4 -4.996 -0.790 0.588
23 HB3 LYS 4 HB1 LYS 4 -6.028 0.637 0.582
24 HG2 LYS 4 HG2 LYS 4 -7.811 -0.523 -0.344
25 HG3 LYS 4 HG1 LYS 4 -6.773 -1.783 -1.024
26 HD2 LYS 4 HD2 LYS 4 -6.266 -2.549 1.286
27 HD3 LYS 4 HD1 LYS 4 -7.400 -1.345 1.901
28 HE2 LYS 4 HE2 LYS 4 -8.357 -3.626 1.747
29 HE3 LYS 4 HE1 LYS 4 -9.235 -2.430 0.795
30 HZ1 LYS 4 HZ1 LYS 4 -9.061 -4.048 -0.747
31 HZ2 LYS 4 HZ2 LYS 4 -7.644 -4.712 -0.087
32 HZ3 LYS 4 HZ3 LYS 4 -7.564 -3.314 -1.040
33 H CYS 5 HN CYS 5 -4.126 2.458 -1.302
34 HA CYS 5 HA CYS 5 -6.446 3.909 -2.322
35 HB2 CYS 5 HB2 CYS 5 -3.930 4.763 -0.887
36 HB3 CYS 5 HB1 CYS 5 -5.255 5.847 -1.316
37 H SER 6 HN SER 6 -6.317 4.770 -4.336
38 HA SER 6 HA SER 6 -3.950 4.430 -5.919
39 HB2 SER 6 HB2 SER 6 -5.337 5.548 -7.699
40 HB3 SER 6 HB1 SER 6 -6.052 4.085 -7.025
41 HG SER 6 HG SER 6 -7.721 5.346 -6.743
42 H VAL 7 HN VAL 7 -3.912 6.661 -7.506
43 HA VAL 7 HA VAL 7 -2.248 8.416 -6.136
44 HB VAL 7 HB VAL 7 -2.103 8.337 -8.487
45 HG11 VAL 7 HG11 VAL 7 -4.874 8.106 -8.463
46 HG12 VAL 7 HG12 VAL 7 -3.797 8.030 -9.858
47 HG13 VAL 7 HG13 VAL 7 -4.514 9.571 -9.386
48 HG21 VAL 7 HG21 VAL 7 -1.649 10.492 -8.785
49 HG22 VAL 7 HG22 VAL 7 -2.332 10.738 -7.177
50 HG23 VAL 7 HG23 VAL 7 -3.344 10.947 -8.607
51 H LEU 8 HN LEU 8 -5.550 9.017 -7.230
52 HA LEU 8 HA LEU 8 -5.838 11.437 -5.750
53 HB2 LEU 8 HB2 LEU 8 -8.201 11.295 -6.418
54 HB3 LEU 8 HB1 LEU 8 -7.103 11.071 -7.766
55 HG LEU 8 HG LEU 8 -7.527 8.499 -7.155
56 HD11 LEU 8 HD11 LEU 8 -9.617 8.028 -6.291
57 HD12 LEU 8 HD12 LEU 8 -10.237 9.638 -6.658
58 HD13 LEU 8 HD13 LEU 8 -9.122 9.404 -5.315
59 HD21 LEU 8 HD21 LEU 8 -9.536 10.070 -8.744
60 HD22 LEU 8 HD22 LEU 8 -8.981 8.420 -9.016
61 HD23 LEU 8 HD23 LEU 8 -7.890 9.773 -9.308
62 H LYS 9 HN LYS 9 -6.306 8.083 -4.971
63 HA LYS 9 HA LYS 9 -7.972 8.568 -2.688
64 HB2 LYS 9 HB2 LYS 9 -6.445 6.168 -3.671
65 HB3 LYS 9 HB1 LYS 9 -7.344 6.160 -2.171
66 HG2 LYS 9 HG2 LYS 9 -8.846 7.039 -4.548
67 HG3 LYS 9 HG1 LYS 9 -8.358 5.343 -4.517
68 HD2 LYS 9 HD2 LYS 9 -9.370 5.175 -2.233
69 HD3 LYS 9 HD1 LYS 9 -9.986 6.816 -2.447
70 HE2 LYS 9 HE2 LYS 9 -11.690 5.133 -2.952
71 HE3 LYS 9 HE1 LYS 9 -11.296 6.104 -4.370
72 HZ1 LYS 9 HZ1 LYS 9 -11.483 3.765 -4.944
73 HZ2 LYS 9 HZ2 LYS 9 -10.294 3.354 -3.798
74 HZ3 LYS 9 HZ3 LYS 9 -9.879 4.288 -5.152
75 H LYS 10 HN LYS 10 -4.740 9.072 -3.368
76 HA LYS 10 HA LYS 10 -3.616 8.456 -0.785
77 HB2 LYS 10 HB2 LYS 10 -2.095 8.483 -2.652
78 HB3 LYS 10 HB1 LYS 10 -2.639 10.073 -3.160
79 HG2 LYS 10 HG2 LYS 10 -0.462 10.245 -2.162
80 HG3 LYS 10 HG1 LYS 10 -1.648 11.040 -1.126
81 HD2 LYS 10 HD2 LYS 10 -1.738 8.873 0.188
82 HD3 LYS 10 HD1 LYS 10 -0.300 8.385 -0.714
83 HE2 LYS 10 HE2 LYS 10 0.816 10.474 0.075
84 HE3 LYS 10 HE1 LYS 10 -0.586 10.782 1.100
85 HZ1 LYS 10 HZ1 LYS 10 0.044 9.227 2.570
86 HZ2 LYS 10 HZ2 LYS 10 1.579 9.451 1.891
87 HZ3 LYS 10 HZ3 LYS 10 0.620 8.150 1.382
88 H VAL 11 HN VAL 11 -5.580 10.804 -2.146
89 HA VAL 11 HA VAL 11 -4.950 12.881 -0.199
90 HB VAL 11 HB VAL 11 -5.900 12.807 -2.865
91 HG11 VAL 11 HG11 VAL 11 -8.139 12.621 -2.392
92 HG12 VAL 11 HG12 VAL 11 -7.913 14.368 -2.559
93 HG13 VAL 11 HG13 VAL 11 -8.036 13.640 -0.953
94 HG21 VAL 11 HG21 VAL 11 -5.775 15.187 -1.047
95 HG22 VAL 11 HG22 VAL 11 -5.646 15.160 -2.806
96 HG23 VAL 11 HG23 VAL 11 -4.381 14.434 -1.819
97 H ALA 12 HN ALA 12 -7.003 10.287 -0.904
98 HA ALA 12 HA ALA 12 -9.293 10.996 0.613
99 HB1 ALA 12 HB1 ALA 12 -9.912 8.600 0.320
100 HB2 ALA 12 HB2 ALA 12 -8.366 8.362 -0.496
101 HB3 ALA 12 HB3 ALA 12 -9.567 9.462 -1.178
102 H CYS 13 HN CYS 13 -6.222 9.657 1.596
103 HA CYS 13 HA CYS 13 -7.239 8.218 3.831
104 HB2 CYS 13 HB2 CYS 13 -4.709 9.154 4.612
105 HB3 CYS 13 HB1 CYS 13 -5.112 7.572 3.963
106 H ALA 14 HN ALA 14 -6.651 11.537 3.172
107 HA ALA 14 HA ALA 14 -6.796 12.341 5.928
108 HB1 ALA 14 HB1 ALA 14 -7.167 14.222 3.632
109 HB2 ALA 14 HB2 ALA 14 -5.573 13.523 3.944
110 HB3 ALA 14 HB3 ALA 14 -6.373 14.500 5.184
111 H ALA 15 HN ALA 15 -8.937 11.735 3.316
112 HA ALA 15 HA ALA 15 -11.106 13.219 4.490
113 HB1 ALA 15 HB1 ALA 15 -11.033 11.429 2.077
114 HB2 ALA 15 HB2 ALA 15 -10.951 13.191 2.077
115 HB3 ALA 15 HB3 ALA 15 -12.429 12.377 2.587
116 H ALA 16 HN ALA 16 -9.874 10.034 4.512
117 HA ALA 16 HA ALA 16 -12.327 9.037 5.744
118 HB1 ALA 16 HB1 ALA 16 -10.491 6.923 5.335
119 HB2 ALA 16 HB2 ALA 16 -10.518 7.905 3.867
120 HB3 ALA 16 HB3 ALA 16 -12.018 7.226 4.504
121 H ILE 17 HN ILE 17 -8.783 8.830 6.179
122 HA ILE 17 HA ILE 17 -9.221 7.935 8.871
123 HB ILE 17 HB ILE 17 -7.277 7.349 7.019
124 HG12 ILE 17 HG12 ILE 17 -7.789 5.678 8.445
125 HG13 ILE 17 HG11 ILE 17 -6.331 6.263 9.245
126 HG21 ILE 17 HG21 ILE 17 -6.206 9.454 8.536
127 HG22 ILE 17 HG22 ILE 17 -5.369 8.357 7.421
128 HG23 ILE 17 HG23 ILE 17 -5.509 7.943 9.154
129 HD11 ILE 17 HD11 ILE 17 -8.853 7.549 10.025
130 HD12 ILE 17 HD12 ILE 17 -7.450 7.098 10.995
131 HD13 ILE 17 HD13 ILE 17 -8.626 5.871 10.514
132 H ALA 18 HN ALA 18 -7.831 10.842 7.381
133 HA ALA 18 HA ALA 18 -6.819 11.966 9.744
134 HB1 ALA 18 HB1 ALA 18 -7.946 13.235 7.276
135 HB2 ALA 18 HB2 ALA 18 -6.258 13.094 7.770
136 HB3 ALA 18 HB3 ALA 18 -7.338 14.194 8.624
137 H GLY 19 HN GLY 19 -10.017 11.426 8.684
138 HA2 GLY 19 HA2 GLY 19 -11.225 13.225 10.633
139 HA3 GLY 19 HA1 GLY 19 -12.081 12.215 9.472
140 H ALA 20 HN ALA 20 -10.576 9.778 10.167
141 HA ALA 20 HA ALA 20 -12.199 8.961 12.380
142 HB1 ALA 20 HB1 ALA 20 -10.279 7.540 10.578
143 HB2 ALA 20 HB2 ALA 20 -11.994 7.230 10.874
144 HB3 ALA 20 HB3 ALA 20 -10.795 6.788 12.090
145 H VAL 21 HN VAL 21 -8.749 9.512 11.868
146 HA VAL 21 HA VAL 21 -7.940 8.666 14.455
147 HB VAL 21 HB VAL 21 -5.868 9.755 14.093
148 HG11 VAL 21 HG11 VAL 21 -6.538 7.728 12.621
149 HG12 VAL 21 HG12 VAL 21 -5.069 8.627 12.221
150 HG13 VAL 21 HG13 VAL 21 -6.552 8.909 11.303
151 HG21 VAL 21 HG21 VAL 21 -5.350 11.450 12.665
152 HG22 VAL 21 HG22 VAL 21 -6.994 11.868 13.159
153 HG23 VAL 21 HG23 VAL 21 -6.709 11.104 11.589
154 H ALA 22 HN ALA 22 -8.891 11.671 13.052
155 HA ALA 22 HA ALA 22 -8.521 13.412 15.213
156 HB1 ALA 22 HB1 ALA 22 -9.040 14.757 13.508
157 HB2 ALA 22 HB2 ALA 22 -10.729 14.376 13.843
158 HB3 ALA 22 HB3 ALA 22 -9.841 13.451 12.629
159 H ALA 23 HN ALA 23 -11.099 11.176 14.380
160 HA ALA 23 HA ALA 23 -13.023 12.149 16.217
161 HB1 ALA 23 HB1 ALA 23 -12.663 9.594 14.709
162 HB2 ALA 23 HB2 ALA 23 -13.983 10.769 14.650
163 HB3 ALA 23 HB3 ALA 23 -13.842 9.664 16.021
164 H CYS 24 HN CYS 24 -10.153 10.296 16.571
165 HA CYS 24 HA CYS 24 -10.924 9.458 19.271
166 HB2 CYS 24 HB2 CYS 24 -9.845 7.875 17.533
167 HB3 CYS 24 HB1 CYS 24 -8.349 8.728 17.903
168 H GLY 25 HN GLY 25 -8.393 11.279 17.512
169 HA2 GLY 25 HA2 GLY 25 -7.891 13.434 18.749
170 HA3 GLY 25 HA1 GLY 25 -7.571 12.384 20.115
171 H GLY 26 HN GLY 26 -6.689 11.847 16.750
172 HA2 GLY 26 HA2 GLY 26 -4.405 12.536 16.021
173 HA3 GLY 26 HA1 GLY 26 -3.857 11.937 17.584
174 H ILE 27 HN ILE 27 -2.445 10.682 15.980
175 HA ILE 27 HA ILE 27 -3.730 8.541 14.583
176 HB ILE 27 HB ILE 27 -0.801 9.115 15.074
177 HG12 ILE 27 HG12 ILE 27 -2.168 10.501 13.457
178 HG13 ILE 27 HG11 ILE 27 -0.791 9.663 12.739
179 HG21 ILE 27 HG21 ILE 27 -1.831 6.585 14.645
180 HG22 ILE 27 HG22 ILE 27 -0.183 7.100 14.305
181 HG23 ILE 27 HG23 ILE 27 -1.398 7.132 13.028
182 HD11 ILE 27 HD11 ILE 27 -3.531 9.512 12.012
183 HD12 ILE 27 HD12 ILE 27 -3.020 7.920 12.590
184 HD13 ILE 27 HD13 ILE 27 -2.141 8.709 11.275
185 H ASP 28 HN ASP 28 -4.952 7.687 16.310
186 HA ASP 28 HA ASP 28 -3.439 5.880 18.088
187 HB2 ASP 28 HB2 ASP 28 -5.468 7.426 18.941
188 HB3 ASP 28 HB1 ASP 28 -6.428 6.123 18.259
189 H LEU 29 HN LEU 29 -2.881 4.624 16.358
190 HA LEU 29 HA LEU 29 -4.424 3.930 14.266
191 HB2 LEU 29 HB2 LEU 29 -2.243 3.741 13.902
192 HB3 LEU 29 HB1 LEU 29 -1.883 3.085 15.491
193 HG LEU 29 HG LEU 29 -3.185 1.314 13.466
194 HD11 LEU 29 HD11 LEU 29 -1.393 1.266 12.107
195 HD12 LEU 29 HD12 LEU 29 -0.270 1.298 13.470
196 HD13 LEU 29 HD13 LEU 29 -0.932 2.809 12.838
197 HD21 LEU 29 HD21 LEU 29 -1.084 0.069 14.718
198 HD22 LEU 29 HD22 LEU 29 -2.780 -0.040 15.191
199 HD23 LEU 29 HD23 LEU 29 -1.719 1.133 15.969
200 HA PRO 30 HA PRO 30 -6.006 -0.069 16.511
201 HB2 PRO 30 HB2 PRO 30 -6.345 0.116 19.196
202 HB3 PRO 30 HB1 PRO 30 -4.883 -0.556 18.466
203 HG2 PRO 30 HG2 PRO 30 -5.354 2.157 19.623
204 HG3 PRO 30 HG1 PRO 30 -3.924 1.116 19.746
205 HD2 PRO 30 HD2 PRO 30 -4.107 3.240 18.038
206 HD3 PRO 30 HD1 PRO 30 -3.089 1.820 17.731
207 H CYS 31 HN CYS 31 -6.598 3.203 17.382
208 HA CYS 31 HA CYS 31 -9.348 2.858 18.188
209 HB2 CYS 31 HB2 CYS 31 -7.626 4.589 19.071
210 HB3 CYS 31 HB1 CYS 31 -7.977 5.461 17.595
211 H VAL 32 HN VAL 32 -7.625 4.509 15.552
212 HA VAL 32 HA VAL 32 -9.923 5.504 14.292
213 HB VAL 32 HB VAL 32 -8.546 6.377 12.677
214 HG11 VAL 32 HG11 VAL 32 -7.705 7.058 14.819
215 HG12 VAL 32 HG12 VAL 32 -6.381 6.907 13.657
216 HG13 VAL 32 HG13 VAL 32 -6.636 5.649 14.869
217 HG21 VAL 32 HG21 VAL 32 -7.677 4.882 11.304
218 HG22 VAL 32 HG22 VAL 32 -7.350 3.720 12.616
219 HG23 VAL 32 HG23 VAL 32 -6.238 5.068 12.314
220 H LEU 33 HN LEU 33 -8.283 2.371 13.796
221 HA LEU 33 HA LEU 33 -9.736 1.856 11.411
222 HB2 LEU 33 HB2 LEU 33 -7.601 0.662 12.761
223 HB3 LEU 33 HB1 LEU 33 -8.864 -0.555 12.669
224 HG LEU 33 HG LEU 33 -8.954 0.309 10.138
225 HD11 LEU 33 HD11 LEU 33 -6.973 1.875 10.828
226 HD12 LEU 33 HD12 LEU 33 -6.973 1.054 9.266
227 HD13 LEU 33 HD13 LEU 33 -6.006 0.405 10.604
228 HD21 LEU 33 HD21 LEU 33 -6.753 -1.539 10.481
229 HD22 LEU 33 HD22 LEU 33 -8.341 -1.783 9.742
230 HD23 LEU 33 HD23 LEU 33 -8.146 -1.925 11.493
231 H ALA 34 HN ALA 34 -11.227 2.371 14.060
232 HA ALA 34 HA ALA 34 -12.836 -0.075 14.088
233 HB1 ALA 34 HB1 ALA 34 -13.936 1.897 15.827
234 HB2 ALA 34 HB2 ALA 34 -12.188 1.871 16.082
235 HB3 ALA 34 HB3 ALA 34 -13.129 0.388 16.260
236 H ALA 35 HN ALA 35 -12.829 3.297 13.280
237 HA ALA 35 HA ALA 35 -15.527 3.108 12.132
238 HB1 ALA 35 HB1 ALA 35 -15.781 5.112 13.070
239 HB2 ALA 35 HB2 ALA 35 -14.624 5.731 11.886
240 HB3 ALA 35 HB3 ALA 35 -14.063 5.202 13.475
241 H LEU 36 HN LEU 36 -12.149 3.893 11.452
242 HA LEU 36 HA LEU 36 -12.487 4.649 8.745
243 HB2 LEU 36 HB2 LEU 36 -10.400 5.206 9.797
244 HB3 LEU 36 HB1 LEU 36 -10.106 3.525 10.225
245 HG LEU 36 HG LEU 36 -10.186 3.114 7.655
246 HD11 LEU 36 HD11 LEU 36 -9.722 4.865 6.268
247 HD12 LEU 36 HD12 LEU 36 -9.255 5.940 7.619
248 HD13 LEU 36 HD13 LEU 36 -10.959 5.498 7.362
249 HD21 LEU 36 HD21 LEU 36 -7.792 4.680 8.365
250 HD22 LEU 36 HD22 LEU 36 -7.938 3.110 7.540
251 HD23 LEU 36 HD23 LEU 36 -8.142 3.217 9.306
252 H LYS 37 HN LYS 37 -12.385 1.604 10.363
253 HA LYS 37 HA LYS 37 -11.385 0.110 8.247
254 HB2 LYS 37 HB2 LYS 37 -11.892 -0.591 10.730
255 HB3 LYS 37 HB1 LYS 37 -13.484 -1.006 10.116
256 HG2 LYS 37 HG2 LYS 37 -12.414 -2.550 8.490
257 HG3 LYS 37 HG1 LYS 37 -10.862 -2.214 9.262
258 HD2 LYS 37 HD2 LYS 37 -11.701 -3.060 11.382
259 HD3 LYS 37 HD1 LYS 37 -13.292 -3.325 10.667
260 HE2 LYS 37 HE2 LYS 37 -12.253 -5.438 10.705
261 HE3 LYS 37 HE1 LYS 37 -12.154 -4.889 9.033
262 HZ1 LYS 37 HZ1 LYS 37 -9.961 -4.742 11.038
263 HZ2 LYS 37 HZ2 LYS 37 -9.858 -4.224 9.419
264 HZ3 LYS 37 HZ3 LYS 37 -10.081 -5.869 9.779
265 H ALA 38 HN ALA 38 -14.399 1.657 8.608
266 HA ALA 38 HA ALA 38 -15.829 -0.013 6.719
267 HB1 ALA 38 HB1 ALA 38 -17.296 2.310 7.014
268 HB2 ALA 38 HB2 ALA 38 -16.519 2.111 8.582
269 HB3 ALA 38 HB3 ALA 38 -17.519 0.818 7.925
270 H ALA 39 HN ALA 39 -13.348 1.938 6.319
271 HA ALA 39 HA ALA 39 -14.102 3.821 4.358
272 HB1 ALA 39 HB1 ALA 39 -11.999 4.393 4.944
273 HB2 ALA 39 HB2 ALA 39 -11.497 3.215 3.731
274 HB3 ALA 39 HB3 ALA 39 -11.578 2.744 5.434
275 H GLU 40 HN GLU 40 -13.315 3.713 2.063
276 HA GLU 40 HA GLU 40 -14.306 1.302 0.815
277 HB2 GLU 40 HB2 GLU 40 -13.707 2.590 -1.307
278 HB3 GLU 40 HB1 GLU 40 -14.926 3.323 -0.273
279 HG2 GLU 40 HG2 GLU 40 -13.214 4.802 0.676
280 HG3 GLU 40 HG1 GLU 40 -12.016 4.082 -0.397
281 H GLY 41 HN GLY 41 -12.043 0.913 2.421
282 HA2 GLY 41 HA2 GLY 41 -10.130 -0.364 2.334
283 HA3 GLY 41 HA1 GLY 41 -10.302 -0.423 0.580
284 H CYS 42 HN CYS 42 -9.399 1.833 3.232
285 HA CYS 42 HA CYS 42 -7.171 2.664 1.573
286 HB2 CYS 42 HB2 CYS 42 -9.532 4.268 1.788
287 HB3 CYS 42 HB1 CYS 42 -8.204 5.037 2.635
288 H ALA 43 HN ALA 43 -7.964 1.368 4.196
289 HA ALA 43 HA ALA 43 -7.102 2.973 6.325
290 HB1 ALA 43 HB1 ALA 43 -7.214 1.067 7.572
291 HB2 ALA 43 HB2 ALA 43 -6.534 0.065 6.288
292 HB3 ALA 43 HB3 ALA 43 -8.223 0.602 6.199
293 H SER 44 HN SER 44 -5.466 0.935 4.011
294 HA SER 44 HA SER 44 -2.905 0.742 4.964
295 HB2 SER 44 HB2 SER 44 -2.231 0.762 2.557
296 HB3 SER 44 HB1 SER 44 -3.564 -0.336 2.903
297 HG SER 44 HG SER 44 -3.522 2.053 1.454
298 H CYS 45 HN CYS 45 -4.431 3.397 3.262
299 HA CYS 45 HA CYS 45 -2.250 5.070 2.782
300 HB2 CYS 45 HB2 CYS 45 -4.994 5.351 2.568
301 HB3 CYS 45 HB1 CYS 45 -4.561 6.565 3.779
302 H PHE 46 HN PHE 46 -4.273 4.787 5.609
303 HA PHE 46 HA PHE 46 -3.037 6.741 7.221
304 HB2 PHE 46 HB2 PHE 46 -5.124 6.269 7.998
305 HB3 PHE 46 HB1 PHE 46 -5.067 4.608 7.446
306 HD1 PHE 46 HD1 PHE 46 -4.285 6.853 10.326
307 HD2 PHE 46 HD2 PHE 46 -4.496 2.859 8.875
308 HE1 PHE 46 HE1 PHE 46 -4.189 6.032 12.576
309 HE2 PHE 46 HE2 PHE 46 -4.382 2.032 11.153
310 HZ PHE 46 HZ PHE 46 -4.265 3.601 13.020
311 H CYS 47 HN CYS 47 -2.943 3.178 7.465
312 HA CYS 47 HA CYS 47 -0.725 3.327 9.268
313 HB2 CYS 47 HB2 CYS 47 -2.602 1.578 9.128
314 HB3 CYS 47 HB1 CYS 47 -1.562 0.794 7.940
315 H GLU 48 HN GLU 48 -0.495 3.653 5.925
316 HA GLU 48 HA GLU 48 1.623 1.877 5.335
317 HB2 GLU 48 HB2 GLU 48 0.612 4.391 4.112
318 HB3 GLU 48 HB1 GLU 48 2.266 3.947 3.725
319 HG2 GLU 48 HG2 GLU 48 1.361 1.691 3.037
320 HG3 GLU 48 HG1 GLU 48 -0.248 2.409 3.162
321 H ASP 49 HN ASP 49 1.568 4.930 6.974
322 HA ASP 49 HA ASP 49 4.437 5.267 6.907
323 HB2 ASP 49 HB2 ASP 49 2.759 7.158 6.912
324 HB3 ASP 49 HB1 ASP 49 2.399 6.746 8.583
325 H HIS 50 HN HIS 50 2.002 3.986 9.061
326 HA HIS 50 HA HIS 50 4.144 3.174 10.900
327 HB2 HIS 50 HB2 HIS 50 2.350 3.519 12.744
328 HB3 HIS 50 HB1 HIS 50 3.210 4.917 12.125
329 HD1 HIS 50 HD1 HIS 50 -0.091 3.125 11.452
330 HD2 HIS 50 HD2 HIS 50 1.562 6.942 11.414
331 HE1 HIS 50 HE1 HIS 50 -1.990 4.683 10.911
332 HE2 HIS 50 HE2 HIS 50 -0.923 6.959 10.699
333 H CYS 51 HN CYS 51 3.476 1.271 9.176
334 HA CYS 51 HA CYS 51 1.212 -0.278 10.055
335 HB2 CYS 51 HB2 CYS 51 3.171 -0.462 7.871
336 HB3 CYS 51 HB1 CYS 51 2.677 -2.015 8.515
337 H HIS 52 HN HIS 52 2.109 -0.129 12.317
338 HA HIS 52 HA HIS 52 3.404 -2.667 12.968
339 HB2 HIS 52 HB2 HIS 52 5.052 -1.657 14.430
340 HB3 HIS 52 HB1 HIS 52 5.215 -0.904 12.847
341 HD1 HIS 52 HD1 HIS 52 3.509 1.406 12.764
342 HD2 HIS 52 HD2 HIS 52 5.216 0.232 16.367
343 HE1 HIS 52 HE1 HIS 52 3.374 3.421 14.258
344 HE2 HIS 52 HE2 HIS 52 4.301 2.659 16.476
345 H GLY 53 HN GLY 53 3.621 -2.375 15.675
346 HA2 GLY 53 HA2 GLY 53 2.414 -2.382 17.626
347 HA3 GLY 53 HA1 GLY 53 1.509 -1.036 16.952
348 H VAL 54 HN VAL 54 -0.595 -1.357 16.699
349 HA VAL 54 HA VAL 54 -1.567 -4.091 16.757
350 HB VAL 54 HB VAL 54 -2.331 -2.118 18.294
351 HG11 VAL 54 HG11 VAL 54 -2.940 -0.414 16.850
352 HG12 VAL 54 HG12 VAL 54 -4.496 -1.193 17.196
353 HG13 VAL 54 HG13 VAL 54 -3.657 -1.559 15.684
354 HG21 VAL 54 HG21 VAL 54 -3.526 -3.961 18.801
355 HG22 VAL 54 HG22 VAL 54 -3.835 -4.359 17.112
356 HG23 VAL 54 HG23 VAL 54 -4.805 -3.128 17.916
357 H CYS 55 HN CYS 55 -0.485 -2.356 14.383
358 HA CYS 55 HA CYS 55 -2.741 -2.150 12.541
359 HB2 CYS 55 HB2 CYS 55 -0.500 -0.833 12.468
360 HB3 CYS 55 HB1 CYS 55 0.181 -2.296 11.763
361 H LYS 56 HN LYS 56 -0.685 -4.384 13.815
362 HA LYS 56 HA LYS 56 -0.663 -6.380 11.780
363 HB2 LYS 56 HB2 LYS 56 0.093 -6.158 14.683
364 HB3 LYS 56 HB1 LYS 56 0.173 -7.687 13.849
365 HG2 LYS 56 HG2 LYS 56 1.551 -5.280 12.747
366 HG3 LYS 56 HG1 LYS 56 2.291 -6.225 14.041
367 HD2 LYS 56 HD2 LYS 56 2.194 -8.226 12.621
368 HD3 LYS 56 HD1 LYS 56 1.455 -7.270 11.329
369 HE2 LYS 56 HE2 LYS 56 3.399 -6.038 10.958
370 HE3 LYS 56 HE1 LYS 56 4.074 -6.447 12.533
371 HZ1 LYS 56 HZ1 LYS 56 4.842 -7.600 10.261
372 HZ2 LYS 56 HZ2 LYS 56 3.624 -8.691 10.728
373 HZ3 LYS 56 HZ3 LYS 56 4.927 -8.363 11.774
374 H ASP 57 HN ASP 57 -2.573 -5.501 14.580
375 HA ASP 57 HA ASP 57 -4.304 -7.849 14.435
376 HB2 ASP 57 HB2 ASP 57 -3.594 -6.310 16.555
377 HB3 ASP 57 HB1 ASP 57 -5.039 -5.454 16.043
378 H LEU 58 HN LEU 58 -4.124 -4.500 13.697
379 HA LEU 58 HA LEU 58 -6.662 -3.707 13.048
380 HB2 LEU 58 HB2 LEU 58 -3.956 -2.899 12.821
381 HB3 LEU 58 HB1 LEU 58 -4.660 -2.675 11.270
382 HG LEU 58 HG LEU 58 -6.354 -1.150 12.294
383 HD11 LEU 58 HD11 LEU 58 -6.436 -1.943 14.537
384 HD12 LEU 58 HD12 LEU 58 -5.777 -0.305 14.565
385 HD13 LEU 58 HD13 LEU 58 -4.696 -1.693 14.749
386 HD21 LEU 58 HD21 LEU 58 -4.139 -0.450 11.304
387 HD22 LEU 58 HD22 LEU 58 -3.550 -0.322 12.964
388 HD23 LEU 58 HD23 LEU 58 -4.899 0.682 12.425
389 H HIS 59 HN HIS 59 -4.171 -5.277 11.066
390 HA HIS 59 HA HIS 59 -4.209 -6.495 9.161
391 HB2 HIS 59 HB2 HIS 59 -6.554 -7.244 10.543
392 HB3 HIS 59 HB1 HIS 59 -7.027 -7.018 8.862
393 HD1 HIS 59 HD1 HIS 59 -4.130 -8.747 10.656
394 HD2 HIS 59 HD2 HIS 59 -6.759 -9.308 7.480
395 HE1 HIS 59 HE1 HIS 59 -3.540 -10.992 9.680
396 HE2 HIS 59 HE2 HIS 59 -5.041 -11.241 7.662
397 H LEU 60 HN LEU 60 -3.706 -4.466 8.157
398 HA LEU 60 HA LEU 60 -5.768 -3.746 6.225
399 HB2 LEU 60 HB2 LEU 60 -6.137 -1.742 7.110
400 HB3 LEU 60 HB1 LEU 60 -5.226 -2.274 8.507
401 HG LEU 60 HG LEU 60 -4.253 -0.539 6.234
402 HD11 LEU 60 HD11 LEU 60 -3.983 0.138 9.090
403 HD12 LEU 60 HD12 LEU 60 -5.613 0.152 8.426
404 HD13 LEU 60 HD13 LEU 60 -4.364 1.164 7.707
405 HD21 LEU 60 HD21 LEU 60 -2.325 -0.557 8.174
406 HD22 LEU 60 HD22 LEU 60 -2.235 -1.341 6.602
407 HD23 LEU 60 HD23 LEU 60 -2.758 -2.261 8.016
408 H CYS 61 HN CYS 61 -2.529 -4.416 6.942
409 HA CYS 61 HA CYS 61 -1.794 -3.895 4.173
410 HB2 CYS 61 HB2 CYS 61 0.346 -2.871 4.762
411 HB3 CYS 61 HB1 CYS 61 -0.985 -1.900 5.367
Start of MODEL 15
1 H1 ALA 1 HT1 ALA 1 2.882 2.646 -1.236
2 H2 ALA 1 HT2 ALA 1 3.155 2.235 0.411
3 H3 ALA 1 HT3 ALA 1 2.010 3.451 -0.001
4 HA ALA 1 HA ALA 1 1.847 0.577 -0.608
5 HB1 ALA 1 HB1 ALA 1 1.339 1.662 1.760
6 HB2 ALA 1 HB2 ALA 1 0.338 0.375 1.084
7 HB3 ALA 1 HB3 ALA 1 -0.186 2.056 0.970
8 H MET 2 HN MET 2 0.209 -0.049 -1.955
9 HA MET 2 HA MET 2 -0.893 2.016 -3.653
10 HB2 MET 2 HB2 MET 2 0.120 -0.045 -4.609
11 HB3 MET 2 HB1 MET 2 -1.136 -0.997 -3.834
12 HG2 MET 2 HG2 MET 2 -2.816 -0.069 -5.226
13 HG3 MET 2 HG1 MET 2 -1.712 1.160 -5.842
14 HE1 MET 2 HE1 MET 2 -0.862 -2.420 -5.034
15 HE2 MET 2 HE2 MET 2 -0.643 -3.225 -6.585
16 HE3 MET 2 HE3 MET 2 -2.267 -2.952 -5.956
17 H GLY 3 HN GLY 3 -2.689 -0.915 -2.940
18 HA2 GLY 3 HA2 GLY 3 -4.660 -1.208 -1.749
19 HA3 GLY 3 HA1 GLY 3 -4.396 0.350 -1.030
20 H LYS 4 HN LYS 4 -6.642 0.463 -1.196
21 HA LYS 4 HA LYS 4 -7.987 0.771 -3.710
22 HB2 LYS 4 HB2 LYS 4 -8.847 0.058 -1.360
23 HB3 LYS 4 HB1 LYS 4 -8.830 1.778 -1.002
24 HG2 LYS 4 HG2 LYS 4 -11.051 1.169 -1.612
25 HG3 LYS 4 HG1 LYS 4 -10.376 2.162 -2.904
26 HD2 LYS 4 HD2 LYS 4 -9.892 0.130 -4.205
27 HD3 LYS 4 HD1 LYS 4 -10.594 -0.849 -2.912
28 HE2 LYS 4 HE2 LYS 4 -12.000 1.170 -4.659
29 HE3 LYS 4 HE1 LYS 4 -12.248 -0.580 -4.616
30 HZ1 LYS 4 HZ1 LYS 4 -13.951 0.744 -3.391
31 HZ2 LYS 4 HZ2 LYS 4 -12.738 1.188 -2.294
32 HZ3 LYS 4 HZ3 LYS 4 -13.172 -0.439 -2.454
33 H CYS 5 HN CYS 5 -5.768 2.427 -2.118
34 HA CYS 5 HA CYS 5 -6.755 5.121 -2.562
35 HB2 CYS 5 HB2 CYS 5 -4.309 4.065 -1.146
36 HB3 CYS 5 HB1 CYS 5 -4.944 5.720 -1.042
37 H SER 6 HN SER 6 -6.434 5.315 -4.840
38 HA SER 6 HA SER 6 -3.926 4.742 -6.075
39 HB2 SER 6 HB2 SER 6 -4.875 5.980 -8.022
40 HB3 SER 6 HB1 SER 6 -5.932 4.698 -7.436
41 HG SER 6 HG SER 6 -6.998 6.732 -7.881
42 H VAL 7 HN VAL 7 -3.105 6.813 -7.511
43 HA VAL 7 HA VAL 7 -1.509 8.316 -5.872
44 HB VAL 7 HB VAL 7 -1.040 8.190 -8.194
45 HG11 VAL 7 HG11 VAL 7 -3.266 9.950 -9.045
46 HG12 VAL 7 HG12 VAL 7 -3.564 8.227 -8.798
47 HG13 VAL 7 HG13 VAL 7 -2.350 8.754 -9.965
48 HG21 VAL 7 HG21 VAL 7 -0.353 10.271 -6.982
49 HG22 VAL 7 HG22 VAL 7 -1.723 11.075 -7.754
50 HG23 VAL 7 HG23 VAL 7 -0.424 10.403 -8.740
51 H LEU 8 HN LEU 8 -4.377 9.651 -7.476
52 HA LEU 8 HA LEU 8 -4.364 12.023 -5.886
53 HB2 LEU 8 HB2 LEU 8 -6.401 12.640 -6.951
54 HB3 LEU 8 HB1 LEU 8 -5.381 11.883 -8.157
55 HG LEU 8 HG LEU 8 -7.591 10.380 -6.756
56 HD11 LEU 8 HD11 LEU 8 -8.788 10.815 -9.007
57 HD12 LEU 8 HD12 LEU 8 -7.709 12.206 -9.122
58 HD13 LEU 8 HD13 LEU 8 -8.820 12.063 -7.760
59 HD21 LEU 8 HD21 LEU 8 -5.859 9.893 -9.154
60 HD22 LEU 8 HD22 LEU 8 -7.456 9.150 -9.036
61 HD23 LEU 8 HD23 LEU 8 -6.232 8.817 -7.808
62 H LYS 9 HN LYS 9 -5.921 8.894 -5.512
63 HA LYS 9 HA LYS 9 -7.765 9.600 -3.552
64 HB2 LYS 9 HB2 LYS 9 -7.429 7.589 -5.183
65 HB3 LYS 9 HB1 LYS 9 -6.451 6.941 -3.877
66 HG2 LYS 9 HG2 LYS 9 -8.534 6.051 -3.627
67 HG3 LYS 9 HG1 LYS 9 -8.412 7.313 -2.414
68 HD2 LYS 9 HD2 LYS 9 -10.596 7.450 -3.416
69 HD3 LYS 9 HD1 LYS 9 -9.636 8.825 -3.974
70 HE2 LYS 9 HE2 LYS 9 -9.216 7.779 -6.080
71 HE3 LYS 9 HE1 LYS 9 -9.891 6.252 -5.522
72 HZ1 LYS 9 HZ1 LYS 9 -11.962 6.915 -5.982
73 HZ2 LYS 9 HZ2 LYS 9 -11.234 8.096 -6.957
74 HZ3 LYS 9 HZ3 LYS 9 -11.728 8.482 -5.382
75 H LYS 10 HN LYS 10 -4.340 9.143 -3.560
76 HA LYS 10 HA LYS 10 -4.024 8.372 -0.819
77 HB2 LYS 10 HB2 LYS 10 -2.156 9.365 -2.954
78 HB3 LYS 10 HB1 LYS 10 -1.613 9.286 -1.282
79 HG2 LYS 10 HG2 LYS 10 -2.382 6.826 -1.386
80 HG3 LYS 10 HG1 LYS 10 -2.372 7.065 -3.135
81 HD2 LYS 10 HD2 LYS 10 -0.051 7.360 -1.226
82 HD3 LYS 10 HD1 LYS 10 -0.248 6.171 -2.516
83 HE2 LYS 10 HE2 LYS 10 -0.023 7.843 -4.205
84 HE3 LYS 10 HE1 LYS 10 -0.083 9.144 -3.009
85 HZ1 LYS 10 HZ1 LYS 10 2.034 8.619 -2.237
86 HZ2 LYS 10 HZ2 LYS 10 2.185 8.442 -3.913
87 HZ3 LYS 10 HZ3 LYS 10 2.020 7.071 -2.925
88 H VAL 11 HN VAL 11 -4.602 11.295 -2.482
89 HA VAL 11 HA VAL 11 -3.572 13.006 -0.404
90 HB VAL 11 HB VAL 11 -4.185 13.310 -3.088
91 HG11 VAL 11 HG11 VAL 11 -6.291 14.713 -1.481
92 HG12 VAL 11 HG12 VAL 11 -6.492 13.634 -2.865
93 HG13 VAL 11 HG13 VAL 11 -5.805 15.245 -3.091
94 HG21 VAL 11 HG21 VAL 11 -2.692 14.584 -1.294
95 HG22 VAL 11 HG22 VAL 11 -3.960 15.788 -1.524
96 HG23 VAL 11 HG23 VAL 11 -3.026 15.214 -2.906
97 H ALA 12 HN ALA 12 -6.401 11.337 -1.270
98 HA ALA 12 HA ALA 12 -8.101 12.813 0.583
99 HB1 ALA 12 HB1 ALA 12 -8.559 11.185 -1.798
100 HB2 ALA 12 HB2 ALA 12 -9.490 12.529 -1.135
101 HB3 ALA 12 HB3 ALA 12 -9.716 10.903 -0.495
102 H CYS 13 HN CYS 13 -6.206 9.910 0.685
103 HA CYS 13 HA CYS 13 -8.009 8.447 2.377
104 HB2 CYS 13 HB2 CYS 13 -5.856 7.217 3.134
105 HB3 CYS 13 HB1 CYS 13 -6.466 6.967 1.486
106 H ALA 14 HN ALA 14 -5.412 10.726 2.925
107 HA ALA 14 HA ALA 14 -5.259 10.355 5.725
108 HB1 ALA 14 HB1 ALA 14 -4.278 12.703 5.682
109 HB2 ALA 14 HB2 ALA 14 -4.529 12.674 3.936
110 HB3 ALA 14 HB3 ALA 14 -3.454 11.497 4.691
111 H ALA 15 HN ALA 15 -7.408 12.062 3.625
112 HA ALA 15 HA ALA 15 -8.671 13.589 5.714
113 HB1 ALA 15 HB1 ALA 15 -9.817 13.129 2.977
114 HB2 ALA 15 HB2 ALA 15 -8.464 14.233 3.219
115 HB3 ALA 15 HB3 ALA 15 -10.002 14.532 4.032
116 H ALA 16 HN ALA 16 -9.007 10.562 4.077
117 HA ALA 16 HA ALA 16 -11.669 9.962 4.858
118 HB1 ALA 16 HB1 ALA 16 -9.631 7.843 4.312
119 HB2 ALA 16 HB2 ALA 16 -10.209 8.875 3.001
120 HB3 ALA 16 HB3 ALA 16 -11.349 7.875 3.905
121 H ILE 17 HN ILE 17 -8.507 8.735 6.058
122 HA ILE 17 HA ILE 17 -9.747 7.580 8.314
123 HB ILE 17 HB ILE 17 -7.839 6.448 7.952
124 HG12 ILE 17 HG12 ILE 17 -7.802 7.928 10.232
125 HG13 ILE 17 HG11 ILE 17 -6.716 6.591 9.875
126 HG21 ILE 17 HG21 ILE 17 -5.572 7.708 7.725
127 HG22 ILE 17 HG22 ILE 17 -6.626 8.919 6.952
128 HG23 ILE 17 HG23 ILE 17 -6.551 7.269 6.297
129 HD11 ILE 17 HD11 ILE 17 -6.157 9.495 9.340
130 HD12 ILE 17 HD12 ILE 17 -5.074 8.150 8.982
131 HD13 ILE 17 HD13 ILE 17 -5.488 8.530 10.655
132 H ALA 18 HN ALA 18 -8.711 10.752 7.603
133 HA ALA 18 HA ALA 18 -8.069 11.826 10.077
134 HB1 ALA 18 HB1 ALA 18 -9.840 13.577 8.576
135 HB2 ALA 18 HB2 ALA 18 -8.567 12.875 7.582
136 HB3 ALA 18 HB3 ALA 18 -8.145 13.791 9.025
137 H GLY 19 HN GLY 19 -11.254 11.055 8.750
138 HA2 GLY 19 HA2 GLY 19 -12.726 12.300 10.855
139 HA3 GLY 19 HA1 GLY 19 -13.354 11.123 9.710
140 H ALA 20 HN ALA 20 -11.109 9.258 10.559
141 HA ALA 20 HA ALA 20 -12.550 8.099 12.786
142 HB1 ALA 20 HB1 ALA 20 -10.908 6.205 12.424
143 HB2 ALA 20 HB2 ALA 20 -10.401 7.076 10.978
144 HB3 ALA 20 HB3 ALA 20 -12.067 6.519 11.135
145 H VAL 21 HN VAL 21 -9.319 9.361 12.075
146 HA VAL 21 HA VAL 21 -8.275 8.719 14.641
147 HB VAL 21 HB VAL 21 -6.540 10.361 14.230
148 HG11 VAL 21 HG11 VAL 21 -5.540 8.756 13.078
149 HG12 VAL 21 HG12 VAL 21 -6.320 9.349 11.613
150 HG13 VAL 21 HG13 VAL 21 -7.113 8.111 12.588
151 HG21 VAL 21 HG21 VAL 21 -6.434 11.802 12.398
152 HG22 VAL 21 HG22 VAL 21 -8.049 11.993 13.084
153 HG23 VAL 21 HG23 VAL 21 -7.818 11.038 11.615
154 H ALA 22 HN ALA 22 -9.968 11.392 13.236
155 HA ALA 22 HA ALA 22 -9.827 13.266 15.315
156 HB1 ALA 22 HB1 ALA 22 -11.136 14.479 13.965
157 HB2 ALA 22 HB2 ALA 22 -12.411 13.264 13.997
158 HB3 ALA 22 HB3 ALA 22 -11.088 13.118 12.841
159 H ALA 23 HN ALA 23 -11.593 10.314 14.951
160 HA ALA 23 HA ALA 23 -13.596 10.824 16.906
161 HB1 ALA 23 HB1 ALA 23 -13.183 8.855 15.038
162 HB2 ALA 23 HB2 ALA 23 -14.395 8.809 16.324
163 HB3 ALA 23 HB3 ALA 23 -12.832 8.022 16.557
164 H CYS 24 HN CYS 24 -10.309 9.510 16.971
165 HA CYS 24 HA CYS 24 -10.592 9.025 19.854
166 HB2 CYS 24 HB2 CYS 24 -9.269 7.632 17.827
167 HB3 CYS 24 HB1 CYS 24 -7.989 8.370 18.782
168 H GLY 25 HN GLY 25 -8.755 11.020 17.567
169 HA2 GLY 25 HA2 GLY 25 -8.210 13.269 18.424
170 HA3 GLY 25 HA1 GLY 25 -7.671 12.468 19.890
171 H GLY 26 HN GLY 26 -7.095 12.025 16.405
172 HA2 GLY 26 HA2 GLY 26 -4.931 12.619 15.445
173 HA3 GLY 26 HA1 GLY 26 -4.201 12.160 16.981
174 H ILE 27 HN ILE 27 -2.965 10.964 15.065
175 HA ILE 27 HA ILE 27 -4.151 8.640 13.945
176 HB ILE 27 HB ILE 27 -1.254 9.409 14.352
177 HG12 ILE 27 HG12 ILE 27 -2.794 10.612 12.698
178 HG13 ILE 27 HG11 ILE 27 -1.300 9.944 12.041
179 HG21 ILE 27 HG21 ILE 27 -2.343 7.044 12.810
180 HG22 ILE 27 HG22 ILE 27 -1.461 6.940 14.341
181 HG23 ILE 27 HG23 ILE 27 -0.655 7.555 12.895
182 HD11 ILE 27 HD11 ILE 27 -4.044 9.339 11.370
183 HD12 ILE 27 HD12 ILE 27 -3.146 7.879 11.801
184 HD13 ILE 27 HD13 ILE 27 -2.559 8.938 10.512
185 H ASP 28 HN ASP 28 -5.209 7.648 15.669
186 HA ASP 28 HA ASP 28 -3.497 6.126 17.533
187 HB2 ASP 28 HB2 ASP 28 -5.551 7.486 18.459
188 HB3 ASP 28 HB1 ASP 28 -6.519 6.254 17.673
189 H LEU 29 HN LEU 29 -2.881 4.959 15.668
190 HA LEU 29 HA LEU 29 -4.431 3.973 13.738
191 HB2 LEU 29 HB2 LEU 29 -2.082 4.054 13.646
192 HB3 LEU 29 HB1 LEU 29 -1.888 2.826 14.896
193 HG LEU 29 HG LEU 29 -3.003 2.342 12.120
194 HD11 LEU 29 HD11 LEU 29 -0.525 1.143 12.290
195 HD12 LEU 29 HD12 LEU 29 -0.271 2.694 13.089
196 HD13 LEU 29 HD13 LEU 29 -0.894 2.641 11.439
197 HD21 LEU 29 HD21 LEU 29 -3.181 0.180 12.642
198 HD22 LEU 29 HD22 LEU 29 -3.209 0.753 14.311
199 HD23 LEU 29 HD23 LEU 29 -1.698 0.193 13.594
200 HA PRO 30 HA PRO 30 -5.713 -0.005 16.099
201 HB2 PRO 30 HB2 PRO 30 -5.925 0.122 18.792
202 HB3 PRO 30 HB1 PRO 30 -4.452 -0.423 17.985
203 HG2 PRO 30 HG2 PRO 30 -5.068 2.224 19.216
204 HG3 PRO 30 HG1 PRO 30 -3.556 1.301 19.238
205 HD2 PRO 30 HD2 PRO 30 -4.041 3.435 17.578
206 HD3 PRO 30 HD1 PRO 30 -2.879 2.141 17.223
207 H CYS 31 HN CYS 31 -6.477 3.239 16.902
208 HA CYS 31 HA CYS 31 -9.179 2.657 17.786
209 HB2 CYS 31 HB2 CYS 31 -7.547 4.506 18.713
210 HB3 CYS 31 HB1 CYS 31 -8.135 5.417 17.336
211 H VAL 32 HN VAL 32 -7.607 4.596 15.218
212 HA VAL 32 HA VAL 32 -10.008 5.438 14.030
213 HB VAL 32 HB VAL 32 -8.710 6.645 12.642
214 HG11 VAL 32 HG11 VAL 32 -6.335 6.781 13.249
215 HG12 VAL 32 HG12 VAL 32 -6.553 5.360 14.270
216 HG13 VAL 32 HG13 VAL 32 -7.442 6.852 14.627
217 HG21 VAL 32 HG21 VAL 32 -7.141 4.201 11.903
218 HG22 VAL 32 HG22 VAL 32 -6.981 5.812 11.179
219 HG23 VAL 32 HG23 VAL 32 -8.493 4.909 11.000
220 H LEU 33 HN LEU 33 -8.257 2.412 13.594
221 HA LEU 33 HA LEU 33 -9.697 1.774 11.221
222 HB2 LEU 33 HB2 LEU 33 -7.396 0.872 12.362
223 HB3 LEU 33 HB1 LEU 33 -8.515 -0.452 12.672
224 HG LEU 33 HG LEU 33 -8.874 0.411 9.985
225 HD11 LEU 33 HD11 LEU 33 -6.771 0.137 9.016
226 HD12 LEU 33 HD12 LEU 33 -6.039 -0.414 10.530
227 HD13 LEU 33 HD13 LEU 33 -6.534 1.273 10.345
228 HD21 LEU 33 HD21 LEU 33 -9.164 -1.815 11.289
229 HD22 LEU 33 HD22 LEU 33 -7.505 -2.097 10.772
230 HD23 LEU 33 HD23 LEU 33 -8.766 -1.832 9.569
231 H ALA 34 HN ALA 34 -11.270 2.423 13.594
232 HA ALA 34 HA ALA 34 -12.781 -0.092 13.849
233 HB1 ALA 34 HB1 ALA 34 -12.378 0.528 16.059
234 HB2 ALA 34 HB2 ALA 34 -13.934 1.309 15.755
235 HB3 ALA 34 HB3 ALA 34 -12.439 2.252 15.695
236 H ALA 35 HN ALA 35 -12.766 3.300 13.121
237 HA ALA 35 HA ALA 35 -15.488 3.173 12.028
238 HB1 ALA 35 HB1 ALA 35 -14.256 5.777 11.909
239 HB2 ALA 35 HB2 ALA 35 -14.196 5.127 13.547
240 HB3 ALA 35 HB3 ALA 35 -15.745 5.277 12.715
241 H LEU 36 HN LEU 36 -12.118 3.972 11.273
242 HA LEU 36 HA LEU 36 -12.604 4.667 8.559
243 HB2 LEU 36 HB2 LEU 36 -10.572 5.461 9.515
244 HB3 LEU 36 HB1 LEU 36 -10.102 3.843 10.028
245 HG LEU 36 HG LEU 36 -10.146 3.251 7.538
246 HD11 LEU 36 HD11 LEU 36 -9.412 5.662 6.472
247 HD12 LEU 36 HD12 LEU 36 -10.809 6.033 7.481
248 HD13 LEU 36 HD13 LEU 36 -10.931 4.786 6.229
249 HD21 LEU 36 HD21 LEU 36 -8.065 3.431 8.770
250 HD22 LEU 36 HD22 LEU 36 -8.024 5.171 8.445
251 HD23 LEU 36 HD23 LEU 36 -7.936 4.010 7.103
252 H LYS 37 HN LYS 37 -12.331 1.681 10.257
253 HA LYS 37 HA LYS 37 -11.325 0.224 8.065
254 HB2 LYS 37 HB2 LYS 37 -11.594 -0.476 10.609
255 HB3 LYS 37 HB1 LYS 37 -13.164 -1.060 10.082
256 HG2 LYS 37 HG2 LYS 37 -10.718 -1.905 8.603
257 HG3 LYS 37 HG1 LYS 37 -11.131 -2.665 10.142
258 HD2 LYS 37 HD2 LYS 37 -13.301 -3.312 9.268
259 HD3 LYS 37 HD1 LYS 37 -12.958 -2.481 7.747
260 HE2 LYS 37 HE2 LYS 37 -12.637 -4.956 7.665
261 HE3 LYS 37 HE1 LYS 37 -11.212 -4.023 7.213
262 HZ1 LYS 37 HZ1 LYS 37 -10.069 -5.087 8.768
263 HZ2 LYS 37 HZ2 LYS 37 -11.444 -5.978 9.206
264 HZ3 LYS 37 HZ3 LYS 37 -11.106 -4.511 9.983
265 H ALA 38 HN ALA 38 -14.366 1.533 8.874
266 HA ALA 38 HA ALA 38 -15.804 -0.034 6.867
267 HB1 ALA 38 HB1 ALA 38 -17.483 0.188 8.313
268 HB2 ALA 38 HB2 ALA 38 -17.505 1.914 7.956
269 HB3 ALA 38 HB3 ALA 38 -16.542 1.308 9.302
270 H ALA 39 HN ALA 39 -13.707 2.245 6.589
271 HA ALA 39 HA ALA 39 -15.093 4.373 5.255
272 HB1 ALA 39 HB1 ALA 39 -12.755 5.036 4.528
273 HB2 ALA 39 HB2 ALA 39 -12.148 3.629 5.417
274 HB3 ALA 39 HB3 ALA 39 -12.992 4.923 6.274
275 H GLU 40 HN GLU 40 -13.545 4.749 2.955
276 HA GLU 40 HA GLU 40 -14.771 2.786 1.210
277 HB2 GLU 40 HB2 GLU 40 -14.627 5.318 0.776
278 HB3 GLU 40 HB1 GLU 40 -12.946 5.028 0.352
279 HG2 GLU 40 HG2 GLU 40 -14.277 5.085 -1.645
280 HG3 GLU 40 HG1 GLU 40 -13.678 3.448 -1.380
281 H GLY 41 HN GLY 41 -12.903 1.691 2.910
282 HA2 GLY 41 HA2 GLY 41 -11.093 0.292 2.983
283 HA3 GLY 41 HA1 GLY 41 -11.322 0.122 1.250
284 H CYS 42 HN CYS 42 -10.367 3.034 3.130
285 HA CYS 42 HA CYS 42 -7.914 2.954 1.513
286 HB2 CYS 42 HB2 CYS 42 -9.830 4.982 1.591
287 HB3 CYS 42 HB1 CYS 42 -8.518 5.568 2.589
288 H ALA 43 HN ALA 43 -8.733 1.860 4.155
289 HA ALA 43 HA ALA 43 -7.239 3.217 6.177
290 HB1 ALA 43 HB1 ALA 43 -8.042 0.310 6.050
291 HB2 ALA 43 HB2 ALA 43 -9.090 1.606 6.636
292 HB3 ALA 43 HB3 ALA 43 -7.589 1.225 7.490
293 H SER 44 HN SER 44 -6.694 1.044 3.628
294 HA SER 44 HA SER 44 -4.257 -0.134 4.325
295 HB2 SER 44 HB2 SER 44 -4.783 0.484 1.469
296 HB3 SER 44 HB1 SER 44 -4.456 -1.066 2.265
297 HG SER 44 HG SER 44 -6.517 -1.388 2.074
298 H CYS 45 HN CYS 45 -5.126 3.028 3.296
299 HA CYS 45 HA CYS 45 -2.445 3.849 2.502
300 HB2 CYS 45 HB2 CYS 45 -4.405 4.899 1.411
301 HB3 CYS 45 HB1 CYS 45 -4.944 5.506 2.980
302 H PHE 46 HN PHE 46 -4.739 4.321 5.104
303 HA PHE 46 HA PHE 46 -3.443 6.098 6.743
304 HB2 PHE 46 HB2 PHE 46 -5.578 5.573 7.416
305 HB3 PHE 46 HB1 PHE 46 -5.365 3.857 7.125
306 HD1 PHE 46 HD1 PHE 46 -4.695 6.593 9.622
307 HD2 PHE 46 HD2 PHE 46 -4.785 2.411 8.839
308 HE1 PHE 46 HE1 PHE 46 -4.556 6.185 11.895
309 HE2 PHE 46 HE2 PHE 46 -4.646 1.991 11.217
310 HZ PHE 46 HZ PHE 46 -4.540 3.858 12.785
311 H CYS 47 HN CYS 47 -3.243 2.497 7.142
312 HA CYS 47 HA CYS 47 -0.813 2.936 8.673
313 HB2 CYS 47 HB2 CYS 47 -2.278 1.127 9.379
314 HB3 CYS 47 HB1 CYS 47 -2.068 0.331 7.819
315 H GLU 48 HN GLU 48 0.182 4.035 6.722
316 HA GLU 48 HA GLU 48 1.442 2.043 4.948
317 HB2 GLU 48 HB2 GLU 48 0.184 3.949 3.846
318 HB3 GLU 48 HB1 GLU 48 1.371 5.044 4.538
319 HG2 GLU 48 HG2 GLU 48 3.128 3.653 3.344
320 HG3 GLU 48 HG1 GLU 48 1.788 2.922 2.462
321 H ASP 49 HN ASP 49 2.219 5.224 6.295
322 HA ASP 49 HA ASP 49 5.013 4.743 6.467
323 HB2 ASP 49 HB2 ASP 49 4.110 7.004 6.268
324 HB3 ASP 49 HB1 ASP 49 3.262 6.825 7.800
325 H HIS 50 HN HIS 50 2.334 4.508 8.707
326 HA HIS 50 HA HIS 50 4.113 3.688 10.859
327 HB2 HIS 50 HB2 HIS 50 1.632 3.502 11.971
328 HB3 HIS 50 HB1 HIS 50 2.655 4.922 12.045
329 HD1 HIS 50 HD1 HIS 50 -0.547 4.796 12.123
330 HD2 HIS 50 HD2 HIS 50 1.812 5.951 8.905
331 HE1 HIS 50 HE1 HIS 50 -1.981 6.344 10.758
332 HE2 HIS 50 HE2 HIS 50 -0.591 6.919 8.738
333 H CYS 51 HN CYS 51 4.189 1.901 8.892
334 HA CYS 51 HA CYS 51 2.301 -0.243 9.242
335 HB2 CYS 51 HB2 CYS 51 3.367 -0.023 7.089
336 HB3 CYS 51 HB1 CYS 51 4.967 -0.090 7.814
337 H HIS 52 HN HIS 52 2.545 -0.292 11.616
338 HA HIS 52 HA HIS 52 4.101 -2.472 12.498
339 HB2 HIS 52 HB2 HIS 52 5.563 -1.180 14.085
340 HB3 HIS 52 HB1 HIS 52 5.962 -0.968 12.384
341 HD1 HIS 52 HD1 HIS 52 3.321 0.903 14.384
342 HD2 HIS 52 HD2 HIS 52 6.865 1.597 12.320
343 HE1 HIS 52 HE1 HIS 52 3.584 3.399 14.333
344 HE2 HIS 52 HE2 HIS 52 5.818 3.795 13.206
345 H GLY 53 HN GLY 53 4.339 -2.055 15.132
346 HA2 GLY 53 HA2 GLY 53 3.232 -1.969 17.124
347 HA3 GLY 53 HA1 GLY 53 2.322 -0.634 16.444
348 H VAL 54 HN VAL 54 0.214 -0.895 16.238
349 HA VAL 54 HA VAL 54 -0.890 -3.523 16.744
350 HB VAL 54 HB VAL 54 -1.553 -1.358 17.976
351 HG11 VAL 54 HG11 VAL 54 -2.636 0.282 16.908
352 HG12 VAL 54 HG12 VAL 54 -3.640 -0.874 16.010
353 HG13 VAL 54 HG13 VAL 54 -2.017 -0.481 15.437
354 HG21 VAL 54 HG21 VAL 54 -2.860 -3.699 17.609
355 HG22 VAL 54 HG22 VAL 54 -4.052 -2.547 17.007
356 HG23 VAL 54 HG23 VAL 54 -3.430 -2.393 18.649
357 H CYS 55 HN CYS 55 0.002 -1.822 14.073
358 HA CYS 55 HA CYS 55 -2.247 -2.079 12.346
359 HB2 CYS 55 HB2 CYS 55 -0.145 -0.746 11.889
360 HB3 CYS 55 HB1 CYS 55 0.672 -2.272 11.555
361 H LYS 56 HN LYS 56 -0.075 -4.265 13.746
362 HA LYS 56 HA LYS 56 -0.329 -6.421 11.864
363 HB2 LYS 56 HB2 LYS 56 1.577 -6.091 13.502
364 HB3 LYS 56 HB1 LYS 56 0.460 -6.513 14.791
365 HG2 LYS 56 HG2 LYS 56 0.120 -8.719 13.598
366 HG3 LYS 56 HG1 LYS 56 1.494 -8.269 12.585
367 HD2 LYS 56 HD2 LYS 56 1.501 -8.574 15.590
368 HD3 LYS 56 HD1 LYS 56 2.225 -9.676 14.420
369 HE2 LYS 56 HE2 LYS 56 3.785 -7.937 13.715
370 HE3 LYS 56 HE1 LYS 56 3.040 -6.800 14.841
371 HZ1 LYS 56 HZ1 LYS 56 5.136 -8.531 15.346
372 HZ2 LYS 56 HZ2 LYS 56 3.817 -9.172 16.197
373 HZ3 LYS 56 HZ3 LYS 56 4.310 -7.572 16.474
374 H ASP 57 HN ASP 57 -2.006 -5.159 14.619
375 HA ASP 57 HA ASP 57 -3.631 -7.477 15.099
376 HB2 ASP 57 HB2 ASP 57 -2.966 -5.518 16.736
377 HB3 ASP 57 HB1 ASP 57 -4.391 -4.750 16.050
378 H LEU 58 HN LEU 58 -4.396 -4.163 13.843
379 HA LEU 58 HA LEU 58 -7.002 -5.002 13.188
380 HB2 LEU 58 HB2 LEU 58 -7.189 -2.880 11.846
381 HB3 LEU 58 HB1 LEU 58 -6.928 -2.759 13.565
382 HG LEU 58 HG LEU 58 -5.777 -1.084 12.003
383 HD11 LEU 58 HD11 LEU 58 -3.612 -1.838 13.648
384 HD12 LEU 58 HD12 LEU 58 -5.117 -2.207 14.496
385 HD13 LEU 58 HD13 LEU 58 -4.826 -0.568 13.890
386 HD21 LEU 58 HD21 LEU 58 -3.979 -3.467 11.645
387 HD22 LEU 58 HD22 LEU 58 -3.470 -1.797 11.375
388 HD23 LEU 58 HD23 LEU 58 -4.763 -2.500 10.397
389 H HIS 59 HN HIS 59 -4.051 -5.236 11.449
390 HA HIS 59 HA HIS 59 -3.513 -6.643 9.759
391 HB2 HIS 59 HB2 HIS 59 -6.333 -7.249 10.056
392 HB3 HIS 59 HB1 HIS 59 -5.795 -7.385 8.386
393 HD1 HIS 59 HD1 HIS 59 -4.136 -8.413 11.667
394 HD2 HIS 59 HD2 HIS 59 -5.249 -9.984 7.979
395 HE1 HIS 59 HE1 HIS 59 -3.337 -10.801 11.678
396 HE2 HIS 59 HE2 HIS 59 -4.176 -11.774 9.502
397 H LEU 60 HN LEU 60 -2.612 -4.736 8.814
398 HA LEU 60 HA LEU 60 -3.957 -4.069 6.288
399 HB2 LEU 60 HB2 LEU 60 -2.366 -2.148 7.983
400 HB3 LEU 60 HB1 LEU 60 -3.022 -1.803 6.397
401 HG LEU 60 HG LEU 60 -4.507 -2.189 8.970
402 HD11 LEU 60 HD11 LEU 60 -4.580 -0.022 9.024
403 HD12 LEU 60 HD12 LEU 60 -5.229 0.056 7.383
404 HD13 LEU 60 HD13 LEU 60 -3.485 0.012 7.646
405 HD21 LEU 60 HD21 LEU 60 -6.532 -1.733 7.457
406 HD22 LEU 60 HD22 LEU 60 -5.876 -3.374 7.535
407 HD23 LEU 60 HD23 LEU 60 -5.500 -2.328 6.143
408 H CYS 61 HN CYS 61 -0.905 -3.123 7.756
409 HA CYS 61 HA CYS 61 0.523 -4.304 5.478
410 HB2 CYS 61 HB2 CYS 61 0.746 -1.898 5.593
411 HB3 CYS 61 HB1 CYS 61 1.201 -1.978 7.288
Start of MODEL 16
1 H1 ALA 1 HT1 ALA 1 2.629 4.686 -5.813
2 H2 ALA 1 HT2 ALA 1 1.406 4.500 -7.004
3 H3 ALA 1 HT3 ALA 1 2.035 3.118 -6.192
4 HA ALA 1 HA ALA 1 1.066 3.701 -4.201
5 HB1 ALA 1 HB1 ALA 1 1.075 5.867 -3.671
6 HB2 ALA 1 HB2 ALA 1 -0.429 5.986 -4.587
7 HB3 ALA 1 HB3 ALA 1 1.111 6.367 -5.364
8 H MET 2 HN MET 2 0.130 1.877 -5.546
9 HA MET 2 HA MET 2 -2.504 2.565 -6.602
10 HB2 MET 2 HB2 MET 2 -1.072 -0.084 -6.810
11 HB3 MET 2 HB1 MET 2 -2.500 0.425 -7.703
12 HG2 MET 2 HG2 MET 2 0.287 1.525 -7.976
13 HG3 MET 2 HG1 MET 2 -0.579 0.520 -9.138
14 HE1 MET 2 HE1 MET 2 0.540 2.294 -10.527
15 HE2 MET 2 HE2 MET 2 0.645 3.900 -9.806
16 HE3 MET 2 HE3 MET 2 -0.418 3.619 -11.185
17 H GLY 3 HN GLY 3 -4.330 1.140 -5.982
18 HA2 GLY 3 HA2 GLY 3 -4.714 -0.717 -4.161
19 HA3 GLY 3 HA1 GLY 3 -4.093 0.530 -3.130
20 H LYS 4 HN LYS 4 -6.184 0.125 -2.121
21 HA LYS 4 HA LYS 4 -8.638 0.987 -3.248
22 HB2 LYS 4 HB2 LYS 4 -8.249 -0.275 -1.035
23 HB3 LYS 4 HB1 LYS 4 -7.683 1.242 -0.389
24 HG2 LYS 4 HG2 LYS 4 -9.864 1.186 0.362
25 HG3 LYS 4 HG1 LYS 4 -9.989 2.171 -1.093
26 HD2 LYS 4 HD2 LYS 4 -10.414 -0.783 -1.276
27 HD3 LYS 4 HD1 LYS 4 -11.698 0.247 -0.648
28 HE2 LYS 4 HE2 LYS 4 -10.351 0.527 -3.329
29 HE3 LYS 4 HE1 LYS 4 -11.963 -0.133 -3.044
30 HZ1 LYS 4 HZ1 LYS 4 -12.352 2.065 -3.657
31 HZ2 LYS 4 HZ2 LYS 4 -11.037 2.660 -2.765
32 HZ3 LYS 4 HZ3 LYS 4 -12.432 2.122 -1.961
33 H CYS 5 HN CYS 5 -5.820 2.305 -2.028
34 HA CYS 5 HA CYS 5 -6.686 5.103 -2.050
35 HB2 CYS 5 HB2 CYS 5 -4.243 3.702 -0.984
36 HB3 CYS 5 HB1 CYS 5 -4.641 5.413 -0.721
37 H SER 6 HN SER 6 -6.517 4.851 -4.553
38 HA SER 6 HA SER 6 -3.983 4.359 -5.725
39 HB2 SER 6 HB2 SER 6 -5.019 5.481 -7.759
40 HB3 SER 6 HB1 SER 6 -5.873 4.070 -7.139
41 HG SER 6 HG SER 6 -7.408 5.600 -7.455
42 H VAL 7 HN VAL 7 -3.300 6.345 -7.382
43 HA VAL 7 HA VAL 7 -1.751 8.049 -5.907
44 HB VAL 7 HB VAL 7 -1.334 7.787 -8.222
45 HG11 VAL 7 HG11 VAL 7 -2.735 8.311 -10.008
46 HG12 VAL 7 HG12 VAL 7 -3.817 9.256 -8.985
47 HG13 VAL 7 HG13 VAL 7 -3.767 7.498 -8.829
48 HG21 VAL 7 HG21 VAL 7 -1.232 10.155 -9.043
49 HG22 VAL 7 HG22 VAL 7 -0.525 9.874 -7.453
50 HG23 VAL 7 HG23 VAL 7 -2.121 10.609 -7.592
51 H LEU 8 HN LEU 8 -4.786 9.001 -7.468
52 HA LEU 8 HA LEU 8 -4.891 11.511 -6.108
53 HB2 LEU 8 HB2 LEU 8 -7.051 11.826 -7.127
54 HB3 LEU 8 HB1 LEU 8 -5.925 11.182 -8.306
55 HG LEU 8 HG LEU 8 -7.788 9.333 -6.856
56 HD11 LEU 8 HD11 LEU 8 -8.501 11.387 -8.824
57 HD12 LEU 8 HD12 LEU 8 -9.516 10.504 -7.685
58 HD13 LEU 8 HD13 LEU 8 -9.051 9.758 -9.214
59 HD21 LEU 8 HD21 LEU 8 -7.113 7.815 -8.347
60 HD22 LEU 8 HD22 LEU 8 -5.779 8.920 -8.669
61 HD23 LEU 8 HD23 LEU 8 -7.212 8.951 -9.694
62 H LYS 9 HN LYS 9 -5.993 8.319 -5.285
63 HA LYS 9 HA LYS 9 -7.900 9.228 -3.330
64 HB2 LYS 9 HB2 LYS 9 -6.696 6.530 -3.918
65 HB3 LYS 9 HB1 LYS 9 -7.850 6.810 -2.632
66 HG2 LYS 9 HG2 LYS 9 -8.332 7.232 -5.567
67 HG3 LYS 9 HG1 LYS 9 -8.943 5.898 -4.586
68 HD2 LYS 9 HD2 LYS 9 -10.012 7.750 -3.132
69 HD3 LYS 9 HD1 LYS 9 -9.722 8.797 -4.524
70 HE2 LYS 9 HE2 LYS 9 -11.963 7.909 -4.640
71 HE3 LYS 9 HE1 LYS 9 -10.986 7.213 -5.934
72 HZ1 LYS 9 HZ1 LYS 9 -10.966 5.158 -4.932
73 HZ2 LYS 9 HZ2 LYS 9 -12.502 5.704 -4.466
74 HZ3 LYS 9 HZ3 LYS 9 -11.207 5.778 -3.371
75 H LYS 10 HN LYS 10 -4.506 8.594 -3.465
76 HA LYS 10 HA LYS 10 -4.111 8.134 -0.673
77 HB2 LYS 10 HB2 LYS 10 -2.471 7.419 -2.422
78 HB3 LYS 10 HB1 LYS 10 -2.080 9.116 -2.700
79 HG2 LYS 10 HG2 LYS 10 -1.243 9.356 -0.464
80 HG3 LYS 10 HG1 LYS 10 -1.805 7.741 -0.038
81 HD2 LYS 10 HD2 LYS 10 -0.226 6.795 -1.679
82 HD3 LYS 10 HD1 LYS 10 0.366 8.428 -2.009
83 HE2 LYS 10 HE2 LYS 10 1.047 8.676 0.322
84 HE3 LYS 10 HE1 LYS 10 0.413 7.074 0.693
85 HZ1 LYS 10 HZ1 LYS 10 2.891 7.841 -0.611
86 HZ2 LYS 10 HZ2 LYS 10 2.101 6.504 -1.285
87 HZ3 LYS 10 HZ3 LYS 10 2.536 6.486 0.352
88 H VAL 11 HN VAL 11 -4.580 10.867 -2.649
89 HA VAL 11 HA VAL 11 -3.454 12.809 -0.855
90 HB VAL 11 HB VAL 11 -4.253 12.818 -3.500
91 HG11 VAL 11 HG11 VAL 11 -6.298 14.389 -1.945
92 HG12 VAL 11 HG12 VAL 11 -6.586 13.044 -3.046
93 HG13 VAL 11 HG13 VAL 11 -5.999 14.587 -3.673
94 HG21 VAL 11 HG21 VAL 11 -3.646 15.067 -1.609
95 HG22 VAL 11 HG22 VAL 11 -3.849 15.316 -3.345
96 HG23 VAL 11 HG23 VAL 11 -2.565 14.263 -2.750
97 H ALA 12 HN ALA 12 -6.371 11.090 -1.296
98 HA ALA 12 HA ALA 12 -7.887 12.781 0.532
99 HB1 ALA 12 HB1 ALA 12 -9.590 10.784 -0.188
100 HB2 ALA 12 HB2 ALA 12 -8.553 10.926 -1.608
101 HB3 ALA 12 HB3 ALA 12 -9.423 12.337 -1.007
102 H CYS 13 HN CYS 13 -6.097 9.789 0.745
103 HA CYS 13 HA CYS 13 -7.735 8.535 2.701
104 HB2 CYS 13 HB2 CYS 13 -5.650 7.355 3.478
105 HB3 CYS 13 HB1 CYS 13 -6.069 7.108 1.766
106 H ALA 14 HN ALA 14 -5.224 10.941 2.871
107 HA ALA 14 HA ALA 14 -4.798 10.873 5.643
108 HB1 ALA 14 HB1 ALA 14 -3.647 12.207 3.597
109 HB2 ALA 14 HB2 ALA 14 -3.435 12.656 5.290
110 HB3 ALA 14 HB3 ALA 14 -4.620 13.502 4.295
111 H ALA 15 HN ALA 15 -7.304 12.220 3.684
112 HA ALA 15 HA ALA 15 -8.458 13.723 5.883
113 HB1 ALA 15 HB1 ALA 15 -10.256 13.755 3.775
114 HB2 ALA 15 HB2 ALA 15 -8.672 13.765 2.997
115 HB3 ALA 15 HB3 ALA 15 -9.086 15.010 4.177
116 H ALA 16 HN ALA 16 -8.893 10.789 4.044
117 HA ALA 16 HA ALA 16 -11.490 10.090 4.916
118 HB1 ALA 16 HB1 ALA 16 -10.923 8.800 3.124
119 HB2 ALA 16 HB2 ALA 16 -10.487 7.682 4.415
120 HB3 ALA 16 HB3 ALA 16 -9.238 8.647 3.625
121 H ILE 17 HN ILE 17 -8.275 9.018 6.051
122 HA ILE 17 HA ILE 17 -9.484 7.725 8.283
123 HB ILE 17 HB ILE 17 -7.462 6.760 7.390
124 HG12 ILE 17 HG12 ILE 17 -8.080 6.910 9.931
125 HG13 ILE 17 HG11 ILE 17 -6.591 6.160 9.386
126 HG21 ILE 17 HG21 ILE 17 -6.300 9.414 7.679
127 HG22 ILE 17 HG22 ILE 17 -5.822 8.059 6.624
128 HG23 ILE 17 HG23 ILE 17 -5.317 8.093 8.359
129 HD11 ILE 17 HD11 ILE 17 -5.306 8.034 9.960
130 HD12 ILE 17 HD12 ILE 17 -6.379 7.726 11.324
131 HD13 ILE 17 HD13 ILE 17 -6.744 9.027 10.192
132 H ALA 18 HN ALA 18 -8.252 10.869 7.657
133 HA ALA 18 HA ALA 18 -7.618 11.841 10.163
134 HB1 ALA 18 HB1 ALA 18 -7.695 13.063 7.852
135 HB2 ALA 18 HB2 ALA 18 -7.876 13.973 9.350
136 HB3 ALA 18 HB3 ALA 18 -9.299 13.556 8.398
137 H GLY 19 HN GLY 19 -10.828 11.419 8.729
138 HA2 GLY 19 HA2 GLY 19 -12.260 12.642 10.852
139 HA3 GLY 19 HA1 GLY 19 -12.932 11.535 9.664
140 H ALA 20 HN ALA 20 -10.790 9.539 10.518
141 HA ALA 20 HA ALA 20 -12.362 8.290 12.585
142 HB1 ALA 20 HB1 ALA 20 -11.491 7.005 10.668
143 HB2 ALA 20 HB2 ALA 20 -10.966 6.359 12.222
144 HB3 ALA 20 HB3 ALA 20 -9.853 7.315 11.244
145 H VAL 21 HN VAL 21 -9.094 9.620 12.236
146 HA VAL 21 HA VAL 21 -8.339 8.910 14.900
147 HB VAL 21 HB VAL 21 -6.529 10.475 14.732
148 HG11 VAL 21 HG11 VAL 21 -5.714 9.633 12.300
149 HG12 VAL 21 HG12 VAL 21 -7.004 8.470 12.641
150 HG13 VAL 21 HG13 VAL 21 -5.656 8.652 13.770
151 HG21 VAL 21 HG21 VAL 21 -8.047 11.571 12.468
152 HG22 VAL 21 HG22 VAL 21 -6.283 11.605 12.374
153 HG23 VAL 21 HG23 VAL 21 -7.118 12.376 13.731
154 H ALA 22 HN ALA 22 -9.753 11.667 13.331
155 HA ALA 22 HA ALA 22 -9.867 13.462 15.491
156 HB1 ALA 22 HB1 ALA 22 -12.187 13.674 13.784
157 HB2 ALA 22 HB2 ALA 22 -10.728 13.427 12.825
158 HB3 ALA 22 HB3 ALA 22 -10.823 14.781 13.955
159 H ALA 23 HN ALA 23 -11.627 10.597 14.711
160 HA ALA 23 HA ALA 23 -13.882 11.142 16.396
161 HB1 ALA 23 HB1 ALA 23 -14.203 9.681 14.510
162 HB2 ALA 23 HB2 ALA 23 -14.439 8.750 15.988
163 HB3 ALA 23 HB3 ALA 23 -12.935 8.596 15.077
164 H CYS 24 HN CYS 24 -10.738 9.587 16.731
165 HA CYS 24 HA CYS 24 -11.481 8.697 19.426
166 HB2 CYS 24 HB2 CYS 24 -10.315 7.169 17.748
167 HB3 CYS 24 HB1 CYS 24 -8.871 8.136 18.033
168 H GLY 25 HN GLY 25 -8.967 10.679 17.793
169 HA2 GLY 25 HA2 GLY 25 -8.636 12.828 19.138
170 HA3 GLY 25 HA1 GLY 25 -8.228 11.723 20.438
171 H GLY 26 HN GLY 26 -7.369 11.603 16.988
172 HA2 GLY 26 HA2 GLY 26 -5.141 12.378 16.272
173 HA3 GLY 26 HA1 GLY 26 -4.532 11.785 17.812
174 H ILE 27 HN ILE 27 -3.094 10.801 15.934
175 HA ILE 27 HA ILE 27 -4.113 8.563 14.500
176 HB ILE 27 HB ILE 27 -1.275 9.432 15.105
177 HG12 ILE 27 HG12 ILE 27 -2.801 10.722 13.528
178 HG13 ILE 27 HG11 ILE 27 -1.279 10.156 12.840
179 HG21 ILE 27 HG21 ILE 27 -0.382 7.618 14.085
180 HG22 ILE 27 HG22 ILE 27 -1.725 7.475 12.945
181 HG23 ILE 27 HG23 ILE 27 -1.882 6.833 14.582
182 HD11 ILE 27 HD11 ILE 27 -2.354 9.020 11.275
183 HD12 ILE 27 HD12 ILE 27 -3.871 9.701 11.867
184 HD13 ILE 27 HD13 ILE 27 -3.294 8.144 12.491
185 H ASP 28 HN ASP 28 -5.247 7.733 16.486
186 HA ASP 28 HA ASP 28 -3.603 5.939 18.132
187 HB2 ASP 28 HB2 ASP 28 -5.664 7.293 19.031
188 HB3 ASP 28 HB1 ASP 28 -6.626 6.134 18.137
189 H LEU 29 HN LEU 29 -2.895 4.787 16.357
190 HA LEU 29 HA LEU 29 -4.316 4.050 14.203
191 HB2 LEU 29 HB2 LEU 29 -2.117 3.953 13.929
192 HB3 LEU 29 HB1 LEU 29 -1.792 3.201 15.487
193 HG LEU 29 HG LEU 29 -3.063 1.412 13.529
194 HD11 LEU 29 HD11 LEU 29 -1.826 2.167 11.780
195 HD12 LEU 29 HD12 LEU 29 -0.465 1.413 12.622
196 HD13 LEU 29 HD13 LEU 29 -0.782 3.134 12.823
197 HD21 LEU 29 HD21 LEU 29 -1.199 -0.007 14.249
198 HD22 LEU 29 HD22 LEU 29 -2.075 0.661 15.629
199 HD23 LEU 29 HD23 LEU 29 -0.524 1.350 15.152
200 HA PRO 30 HA PRO 30 -5.869 -0.056 16.166
201 HB2 PRO 30 HB2 PRO 30 -6.131 -0.191 18.843
202 HB3 PRO 30 HB1 PRO 30 -4.656 -0.703 18.018
203 HG2 PRO 30 HG2 PRO 30 -5.214 1.815 19.512
204 HG3 PRO 30 HG1 PRO 30 -3.730 0.852 19.451
205 HD2 PRO 30 HD2 PRO 30 -4.143 3.167 18.019
206 HD3 PRO 30 HD1 PRO 30 -2.986 1.900 17.570
207 H CYS 31 HN CYS 31 -6.580 3.138 16.903
208 HA CYS 31 HA CYS 31 -9.298 2.560 17.810
209 HB2 CYS 31 HB2 CYS 31 -7.585 4.254 18.916
210 HB3 CYS 31 HB1 CYS 31 -8.184 5.318 17.663
211 H VAL 32 HN VAL 32 -7.568 4.597 15.410
212 HA VAL 32 HA VAL 32 -9.913 5.641 14.218
213 HB VAL 32 HB VAL 32 -8.546 6.819 12.859
214 HG11 VAL 32 HG11 VAL 32 -7.424 7.093 14.867
215 HG12 VAL 32 HG12 VAL 32 -6.178 6.853 13.633
216 HG13 VAL 32 HG13 VAL 32 -6.611 5.531 14.716
217 HG21 VAL 32 HG21 VAL 32 -6.747 5.969 11.515
218 HG22 VAL 32 HG22 VAL 32 -8.250 5.070 11.248
219 HG23 VAL 32 HG23 VAL 32 -6.954 4.361 12.233
220 H LEU 33 HN LEU 33 -8.400 2.557 13.879
221 HA LEU 33 HA LEU 33 -9.510 1.943 11.339
222 HB2 LEU 33 HB2 LEU 33 -7.618 0.814 12.930
223 HB3 LEU 33 HB1 LEU 33 -8.968 -0.290 13.150
224 HG LEU 33 HG LEU 33 -9.049 -0.123 10.498
225 HD11 LEU 33 HD11 LEU 33 -6.900 1.443 10.862
226 HD12 LEU 33 HD12 LEU 33 -7.143 0.447 9.431
227 HD13 LEU 33 HD13 LEU 33 -6.097 -0.131 10.746
228 HD21 LEU 33 HD21 LEU 33 -8.729 -2.271 10.885
229 HD22 LEU 33 HD22 LEU 33 -7.994 -1.900 12.448
230 HD23 LEU 33 HD23 LEU 33 -6.996 -1.964 10.995
231 H ALA 34 HN ALA 34 -11.241 2.833 13.732
232 HA ALA 34 HA ALA 34 -13.171 0.618 13.687
233 HB1 ALA 34 HB1 ALA 34 -12.430 2.609 15.677
234 HB2 ALA 34 HB2 ALA 34 -13.319 1.094 15.868
235 HB3 ALA 34 HB3 ALA 34 -14.171 2.563 15.389
236 H ALA 35 HN ALA 35 -12.884 4.117 13.351
237 HA ALA 35 HA ALA 35 -15.454 4.322 12.015
238 HB1 ALA 35 HB1 ALA 35 -14.661 6.055 13.625
239 HB2 ALA 35 HB2 ALA 35 -15.097 6.689 12.039
240 HB3 ALA 35 HB3 ALA 35 -13.401 6.481 12.464
241 H LEU 36 HN LEU 36 -12.011 4.465 11.280
242 HA LEU 36 HA LEU 36 -12.330 5.288 8.561
243 HB2 LEU 36 HB2 LEU 36 -10.198 5.699 9.526
244 HB3 LEU 36 HB1 LEU 36 -10.051 4.038 10.086
245 HG LEU 36 HG LEU 36 -10.102 3.365 7.641
246 HD11 LEU 36 HD11 LEU 36 -10.101 6.291 7.470
247 HD12 LEU 36 HD12 LEU 36 -10.822 5.057 6.411
248 HD13 LEU 36 HD13 LEU 36 -9.093 5.409 6.312
249 HD21 LEU 36 HD21 LEU 36 -7.841 3.479 7.390
250 HD22 LEU 36 HD22 LEU 36 -8.033 3.596 9.155
251 HD23 LEU 36 HD23 LEU 36 -7.716 5.051 8.193
252 H LYS 37 HN LYS 37 -12.535 2.339 10.271
253 HA LYS 37 HA LYS 37 -11.687 0.551 8.372
254 HB2 LYS 37 HB2 LYS 37 -12.163 -0.241 10.572
255 HB3 LYS 37 HB1 LYS 37 -13.815 0.348 10.515
256 HG2 LYS 37 HG2 LYS 37 -13.923 -1.989 10.377
257 HG3 LYS 37 HG1 LYS 37 -14.264 -1.379 8.759
258 HD2 LYS 37 HD2 LYS 37 -12.037 -1.935 8.023
259 HD3 LYS 37 HD1 LYS 37 -11.566 -2.384 9.670
260 HE2 LYS 37 HE2 LYS 37 -13.128 -4.211 9.670
261 HE3 LYS 37 HE1 LYS 37 -13.763 -3.721 8.100
262 HZ1 LYS 37 HZ1 LYS 37 -11.652 -4.264 7.085
263 HZ2 LYS 37 HZ2 LYS 37 -12.230 -5.601 7.944
264 HZ3 LYS 37 HZ3 LYS 37 -10.979 -4.663 8.592
265 H ALA 38 HN ALA 38 -14.564 2.450 8.388
266 HA ALA 38 HA ALA 38 -16.108 0.888 6.562
267 HB1 ALA 38 HB1 ALA 38 -16.868 2.784 8.179
268 HB2 ALA 38 HB2 ALA 38 -17.667 2.593 6.619
269 HB3 ALA 38 HB3 ALA 38 -16.446 3.846 6.837
270 H ALA 39 HN ALA 39 -13.248 2.427 6.116
271 HA ALA 39 HA ALA 39 -13.751 3.515 3.473
272 HB1 ALA 39 HB1 ALA 39 -11.392 4.150 3.502
273 HB2 ALA 39 HB2 ALA 39 -11.144 3.227 4.995
274 HB3 ALA 39 HB3 ALA 39 -12.183 4.661 4.995
275 H GLU 40 HN GLU 40 -13.841 0.619 4.366
276 HA GLU 40 HA GLU 40 -13.491 -1.449 3.523
277 HB2 GLU 40 HB2 GLU 40 -14.266 -0.388 1.404
278 HB3 GLU 40 HB1 GLU 40 -12.590 -0.034 1.004
279 HG2 GLU 40 HG2 GLU 40 -12.080 -2.416 0.981
280 HG3 GLU 40 HG1 GLU 40 -13.750 -2.783 1.409
281 H GLY 41 HN GLY 41 -10.867 0.198 1.784
282 HA2 GLY 41 HA2 GLY 41 -8.953 -1.053 3.573
283 HA3 GLY 41 HA1 GLY 41 -8.875 -1.494 1.879
284 H CYS 42 HN CYS 42 -9.521 1.772 3.281
285 HA CYS 42 HA CYS 42 -7.121 2.577 1.791
286 HB2 CYS 42 HB2 CYS 42 -9.593 3.836 1.774
287 HB3 CYS 42 HB1 CYS 42 -8.642 4.807 2.895
288 H ALA 43 HN ALA 43 -7.865 1.395 4.504
289 HA ALA 43 HA ALA 43 -6.683 3.158 6.411
290 HB1 ALA 43 HB1 ALA 43 -7.243 0.193 6.452
291 HB2 ALA 43 HB2 ALA 43 -8.287 1.470 7.099
292 HB3 ALA 43 HB3 ALA 43 -6.708 1.140 7.843
293 H SER 44 HN SER 44 -5.740 0.910 4.032
294 HA SER 44 HA SER 44 -3.170 0.153 4.832
295 HB2 SER 44 HB2 SER 44 -4.393 -0.909 2.964
296 HB3 SER 44 HB1 SER 44 -4.310 0.586 2.033
297 HG SER 44 HG SER 44 -2.545 -1.384 2.116
298 H CYS 45 HN CYS 45 -4.506 3.107 3.713
299 HA CYS 45 HA CYS 45 -1.983 4.339 2.965
300 HB2 CYS 45 HB2 CYS 45 -4.493 4.841 2.150
301 HB3 CYS 45 HB1 CYS 45 -4.434 5.952 3.517
302 H PHE 46 HN PHE 46 -4.391 4.444 5.522
303 HA PHE 46 HA PHE 46 -3.292 6.378 7.204
304 HB2 PHE 46 HB2 PHE 46 -5.439 5.762 7.821
305 HB3 PHE 46 HB1 PHE 46 -5.153 4.057 7.513
306 HD1 PHE 46 HD1 PHE 46 -4.299 6.755 10.036
307 HD2 PHE 46 HD2 PHE 46 -4.889 2.625 9.232
308 HE1 PHE 46 HE1 PHE 46 -4.125 6.314 12.313
309 HE2 PHE 46 HE2 PHE 46 -4.741 2.166 11.602
310 HZ PHE 46 HZ PHE 46 -4.363 3.993 13.183
311 H CYS 47 HN CYS 47 -3.073 2.825 7.652
312 HA CYS 47 HA CYS 47 -0.681 3.259 9.242
313 HB2 CYS 47 HB2 CYS 47 -2.384 1.624 9.969
314 HB3 CYS 47 HB1 CYS 47 -2.037 0.659 8.535
315 H GLU 48 HN GLU 48 0.015 4.122 6.838
316 HA GLU 48 HA GLU 48 1.299 1.898 5.417
317 HB2 GLU 48 HB2 GLU 48 0.031 3.535 4.063
318 HB3 GLU 48 HB1 GLU 48 1.069 4.825 4.652
319 HG2 GLU 48 HG2 GLU 48 2.978 3.844 3.542
320 HG3 GLU 48 HG1 GLU 48 2.002 2.469 3.026
321 H ASP 49 HN ASP 49 2.142 5.176 6.528
322 HA ASP 49 HA ASP 49 4.958 4.631 6.525
323 HB2 ASP 49 HB2 ASP 49 4.053 6.899 6.137
324 HB3 ASP 49 HB1 ASP 49 3.420 6.922 7.778
325 H HIS 50 HN HIS 50 2.368 4.364 8.799
326 HA HIS 50 HA HIS 50 4.296 3.713 10.914
327 HB2 HIS 50 HB2 HIS 50 1.981 3.921 12.313
328 HB3 HIS 50 HB1 HIS 50 3.136 5.226 12.117
329 HD1 HIS 50 HD1 HIS 50 -0.113 5.319 12.518
330 HD2 HIS 50 HD2 HIS 50 2.075 6.178 9.086
331 HE1 HIS 50 HE1 HIS 50 -1.526 6.923 11.201
332 HE2 HIS 50 HE2 HIS 50 -0.267 7.293 9.050
333 H CYS 51 HN CYS 51 3.783 1.802 9.006
334 HA CYS 51 HA CYS 51 1.749 -0.020 9.904
335 HB2 CYS 51 HB2 CYS 51 2.418 -0.129 7.578
336 HB3 CYS 51 HB1 CYS 51 4.093 -0.437 8.033
337 H HIS 52 HN HIS 52 2.225 -0.187 12.134
338 HA HIS 52 HA HIS 52 3.915 -2.381 12.841
339 HB2 HIS 52 HB2 HIS 52 5.535 -1.243 14.201
340 HB3 HIS 52 HB1 HIS 52 5.548 -0.422 12.642
341 HD1 HIS 52 HD1 HIS 52 3.368 1.586 12.847
342 HD2 HIS 52 HD2 HIS 52 5.809 0.683 16.088
343 HE1 HIS 52 HE1 HIS 52 3.133 3.527 14.420
344 HE2 HIS 52 HE2 HIS 52 4.481 2.874 16.453
345 H GLY 53 HN GLY 53 4.170 -2.038 15.513
346 HA2 GLY 53 HA2 GLY 53 3.065 -2.107 17.511
347 HA3 GLY 53 HA1 GLY 53 2.095 -0.785 16.892
348 H VAL 54 HN VAL 54 0.003 -1.157 16.312
349 HA VAL 54 HA VAL 54 -0.968 -3.871 16.765
350 HB VAL 54 HB VAL 54 -1.675 -1.740 18.137
351 HG11 VAL 54 HG11 VAL 54 -2.637 -1.196 15.507
352 HG12 VAL 54 HG12 VAL 54 -2.684 -0.149 16.947
353 HG13 VAL 54 HG13 VAL 54 -3.997 -1.307 16.624
354 HG21 VAL 54 HG21 VAL 54 -4.189 -2.850 17.813
355 HG22 VAL 54 HG22 VAL 54 -2.955 -3.368 18.958
356 HG23 VAL 54 HG23 VAL 54 -3.089 -4.164 17.390
357 H CYS 55 HN CYS 55 0.030 -2.320 14.237
358 HA CYS 55 HA CYS 55 -2.215 -2.094 12.470
359 HB2 CYS 55 HB2 CYS 55 0.237 -1.185 12.235
360 HB3 CYS 55 HB1 CYS 55 0.570 -2.767 11.539
361 H LYS 56 HN LYS 56 -0.331 -4.616 13.724
362 HA LYS 56 HA LYS 56 -0.914 -6.569 11.701
363 HB2 LYS 56 HB2 LYS 56 0.907 -6.289 13.810
364 HB3 LYS 56 HB1 LYS 56 -0.127 -7.618 14.283
365 HG2 LYS 56 HG2 LYS 56 1.613 -7.371 11.849
366 HG3 LYS 56 HG1 LYS 56 1.697 -8.577 13.132
367 HD2 LYS 56 HD2 LYS 56 -0.163 -9.733 12.344
368 HD3 LYS 56 HD1 LYS 56 -0.747 -8.358 11.404
369 HE2 LYS 56 HE2 LYS 56 1.671 -10.066 10.818
370 HE3 LYS 56 HE1 LYS 56 0.153 -10.045 9.920
371 HZ1 LYS 56 HZ1 LYS 56 2.239 -7.949 10.033
372 HZ2 LYS 56 HZ2 LYS 56 0.673 -7.601 9.500
373 HZ3 LYS 56 HZ3 LYS 56 1.618 -8.736 8.672
374 H ASP 57 HN ASP 57 -2.229 -5.429 14.718
375 HA ASP 57 HA ASP 57 -4.202 -7.565 14.925
376 HB2 ASP 57 HB2 ASP 57 -3.106 -6.144 16.879
377 HB3 ASP 57 HB1 ASP 57 -4.356 -4.991 16.449
378 H LEU 58 HN LEU 58 -3.727 -4.465 13.645
379 HA LEU 58 HA LEU 58 -6.299 -3.452 13.365
380 HB2 LEU 58 HB2 LEU 58 -3.605 -2.880 12.669
381 HB3 LEU 58 HB1 LEU 58 -4.532 -2.724 11.235
382 HG LEU 58 HG LEU 58 -5.929 -0.986 12.290
383 HD11 LEU 58 HD11 LEU 58 -4.121 -1.469 14.646
384 HD12 LEU 58 HD12 LEU 58 -5.859 -1.802 14.563
385 HD13 LEU 58 HD13 LEU 58 -5.268 -0.136 14.482
386 HD21 LEU 58 HD21 LEU 58 -4.389 0.700 12.104
387 HD22 LEU 58 HD22 LEU 58 -3.620 -0.594 11.191
388 HD23 LEU 58 HD23 LEU 58 -3.094 -0.250 12.838
389 H HIS 59 HN HIS 59 -4.203 -5.266 11.120
390 HA HIS 59 HA HIS 59 -4.696 -6.927 9.605
391 HB2 HIS 59 HB2 HIS 59 -7.622 -6.310 10.119
392 HB3 HIS 59 HB1 HIS 59 -7.027 -7.584 9.061
393 HD1 HIS 59 HD1 HIS 59 -5.104 -9.127 10.634
394 HD2 HIS 59 HD2 HIS 59 -8.466 -7.432 12.395
395 HE1 HIS 59 HE1 HIS 59 -5.506 -10.453 12.738
396 HE2 HIS 59 HE2 HIS 59 -7.469 -9.319 13.858
397 H LEU 60 HN LEU 60 -3.666 -5.006 8.700
398 HA LEU 60 HA LEU 60 -5.059 -4.192 6.309
399 HB2 LEU 60 HB2 LEU 60 -5.897 -2.503 7.538
400 HB3 LEU 60 HB1 LEU 60 -4.695 -2.668 8.782
401 HG LEU 60 HG LEU 60 -4.533 -0.992 6.285
402 HD11 LEU 60 HD11 LEU 60 -4.748 -0.556 9.239
403 HD12 LEU 60 HD12 LEU 60 -5.820 0.019 7.962
404 HD13 LEU 60 HD13 LEU 60 -4.206 0.713 8.138
405 HD21 LEU 60 HD21 LEU 60 -2.473 -0.193 7.704
406 HD22 LEU 60 HD22 LEU 60 -2.325 -1.450 6.474
407 HD23 LEU 60 HD23 LEU 60 -2.463 -1.898 8.192
408 H CYS 61 HN CYS 61 -2.180 -4.331 8.319
409 HA CYS 61 HA CYS 61 -0.488 -4.686 6.012
410 HB2 CYS 61 HB2 CYS 61 -0.483 -2.253 6.140
411 HB3 CYS 61 HB1 CYS 61 -0.085 -2.308 7.849
Start of MODEL 17
1 H1 ALA 1 HT1 ALA 1 0.126 -4.710 -5.588
2 H2 ALA 1 HT2 ALA 1 -0.160 -4.666 -3.891
3 H3 ALA 1 HT3 ALA 1 1.271 -3.977 -4.547
4 HA ALA 1 HA ALA 1 0.014 -2.339 -5.683
5 HB1 ALA 1 HB1 ALA 1 -2.013 -3.623 -6.088
6 HB2 ALA 1 HB2 ALA 1 -2.394 -2.115 -5.254
7 HB3 ALA 1 HB3 ALA 1 -2.370 -3.635 -4.357
8 H MET 2 HN MET 2 -0.609 -0.355 -4.614
9 HA MET 2 HA MET 2 0.534 -0.171 -1.987
10 HB2 MET 2 HB2 MET 2 -0.780 1.927 -3.727
11 HB3 MET 2 HB1 MET 2 0.067 2.255 -2.223
12 HG2 MET 2 HG2 MET 2 1.318 1.042 -4.677
13 HG3 MET 2 HG1 MET 2 1.406 2.743 -4.222
14 HE1 MET 2 HE1 MET 2 4.278 0.970 -4.612
15 HE2 MET 2 HE2 MET 2 4.992 2.024 -3.388
16 HE3 MET 2 HE3 MET 2 3.810 2.668 -4.527
17 H GLY 3 HN GLY 3 -2.411 1.444 -3.040
18 HA2 GLY 3 HA2 GLY 3 -4.082 0.089 -1.101
19 HA3 GLY 3 HA1 GLY 3 -3.697 1.742 -0.703
20 H LYS 4 HN LYS 4 -6.230 1.359 -0.931
21 HA LYS 4 HA LYS 4 -7.260 1.666 -3.592
22 HB2 LYS 4 HB2 LYS 4 -8.550 0.723 -1.626
23 HB3 LYS 4 HB1 LYS 4 -8.573 2.348 -0.934
24 HG2 LYS 4 HG2 LYS 4 -9.899 3.184 -2.734
25 HG3 LYS 4 HG1 LYS 4 -9.719 1.683 -3.644
26 HD2 LYS 4 HD2 LYS 4 -11.160 0.516 -2.241
27 HD3 LYS 4 HD1 LYS 4 -10.970 1.676 -0.923
28 HE2 LYS 4 HE2 LYS 4 -13.167 1.668 -2.294
29 HE3 LYS 4 HE1 LYS 4 -12.412 3.207 -1.885
30 HZ1 LYS 4 HZ1 LYS 4 -12.173 3.685 -4.020
31 HZ2 LYS 4 HZ2 LYS 4 -13.110 2.323 -4.398
32 HZ3 LYS 4 HZ3 LYS 4 -11.421 2.206 -4.358
33 H CYS 5 HN CYS 5 -5.396 3.433 -1.739
34 HA CYS 5 HA CYS 5 -6.290 6.033 -2.748
35 HB2 CYS 5 HB2 CYS 5 -5.330 5.183 -0.018
36 HB3 CYS 5 HB1 CYS 5 -5.511 6.884 -0.489
37 H SER 6 HN SER 6 -4.565 5.417 -4.437
38 HA SER 6 HA SER 6 -1.838 5.635 -3.408
39 HB2 SER 6 HB2 SER 6 -2.825 4.746 -6.121
40 HB3 SER 6 HB1 SER 6 -1.133 4.797 -5.624
41 HG SER 6 HG SER 6 -2.047 3.431 -3.766
42 H VAL 7 HN VAL 7 -0.362 7.006 -4.271
43 HA VAL 7 HA VAL 7 0.492 9.026 -4.566
44 HB VAL 7 HB VAL 7 1.029 8.105 -6.634
45 HG11 VAL 7 HG11 VAL 7 -1.324 8.839 -8.192
46 HG12 VAL 7 HG12 VAL 7 -1.589 7.564 -7.002
47 HG13 VAL 7 HG13 VAL 7 -0.340 7.374 -8.230
48 HG21 VAL 7 HG21 VAL 7 1.640 10.241 -7.003
49 HG22 VAL 7 HG22 VAL 7 0.016 10.870 -6.715
50 HG23 VAL 7 HG23 VAL 7 0.411 10.120 -8.262
51 H LEU 8 HN LEU 8 -2.326 9.387 -6.519
52 HA LEU 8 HA LEU 8 -2.699 12.101 -5.478
53 HB2 LEU 8 HB2 LEU 8 -4.127 12.545 -7.292
54 HB3 LEU 8 HB1 LEU 8 -2.809 11.598 -7.927
55 HG LEU 8 HG LEU 8 -4.718 10.889 -9.067
56 HD11 LEU 8 HD11 LEU 8 -4.538 8.773 -6.961
57 HD12 LEU 8 HD12 LEU 8 -3.247 9.065 -8.126
58 HD13 LEU 8 HD13 LEU 8 -4.852 8.598 -8.687
59 HD21 LEU 8 HD21 LEU 8 -6.565 11.693 -7.984
60 HD22 LEU 8 HD22 LEU 8 -6.092 11.009 -6.429
61 HD23 LEU 8 HD23 LEU 8 -6.720 9.958 -7.699
62 H LYS 9 HN LYS 9 -4.057 8.978 -5.117
63 HA LYS 9 HA LYS 9 -6.373 10.019 -3.731
64 HB2 LYS 9 HB2 LYS 9 -5.481 7.175 -4.277
65 HB3 LYS 9 HB1 LYS 9 -6.999 7.647 -3.535
66 HG2 LYS 9 HG2 LYS 9 -7.715 8.741 -5.543
67 HG3 LYS 9 HG1 LYS 9 -6.146 8.466 -6.295
68 HD2 LYS 9 HD2 LYS 9 -7.347 6.762 -7.227
69 HD3 LYS 9 HD1 LYS 9 -6.729 5.950 -5.787
70 HE2 LYS 9 HE2 LYS 9 -8.767 5.920 -4.754
71 HE3 LYS 9 HE1 LYS 9 -9.317 7.389 -5.560
72 HZ1 LYS 9 HZ1 LYS 9 -10.514 5.433 -6.350
73 HZ2 LYS 9 HZ2 LYS 9 -9.060 4.718 -6.849
74 HZ3 LYS 9 HZ3 LYS 9 -9.608 6.132 -7.604
75 H LYS 10 HN LYS 10 -3.208 9.684 -3.153
76 HA LYS 10 HA LYS 10 -3.185 8.604 -0.471
77 HB2 LYS 10 HB2 LYS 10 -1.173 10.130 -2.140
78 HB3 LYS 10 HB1 LYS 10 -0.890 9.811 -0.434
79 HG2 LYS 10 HG2 LYS 10 -1.497 7.596 -2.360
80 HG3 LYS 10 HG1 LYS 10 0.140 8.219 -2.150
81 HD2 LYS 10 HD2 LYS 10 -1.565 7.221 0.127
82 HD3 LYS 10 HD1 LYS 10 -0.440 6.199 -0.766
83 HE2 LYS 10 HE2 LYS 10 1.402 7.722 -0.130
84 HE3 LYS 10 HE1 LYS 10 0.251 8.678 0.805
85 HZ1 LYS 10 HZ1 LYS 10 0.513 7.309 2.508
86 HZ2 LYS 10 HZ2 LYS 10 1.661 6.427 1.628
87 HZ3 LYS 10 HZ3 LYS 10 0.032 5.971 1.566
88 H VAL 11 HN VAL 11 -4.210 11.329 -1.970
89 HA VAL 11 HA VAL 11 -3.813 13.187 0.233
90 HB VAL 11 HB VAL 11 -3.932 13.364 -2.561
91 HG11 VAL 11 HG11 VAL 11 -6.366 13.369 -2.477
92 HG12 VAL 11 HG12 VAL 11 -5.721 14.899 -3.073
93 HG13 VAL 11 HG13 VAL 11 -6.324 14.779 -1.419
94 HG21 VAL 11 HG21 VAL 11 -4.250 15.889 -1.133
95 HG22 VAL 11 HG22 VAL 11 -2.979 15.331 -2.226
96 HG23 VAL 11 HG23 VAL 11 -2.972 14.834 -0.534
97 H ALA 12 HN ALA 12 -6.045 11.042 -1.163
98 HA ALA 12 HA ALA 12 -8.404 12.177 0.076
99 HB1 ALA 12 HB1 ALA 12 -8.250 11.033 -2.237
100 HB2 ALA 12 HB2 ALA 12 -9.653 10.729 -1.216
101 HB3 ALA 12 HB3 ALA 12 -8.361 9.535 -1.315
102 H CYS 13 HN CYS 13 -5.978 9.986 1.094
103 HA CYS 13 HA CYS 13 -7.584 8.156 2.538
104 HB2 CYS 13 HB2 CYS 13 -5.048 8.768 3.860
105 HB3 CYS 13 HB1 CYS 13 -5.653 7.249 3.207
106 H ALA 14 HN ALA 14 -6.570 11.401 3.128
107 HA ALA 14 HA ALA 14 -7.089 11.429 5.921
108 HB1 ALA 14 HB1 ALA 14 -5.849 13.270 5.486
109 HB2 ALA 14 HB2 ALA 14 -7.413 14.024 5.162
110 HB3 ALA 14 HB3 ALA 14 -6.438 13.401 3.826
111 H ALA 15 HN ALA 15 -8.986 11.958 3.020
112 HA ALA 15 HA ALA 15 -11.265 13.033 4.288
113 HB1 ALA 15 HB1 ALA 15 -11.263 11.423 1.750
114 HB2 ALA 15 HB2 ALA 15 -10.757 13.111 1.823
115 HB3 ALA 15 HB3 ALA 15 -12.413 12.668 2.239
116 H ALA 16 HN ALA 16 -10.021 9.854 4.000
117 HA ALA 16 HA ALA 16 -12.531 8.663 4.851
118 HB1 ALA 16 HB1 ALA 16 -10.368 7.789 3.224
119 HB2 ALA 16 HB2 ALA 16 -11.917 7.000 3.529
120 HB3 ALA 16 HB3 ALA 16 -10.540 6.685 4.589
121 H ILE 17 HN ILE 17 -9.083 8.667 5.882
122 HA ILE 17 HA ILE 17 -9.956 7.501 8.375
123 HB ILE 17 HB ILE 17 -8.008 6.542 7.123
124 HG12 ILE 17 HG12 ILE 17 -8.605 6.329 9.615
125 HG13 ILE 17 HG11 ILE 17 -7.014 5.822 9.068
126 HG21 ILE 17 HG21 ILE 17 -6.250 7.801 6.573
127 HG22 ILE 17 HG22 ILE 17 -5.915 7.944 8.330
128 HG23 ILE 17 HG23 ILE 17 -6.909 9.168 7.502
129 HD11 ILE 17 HD11 ILE 17 -7.775 8.166 10.698
130 HD12 ILE 17 HD12 ILE 17 -6.345 8.253 9.674
131 HD13 ILE 17 HD13 ILE 17 -6.461 7.011 10.919
132 H ALA 18 HN ALA 18 -8.468 10.573 7.374
133 HA ALA 18 HA ALA 18 -7.661 11.522 9.847
134 HB1 ALA 18 HB1 ALA 18 -8.829 13.774 8.792
135 HB2 ALA 18 HB2 ALA 18 -8.477 12.798 7.364
136 HB3 ALA 18 HB3 ALA 18 -7.179 13.223 8.487
137 H GLY 19 HN GLY 19 -10.918 11.153 8.648
138 HA2 GLY 19 HA2 GLY 19 -12.181 12.661 10.734
139 HA3 GLY 19 HA1 GLY 19 -12.974 11.536 9.638
140 H ALA 20 HN ALA 20 -10.983 9.422 10.419
141 HA ALA 20 HA ALA 20 -12.464 8.354 12.632
142 HB1 ALA 20 HB1 ALA 20 -11.944 6.720 11.062
143 HB2 ALA 20 HB2 ALA 20 -10.760 6.448 12.342
144 HB3 ALA 20 HB3 ALA 20 -10.287 7.298 10.868
145 H VAL 21 HN VAL 21 -9.160 9.496 12.050
146 HA VAL 21 HA VAL 21 -8.248 8.866 14.676
147 HB VAL 21 HB VAL 21 -6.437 10.448 14.342
148 HG11 VAL 21 HG11 VAL 21 -7.031 8.398 12.285
149 HG12 VAL 21 HG12 VAL 21 -5.720 8.474 13.469
150 HG13 VAL 21 HG13 VAL 21 -5.652 9.470 12.012
151 HG21 VAL 21 HG21 VAL 21 -7.777 11.184 11.766
152 HG22 VAL 21 HG22 VAL 21 -6.160 11.691 12.269
153 HG23 VAL 21 HG23 VAL 21 -7.576 12.203 13.199
154 H ALA 22 HN ALA 22 -9.723 11.614 13.155
155 HA ALA 22 HA ALA 22 -9.600 13.475 15.241
156 HB1 ALA 22 HB1 ALA 22 -12.060 13.824 13.892
157 HB2 ALA 22 HB2 ALA 22 -10.895 13.248 12.701
158 HB3 ALA 22 HB3 ALA 22 -10.551 14.701 13.642
159 H ALA 23 HN ALA 23 -11.624 10.686 14.700
160 HA ALA 23 HA ALA 23 -13.602 11.384 16.641
161 HB1 ALA 23 HB1 ALA 23 -13.127 9.211 14.782
162 HB2 ALA 23 HB2 ALA 23 -14.645 9.823 15.441
163 HB3 ALA 23 HB3 ALA 23 -13.708 8.631 16.343
164 H CYS 24 HN CYS 24 -10.490 9.806 16.714
165 HA CYS 24 HA CYS 24 -10.976 8.920 19.469
166 HB2 CYS 24 HB2 CYS 24 -10.025 7.334 17.762
167 HB3 CYS 24 HB1 CYS 24 -8.570 8.327 17.750
168 H GLY 25 HN GLY 25 -8.619 10.865 17.580
169 HA2 GLY 25 HA2 GLY 25 -8.130 13.018 18.862
170 HA3 GLY 25 HA1 GLY 25 -7.635 11.925 20.141
171 H GLY 26 HN GLY 26 -7.067 11.952 16.629
172 HA2 GLY 26 HA2 GLY 26 -4.924 12.577 15.688
173 HA3 GLY 26 HA1 GLY 26 -4.172 12.062 17.195
174 H ILE 27 HN ILE 27 -2.895 10.957 15.269
175 HA ILE 27 HA ILE 27 -4.062 8.652 14.061
176 HB ILE 27 HB ILE 27 -1.165 9.474 14.407
177 HG12 ILE 27 HG12 ILE 27 -2.709 10.768 12.881
178 HG13 ILE 27 HG11 ILE 27 -1.296 10.062 12.098
179 HG21 ILE 27 HG21 ILE 27 -0.503 7.688 12.986
180 HG22 ILE 27 HG22 ILE 27 -2.175 7.231 12.660
181 HG23 ILE 27 HG23 ILE 27 -1.482 6.967 14.262
182 HD11 ILE 27 HD11 ILE 27 -3.353 8.133 11.969
183 HD12 ILE 27 HD12 ILE 27 -2.623 9.060 10.651
184 HD13 ILE 27 HD13 ILE 27 -4.049 9.684 11.481
185 H ASP 28 HN ASP 28 -5.067 7.758 15.970
186 HA ASP 28 HA ASP 28 -3.262 6.182 17.688
187 HB2 ASP 28 HB2 ASP 28 -5.398 7.526 18.585
188 HB3 ASP 28 HB1 ASP 28 -6.262 6.140 17.947
189 H LEU 29 HN LEU 29 -2.673 5.065 15.817
190 HA LEU 29 HA LEU 29 -4.202 4.118 13.891
191 HB2 LEU 29 HB2 LEU 29 -2.114 3.972 13.302
192 HB3 LEU 29 HB1 LEU 29 -1.545 3.692 14.938
193 HG LEU 29 HG LEU 29 -2.674 1.261 13.879
194 HD11 LEU 29 HD11 LEU 29 -0.390 2.394 12.285
195 HD12 LEU 29 HD12 LEU 29 -2.071 2.576 11.760
196 HD13 LEU 29 HD13 LEU 29 -1.372 0.962 11.946
197 HD21 LEU 29 HD21 LEU 29 -0.434 0.453 14.366
198 HD22 LEU 29 HD22 LEU 29 -0.986 1.494 15.681
199 HD23 LEU 29 HD23 LEU 29 0.162 2.108 14.489
200 HA PRO 30 HA PRO 30 -5.406 0.023 16.021
201 HB2 PRO 30 HB2 PRO 30 -5.618 0.234 18.813
202 HB3 PRO 30 HB1 PRO 30 -4.416 -0.696 17.924
203 HG2 PRO 30 HG2 PRO 30 -4.029 1.674 19.473
204 HG3 PRO 30 HG1 PRO 30 -2.818 0.730 18.597
205 HD2 PRO 30 HD2 PRO 30 -4.031 3.279 17.897
206 HD3 PRO 30 HD1 PRO 30 -2.631 2.471 17.171
207 H CYS 31 HN CYS 31 -6.111 3.133 17.308
208 HA CYS 31 HA CYS 31 -8.792 2.600 18.159
209 HB2 CYS 31 HB2 CYS 31 -7.070 4.390 18.997
210 HB3 CYS 31 HB1 CYS 31 -7.671 5.320 17.643
211 H VAL 32 HN VAL 32 -7.364 4.597 15.535
212 HA VAL 32 HA VAL 32 -9.837 5.459 14.522
213 HB VAL 32 HB VAL 32 -8.679 6.634 12.981
214 HG11 VAL 32 HG11 VAL 32 -7.391 7.207 14.777
215 HG12 VAL 32 HG12 VAL 32 -6.194 6.755 13.554
216 HG13 VAL 32 HG13 VAL 32 -6.603 5.626 14.849
217 HG21 VAL 32 HG21 VAL 32 -8.371 4.849 11.431
218 HG22 VAL 32 HG22 VAL 32 -6.995 4.237 12.367
219 HG23 VAL 32 HG23 VAL 32 -6.895 5.815 11.568
220 H LEU 33 HN LEU 33 -8.022 2.524 13.800
221 HA LEU 33 HA LEU 33 -9.402 1.900 11.446
222 HB2 LEU 33 HB2 LEU 33 -7.243 0.898 12.533
223 HB3 LEU 33 HB1 LEU 33 -8.377 -0.234 13.250
224 HG LEU 33 HG LEU 33 -9.151 -0.272 10.629
225 HD11 LEU 33 HD11 LEU 33 -6.146 -0.342 10.508
226 HD12 LEU 33 HD12 LEU 33 -7.054 1.139 10.160
227 HD13 LEU 33 HD13 LEU 33 -7.320 -0.309 9.189
228 HD21 LEU 33 HD21 LEU 33 -7.544 -2.368 10.662
229 HD22 LEU 33 HD22 LEU 33 -9.033 -2.298 11.610
230 HD23 LEU 33 HD23 LEU 33 -7.479 -1.962 12.380
231 H ALA 34 HN ALA 34 -10.581 1.986 14.619
232 HA ALA 34 HA ALA 34 -12.433 -0.195 14.448
233 HB1 ALA 34 HB1 ALA 34 -12.618 0.314 16.615
234 HB2 ALA 34 HB2 ALA 34 -13.489 1.780 16.165
235 HB3 ALA 34 HB3 ALA 34 -11.738 1.822 16.368
236 H ALA 35 HN ALA 35 -12.584 3.283 13.912
237 HA ALA 35 HA ALA 35 -15.276 3.107 12.831
238 HB1 ALA 35 HB1 ALA 35 -15.440 5.286 13.302
239 HB2 ALA 35 HB2 ALA 35 -13.896 5.654 12.542
240 HB3 ALA 35 HB3 ALA 35 -13.939 5.074 14.204
241 H LEU 36 HN LEU 36 -11.965 3.708 11.762
242 HA LEU 36 HA LEU 36 -12.619 4.421 9.106
243 HB2 LEU 36 HB2 LEU 36 -10.455 4.998 9.951
244 HB3 LEU 36 HB1 LEU 36 -10.088 3.312 10.298
245 HG LEU 36 HG LEU 36 -10.364 2.881 7.806
246 HD11 LEU 36 HD11 LEU 36 -10.167 5.871 7.754
247 HD12 LEU 36 HD12 LEU 36 -11.534 4.865 7.235
248 HD13 LEU 36 HD13 LEU 36 -10.011 4.797 6.347
249 HD21 LEU 36 HD21 LEU 36 -8.187 3.322 9.184
250 HD22 LEU 36 HD22 LEU 36 -8.129 4.756 8.138
251 HD23 LEU 36 HD23 LEU 36 -8.193 3.135 7.427
252 H LYS 37 HN LYS 37 -12.535 1.361 10.711
253 HA LYS 37 HA LYS 37 -11.824 -0.035 8.359
254 HB2 LYS 37 HB2 LYS 37 -12.563 -0.789 11.050
255 HB3 LYS 37 HB1 LYS 37 -13.470 -1.770 9.903
256 HG2 LYS 37 HG2 LYS 37 -11.302 -2.340 8.793
257 HG3 LYS 37 HG1 LYS 37 -10.478 -1.516 10.120
258 HD2 LYS 37 HD2 LYS 37 -10.529 -3.871 10.595
259 HD3 LYS 37 HD1 LYS 37 -11.631 -3.051 11.707
260 HE2 LYS 37 HE2 LYS 37 -13.463 -3.606 9.998
261 HE3 LYS 37 HE1 LYS 37 -12.290 -4.722 9.296
262 HZ1 LYS 37 HZ1 LYS 37 -12.902 -6.206 10.808
263 HZ2 LYS 37 HZ2 LYS 37 -13.952 -5.088 11.534
264 HZ3 LYS 37 HZ3 LYS 37 -12.337 -5.186 12.044
265 H ALA 38 HN ALA 38 -14.620 1.559 9.348
266 HA ALA 38 HA ALA 38 -16.449 0.053 7.670
267 HB1 ALA 38 HB1 ALA 38 -16.709 2.422 9.491
268 HB2 ALA 38 HB2 ALA 38 -17.529 0.864 9.568
269 HB3 ALA 38 HB3 ALA 38 -17.983 2.037 8.333
270 H ALA 39 HN ALA 39 -13.979 1.994 7.046
271 HA ALA 39 HA ALA 39 -15.022 3.962 5.275
272 HB1 ALA 39 HB1 ALA 39 -12.845 4.452 5.998
273 HB2 ALA 39 HB2 ALA 39 -12.597 3.886 4.347
274 HB3 ALA 39 HB3 ALA 39 -12.251 2.806 5.711
275 H GLU 40 HN GLU 40 -14.152 3.909 2.900
276 HA GLU 40 HA GLU 40 -15.455 1.740 1.591
277 HB2 GLU 40 HB2 GLU 40 -14.870 2.842 -0.455
278 HB3 GLU 40 HB1 GLU 40 -15.297 4.091 0.703
279 HG2 GLU 40 HG2 GLU 40 -12.457 3.289 0.162
280 HG3 GLU 40 HG1 GLU 40 -13.289 4.520 -0.776
281 H GLY 41 HN GLY 41 -12.359 2.208 2.868
282 HA2 GLY 41 HA2 GLY 41 -11.072 0.068 3.024
283 HA3 GLY 41 HA1 GLY 41 -11.283 -0.031 1.278
284 H CYS 42 HN CYS 42 -10.389 2.679 3.428
285 HA CYS 42 HA CYS 42 -8.003 3.024 1.735
286 HB2 CYS 42 HB2 CYS 42 -9.768 4.873 1.731
287 HB3 CYS 42 HB1 CYS 42 -9.308 5.168 3.384
288 H ALA 43 HN ALA 43 -8.666 1.530 4.350
289 HA ALA 43 HA ALA 43 -7.187 2.731 6.434
290 HB1 ALA 43 HB1 ALA 43 -7.591 -0.214 5.991
291 HB2 ALA 43 HB2 ALA 43 -8.836 0.860 6.663
292 HB3 ALA 43 HB3 ALA 43 -7.295 0.615 7.522
293 H SER 44 HN SER 44 -6.369 0.888 3.646
294 HA SER 44 HA SER 44 -3.758 0.089 4.361
295 HB2 SER 44 HB2 SER 44 -4.982 -0.926 2.487
296 HB3 SER 44 HB1 SER 44 -4.963 0.609 1.618
297 HG SER 44 HG SER 44 -3.288 -0.807 0.927
298 H CYS 45 HN CYS 45 -5.144 3.107 3.402
299 HA CYS 45 HA CYS 45 -2.561 4.266 2.679
300 HB2 CYS 45 HB2 CYS 45 -4.940 4.954 1.729
301 HB3 CYS 45 HB1 CYS 45 -4.953 5.989 3.166
302 H PHE 46 HN PHE 46 -4.926 4.310 5.254
303 HA PHE 46 HA PHE 46 -3.891 6.321 6.866
304 HB2 PHE 46 HB2 PHE 46 -5.927 5.559 7.619
305 HB3 PHE 46 HB1 PHE 46 -5.551 3.882 7.274
306 HD1 PHE 46 HD1 PHE 46 -4.798 6.620 9.781
307 HD2 PHE 46 HD2 PHE 46 -5.027 2.448 8.947
308 HE1 PHE 46 HE1 PHE 46 -4.463 6.161 12.057
309 HE2 PHE 46 HE2 PHE 46 -4.704 1.981 11.311
310 HZ PHE 46 HZ PHE 46 -4.446 3.821 12.897
311 H CYS 47 HN CYS 47 -3.380 2.812 7.355
312 HA CYS 47 HA CYS 47 -0.980 3.393 8.852
313 HB2 CYS 47 HB2 CYS 47 -2.547 1.591 9.493
314 HB3 CYS 47 HB1 CYS 47 -2.116 0.729 8.021
315 H GLU 48 HN GLU 48 -0.951 4.127 5.992
316 HA GLU 48 HA GLU 48 0.933 2.226 4.831
317 HB2 GLU 48 HB2 GLU 48 -0.890 3.576 3.543
318 HB3 GLU 48 HB1 GLU 48 0.246 4.911 3.655
319 HG2 GLU 48 HG2 GLU 48 1.878 3.728 2.390
320 HG3 GLU 48 HG1 GLU 48 0.930 2.241 2.455
321 H ASP 49 HN ASP 49 0.753 5.368 6.292
322 HA ASP 49 HA ASP 49 3.527 6.044 5.910
323 HB2 ASP 49 HB2 ASP 49 1.893 7.834 6.058
324 HB3 ASP 49 HB1 ASP 49 1.335 7.251 7.621
325 H HIS 50 HN HIS 50 1.464 4.936 8.552
326 HA HIS 50 HA HIS 50 3.862 4.333 10.147
327 HB2 HIS 50 HB2 HIS 50 2.041 4.202 12.034
328 HB3 HIS 50 HB1 HIS 50 2.665 5.753 11.516
329 HD1 HIS 50 HD1 HIS 50 -0.344 3.527 11.001
330 HD2 HIS 50 HD2 HIS 50 0.798 7.498 10.593
331 HE1 HIS 50 HE1 HIS 50 -2.450 4.782 10.448
332 HE2 HIS 50 HE2 HIS 50 -1.686 7.139 9.970
333 H CYS 51 HN CYS 51 3.504 2.428 8.373
334 HA CYS 51 HA CYS 51 1.691 0.370 9.192
335 HB2 CYS 51 HB2 CYS 51 2.458 0.493 6.859
336 HB3 CYS 51 HB1 CYS 51 4.113 0.188 7.380
337 H HIS 52 HN HIS 52 2.216 0.282 11.441
338 HA HIS 52 HA HIS 52 4.116 -1.770 12.082
339 HB2 HIS 52 HB2 HIS 52 5.598 -0.509 13.479
340 HB3 HIS 52 HB1 HIS 52 5.512 0.375 11.960
341 HD1 HIS 52 HD1 HIS 52 3.180 2.177 12.240
342 HD2 HIS 52 HD2 HIS 52 5.649 1.317 15.473
343 HE1 HIS 52 HE1 HIS 52 2.807 4.040 13.886
344 HE2 HIS 52 HE2 HIS 52 4.156 3.389 15.910
345 H GLY 53 HN GLY 53 4.322 -1.466 14.751
346 HA2 GLY 53 HA2 GLY 53 3.215 -1.865 16.703
347 HA3 GLY 53 HA1 GLY 53 2.228 -0.496 16.233
348 H VAL 54 HN VAL 54 0.117 -0.823 15.877
349 HA VAL 54 HA VAL 54 -0.838 -3.503 16.234
350 HB VAL 54 HB VAL 54 -1.647 -1.412 17.453
351 HG11 VAL 54 HG11 VAL 54 -2.563 -0.937 14.710
352 HG12 VAL 54 HG12 VAL 54 -2.191 0.228 15.999
353 HG13 VAL 54 HG13 VAL 54 -3.748 -0.615 15.976
354 HG21 VAL 54 HG21 VAL 54 -3.688 -3.237 16.181
355 HG22 VAL 54 HG22 VAL 54 -3.925 -2.274 17.637
356 HG23 VAL 54 HG23 VAL 54 -2.754 -3.591 17.631
357 H CYS 55 HN CYS 55 0.001 -1.834 13.479
358 HA CYS 55 HA CYS 55 -2.184 -2.198 11.610
359 HB2 CYS 55 HB2 CYS 55 0.408 -1.271 11.499
360 HB3 CYS 55 HB1 CYS 55 0.592 -2.841 10.729
361 H LYS 56 HN LYS 56 0.000 -4.304 13.241
362 HA LYS 56 HA LYS 56 -0.230 -6.631 11.610
363 HB2 LYS 56 HB2 LYS 56 1.630 -6.019 13.224
364 HB3 LYS 56 HB1 LYS 56 0.526 -6.414 14.532
365 HG2 LYS 56 HG2 LYS 56 0.539 -8.693 14.012
366 HG3 LYS 56 HG1 LYS 56 1.210 -8.406 12.402
367 HD2 LYS 56 HD2 LYS 56 2.876 -9.315 13.999
368 HD3 LYS 56 HD1 LYS 56 3.327 -7.740 13.342
369 HE2 LYS 56 HE2 LYS 56 2.334 -6.723 15.429
370 HE3 LYS 56 HE1 LYS 56 2.220 -8.357 16.079
371 HZ1 LYS 56 HZ1 LYS 56 4.385 -8.357 16.578
372 HZ2 LYS 56 HZ2 LYS 56 4.371 -6.685 16.278
373 HZ3 LYS 56 HZ3 LYS 56 4.839 -7.760 15.050
374 H ASP 57 HN ASP 57 -1.965 -5.280 14.342
375 HA ASP 57 HA ASP 57 -3.725 -7.614 14.596
376 HB2 ASP 57 HB2 ASP 57 -2.834 -5.625 16.408
377 HB3 ASP 57 HB1 ASP 57 -4.546 -5.324 16.142
378 H LEU 58 HN LEU 58 -3.543 -4.423 13.383
379 HA LEU 58 HA LEU 58 -6.202 -3.698 13.034
380 HB2 LEU 58 HB2 LEU 58 -3.538 -2.870 12.408
381 HB3 LEU 58 HB1 LEU 58 -4.495 -2.722 10.977
382 HG LEU 58 HG LEU 58 -5.975 -1.114 12.080
383 HD11 LEU 58 HD11 LEU 58 -5.546 -0.366 14.328
384 HD12 LEU 58 HD12 LEU 58 -4.239 -1.546 14.505
385 HD13 LEU 58 HD13 LEU 58 -5.917 -2.092 14.325
386 HD21 LEU 58 HD21 LEU 58 -3.643 -0.514 11.145
387 HD22 LEU 58 HD22 LEU 58 -3.219 -0.275 12.838
388 HD23 LEU 58 HD23 LEU 58 -4.520 0.667 12.116
389 H HIS 59 HN HIS 59 -3.817 -5.019 10.726
390 HA HIS 59 HA HIS 59 -3.984 -6.733 9.225
391 HB2 HIS 59 HB2 HIS 59 -6.962 -6.694 9.750
392 HB3 HIS 59 HB1 HIS 59 -6.173 -7.768 8.601
393 HD1 HIS 59 HD1 HIS 59 -3.943 -9.010 10.052
394 HD2 HIS 59 HD2 HIS 59 -7.520 -8.101 11.965
395 HE1 HIS 59 HE1 HIS 59 -4.029 -10.506 12.072
396 HE2 HIS 59 HE2 HIS 59 -6.086 -9.770 13.332
397 H LEU 60 HN LEU 60 -3.279 -4.705 8.246
398 HA LEU 60 HA LEU 60 -4.787 -4.373 5.840
399 HB2 LEU 60 HB2 LEU 60 -5.356 -2.105 6.060
400 HB3 LEU 60 HB1 LEU 60 -5.747 -2.838 7.593
401 HG LEU 60 HG LEU 60 -4.876 -0.539 7.723
402 HD11 LEU 60 HD11 LEU 60 -4.602 -2.649 9.376
403 HD12 LEU 60 HD12 LEU 60 -4.206 -0.975 9.776
404 HD13 LEU 60 HD13 LEU 60 -2.936 -2.082 9.242
405 HD21 LEU 60 HD21 LEU 60 -2.401 -1.898 6.818
406 HD22 LEU 60 HD22 LEU 60 -2.384 -0.407 7.750
407 HD23 LEU 60 HD23 LEU 60 -3.163 -0.442 6.162
408 H CYS 61 HN CYS 61 -1.947 -4.223 7.672
409 HA CYS 61 HA CYS 61 -0.252 -4.277 5.381
410 HB2 CYS 61 HB2 CYS 61 -0.614 -1.835 5.530
411 HB3 CYS 61 HB1 CYS 61 -0.084 -1.859 7.206
Start of MODEL 18
1 H1 ALA 1 HT1 ALA 1 -2.085 -1.641 -5.886
2 H2 ALA 1 HT2 ALA 1 -3.365 -0.663 -6.488
3 H3 ALA 1 HT3 ALA 1 -2.745 -0.398 -4.908
4 HA ALA 1 HA ALA 1 -0.636 -0.289 -6.700
5 HB1 ALA 1 HB1 ALA 1 -1.297 1.595 -8.084
6 HB2 ALA 1 HB2 ALA 1 -2.924 1.554 -7.395
7 HB3 ALA 1 HB3 ALA 1 -2.354 0.213 -8.394
8 H MET 2 HN MET 2 0.647 0.431 -5.131
9 HA MET 2 HA MET 2 1.566 1.727 -3.509
10 HB2 MET 2 HB2 MET 2 -0.302 3.818 -4.642
11 HB3 MET 2 HB1 MET 2 0.976 4.146 -3.481
12 HG2 MET 2 HG2 MET 2 1.523 2.914 -6.166
13 HG3 MET 2 HG1 MET 2 1.456 4.656 -5.920
14 HE1 MET 2 HE1 MET 2 4.694 1.701 -4.846
15 HE2 MET 2 HE2 MET 2 2.986 1.359 -5.130
16 HE3 MET 2 HE3 MET 2 3.545 1.779 -3.509
17 H GLY 3 HN GLY 3 -0.542 0.040 -2.737
18 HA2 GLY 3 HA2 GLY 3 -1.315 -0.107 -0.424
19 HA3 GLY 3 HA1 GLY 3 -1.632 1.607 -0.489
20 H LYS 4 HN LYS 4 -3.657 0.500 0.435
21 HA LYS 4 HA LYS 4 -5.513 -0.538 -1.526
22 HB2 LYS 4 HB2 LYS 4 -5.420 -1.093 1.003
23 HB3 LYS 4 HB1 LYS 4 -6.139 0.496 1.251
24 HG2 LYS 4 HG2 LYS 4 -7.894 -1.086 1.347
25 HG3 LYS 4 HG1 LYS 4 -8.051 -0.264 -0.207
26 HD2 LYS 4 HD2 LYS 4 -8.132 -2.308 -1.116
27 HD3 LYS 4 HD1 LYS 4 -6.404 -2.411 -0.769
28 HE2 LYS 4 HE2 LYS 4 -8.611 -3.290 1.093
29 HE3 LYS 4 HE1 LYS 4 -7.660 -4.360 0.064
30 HZ1 LYS 4 HZ1 LYS 4 -6.888 -2.989 2.527
31 HZ2 LYS 4 HZ2 LYS 4 -5.688 -3.169 1.344
32 HZ3 LYS 4 HZ3 LYS 4 -6.477 -4.531 1.975
33 H CYS 5 HN CYS 5 -4.083 2.154 -1.320
34 HA CYS 5 HA CYS 5 -6.361 3.890 -1.943
35 HB2 CYS 5 HB2 CYS 5 -3.841 4.558 -0.407
36 HB3 CYS 5 HB1 CYS 5 -5.173 5.681 -0.747
37 H SER 6 HN SER 6 -6.132 4.385 -4.089
38 HA SER 6 HA SER 6 -3.647 4.201 -5.464
39 HB2 SER 6 HB2 SER 6 -5.902 3.815 -6.512
40 HB3 SER 6 HB1 SER 6 -6.177 5.553 -6.423
41 HG SER 6 HG SER 6 -4.849 4.173 -8.286
42 H VAL 7 HN VAL 7 -3.437 6.306 -7.113
43 HA VAL 7 HA VAL 7 -1.939 8.184 -5.777
44 HB VAL 7 HB VAL 7 -1.708 8.014 -8.110
45 HG11 VAL 7 HG11 VAL 7 -4.334 7.529 -8.299
46 HG12 VAL 7 HG12 VAL 7 -3.301 7.908 -9.681
47 HG13 VAL 7 HG13 VAL 7 -4.272 9.178 -8.932
48 HG21 VAL 7 HG21 VAL 7 -1.994 10.476 -6.894
49 HG22 VAL 7 HG22 VAL 7 -2.905 10.636 -8.389
50 HG23 VAL 7 HG23 VAL 7 -1.212 10.160 -8.438
51 H LEU 8 HN LEU 8 -5.186 8.747 -7.044
52 HA LEU 8 HA LEU 8 -5.539 11.234 -5.713
53 HB2 LEU 8 HB2 LEU 8 -7.878 11.073 -6.386
54 HB3 LEU 8 HB1 LEU 8 -6.808 10.654 -7.713
55 HG LEU 8 HG LEU 8 -7.949 8.436 -6.063
56 HD11 LEU 8 HD11 LEU 8 -9.426 10.000 -8.177
57 HD12 LEU 8 HD12 LEU 8 -9.909 9.763 -6.494
58 HD13 LEU 8 HD13 LEU 8 -9.900 8.396 -7.615
59 HD21 LEU 8 HD21 LEU 8 -6.266 8.065 -7.874
60 HD22 LEU 8 HD22 LEU 8 -7.435 8.720 -9.020
61 HD23 LEU 8 HD23 LEU 8 -7.799 7.234 -8.143
62 H LYS 9 HN LYS 9 -6.063 7.925 -4.720
63 HA LYS 9 HA LYS 9 -7.720 8.657 -2.497
64 HB2 LYS 9 HB2 LYS 9 -6.450 6.094 -3.393
65 HB3 LYS 9 HB1 LYS 9 -7.249 6.229 -1.837
66 HG2 LYS 9 HG2 LYS 9 -8.492 6.687 -4.537
67 HG3 LYS 9 HG1 LYS 9 -8.793 5.332 -3.444
68 HD2 LYS 9 HD2 LYS 9 -9.820 6.778 -1.824
69 HD3 LYS 9 HD1 LYS 9 -9.331 8.214 -2.723
70 HE2 LYS 9 HE2 LYS 9 -11.220 8.162 -3.875
71 HE3 LYS 9 HE1 LYS 9 -10.838 6.543 -4.469
72 HZ1 LYS 9 HZ1 LYS 9 -12.312 7.239 -1.979
73 HZ2 LYS 9 HZ2 LYS 9 -11.825 5.662 -2.386
74 HZ3 LYS 9 HZ3 LYS 9 -12.940 6.488 -3.366
75 H LYS 10 HN LYS 10 -4.507 8.990 -3.141
76 HA LYS 10 HA LYS 10 -3.495 8.498 -0.466
77 HB2 LYS 10 HB2 LYS 10 -2.358 9.467 -3.049
78 HB3 LYS 10 HB1 LYS 10 -1.550 9.967 -1.571
79 HG2 LYS 10 HG2 LYS 10 -2.121 7.129 -1.576
80 HG3 LYS 10 HG1 LYS 10 -1.141 7.619 -2.963
81 HD2 LYS 10 HD2 LYS 10 0.482 8.657 -1.510
82 HD3 LYS 10 HD1 LYS 10 -0.526 8.342 -0.095
83 HE2 LYS 10 HE2 LYS 10 -0.257 5.944 -0.410
84 HE3 LYS 10 HE1 LYS 10 0.693 6.220 -1.871
85 HZ1 LYS 10 HZ1 LYS 10 1.853 7.664 0.243
86 HZ2 LYS 10 HZ2 LYS 10 2.501 6.355 -0.624
87 HZ3 LYS 10 HZ3 LYS 10 1.574 6.074 0.776
88 H VAL 11 HN VAL 11 -5.249 10.766 -2.119
89 HA VAL 11 HA VAL 11 -4.538 13.002 -0.365
90 HB VAL 11 HB VAL 11 -5.119 12.819 -3.112
91 HG11 VAL 11 HG11 VAL 11 -7.444 13.990 -1.629
92 HG12 VAL 11 HG12 VAL 11 -7.440 12.758 -2.892
93 HG13 VAL 11 HG13 VAL 11 -7.058 14.433 -3.291
94 HG21 VAL 11 HG21 VAL 11 -4.113 14.678 -1.311
95 HG22 VAL 11 HG22 VAL 11 -5.396 15.510 -2.186
96 HG23 VAL 11 HG23 VAL 11 -4.075 14.741 -3.070
97 H ALA 12 HN ALA 12 -6.956 10.715 -1.305
98 HA ALA 12 HA ALA 12 -9.081 11.896 0.233
99 HB1 ALA 12 HB1 ALA 12 -10.197 9.639 -0.385
100 HB2 ALA 12 HB2 ALA 12 -8.832 9.481 -1.492
101 HB3 ALA 12 HB3 ALA 12 -9.925 10.861 -1.629
102 H CYS 13 HN CYS 13 -6.458 9.880 1.074
103 HA CYS 13 HA CYS 13 -7.870 8.294 2.985
104 HB2 CYS 13 HB2 CYS 13 -5.562 7.971 4.050
105 HB3 CYS 13 HB1 CYS 13 -5.831 7.317 2.433
106 H ALA 14 HN ALA 14 -6.977 11.524 2.863
107 HA ALA 14 HA ALA 14 -6.802 11.916 5.709
108 HB1 ALA 14 HB1 ALA 14 -5.730 13.350 3.803
109 HB2 ALA 14 HB2 ALA 14 -6.362 14.144 5.243
110 HB3 ALA 14 HB3 ALA 14 -7.313 14.125 3.760
111 H ALA 15 HN ALA 15 -9.156 11.877 3.195
112 HA ALA 15 HA ALA 15 -11.205 13.162 4.743
113 HB1 ALA 15 HB1 ALA 15 -12.516 13.062 2.849
114 HB2 ALA 15 HB2 ALA 15 -11.815 11.529 2.325
115 HB3 ALA 15 HB3 ALA 15 -10.907 13.029 2.126
116 H ALA 16 HN ALA 16 -9.938 10.049 4.238
117 HA ALA 16 HA ALA 16 -12.269 8.743 5.360
118 HB1 ALA 16 HB1 ALA 16 -10.500 7.983 3.409
119 HB2 ALA 16 HB2 ALA 16 -11.634 6.924 4.246
120 HB3 ALA 16 HB3 ALA 16 -9.968 7.048 4.810
121 H ILE 17 HN ILE 17 -8.749 8.779 6.011
122 HA ILE 17 HA ILE 17 -9.335 7.805 8.667
123 HB ILE 17 HB ILE 17 -7.425 7.032 6.916
124 HG12 ILE 17 HG12 ILE 17 -8.120 5.662 8.651
125 HG13 ILE 17 HG11 ILE 17 -6.419 5.979 8.980
126 HG21 ILE 17 HG21 ILE 17 -6.248 9.253 8.228
127 HG22 ILE 17 HG22 ILE 17 -5.525 8.117 7.073
128 HG23 ILE 17 HG23 ILE 17 -5.500 7.757 8.827
129 HD11 ILE 17 HD11 ILE 17 -7.077 6.484 11.008
130 HD12 ILE 17 HD12 ILE 17 -8.766 6.640 10.517
131 HD13 ILE 17 HD13 ILE 17 -7.653 7.995 10.303
132 H ALA 18 HN ALA 18 -7.796 10.712 7.265
133 HA ALA 18 HA ALA 18 -6.786 11.744 9.668
134 HB1 ALA 18 HB1 ALA 18 -7.813 13.105 7.210
135 HB2 ALA 18 HB2 ALA 18 -6.147 12.936 7.777
136 HB3 ALA 18 HB3 ALA 18 -7.257 14.032 8.605
137 H GLY 19 HN GLY 19 -10.024 11.426 8.544
138 HA2 GLY 19 HA2 GLY 19 -11.128 13.167 10.607
139 HA3 GLY 19 HA1 GLY 19 -12.042 12.292 9.383
140 H ALA 20 HN ALA 20 -10.416 9.818 10.091
141 HA ALA 20 HA ALA 20 -12.193 8.817 12.117
142 HB1 ALA 20 HB1 ALA 20 -9.925 7.474 10.661
143 HB2 ALA 20 HB2 ALA 20 -11.644 7.330 10.299
144 HB3 ALA 20 HB3 ALA 20 -10.999 6.673 11.803
145 H VAL 21 HN VAL 21 -8.762 9.548 11.808
146 HA VAL 21 HA VAL 21 -8.013 8.605 14.377
147 HB VAL 21 HB VAL 21 -6.008 9.927 14.167
148 HG11 VAL 21 HG11 VAL 21 -5.014 8.907 12.310
149 HG12 VAL 21 HG12 VAL 21 -6.510 8.964 11.375
150 HG13 VAL 21 HG13 VAL 21 -6.354 7.824 12.719
151 HG21 VAL 21 HG21 VAL 21 -7.042 11.192 11.668
152 HG22 VAL 21 HG22 VAL 21 -5.595 11.600 12.594
153 HG23 VAL 21 HG23 VAL 21 -7.196 11.936 13.262
154 H ALA 22 HN ALA 22 -9.119 11.611 13.084
155 HA ALA 22 HA ALA 22 -8.937 13.262 15.346
156 HB1 ALA 22 HB1 ALA 22 -9.918 13.447 12.688
157 HB2 ALA 22 HB2 ALA 22 -9.589 14.753 13.833
158 HB3 ALA 22 HB3 ALA 22 -11.188 14.013 13.776
159 H ALA 23 HN ALA 23 -11.312 10.893 14.311
160 HA ALA 23 HA ALA 23 -13.413 11.661 16.037
161 HB1 ALA 23 HB1 ALA 23 -13.387 8.822 15.655
162 HB2 ALA 23 HB2 ALA 23 -12.968 9.628 14.144
163 HB3 ALA 23 HB3 ALA 23 -14.475 10.024 14.969
164 H CYS 24 HN CYS 24 -10.457 9.896 16.505
165 HA CYS 24 HA CYS 24 -11.300 9.106 19.197
166 HB2 CYS 24 HB2 CYS 24 -10.146 7.473 17.616
167 HB3 CYS 24 HB1 CYS 24 -8.682 8.421 17.864
168 H GLY 25 HN GLY 25 -8.703 10.927 17.520
169 HA2 GLY 25 HA2 GLY 25 -8.368 13.140 18.766
170 HA3 GLY 25 HA1 GLY 25 -7.997 12.095 20.123
171 H GLY 26 HN GLY 26 -7.055 11.514 16.772
172 HA2 GLY 26 HA2 GLY 26 -4.787 12.402 16.091
173 HA3 GLY 26 HA1 GLY 26 -4.241 11.779 17.643
174 H ILE 27 HN ILE 27 -2.733 10.705 15.954
175 HA ILE 27 HA ILE 27 -3.836 8.529 14.457
176 HB ILE 27 HB ILE 27 -0.976 9.276 15.088
177 HG12 ILE 27 HG12 ILE 27 -2.353 10.630 13.476
178 HG13 ILE 27 HG11 ILE 27 -0.916 9.894 12.765
179 HG21 ILE 27 HG21 ILE 27 -0.266 7.556 13.507
180 HG22 ILE 27 HG22 ILE 27 -1.938 7.015 13.319
181 HG23 ILE 27 HG23 ILE 27 -1.112 6.819 14.871
182 HD11 ILE 27 HD11 ILE 27 -3.602 9.652 11.938
183 HD12 ILE 27 HD12 ILE 27 -3.080 8.062 12.516
184 HD13 ILE 27 HD13 ILE 27 -2.168 8.893 11.244
185 H ASP 28 HN ASP 28 -5.057 7.613 16.195
186 HA ASP 28 HA ASP 28 -3.498 5.802 17.928
187 HB2 ASP 28 HB2 ASP 28 -5.447 7.279 18.918
188 HB3 ASP 28 HB1 ASP 28 -6.496 6.155 18.074
189 H LEU 29 HN LEU 29 -2.963 4.710 16.016
190 HA LEU 29 HA LEU 29 -4.490 3.971 13.977
191 HB2 LEU 29 HB2 LEU 29 -2.128 3.851 14.070
192 HB3 LEU 29 HB1 LEU 29 -2.145 2.541 15.249
193 HG LEU 29 HG LEU 29 -2.904 2.401 12.318
194 HD11 LEU 29 HD11 LEU 29 -0.818 1.635 11.892
195 HD12 LEU 29 HD12 LEU 29 -0.646 0.884 13.480
196 HD13 LEU 29 HD13 LEU 29 -0.431 2.627 13.302
197 HD21 LEU 29 HD21 LEU 29 -2.571 0.100 14.211
198 HD22 LEU 29 HD22 LEU 29 -3.160 0.072 12.548
199 HD23 LEU 29 HD23 LEU 29 -4.137 0.805 13.817
200 HA PRO 30 HA PRO 30 -6.122 -0.063 16.121
201 HB2 PRO 30 HB2 PRO 30 -6.421 0.053 18.825
202 HB3 PRO 30 HB1 PRO 30 -5.011 -0.660 18.037
203 HG2 PRO 30 HG2 PRO 30 -5.318 2.034 19.291
204 HG3 PRO 30 HG1 PRO 30 -3.940 0.920 19.340
205 HD2 PRO 30 HD2 PRO 30 -4.039 3.097 17.711
206 HD3 PRO 30 HD1 PRO 30 -3.137 1.623 17.309
207 H CYS 31 HN CYS 31 -6.636 3.123 17.443
208 HA CYS 31 HA CYS 31 -9.397 2.752 18.100
209 HB2 CYS 31 HB2 CYS 31 -7.619 4.443 19.056
210 HB3 CYS 31 HB1 CYS 31 -8.122 5.424 17.696
211 H VAL 32 HN VAL 32 -7.628 4.478 15.542
212 HA VAL 32 HA VAL 32 -9.910 5.589 14.323
213 HB VAL 32 HB VAL 32 -8.531 6.432 12.682
214 HG11 VAL 32 HG11 VAL 32 -6.120 5.978 14.148
215 HG12 VAL 32 HG12 VAL 32 -7.473 6.320 15.232
216 HG13 VAL 32 HG13 VAL 32 -7.072 7.449 13.944
217 HG21 VAL 32 HG21 VAL 32 -7.962 4.447 11.542
218 HG22 VAL 32 HG22 VAL 32 -6.874 3.944 12.859
219 HG23 VAL 32 HG23 VAL 32 -6.485 5.367 11.871
220 H LEU 33 HN LEU 33 -8.259 2.493 13.668
221 HA LEU 33 HA LEU 33 -9.809 2.085 11.331
222 HB2 LEU 33 HB2 LEU 33 -7.466 1.092 12.192
223 HB3 LEU 33 HB1 LEU 33 -8.533 -0.251 12.573
224 HG LEU 33 HG LEU 33 -9.021 0.823 9.915
225 HD11 LEU 33 HD11 LEU 33 -6.886 1.178 9.344
226 HD12 LEU 33 HD12 LEU 33 -6.816 -0.583 9.263
227 HD13 LEU 33 HD13 LEU 33 -6.246 0.250 10.711
228 HD21 LEU 33 HD21 LEU 33 -9.549 -1.313 9.518
229 HD22 LEU 33 HD22 LEU 33 -9.517 -1.434 11.278
230 HD23 LEU 33 HD23 LEU 33 -8.113 -1.927 10.337
231 H ALA 34 HN ALA 34 -11.024 2.261 14.217
232 HA ALA 34 HA ALA 34 -12.651 -0.174 14.092
233 HB1 ALA 34 HB1 ALA 34 -12.820 0.088 16.318
234 HB2 ALA 34 HB2 ALA 34 -13.608 1.648 16.079
235 HB3 ALA 34 HB3 ALA 34 -11.852 1.559 16.218
236 H ALA 35 HN ALA 35 -12.508 3.096 13.252
237 HA ALA 35 HA ALA 35 -15.326 3.137 12.399
238 HB1 ALA 35 HB1 ALA 35 -13.873 5.020 13.883
239 HB2 ALA 35 HB2 ALA 35 -15.472 5.226 13.168
240 HB3 ALA 35 HB3 ALA 35 -14.033 5.700 12.266
241 H LEU 36 HN LEU 36 -11.961 3.693 11.544
242 HA LEU 36 HA LEU 36 -12.403 4.602 8.904
243 HB2 LEU 36 HB2 LEU 36 -10.236 4.953 9.933
244 HB3 LEU 36 HB1 LEU 36 -10.012 3.216 10.122
245 HG LEU 36 HG LEU 36 -10.287 3.072 7.582
246 HD11 LEU 36 HD11 LEU 36 -9.551 5.952 7.822
247 HD12 LEU 36 HD12 LEU 36 -11.177 5.332 7.450
248 HD13 LEU 36 HD13 LEU 36 -9.841 5.004 6.351
249 HD21 LEU 36 HD21 LEU 36 -7.936 4.105 7.238
250 HD22 LEU 36 HD22 LEU 36 -8.160 2.612 8.166
251 HD23 LEU 36 HD23 LEU 36 -7.930 4.153 9.012
252 H LYS 37 HN LYS 37 -12.430 1.494 10.390
253 HA LYS 37 HA LYS 37 -11.660 0.074 8.125
254 HB2 LYS 37 HB2 LYS 37 -12.120 -0.720 10.637
255 HB3 LYS 37 HB1 LYS 37 -13.718 -1.090 9.999
256 HG2 LYS 37 HG2 LYS 37 -11.223 -2.163 8.717
257 HG3 LYS 37 HG1 LYS 37 -12.018 -2.981 10.063
258 HD2 LYS 37 HD2 LYS 37 -14.111 -3.050 8.723
259 HD3 LYS 37 HD1 LYS 37 -13.223 -2.350 7.366
260 HE2 LYS 37 HE2 LYS 37 -12.516 -4.952 8.727
261 HE3 LYS 37 HE1 LYS 37 -13.456 -4.822 7.238
262 HZ1 LYS 37 HZ1 LYS 37 -10.624 -4.027 7.653
263 HZ2 LYS 37 HZ2 LYS 37 -11.513 -3.633 6.261
264 HZ3 LYS 37 HZ3 LYS 37 -11.213 -5.257 6.647
265 H ALA 38 HN ALA 38 -14.603 1.604 9.048
266 HA ALA 38 HA ALA 38 -16.197 0.389 6.945
267 HB1 ALA 38 HB1 ALA 38 -17.027 1.097 9.285
268 HB2 ALA 38 HB2 ALA 38 -18.038 1.460 7.882
269 HB3 ALA 38 HB3 ALA 38 -17.051 2.730 8.612
270 H ALA 39 HN ALA 39 -13.755 2.208 6.538
271 HA ALA 39 HA ALA 39 -14.706 4.612 5.332
272 HB1 ALA 39 HB1 ALA 39 -12.347 4.460 4.185
273 HB2 ALA 39 HB2 ALA 39 -12.067 3.153 5.344
274 HB3 ALA 39 HB3 ALA 39 -12.458 4.780 5.915
275 H GLU 40 HN GLU 40 -13.947 4.930 2.862
276 HA GLU 40 HA GLU 40 -15.564 3.060 1.381
277 HB2 GLU 40 HB2 GLU 40 -14.979 4.521 -0.580
278 HB3 GLU 40 HB1 GLU 40 -15.799 5.337 0.742
279 HG2 GLU 40 HG2 GLU 40 -13.684 6.261 1.503
280 HG3 GLU 40 HG1 GLU 40 -12.842 5.419 0.203
281 H GLY 41 HN GLY 41 -12.848 2.423 2.623
282 HA2 GLY 41 HA2 GLY 41 -11.539 0.563 2.037
283 HA3 GLY 41 HA1 GLY 41 -11.928 0.851 0.350
284 H CYS 42 HN CYS 42 -10.061 2.270 3.091
285 HA CYS 42 HA CYS 42 -7.973 2.820 1.099
286 HB2 CYS 42 HB2 CYS 42 -9.431 4.906 1.970
287 HB3 CYS 42 HB1 CYS 42 -8.293 4.772 3.305
288 H ALA 43 HN ALA 43 -8.196 3.668 4.505
289 HA ALA 43 HA ALA 43 -7.045 3.126 6.337
290 HB1 ALA 43 HB1 ALA 43 -8.578 1.249 5.801
291 HB2 ALA 43 HB2 ALA 43 -7.271 0.929 6.964
292 HB3 ALA 43 HB3 ALA 43 -7.136 0.350 5.300
293 H SER 44 HN SER 44 -5.544 1.185 3.731
294 HA SER 44 HA SER 44 -3.090 0.825 4.974
295 HB2 SER 44 HB2 SER 44 -3.723 -0.426 2.995
296 HB3 SER 44 HB1 SER 44 -3.730 1.049 2.025
297 HG SER 44 HG SER 44 -1.354 0.854 3.212
298 H CYS 45 HN CYS 45 -4.351 3.615 3.227
299 HA CYS 45 HA CYS 45 -1.888 5.011 2.892
300 HB2 CYS 45 HB2 CYS 45 -4.245 5.626 1.941
301 HB3 CYS 45 HB1 CYS 45 -4.485 6.421 3.502
302 H PHE 46 HN PHE 46 -4.236 4.756 5.432
303 HA PHE 46 HA PHE 46 -3.144 6.633 7.227
304 HB2 PHE 46 HB2 PHE 46 -5.296 6.067 7.821
305 HB3 PHE 46 HB1 PHE 46 -5.113 4.395 7.314
306 HD1 PHE 46 HD1 PHE 46 -4.281 6.743 10.170
307 HD2 PHE 46 HD2 PHE 46 -4.756 2.742 8.792
308 HE1 PHE 46 HE1 PHE 46 -4.148 5.962 12.401
309 HE2 PHE 46 HE2 PHE 46 -4.625 1.963 11.080
310 HZ PHE 46 HZ PHE 46 -4.348 3.558 12.896
311 H CYS 47 HN CYS 47 -3.073 3.022 7.445
312 HA CYS 47 HA CYS 47 -0.624 3.341 8.990
313 HB2 CYS 47 HB2 CYS 47 -2.341 1.695 9.697
314 HB3 CYS 47 HB1 CYS 47 -1.988 0.762 8.242
315 H GLU 48 HN GLU 48 0.625 4.208 7.234
316 HA GLU 48 HA GLU 48 1.724 2.076 5.521
317 HB2 GLU 48 HB2 GLU 48 0.975 4.852 4.851
318 HB3 GLU 48 HB1 GLU 48 2.586 4.389 4.319
319 HG2 GLU 48 HG2 GLU 48 1.459 2.336 3.306
320 HG3 GLU 48 HG1 GLU 48 -0.053 3.208 3.552
321 H ASP 49 HN ASP 49 2.508 5.227 6.982
322 HA ASP 49 HA ASP 49 5.301 4.558 7.137
323 HB2 ASP 49 HB2 ASP 49 4.311 6.919 6.877
324 HB3 ASP 49 HB1 ASP 49 3.978 6.834 8.606
325 H HIS 50 HN HIS 50 2.599 4.872 9.432
326 HA HIS 50 HA HIS 50 4.298 3.796 11.536
327 HB2 HIS 50 HB2 HIS 50 2.169 4.041 12.951
328 HB3 HIS 50 HB1 HIS 50 2.987 5.502 12.438
329 HD1 HIS 50 HD1 HIS 50 -0.073 3.428 11.572
330 HD2 HIS 50 HD2 HIS 50 1.443 7.267 11.085
331 HE1 HIS 50 HE1 HIS 50 -1.966 4.790 10.642
332 HE2 HIS 50 HE2 HIS 50 -0.954 7.052 10.147
333 H CYS 51 HN CYS 51 4.038 2.051 9.546
334 HA CYS 51 HA CYS 51 1.946 0.140 9.924
335 HB2 CYS 51 HB2 CYS 51 4.279 0.453 8.181
336 HB3 CYS 51 HB1 CYS 51 3.999 -1.211 8.661
337 H HIS 52 HN HIS 52 2.226 0.022 12.297
338 HA HIS 52 HA HIS 52 3.658 -2.338 13.044
339 HB2 HIS 52 HB2 HIS 52 5.204 -1.379 14.624
340 HB3 HIS 52 HB1 HIS 52 5.465 -0.568 13.084
341 HD1 HIS 52 HD1 HIS 52 3.362 1.621 13.165
342 HD2 HIS 52 HD2 HIS 52 5.666 0.562 16.459
343 HE1 HIS 52 HE1 HIS 52 3.301 3.615 14.694
344 HE2 HIS 52 HE2 HIS 52 4.842 3.015 16.606
345 H GLY 53 HN GLY 53 3.651 -2.202 15.726
346 HA2 GLY 53 HA2 GLY 53 2.344 -2.216 17.602
347 HA3 GLY 53 HA1 GLY 53 1.473 -0.860 16.908
348 H VAL 54 HN VAL 54 -0.604 -1.178 16.452
349 HA VAL 54 HA VAL 54 -1.634 -3.881 16.606
350 HB VAL 54 HB VAL 54 -2.562 -1.849 17.884
351 HG11 VAL 54 HG11 VAL 54 -3.609 -1.349 15.119
352 HG12 VAL 54 HG12 VAL 54 -2.705 -0.230 16.161
353 HG13 VAL 54 HG13 VAL 54 -4.361 -0.683 16.567
354 HG21 VAL 54 HG21 VAL 54 -3.991 -4.033 16.542
355 HG22 VAL 54 HG22 VAL 54 -5.011 -2.701 17.078
356 HG23 VAL 54 HG23 VAL 54 -3.988 -3.546 18.236
357 H CYS 55 HN CYS 55 -0.487 -1.961 14.201
358 HA CYS 55 HA CYS 55 -2.442 -2.150 12.146
359 HB2 CYS 55 HB2 CYS 55 -0.190 -0.846 12.206
360 HB3 CYS 55 HB1 CYS 55 0.524 -2.353 11.635
361 H LYS 56 HN LYS 56 -0.532 -4.427 13.746
362 HA LYS 56 HA LYS 56 -0.395 -6.439 11.705
363 HB2 LYS 56 HB2 LYS 56 1.186 -6.201 13.678
364 HB3 LYS 56 HB1 LYS 56 -0.130 -6.747 14.708
365 HG2 LYS 56 HG2 LYS 56 0.678 -8.788 14.396
366 HG3 LYS 56 HG1 LYS 56 -0.006 -8.695 12.770
367 HD2 LYS 56 HD2 LYS 56 2.075 -7.932 11.870
368 HD3 LYS 56 HD1 LYS 56 2.775 -7.765 13.483
369 HE2 LYS 56 HE2 LYS 56 1.960 -10.313 12.097
370 HE3 LYS 56 HE1 LYS 56 3.602 -9.797 12.500
371 HZ1 LYS 56 HZ1 LYS 56 1.941 -11.356 14.034
372 HZ2 LYS 56 HZ2 LYS 56 1.944 -9.848 14.807
373 HZ3 LYS 56 HZ3 LYS 56 3.401 -10.651 14.527
374 H ASP 57 HN ASP 57 -2.537 -5.469 14.288
375 HA ASP 57 HA ASP 57 -4.163 -7.839 14.228
376 HB2 ASP 57 HB2 ASP 57 -3.849 -5.928 16.098
377 HB3 ASP 57 HB1 ASP 57 -5.287 -5.310 15.291
378 H LEU 58 HN LEU 58 -4.781 -4.427 13.211
379 HA LEU 58 HA LEU 58 -7.208 -5.203 11.975
380 HB2 LEU 58 HB2 LEU 58 -7.216 -2.914 10.928
381 HB3 LEU 58 HB1 LEU 58 -7.247 -3.000 12.675
382 HG LEU 58 HG LEU 58 -5.883 -1.152 11.534
383 HD11 LEU 58 HD11 LEU 58 -5.895 -1.967 13.967
384 HD12 LEU 58 HD12 LEU 58 -4.587 -0.922 13.404
385 HD13 LEU 58 HD13 LEU 58 -4.319 -2.663 13.574
386 HD21 LEU 58 HD21 LEU 58 -4.010 -3.473 11.208
387 HD22 LEU 58 HD22 LEU 58 -3.518 -1.785 11.165
388 HD23 LEU 58 HD23 LEU 58 -4.635 -2.407 9.955
389 H HIS 59 HN HIS 59 -4.013 -5.419 10.971
390 HA HIS 59 HA HIS 59 -2.985 -6.209 9.127
391 HB2 HIS 59 HB2 HIS 59 -4.781 -7.953 9.538
392 HB3 HIS 59 HB1 HIS 59 -5.698 -7.181 8.252
393 HD1 HIS 59 HD1 HIS 59 -2.042 -8.273 8.460
394 HD2 HIS 59 HD2 HIS 59 -5.417 -8.702 6.063
395 HE1 HIS 59 HE1 HIS 59 -1.336 -9.761 6.551
396 HE2 HIS 59 HE2 HIS 59 -3.417 -10.074 5.153
397 H LEU 60 HN LEU 60 -2.411 -4.226 8.206
398 HA LEU 60 HA LEU 60 -4.067 -3.425 5.903
399 HB2 LEU 60 HB2 LEU 60 -2.200 -1.701 7.531
400 HB3 LEU 60 HB1 LEU 60 -3.080 -1.181 6.103
401 HG LEU 60 HG LEU 60 -4.127 -1.793 8.836
402 HD11 LEU 60 HD11 LEU 60 -3.870 0.407 8.853
403 HD12 LEU 60 HD12 LEU 60 -5.378 0.401 7.939
404 HD13 LEU 60 HD13 LEU 60 -3.835 0.525 7.093
405 HD21 LEU 60 HD21 LEU 60 -5.575 -3.047 7.386
406 HD22 LEU 60 HD22 LEU 60 -5.725 -1.662 6.286
407 HD23 LEU 60 HD23 LEU 60 -6.408 -1.579 7.918
408 H CYS 61 HN CYS 61 -0.750 -3.668 7.127
409 HA CYS 61 HA CYS 61 0.158 -4.007 4.348
410 HB2 CYS 61 HB2 CYS 61 2.276 -2.893 5.018
411 HB3 CYS 61 HB1 CYS 61 0.885 -1.827 5.159
Start of MODEL 19
1 H1 ALA 1 HT1 ALA 1 2.943 0.674 0.407
2 H2 ALA 1 HT2 ALA 1 1.239 0.779 0.206
3 H3 ALA 1 HT3 ALA 1 2.190 2.209 0.245
4 HA ALA 1 HA ALA 1 3.294 1.539 -1.752
5 HB1 ALA 1 HB1 ALA 1 2.017 -0.949 -1.110
6 HB2 ALA 1 HB2 ALA 1 3.264 -0.611 -2.311
7 HB3 ALA 1 HB3 ALA 1 1.561 -0.439 -2.736
8 H MET 2 HN MET 2 0.924 0.511 -3.541
9 HA MET 2 HA MET 2 -0.055 3.125 -4.112
10 HB2 MET 2 HB2 MET 2 0.285 0.961 -5.648
11 HB3 MET 2 HB1 MET 2 -1.415 0.739 -5.253
12 HG2 MET 2 HG2 MET 2 -1.960 2.897 -6.173
13 HG3 MET 2 HG1 MET 2 -0.253 3.243 -6.449
14 HE1 MET 2 HE1 MET 2 -1.442 4.033 -8.467
15 HE2 MET 2 HE2 MET 2 -2.253 3.031 -9.673
16 HE3 MET 2 HE3 MET 2 -0.506 3.264 -9.751
17 H GLY 3 HN GLY 3 -2.080 0.220 -3.615
18 HA2 GLY 3 HA2 GLY 3 -3.754 -0.005 -1.932
19 HA3 GLY 3 HA1 GLY 3 -3.541 1.681 -1.554
20 H LYS 4 HN LYS 4 -5.950 1.132 -1.550
21 HA LYS 4 HA LYS 4 -7.253 1.308 -4.122
22 HB2 LYS 4 HB2 LYS 4 -8.055 0.199 -1.861
23 HB3 LYS 4 HB1 LYS 4 -8.557 1.846 -1.464
24 HG2 LYS 4 HG2 LYS 4 -9.423 0.942 -4.123
25 HG3 LYS 4 HG1 LYS 4 -10.079 -0.010 -2.791
26 HD2 LYS 4 HD2 LYS 4 -11.404 1.669 -2.084
27 HD3 LYS 4 HD1 LYS 4 -10.174 2.902 -2.380
28 HE2 LYS 4 HE2 LYS 4 -12.302 3.015 -3.786
29 HE3 LYS 4 HE1 LYS 4 -10.767 3.105 -4.645
30 HZ1 LYS 4 HZ1 LYS 4 -12.477 0.678 -4.366
31 HZ2 LYS 4 HZ2 LYS 4 -10.986 0.739 -5.175
32 HZ3 LYS 4 HZ3 LYS 4 -12.305 1.629 -5.758
33 H CYS 5 HN CYS 5 -5.367 3.152 -2.581
34 HA CYS 5 HA CYS 5 -6.760 5.695 -2.983
35 HB2 CYS 5 HB2 CYS 5 -4.575 5.162 -0.994
36 HB3 CYS 5 HB1 CYS 5 -5.801 6.444 -0.951
37 H SER 6 HN SER 6 -5.813 6.015 -5.076
38 HA SER 6 HA SER 6 -3.129 5.585 -5.780
39 HB2 SER 6 HB2 SER 6 -4.860 7.743 -6.977
40 HB3 SER 6 HB1 SER 6 -3.618 6.770 -7.770
41 HG SER 6 HG SER 6 -5.038 5.249 -8.104
42 H VAL 7 HN VAL 7 -1.949 7.745 -6.779
43 HA VAL 7 HA VAL 7 -0.711 8.973 -4.619
44 HB VAL 7 HB VAL 7 0.377 8.938 -6.719
45 HG11 VAL 7 HG11 VAL 7 -2.059 9.431 -7.849
46 HG12 VAL 7 HG12 VAL 7 -0.520 9.334 -8.701
47 HG13 VAL 7 HG13 VAL 7 -1.149 10.904 -8.201
48 HG21 VAL 7 HG21 VAL 7 1.331 11.043 -6.790
49 HG22 VAL 7 HG22 VAL 7 0.625 10.993 -5.175
50 HG23 VAL 7 HG23 VAL 7 -0.204 11.852 -6.472
51 H LEU 8 HN LEU 8 -3.005 10.516 -6.835
52 HA LEU 8 HA LEU 8 -3.330 12.818 -5.154
53 HB2 LEU 8 HB2 LEU 8 -5.013 13.537 -6.700
54 HB3 LEU 8 HB1 LEU 8 -3.689 12.846 -7.617
55 HG LEU 8 HG LEU 8 -5.572 10.766 -7.145
56 HD11 LEU 8 HD11 LEU 8 -6.931 12.969 -8.614
57 HD12 LEU 8 HD12 LEU 8 -7.023 12.937 -6.851
58 HD13 LEU 8 HD13 LEU 8 -7.618 11.564 -7.788
59 HD21 LEU 8 HD21 LEU 8 -4.127 12.021 -9.298
60 HD22 LEU 8 HD22 LEU 8 -5.772 11.612 -9.795
61 HD23 LEU 8 HD23 LEU 8 -4.705 10.362 -9.150
62 H LYS 9 HN LYS 9 -4.741 9.687 -5.225
63 HA LYS 9 HA LYS 9 -7.129 10.411 -3.788
64 HB2 LYS 9 HB2 LYS 9 -5.895 7.837 -4.698
65 HB3 LYS 9 HB1 LYS 9 -7.179 7.821 -3.508
66 HG2 LYS 9 HG2 LYS 9 -8.691 8.898 -5.063
67 HG3 LYS 9 HG1 LYS 9 -7.395 9.027 -6.259
68 HD2 LYS 9 HD2 LYS 9 -7.357 6.734 -6.656
69 HD3 LYS 9 HD1 LYS 9 -8.124 6.354 -5.113
70 HE2 LYS 9 HE2 LYS 9 -9.617 5.971 -7.038
71 HE3 LYS 9 HE1 LYS 9 -10.249 7.171 -5.914
72 HZ1 LYS 9 HZ1 LYS 9 -10.438 8.557 -7.611
73 HZ2 LYS 9 HZ2 LYS 9 -9.712 7.443 -8.674
74 HZ3 LYS 9 HZ3 LYS 9 -8.756 8.545 -7.815
75 H LYS 10 HN LYS 10 -3.866 9.736 -3.003
76 HA LYS 10 HA LYS 10 -4.355 8.656 -0.389
77 HB2 LYS 10 HB2 LYS 10 -2.071 8.442 -0.168
78 HB3 LYS 10 HB1 LYS 10 -2.224 8.428 -1.917
79 HG2 LYS 10 HG2 LYS 10 -1.720 10.904 -1.852
80 HG3 LYS 10 HG1 LYS 10 -1.271 10.667 -0.160
81 HD2 LYS 10 HD2 LYS 10 -0.047 9.287 -2.559
82 HD3 LYS 10 HD1 LYS 10 0.705 10.551 -1.587
83 HE2 LYS 10 HE2 LYS 10 -0.114 7.836 -0.554
84 HE3 LYS 10 HE1 LYS 10 1.519 8.268 -1.060
85 HZ1 LYS 10 HZ1 LYS 10 0.831 10.221 0.717
86 HZ2 LYS 10 HZ2 LYS 10 1.832 8.891 1.031
87 HZ3 LYS 10 HZ3 LYS 10 0.183 8.815 1.406
88 H VAL 11 HN VAL 11 -4.652 11.613 -1.761
89 HA VAL 11 HA VAL 11 -4.063 13.211 0.597
90 HB VAL 11 HB VAL 11 -4.022 13.692 -2.134
91 HG11 VAL 11 HG11 VAL 11 -6.075 14.219 -2.794
92 HG12 VAL 11 HG12 VAL 11 -5.793 15.749 -1.962
93 HG13 VAL 11 HG13 VAL 11 -6.657 14.447 -1.147
94 HG21 VAL 11 HG21 VAL 11 -2.850 14.863 -0.238
95 HG22 VAL 11 HG22 VAL 11 -4.276 15.896 -0.130
96 HG23 VAL 11 HG23 VAL 11 -3.327 15.853 -1.617
97 H ALA 12 HN ALA 12 -6.574 11.604 -1.054
98 HA ALA 12 HA ALA 12 -8.736 12.925 0.348
99 HB1 ALA 12 HB1 ALA 12 -9.784 12.393 -1.536
100 HB2 ALA 12 HB2 ALA 12 -9.787 10.720 -0.983
101 HB3 ALA 12 HB3 ALA 12 -8.487 11.301 -2.025
102 H CYS 13 HN CYS 13 -6.608 10.382 1.074
103 HA CYS 13 HA CYS 13 -8.405 8.598 2.338
104 HB2 CYS 13 HB2 CYS 13 -5.612 9.003 3.370
105 HB3 CYS 13 HB1 CYS 13 -6.572 7.543 3.280
106 H ALA 14 HN ALA 14 -7.234 11.697 3.096
107 HA ALA 14 HA ALA 14 -7.412 11.585 5.917
108 HB1 ALA 14 HB1 ALA 14 -7.747 14.166 5.544
109 HB2 ALA 14 HB2 ALA 14 -7.311 13.775 3.876
110 HB3 ALA 14 HB3 ALA 14 -6.190 13.408 5.190
111 H ALA 15 HN ALA 15 -9.724 12.265 3.347
112 HA ALA 15 HA ALA 15 -11.795 13.188 5.036
113 HB1 ALA 15 HB1 ALA 15 -12.328 13.721 2.895
114 HB2 ALA 15 HB2 ALA 15 -13.177 12.176 2.975
115 HB3 ALA 15 HB3 ALA 15 -11.577 12.267 2.238
116 H ALA 16 HN ALA 16 -10.616 10.062 4.172
117 HA ALA 16 HA ALA 16 -12.913 8.720 5.315
118 HB1 ALA 16 HB1 ALA 16 -12.408 7.123 3.873
119 HB2 ALA 16 HB2 ALA 16 -10.831 6.901 4.636
120 HB3 ALA 16 HB3 ALA 16 -11.023 8.073 3.328
121 H ILE 17 HN ILE 17 -9.362 8.777 5.896
122 HA ILE 17 HA ILE 17 -9.887 7.499 8.434
123 HB ILE 17 HB ILE 17 -8.141 6.572 6.873
124 HG12 ILE 17 HG12 ILE 17 -8.418 6.211 9.382
125 HG13 ILE 17 HG11 ILE 17 -6.881 5.774 8.648
126 HG21 ILE 17 HG21 ILE 17 -6.395 7.778 6.195
127 HG22 ILE 17 HG22 ILE 17 -5.902 7.897 7.920
128 HG23 ILE 17 HG23 ILE 17 -6.943 9.148 7.191
129 HD11 ILE 17 HD11 ILE 17 -7.513 7.900 10.566
130 HD12 ILE 17 HD12 ILE 17 -6.329 8.290 9.317
131 HD13 ILE 17 HD13 ILE 17 -6.062 6.914 10.389
132 H ALA 18 HN ALA 18 -8.348 10.535 7.306
133 HA ALA 18 HA ALA 18 -7.351 11.349 9.771
134 HB1 ALA 18 HB1 ALA 18 -6.832 12.667 7.855
135 HB2 ALA 18 HB2 ALA 18 -7.696 13.701 8.997
136 HB3 ALA 18 HB3 ALA 18 -8.536 13.047 7.587
137 H GLY 19 HN GLY 19 -10.652 11.217 8.661
138 HA2 GLY 19 HA2 GLY 19 -11.744 12.817 10.779
139 HA3 GLY 19 HA1 GLY 19 -12.647 11.726 9.728
140 H ALA 20 HN ALA 20 -10.853 9.467 10.348
141 HA ALA 20 HA ALA 20 -12.212 8.512 12.675
142 HB1 ALA 20 HB1 ALA 20 -10.068 7.279 10.950
143 HB2 ALA 20 HB2 ALA 20 -11.806 6.973 10.871
144 HB3 ALA 20 HB3 ALA 20 -10.882 6.452 12.279
145 H VAL 21 HN VAL 21 -8.925 9.632 11.938
146 HA VAL 21 HA VAL 21 -7.891 8.853 14.498
147 HB VAL 21 HB VAL 21 -6.008 10.260 14.112
148 HG11 VAL 21 HG11 VAL 21 -6.868 8.304 12.186
149 HG12 VAL 21 HG12 VAL 21 -5.257 8.595 12.857
150 HG13 VAL 21 HG13 VAL 21 -5.799 9.502 11.445
151 HG21 VAL 21 HG21 VAL 21 -5.766 11.655 12.104
152 HG22 VAL 21 HG22 VAL 21 -6.964 12.241 13.263
153 HG23 VAL 21 HG23 VAL 21 -7.487 11.413 11.787
154 H ALA 22 HN ALA 22 -9.310 11.664 13.092
155 HA ALA 22 HA ALA 22 -9.072 13.518 15.155
156 HB1 ALA 22 HB1 ALA 22 -9.898 14.530 13.291
157 HB2 ALA 22 HB2 ALA 22 -11.427 14.242 14.120
158 HB3 ALA 22 HB3 ALA 22 -10.893 13.145 12.842
159 H ALA 23 HN ALA 23 -11.151 10.750 14.747
160 HA ALA 23 HA ALA 23 -13.090 11.403 16.698
161 HB1 ALA 23 HB1 ALA 23 -13.977 9.608 15.711
162 HB2 ALA 23 HB2 ALA 23 -12.890 8.627 16.692
163 HB3 ALA 23 HB3 ALA 23 -12.413 9.106 15.059
164 H CYS 24 HN CYS 24 -9.848 10.077 16.861
165 HA CYS 24 HA CYS 24 -10.194 9.667 19.749
166 HB2 CYS 24 HB2 CYS 24 -8.901 8.128 17.793
167 HB3 CYS 24 HB1 CYS 24 -7.616 8.823 18.773
168 H GLY 25 HN GLY 25 -7.636 10.960 17.538
169 HA2 GLY 25 HA2 GLY 25 -7.443 13.438 18.803
170 HA3 GLY 25 HA1 GLY 25 -6.322 12.366 19.620
171 H GLY 26 HN GLY 26 -5.412 10.863 17.382
172 HA2 GLY 26 HA2 GLY 26 -4.631 12.296 15.143
173 HA3 GLY 26 HA1 GLY 26 -3.445 12.671 16.382
174 H ILE 27 HN ILE 27 -4.504 10.412 14.080
175 HA ILE 27 HA ILE 27 -3.911 8.340 13.455
176 HB ILE 27 HB ILE 27 -1.196 9.542 14.010
177 HG12 ILE 27 HG12 ILE 27 -2.790 10.605 12.358
178 HG13 ILE 27 HG11 ILE 27 -1.263 10.054 11.663
179 HG21 ILE 27 HG21 ILE 27 -0.236 7.858 12.592
180 HG22 ILE 27 HG22 ILE 27 -1.831 7.177 12.237
181 HG23 ILE 27 HG23 ILE 27 -1.137 7.016 13.860
182 HD11 ILE 27 HD11 ILE 27 -2.306 8.657 10.282
183 HD12 ILE 27 HD12 ILE 27 -3.820 9.423 10.778
184 HD13 ILE 27 HD13 ILE 27 -3.258 7.955 11.605
185 H ASP 28 HN ASP 28 -5.009 7.974 15.745
186 HA ASP 28 HA ASP 28 -3.287 6.294 17.399
187 HB2 ASP 28 HB2 ASP 28 -6.274 6.560 17.729
188 HB3 ASP 28 HB1 ASP 28 -5.059 6.245 18.946
189 H LEU 29 HN LEU 29 -2.921 5.015 15.417
190 HA LEU 29 HA LEU 29 -4.655 4.080 13.694
191 HB2 LEU 29 HB2 LEU 29 -3.190 2.174 13.247
192 HB3 LEU 29 HB1 LEU 29 -2.382 3.710 13.350
193 HG LEU 29 HG LEU 29 -2.339 1.716 15.612
194 HD11 LEU 29 HD11 LEU 29 -1.196 0.477 14.082
195 HD12 LEU 29 HD12 LEU 29 0.116 1.543 14.576
196 HD13 LEU 29 HD13 LEU 29 -0.779 1.873 13.096
197 HD21 LEU 29 HD21 LEU 29 -0.026 3.224 15.627
198 HD22 LEU 29 HD22 LEU 29 -1.425 3.463 16.672
199 HD23 LEU 29 HD23 LEU 29 -1.267 4.393 15.185
200 HA PRO 30 HA PRO 30 -6.115 0.212 16.168
201 HB2 PRO 30 HB2 PRO 30 -6.242 0.451 18.878
202 HB3 PRO 30 HB1 PRO 30 -4.881 -0.294 18.033
203 HG2 PRO 30 HG2 PRO 30 -5.124 2.441 19.201
204 HG3 PRO 30 HG1 PRO 30 -3.728 1.350 19.176
205 HD2 PRO 30 HD2 PRO 30 -4.017 3.478 17.487
206 HD3 PRO 30 HD1 PRO 30 -3.081 2.023 17.087
207 H CYS 31 HN CYS 31 -6.607 3.485 17.098
208 HA CYS 31 HA CYS 31 -9.348 3.112 17.943
209 HB2 CYS 31 HB2 CYS 31 -7.650 4.727 18.965
210 HB3 CYS 31 HB1 CYS 31 -7.907 5.717 17.545
211 H VAL 32 HN VAL 32 -7.596 4.875 15.382
212 HA VAL 32 HA VAL 32 -9.897 5.875 14.093
213 HB VAL 32 HB VAL 32 -8.478 6.858 12.626
214 HG11 VAL 32 HG11 VAL 32 -6.446 5.547 14.389
215 HG12 VAL 32 HG12 VAL 32 -7.245 7.103 14.655
216 HG13 VAL 32 HG13 VAL 32 -6.128 6.893 13.299
217 HG21 VAL 32 HG21 VAL 32 -8.382 4.974 11.149
218 HG22 VAL 32 HG22 VAL 32 -7.114 4.229 12.149
219 HG23 VAL 32 HG23 VAL 32 -6.799 5.755 11.298
220 H LEU 33 HN LEU 33 -8.280 2.752 13.839
221 HA LEU 33 HA LEU 33 -9.654 1.970 11.487
222 HB2 LEU 33 HB2 LEU 33 -7.529 1.004 12.863
223 HB3 LEU 33 HB1 LEU 33 -8.778 -0.144 13.320
224 HG LEU 33 HG LEU 33 -9.178 -0.073 10.653
225 HD11 LEU 33 HD11 LEU 33 -6.188 -0.021 10.799
226 HD12 LEU 33 HD12 LEU 33 -7.088 1.495 10.609
227 HD13 LEU 33 HD13 LEU 33 -7.263 0.214 9.410
228 HD21 LEU 33 HD21 LEU 33 -7.849 -1.771 12.571
229 HD22 LEU 33 HD22 LEU 33 -7.225 -1.988 10.932
230 HD23 LEU 33 HD23 LEU 33 -8.948 -2.188 11.258
231 H ALA 34 HN ALA 34 -11.033 2.719 14.301
232 HA ALA 34 HA ALA 34 -12.851 0.432 14.417
233 HB1 ALA 34 HB1 ALA 34 -12.604 1.042 16.600
234 HB2 ALA 34 HB2 ALA 34 -13.910 2.158 16.193
235 HB3 ALA 34 HB3 ALA 34 -12.238 2.721 16.200
236 H ALA 35 HN ALA 35 -12.654 3.789 13.516
237 HA ALA 35 HA ALA 35 -15.422 3.793 12.563
238 HB1 ALA 35 HB1 ALA 35 -15.424 6.032 12.827
239 HB2 ALA 35 HB2 ALA 35 -13.795 6.207 12.176
240 HB3 ALA 35 HB3 ALA 35 -14.026 5.733 13.857
241 H LEU 36 HN LEU 36 -12.071 4.112 11.491
242 HA LEU 36 HA LEU 36 -12.678 4.621 8.763
243 HB2 LEU 36 HB2 LEU 36 -10.502 5.224 9.579
244 HB3 LEU 36 HB1 LEU 36 -10.178 3.571 10.091
245 HG LEU 36 HG LEU 36 -10.489 2.921 7.639
246 HD11 LEU 36 HD11 LEU 36 -11.573 4.768 6.827
247 HD12 LEU 36 HD12 LEU 36 -9.955 4.844 6.121
248 HD13 LEU 36 HD13 LEU 36 -10.375 5.891 7.500
249 HD21 LEU 36 HD21 LEU 36 -8.280 3.222 7.085
250 HD22 LEU 36 HD22 LEU 36 -8.261 3.236 8.866
251 HD23 LEU 36 HD23 LEU 36 -8.171 4.762 7.965
252 H LYS 37 HN LYS 37 -12.701 1.783 10.688
253 HA LYS 37 HA LYS 37 -11.831 0.007 8.759
254 HB2 LYS 37 HB2 LYS 37 -12.229 -0.558 11.188
255 HB3 LYS 37 HB1 LYS 37 -13.954 -0.600 10.851
256 HG2 LYS 37 HG2 LYS 37 -13.514 -2.430 9.201
257 HG3 LYS 37 HG1 LYS 37 -11.841 -2.447 9.766
258 HD2 LYS 37 HD2 LYS 37 -14.254 -2.874 11.524
259 HD3 LYS 37 HD1 LYS 37 -13.262 -4.169 10.848
260 HE2 LYS 37 HE2 LYS 37 -11.308 -3.280 12.031
261 HE3 LYS 37 HE1 LYS 37 -12.300 -1.995 12.720
262 HZ1 LYS 37 HZ1 LYS 37 -13.704 -4.013 13.554
263 HZ2 LYS 37 HZ2 LYS 37 -12.316 -3.524 14.404
264 HZ3 LYS 37 HZ3 LYS 37 -12.251 -4.859 13.351
265 H ALA 38 HN ALA 38 -14.776 1.757 8.863
266 HA ALA 38 HA ALA 38 -16.374 -0.011 7.285
267 HB1 ALA 38 HB1 ALA 38 -17.214 2.610 6.751
268 HB2 ALA 38 HB2 ALA 38 -16.642 2.634 8.421
269 HB3 ALA 38 HB3 ALA 38 -17.898 1.492 7.934
270 H ALA 39 HN ALA 39 -13.661 1.820 6.720
271 HA ALA 39 HA ALA 39 -14.111 2.048 3.827
272 HB1 ALA 39 HB1 ALA 39 -11.921 3.307 5.487
273 HB2 ALA 39 HB2 ALA 39 -13.454 4.110 5.081
274 HB3 ALA 39 HB3 ALA 39 -12.328 3.653 3.799
275 H GLU 40 HN GLU 40 -13.682 -0.523 4.481
276 HA GLU 40 HA GLU 40 -10.962 -1.270 4.723
277 HB2 GLU 40 HB2 GLU 40 -13.459 -2.717 3.926
278 HB3 GLU 40 HB1 GLU 40 -11.902 -3.470 3.617
279 HG2 GLU 40 HG2 GLU 40 -11.365 -3.204 6.030
280 HG3 GLU 40 HG1 GLU 40 -13.014 -2.629 6.284
281 H GLY 41 HN GLY 41 -9.824 -0.062 3.296
282 HA2 GLY 41 HA2 GLY 41 -9.031 -1.059 0.922
283 HA3 GLY 41 HA1 GLY 41 -10.420 -0.072 0.488
284 H CYS 42 HN CYS 42 -9.829 1.930 2.710
285 HA CYS 42 HA CYS 42 -7.463 3.047 1.369
286 HB2 CYS 42 HB2 CYS 42 -9.993 4.251 1.600
287 HB3 CYS 42 HB1 CYS 42 -8.970 5.056 2.763
288 H ALA 43 HN ALA 43 -8.325 1.403 3.876
289 HA ALA 43 HA ALA 43 -7.178 2.848 6.065
290 HB1 ALA 43 HB1 ALA 43 -8.729 1.143 6.638
291 HB2 ALA 43 HB2 ALA 43 -7.131 0.498 7.085
292 HB3 ALA 43 HB3 ALA 43 -7.919 -0.041 5.598
293 H SER 44 HN SER 44 -6.231 0.722 3.523
294 HA SER 44 HA SER 44 -3.614 0.069 4.294
295 HB2 SER 44 HB2 SER 44 -4.703 0.419 1.478
296 HB3 SER 44 HB1 SER 44 -3.333 -0.583 1.985
297 HG SER 44 HG SER 44 -5.237 -1.830 1.709
298 H CYS 45 HN CYS 45 -5.056 2.980 3.201
299 HA CYS 45 HA CYS 45 -2.620 4.268 2.247
300 HB2 CYS 45 HB2 CYS 45 -4.913 4.858 1.378
301 HB3 CYS 45 HB1 CYS 45 -5.305 5.478 2.986
302 H PHE 46 HN PHE 46 -4.727 4.126 4.973
303 HA PHE 46 HA PHE 46 -3.683 6.153 6.597
304 HB2 PHE 46 HB2 PHE 46 -5.785 5.413 7.242
305 HB3 PHE 46 HB1 PHE 46 -5.399 3.722 6.965
306 HD1 PHE 46 HD1 PHE 46 -4.545 6.531 9.319
307 HD2 PHE 46 HD2 PHE 46 -5.119 2.356 8.769
308 HE1 PHE 46 HE1 PHE 46 -4.292 6.208 11.639
309 HE2 PHE 46 HE2 PHE 46 -4.876 2.017 11.150
310 HZ PHE 46 HZ PHE 46 -4.458 3.916 12.621
311 H CYS 47 HN CYS 47 -3.385 2.663 7.201
312 HA CYS 47 HA CYS 47 -1.043 3.136 8.801
313 HB2 CYS 47 HB2 CYS 47 -3.008 1.467 9.106
314 HB3 CYS 47 HB1 CYS 47 -2.054 0.430 8.054
315 H GLU 48 HN GLU 48 -0.930 3.149 5.543
316 HA GLU 48 HA GLU 48 0.826 1.012 4.945
317 HB2 GLU 48 HB2 GLU 48 1.389 2.165 2.896
318 HB3 GLU 48 HB1 GLU 48 -0.339 2.280 3.191
319 HG2 GLU 48 HG2 GLU 48 -0.282 4.527 3.486
320 HG3 GLU 48 HG1 GLU 48 1.356 4.515 4.141
321 H ASP 49 HN ASP 49 1.472 4.255 6.128
322 HA ASP 49 HA ASP 49 4.348 3.888 5.905
323 HB2 ASP 49 HB2 ASP 49 3.282 6.079 5.427
324 HB3 ASP 49 HB1 ASP 49 2.750 6.168 7.101
325 H HIS 50 HN HIS 50 1.905 3.246 8.146
326 HA HIS 50 HA HIS 50 3.904 2.891 10.266
327 HB2 HIS 50 HB2 HIS 50 1.514 3.201 11.642
328 HB3 HIS 50 HB1 HIS 50 2.818 4.368 11.554
329 HD1 HIS 50 HD1 HIS 50 -0.378 4.865 11.802
330 HD2 HIS 50 HD2 HIS 50 2.020 5.460 8.465
331 HE1 HIS 50 HE1 HIS 50 -1.554 6.611 10.431
332 HE2 HIS 50 HE2 HIS 50 -0.178 6.823 8.331
333 H CYS 51 HN CYS 51 3.197 0.881 8.462
334 HA CYS 51 HA CYS 51 1.174 -0.801 9.599
335 HB2 CYS 51 HB2 CYS 51 3.079 -1.022 7.345
336 HB3 CYS 51 HB1 CYS 51 2.589 -2.535 8.083
337 H HIS 52 HN HIS 52 2.364 -0.298 11.732
338 HA HIS 52 HA HIS 52 3.787 -2.725 12.506
339 HB2 HIS 52 HB2 HIS 52 5.429 -1.405 13.822
340 HB3 HIS 52 HB1 HIS 52 5.590 -1.133 12.093
341 HD1 HIS 52 HD1 HIS 52 2.886 0.697 13.932
342 HD2 HIS 52 HD2 HIS 52 6.772 1.372 12.620
343 HE1 HIS 52 HE1 HIS 52 3.253 3.172 14.160
344 HE2 HIS 52 HE2 HIS 52 5.524 3.580 13.146
345 H GLY 53 HN GLY 53 4.190 -2.344 15.089
346 HA2 GLY 53 HA2 GLY 53 3.180 -2.247 17.145
347 HA3 GLY 53 HA1 GLY 53 2.385 -0.801 16.548
348 H VAL 54 HN VAL 54 0.204 -0.854 16.269
349 HA VAL 54 HA VAL 54 -1.089 -3.367 16.865
350 HB VAL 54 HB VAL 54 -1.609 -1.029 17.905
351 HG11 VAL 54 HG11 VAL 54 -3.553 0.011 16.670
352 HG12 VAL 54 HG12 VAL 54 -3.059 -0.961 15.275
353 HG13 VAL 54 HG13 VAL 54 -1.954 0.249 15.961
354 HG21 VAL 54 HG21 VAL 54 -2.848 -3.244 18.196
355 HG22 VAL 54 HG22 VAL 54 -3.995 -2.614 17.011
356 HG23 VAL 54 HG23 VAL 54 -3.740 -1.761 18.534
357 H CYS 55 HN CYS 55 -0.089 -1.821 14.101
358 HA CYS 55 HA CYS 55 -2.339 -2.010 12.349
359 HB2 CYS 55 HB2 CYS 55 0.132 -1.037 12.045
360 HB3 CYS 55 HB1 CYS 55 0.418 -2.633 11.356
361 H LYS 56 HN LYS 56 -0.347 -4.338 13.880
362 HA LYS 56 HA LYS 56 -0.825 -6.507 12.036
363 HB2 LYS 56 HB2 LYS 56 1.196 -6.264 13.578
364 HB3 LYS 56 HB1 LYS 56 0.125 -6.696 14.901
365 HG2 LYS 56 HG2 LYS 56 -0.244 -8.865 13.998
366 HG3 LYS 56 HG1 LYS 56 0.570 -8.440 12.490
367 HD2 LYS 56 HD2 LYS 56 2.672 -8.151 13.707
368 HD3 LYS 56 HD1 LYS 56 1.859 -8.574 15.215
369 HE2 LYS 56 HE2 LYS 56 2.104 -10.378 12.803
370 HE3 LYS 56 HE1 LYS 56 3.114 -10.465 14.248
371 HZ1 LYS 56 HZ1 LYS 56 1.197 -12.056 14.177
372 HZ2 LYS 56 HZ2 LYS 56 0.157 -10.731 14.336
373 HZ3 LYS 56 HZ3 LYS 56 1.275 -11.088 15.565
374 H ASP 57 HN ASP 57 -2.172 -5.175 14.964
375 HA ASP 57 HA ASP 57 -4.106 -7.296 15.378
376 HB2 ASP 57 HB2 ASP 57 -3.053 -5.374 17.035
377 HB3 ASP 57 HB1 ASP 57 -4.578 -4.632 16.577
378 H LEU 58 HN LEU 58 -3.758 -4.225 13.889
379 HA LEU 58 HA LEU 58 -6.361 -3.451 13.306
380 HB2 LEU 58 HB2 LEU 58 -3.620 -2.810 12.688
381 HB3 LEU 58 HB1 LEU 58 -4.558 -2.730 11.250
382 HG LEU 58 HG LEU 58 -6.022 -1.018 12.291
383 HD11 LEU 58 HD11 LEU 58 -5.441 -1.944 14.645
384 HD12 LEU 58 HD12 LEU 58 -5.709 -0.214 14.425
385 HD13 LEU 58 HD13 LEU 58 -4.061 -0.841 14.540
386 HD21 LEU 58 HD21 LEU 58 -3.076 -0.412 12.403
387 HD22 LEU 58 HD22 LEU 58 -4.373 0.776 12.317
388 HD23 LEU 58 HD23 LEU 58 -4.099 -0.329 10.971
389 H HIS 59 HN HIS 59 -3.907 -5.089 11.302
390 HA HIS 59 HA HIS 59 -3.991 -6.673 9.691
391 HB2 HIS 59 HB2 HIS 59 -5.735 -7.657 11.457
392 HB3 HIS 59 HB1 HIS 59 -6.870 -7.304 10.158
393 HD1 HIS 59 HD1 HIS 59 -3.408 -8.901 10.210
394 HD2 HIS 59 HD2 HIS 59 -7.239 -9.558 8.728
395 HE1 HIS 59 HE1 HIS 59 -3.282 -11.082 8.958
396 HE2 HIS 59 HE2 HIS 59 -5.582 -11.399 7.964
397 H LEU 60 HN LEU 60 -3.839 -4.719 8.509
398 HA LEU 60 HA LEU 60 -6.083 -4.428 6.671
399 HB2 LEU 60 HB2 LEU 60 -6.539 -2.465 7.591
400 HB3 LEU 60 HB1 LEU 60 -5.217 -2.659 8.713
401 HG LEU 60 HG LEU 60 -5.194 -1.160 6.096
402 HD11 LEU 60 HD11 LEU 60 -4.582 -0.226 8.889
403 HD12 LEU 60 HD12 LEU 60 -6.216 -0.208 8.220
404 HD13 LEU 60 HD13 LEU 60 -4.945 0.744 7.456
405 HD21 LEU 60 HD21 LEU 60 -3.031 -1.663 5.999
406 HD22 LEU 60 HD22 LEU 60 -2.996 -2.284 7.671
407 HD23 LEU 60 HD23 LEU 60 -2.879 -0.541 7.356
408 H CYS 61 HN CYS 61 -2.784 -4.855 7.216
409 HA CYS 61 HA CYS 61 -2.235 -4.714 4.353
410 HB2 CYS 61 HB2 CYS 61 -0.024 -3.707 4.714
411 HB3 CYS 61 HB1 CYS 61 -1.300 -2.616 5.223
Start of MODEL 20
1 H1 ALA 1 HT1 ALA 1 1.903 2.951 1.182
2 H2 ALA 1 HT2 ALA 1 2.945 2.100 0.113
3 H3 ALA 1 HT3 ALA 1 2.791 1.592 1.745
4 HA ALA 1 HA ALA 1 1.591 0.313 -0.036
5 HB1 ALA 1 HB1 ALA 1 1.244 0.332 2.523
6 HB2 ALA 1 HB2 ALA 1 -0.016 -0.349 1.501
7 HB3 ALA 1 HB3 ALA 1 -0.199 1.273 2.160
8 H MET 2 HN MET 2 0.249 0.477 -1.722
9 HA MET 2 HA MET 2 -0.930 3.011 -2.350
10 HB2 MET 2 HB2 MET 2 0.035 1.552 -4.107
11 HB3 MET 2 HB1 MET 2 -1.220 0.363 -3.785
12 HG2 MET 2 HG2 MET 2 -2.926 1.954 -4.479
13 HG3 MET 2 HG1 MET 2 -1.682 3.170 -4.768
14 HE1 MET 2 HE1 MET 2 0.528 2.074 -5.796
15 HE2 MET 2 HE2 MET 2 0.103 2.789 -7.350
16 HE3 MET 2 HE3 MET 2 0.520 1.079 -7.251
17 H GLY 3 HN GLY 3 -2.435 -0.233 -2.329
18 HA2 GLY 3 HA2 GLY 3 -4.443 -0.920 -1.405
19 HA3 GLY 3 HA1 GLY 3 -4.444 0.548 -0.470
20 H LYS 4 HN LYS 4 -6.657 0.533 -0.800
21 HA LYS 4 HA LYS 4 -7.945 0.815 -3.298
22 HB2 LYS 4 HB2 LYS 4 -8.936 0.231 -1.033
23 HB3 LYS 4 HB1 LYS 4 -8.729 1.906 -0.600
24 HG2 LYS 4 HG2 LYS 4 -11.032 1.466 -1.260
25 HG3 LYS 4 HG1 LYS 4 -10.263 2.609 -2.356
26 HD2 LYS 4 HD2 LYS 4 -10.846 1.297 -4.059
27 HD3 LYS 4 HD1 LYS 4 -9.792 0.036 -3.407
28 HE2 LYS 4 HE2 LYS 4 -12.682 0.487 -2.668
29 HE3 LYS 4 HE1 LYS 4 -12.074 -0.786 -3.730
30 HZ1 LYS 4 HZ1 LYS 4 -12.474 -1.530 -1.424
31 HZ2 LYS 4 HZ2 LYS 4 -11.282 -0.467 -0.880
32 HZ3 LYS 4 HZ3 LYS 4 -10.873 -1.747 -1.908
33 H CYS 5 HN CYS 5 -6.078 2.762 -1.276
34 HA CYS 5 HA CYS 5 -6.922 5.340 -2.198
35 HB2 CYS 5 HB2 CYS 5 -4.967 4.183 -0.292
36 HB3 CYS 5 HB1 CYS 5 -4.594 5.785 -0.927
37 H SER 6 HN SER 6 -6.560 4.784 -4.536
38 HA SER 6 HA SER 6 -3.977 4.347 -5.605
39 HB2 SER 6 HB2 SER 6 -6.300 5.692 -6.993
40 HB3 SER 6 HB1 SER 6 -4.996 4.768 -7.740
41 HG SER 6 HG SER 6 -5.838 2.895 -6.754
42 H VAL 7 HN VAL 7 -3.619 6.295 -7.534
43 HA VAL 7 HA VAL 7 -2.112 8.229 -6.248
44 HB VAL 7 HB VAL 7 -1.699 7.875 -8.527
45 HG11 VAL 7 HG11 VAL 7 -4.608 8.257 -8.877
46 HG12 VAL 7 HG12 VAL 7 -3.569 6.955 -9.463
47 HG13 VAL 7 HG13 VAL 7 -3.526 8.547 -10.242
48 HG21 VAL 7 HG21 VAL 7 -2.866 10.336 -9.325
49 HG22 VAL 7 HG22 VAL 7 -1.190 10.003 -8.903
50 HG23 VAL 7 HG23 VAL 7 -2.337 10.481 -7.653
51 H LEU 8 HN LEU 8 -5.262 8.769 -7.775
52 HA LEU 8 HA LEU 8 -5.562 11.349 -6.507
53 HB2 LEU 8 HB2 LEU 8 -7.633 11.551 -7.664
54 HB3 LEU 8 HB1 LEU 8 -6.492 10.811 -8.772
55 HG LEU 8 HG LEU 8 -8.507 9.189 -7.212
56 HD11 LEU 8 HD11 LEU 8 -9.120 9.530 -10.013
57 HD12 LEU 8 HD12 LEU 8 -9.127 11.076 -9.161
58 HD13 LEU 8 HD13 LEU 8 -10.150 9.752 -8.594
59 HD21 LEU 8 HD21 LEU 8 -6.586 8.659 -9.430
60 HD22 LEU 8 HD22 LEU 8 -8.099 7.761 -9.380
61 HD23 LEU 8 HD23 LEU 8 -6.980 7.674 -8.025
62 H LYS 9 HN LYS 9 -6.480 8.089 -5.756
63 HA LYS 9 HA LYS 9 -8.530 8.848 -3.891
64 HB2 LYS 9 HB2 LYS 9 -7.156 6.172 -4.161
65 HB3 LYS 9 HB1 LYS 9 -8.717 6.503 -3.445
66 HG2 LYS 9 HG2 LYS 9 -8.243 7.117 -6.328
67 HG3 LYS 9 HG1 LYS 9 -8.600 5.471 -5.809
68 HD2 LYS 9 HD2 LYS 9 -10.343 7.757 -4.954
69 HD3 LYS 9 HD1 LYS 9 -10.552 7.000 -6.540
70 HE2 LYS 9 HE2 LYS 9 -10.764 4.801 -5.409
71 HE3 LYS 9 HE1 LYS 9 -10.678 5.629 -3.856
72 HZ1 LYS 9 HZ1 LYS 9 -12.692 6.892 -4.553
73 HZ2 LYS 9 HZ2 LYS 9 -12.956 5.229 -4.351
74 HZ3 LYS 9 HZ3 LYS 9 -12.812 5.884 -5.910
75 H LYS 10 HN LYS 10 -5.158 8.754 -3.876
76 HA LYS 10 HA LYS 10 -4.751 8.069 -1.114
77 HB2 LYS 10 HB2 LYS 10 -3.001 7.756 -2.908
78 HB3 LYS 10 HB1 LYS 10 -2.851 9.504 -2.996
79 HG2 LYS 10 HG2 LYS 10 -2.175 9.531 -0.608
80 HG3 LYS 10 HG1 LYS 10 -2.224 7.767 -0.612
81 HD2 LYS 10 HD2 LYS 10 -0.529 9.355 -2.529
82 HD3 LYS 10 HD1 LYS 10 0.055 8.842 -0.947
83 HE2 LYS 10 HE2 LYS 10 -1.003 6.985 -3.079
84 HE3 LYS 10 HE1 LYS 10 0.704 7.314 -2.796
85 HZ1 LYS 10 HZ1 LYS 10 -1.032 6.306 -0.626
86 HZ2 LYS 10 HZ2 LYS 10 0.650 6.235 -0.750
87 HZ3 LYS 10 HZ3 LYS 10 -0.308 5.249 -1.730
88 H VAL 11 HN VAL 11 -5.816 10.758 -2.812
89 HA VAL 11 HA VAL 11 -4.907 12.762 -0.952
90 HB VAL 11 HB VAL 11 -5.782 12.732 -3.571
91 HG11 VAL 11 HG11 VAL 11 -8.021 12.818 -3.464
92 HG12 VAL 11 HG12 VAL 11 -7.693 14.544 -3.298
93 HG13 VAL 11 HG13 VAL 11 -8.038 13.572 -1.865
94 HG21 VAL 11 HG21 VAL 11 -5.093 14.903 -3.644
95 HG22 VAL 11 HG22 VAL 11 -4.319 14.349 -2.157
96 HG23 VAL 11 HG23 VAL 11 -5.802 15.300 -2.080
97 H ALA 12 HN ALA 12 -7.508 10.611 -1.424
98 HA ALA 12 HA ALA 12 -9.366 11.958 0.318
99 HB1 ALA 12 HB1 ALA 12 -10.918 10.736 -0.693
100 HB2 ALA 12 HB2 ALA 12 -10.065 9.228 -0.362
101 HB3 ALA 12 HB3 ALA 12 -9.638 10.190 -1.777
102 H CYS 13 HN CYS 13 -6.747 9.807 0.915
103 HA CYS 13 HA CYS 13 -7.995 8.343 3.032
104 HB2 CYS 13 HB2 CYS 13 -5.700 7.829 3.863
105 HB3 CYS 13 HB1 CYS 13 -5.972 7.371 2.180
106 H ALA 14 HN ALA 14 -6.694 11.501 2.744
107 HA ALA 14 HA ALA 14 -6.344 11.892 5.559
108 HB1 ALA 14 HB1 ALA 14 -6.353 13.751 3.187
109 HB2 ALA 14 HB2 ALA 14 -5.001 13.297 4.224
110 HB3 ALA 14 HB3 ALA 14 -6.266 14.356 4.843
111 H ALA 15 HN ALA 15 -8.920 12.224 3.234
112 HA ALA 15 HA ALA 15 -10.592 13.747 5.003
113 HB1 ALA 15 HB1 ALA 15 -11.158 12.337 2.404
114 HB2 ALA 15 HB2 ALA 15 -10.950 14.072 2.663
115 HB3 ALA 15 HB3 ALA 15 -12.372 13.246 3.309
116 H ALA 16 HN ALA 16 -9.868 10.474 4.387
117 HA ALA 16 HA ALA 16 -12.211 9.477 5.751
118 HB1 ALA 16 HB1 ALA 16 -10.682 7.282 5.272
119 HB2 ALA 16 HB2 ALA 16 -10.178 8.359 3.972
120 HB3 ALA 16 HB3 ALA 16 -11.884 7.942 4.159
121 H ILE 17 HN ILE 17 -8.636 9.161 6.202
122 HA ILE 17 HA ILE 17 -9.242 8.182 8.839
123 HB ILE 17 HB ILE 17 -7.490 7.132 7.248
124 HG12 ILE 17 HG12 ILE 17 -6.907 5.922 9.053
125 HG13 ILE 17 HG11 ILE 17 -6.367 7.341 9.944
126 HG21 ILE 17 HG21 ILE 17 -5.297 8.143 8.661
127 HG22 ILE 17 HG22 ILE 17 -6.121 9.533 7.902
128 HG23 ILE 17 HG23 ILE 17 -5.580 8.171 6.895
129 HD11 ILE 17 HD11 ILE 17 -9.210 6.461 9.576
130 HD12 ILE 17 HD12 ILE 17 -8.675 7.899 10.448
131 HD13 ILE 17 HD13 ILE 17 -8.233 6.300 11.032
132 H ALA 18 HN ALA 18 -7.729 11.113 7.517
133 HA ALA 18 HA ALA 18 -6.688 11.989 10.001
134 HB1 ALA 18 HB1 ALA 18 -7.045 14.327 8.999
135 HB2 ALA 18 HB2 ALA 18 -7.578 13.462 7.551
136 HB3 ALA 18 HB3 ALA 18 -5.941 13.227 8.168
137 H GLY 19 HN GLY 19 -9.834 11.674 8.758
138 HA2 GLY 19 HA2 GLY 19 -11.091 13.443 10.694
139 HA3 GLY 19 HA1 GLY 19 -11.914 12.465 9.486
140 H ALA 20 HN ALA 20 -10.537 9.966 10.232
141 HA ALA 20 HA ALA 20 -12.265 9.222 12.400
142 HB1 ALA 20 HB1 ALA 20 -11.576 6.987 12.078
143 HB2 ALA 20 HB2 ALA 20 -10.121 7.475 11.214
144 HB3 ALA 20 HB3 ALA 20 -11.707 7.693 10.470
145 H VAL 21 HN VAL 21 -8.825 9.733 11.948
146 HA VAL 21 HA VAL 21 -8.016 8.811 14.502
147 HB VAL 21 HB VAL 21 -5.979 10.031 14.190
148 HG11 VAL 21 HG11 VAL 21 -6.885 8.132 12.385
149 HG12 VAL 21 HG12 VAL 21 -5.210 8.617 12.650
150 HG13 VAL 21 HG13 VAL 21 -6.160 9.387 11.378
151 HG21 VAL 21 HG21 VAL 21 -7.078 11.382 11.763
152 HG22 VAL 21 HG22 VAL 21 -5.558 11.695 12.603
153 HG23 VAL 21 HG23 VAL 21 -7.090 12.113 13.373
154 H ALA 22 HN ALA 22 -9.097 11.812 13.190
155 HA ALA 22 HA ALA 22 -8.778 13.529 15.372
156 HB1 ALA 22 HB1 ALA 22 -9.534 14.982 13.870
157 HB2 ALA 22 HB2 ALA 22 -11.123 14.223 13.899
158 HB3 ALA 22 HB3 ALA 22 -9.891 13.642 12.779
159 H ALA 23 HN ALA 23 -11.261 11.184 14.577
160 HA ALA 23 HA ALA 23 -13.164 12.078 16.498
161 HB1 ALA 23 HB1 ALA 23 -12.970 9.958 14.551
162 HB2 ALA 23 HB2 ALA 23 -14.401 10.710 15.252
163 HB3 ALA 23 HB3 ALA 23 -13.623 9.361 16.074
164 H CYS 24 HN CYS 24 -10.290 10.201 16.627
165 HA CYS 24 HA CYS 24 -10.955 9.152 19.279
166 HB2 CYS 24 HB2 CYS 24 -9.985 7.641 17.530
167 HB3 CYS 24 HB1 CYS 24 -8.511 8.603 17.587
168 H GLY 25 HN GLY 25 -8.597 11.229 17.606
169 HA2 GLY 25 HA2 GLY 25 -8.162 13.229 19.206
170 HA3 GLY 25 HA1 GLY 25 -7.458 11.968 20.202
171 H GLY 26 HN GLY 26 -6.622 10.613 17.617
172 HA2 GLY 26 HA2 GLY 26 -4.836 12.170 16.160
173 HA3 GLY 26 HA1 GLY 26 -3.962 11.564 17.561
174 H ILE 27 HN ILE 27 -2.675 10.486 15.805
175 HA ILE 27 HA ILE 27 -3.914 8.346 14.352
176 HB ILE 27 HB ILE 27 -1.038 9.165 14.716
177 HG12 ILE 27 HG12 ILE 27 -2.669 10.321 13.138
178 HG13 ILE 27 HG11 ILE 27 -1.188 9.711 12.405
179 HG21 ILE 27 HG21 ILE 27 -2.025 6.795 13.113
180 HG22 ILE 27 HG22 ILE 27 -1.170 6.669 14.659
181 HG23 ILE 27 HG23 ILE 27 -0.357 7.364 13.253
182 HD11 ILE 27 HD11 ILE 27 -2.338 8.413 11.014
183 HD12 ILE 27 HD12 ILE 27 -3.812 9.187 11.592
184 HD13 ILE 27 HD13 ILE 27 -3.248 7.682 12.345
185 H ASP 28 HN ASP 28 -4.937 7.131 15.866
186 HA ASP 28 HA ASP 28 -3.197 5.399 17.501
187 HB2 ASP 28 HB2 ASP 28 -5.065 6.842 18.717
188 HB3 ASP 28 HB1 ASP 28 -6.155 5.654 18.020
189 H LEU 29 HN LEU 29 -2.838 4.099 15.726
190 HA LEU 29 HA LEU 29 -4.543 3.490 13.793
191 HB2 LEU 29 HB2 LEU 29 -3.193 1.394 13.401
192 HB3 LEU 29 HB1 LEU 29 -2.374 2.926 13.372
193 HG LEU 29 HG LEU 29 -2.268 1.028 15.729
194 HD11 LEU 29 HD11 LEU 29 -0.051 1.530 13.764
195 HD12 LEU 29 HD12 LEU 29 -1.231 0.237 13.510
196 HD13 LEU 29 HD13 LEU 29 -0.214 0.232 14.950
197 HD21 LEU 29 HD21 LEU 29 -1.795 3.310 16.370
198 HD22 LEU 29 HD22 LEU 29 -0.674 3.490 15.021
199 HD23 LEU 29 HD23 LEU 29 -0.295 2.389 16.341
200 HA PRO 30 HA PRO 30 -6.526 -0.319 15.831
201 HB2 PRO 30 HB2 PRO 30 -6.716 -0.412 18.523
202 HB3 PRO 30 HB1 PRO 30 -5.353 -1.124 17.649
203 HG2 PRO 30 HG2 PRO 30 -5.521 1.486 19.103
204 HG3 PRO 30 HG1 PRO 30 -4.194 0.307 19.065
205 HD2 PRO 30 HD2 PRO 30 -4.236 2.602 17.572
206 HD3 PRO 30 HD1 PRO 30 -3.361 1.133 17.097
207 H CYS 31 HN CYS 31 -6.654 2.874 17.129
208 HA CYS 31 HA CYS 31 -9.398 2.788 17.975
209 HB2 CYS 31 HB2 CYS 31 -7.461 4.235 18.916
210 HB3 CYS 31 HB1 CYS 31 -7.776 5.271 17.541
211 H VAL 32 HN VAL 32 -7.589 4.470 15.393
212 HA VAL 32 HA VAL 32 -9.874 5.729 14.294
213 HB VAL 32 HB VAL 32 -8.503 6.626 12.675
214 HG11 VAL 32 HG11 VAL 32 -6.568 5.717 14.764
215 HG12 VAL 32 HG12 VAL 32 -7.635 7.114 14.865
216 HG13 VAL 32 HG13 VAL 32 -6.355 7.070 13.657
217 HG21 VAL 32 HG21 VAL 32 -7.980 4.641 11.435
218 HG22 VAL 32 HG22 VAL 32 -6.815 4.138 12.684
219 HG23 VAL 32 HG23 VAL 32 -6.517 5.603 11.719
220 H LEU 33 HN LEU 33 -8.408 2.593 13.585
221 HA LEU 33 HA LEU 33 -10.066 2.309 11.268
222 HB2 LEU 33 HB2 LEU 33 -7.871 0.805 12.452
223 HB3 LEU 33 HB1 LEU 33 -9.093 -0.184 11.666
224 HG LEU 33 HG LEU 33 -7.800 2.194 10.330
225 HD11 LEU 33 HD11 LEU 33 -6.051 0.982 9.714
226 HD12 LEU 33 HD12 LEU 33 -7.096 -0.355 9.218
227 HD13 LEU 33 HD13 LEU 33 -6.555 -0.235 10.895
228 HD21 LEU 33 HD21 LEU 33 -9.150 1.782 8.611
229 HD22 LEU 33 HD22 LEU 33 -10.102 0.822 9.747
230 HD23 LEU 33 HD23 LEU 33 -8.898 0.037 8.722
231 H ALA 34 HN ALA 34 -11.446 2.719 13.702
232 HA ALA 34 HA ALA 34 -13.014 0.241 13.922
233 HB1 ALA 34 HB1 ALA 34 -12.980 0.770 16.124
234 HB2 ALA 34 HB2 ALA 34 -14.085 2.081 15.709
235 HB3 ALA 34 HB3 ALA 34 -12.351 2.386 15.799
236 H ALA 35 HN ALA 35 -12.891 3.609 13.125
237 HA ALA 35 HA ALA 35 -15.586 3.538 11.955
238 HB1 ALA 35 HB1 ALA 35 -14.725 6.137 11.768
239 HB2 ALA 35 HB2 ALA 35 -14.027 5.608 13.297
240 HB3 ALA 35 HB3 ALA 35 -15.766 5.495 13.036
241 H LEU 36 HN LEU 36 -12.165 4.163 11.381
242 HA LEU 36 HA LEU 36 -12.381 5.014 8.681
243 HB2 LEU 36 HB2 LEU 36 -10.300 5.439 9.829
244 HB3 LEU 36 HB1 LEU 36 -10.100 3.728 10.194
245 HG LEU 36 HG LEU 36 -10.032 3.343 7.674
246 HD11 LEU 36 HD11 LEU 36 -9.626 5.120 6.264
247 HD12 LEU 36 HD12 LEU 36 -9.389 6.249 7.620
248 HD13 LEU 36 HD13 LEU 36 -10.999 5.593 7.265
249 HD21 LEU 36 HD21 LEU 36 -8.010 3.632 9.324
250 HD22 LEU 36 HD22 LEU 36 -7.758 5.097 8.355
251 HD23 LEU 36 HD23 LEU 36 -7.790 3.500 7.561
252 H LYS 37 HN LYS 37 -12.588 1.957 10.228
253 HA LYS 37 HA LYS 37 -11.527 0.422 8.184
254 HB2 LYS 37 HB2 LYS 37 -12.287 -0.265 10.597
255 HB3 LYS 37 HB1 LYS 37 -13.856 -0.555 9.860
256 HG2 LYS 37 HG2 LYS 37 -12.642 -2.623 10.034
257 HG3 LYS 37 HG1 LYS 37 -12.815 -2.189 8.331
258 HD2 LYS 37 HD2 LYS 37 -10.560 -1.499 8.181
259 HD3 LYS 37 HD1 LYS 37 -10.364 -1.499 9.937
260 HE2 LYS 37 HE2 LYS 37 -10.851 -3.943 8.235
261 HE3 LYS 37 HE1 LYS 37 -9.277 -3.431 8.850
262 HZ1 LYS 37 HZ1 LYS 37 -9.919 -4.944 10.430
263 HZ2 LYS 37 HZ2 LYS 37 -11.563 -4.567 10.312
264 HZ3 LYS 37 HZ3 LYS 37 -10.513 -3.521 11.130
265 H ALA 38 HN ALA 38 -14.397 2.234 8.280
266 HA ALA 38 HA ALA 38 -15.975 0.781 6.401
267 HB1 ALA 38 HB1 ALA 38 -17.182 2.338 7.697
268 HB2 ALA 38 HB2 ALA 38 -17.090 3.076 6.096
269 HB3 ALA 38 HB3 ALA 38 -16.017 3.627 7.383
270 H ALA 39 HN ALA 39 -13.268 2.902 6.274
271 HA ALA 39 HA ALA 39 -13.450 3.589 3.471
272 HB1 ALA 39 HB1 ALA 39 -12.089 5.186 4.306
273 HB2 ALA 39 HB2 ALA 39 -10.814 3.964 4.196
274 HB3 ALA 39 HB3 ALA 39 -11.664 4.213 5.715
275 H GLU 40 HN GLU 40 -13.857 1.290 3.008
276 HA GLU 40 HA GLU 40 -12.377 -0.895 3.337
277 HB2 GLU 40 HB2 GLU 40 -14.473 -0.635 2.021
278 HB3 GLU 40 HB1 GLU 40 -13.503 -0.067 0.670
279 HG2 GLU 40 HG2 GLU 40 -12.388 -2.201 0.530
280 HG3 GLU 40 HG1 GLU 40 -13.255 -2.772 1.958
281 H GLY 41 HN GLY 41 -10.170 -0.630 3.534
282 HA2 GLY 41 HA2 GLY 41 -8.051 -0.945 2.708
283 HA3 GLY 41 HA1 GLY 41 -8.725 -0.915 1.092
284 H CYS 42 HN CYS 42 -9.220 1.920 3.216
285 HA CYS 42 HA CYS 42 -7.125 3.157 1.549
286 HB2 CYS 42 HB2 CYS 42 -9.813 4.068 1.893
287 HB3 CYS 42 HB1 CYS 42 -8.713 5.237 2.623
288 H ALA 43 HN ALA 43 -7.763 1.836 4.236
289 HA ALA 43 HA ALA 43 -6.578 3.592 6.179
290 HB1 ALA 43 HB1 ALA 43 -8.224 1.617 6.500
291 HB2 ALA 43 HB2 ALA 43 -6.885 1.792 7.642
292 HB3 ALA 43 HB3 ALA 43 -6.784 0.607 6.337
293 H SER 44 HN SER 44 -5.790 1.644 3.618
294 HA SER 44 HA SER 44 -3.242 0.649 4.213
295 HB2 SER 44 HB2 SER 44 -4.513 -0.206 2.324
296 HB3 SER 44 HB1 SER 44 -4.598 1.394 1.584
297 HG SER 44 HG SER 44 -2.795 -0.422 1.126
298 H CYS 45 HN CYS 45 -4.475 3.771 3.435
299 HA CYS 45 HA CYS 45 -1.906 4.979 2.772
300 HB2 CYS 45 HB2 CYS 45 -4.157 5.773 1.853
301 HB3 CYS 45 HB1 CYS 45 -4.503 6.375 3.472
302 H PHE 46 HN PHE 46 -4.175 4.721 5.383
303 HA PHE 46 HA PHE 46 -3.094 6.526 7.215
304 HB2 PHE 46 HB2 PHE 46 -5.256 5.810 7.670
305 HB3 PHE 46 HB1 PHE 46 -4.886 4.125 7.329
306 HD1 PHE 46 HD1 PHE 46 -4.440 6.820 9.910
307 HD2 PHE 46 HD2 PHE 46 -4.410 2.650 9.008
308 HE1 PHE 46 HE1 PHE 46 -4.306 6.318 12.234
309 HE2 PHE 46 HE2 PHE 46 -4.297 2.152 11.376
310 HZ PHE 46 HZ PHE 46 -4.229 3.964 13.003
311 H CYS 47 HN CYS 47 -2.803 2.936 7.339
312 HA CYS 47 HA CYS 47 -0.680 3.046 9.227
313 HB2 CYS 47 HB2 CYS 47 -2.145 1.092 8.953
314 HB3 CYS 47 HB1 CYS 47 -1.386 0.758 7.399
315 H GLU 48 HN GLU 48 -0.257 4.165 6.180
316 HA GLU 48 HA GLU 48 1.992 2.762 5.239
317 HB2 GLU 48 HB2 GLU 48 1.002 5.555 4.816
318 HB3 GLU 48 HB1 GLU 48 2.601 5.110 4.238
319 HG2 GLU 48 HG2 GLU 48 1.535 3.251 2.965
320 HG3 GLU 48 HG1 GLU 48 -0.032 3.909 3.429
321 H ASP 49 HN ASP 49 1.825 5.616 7.343
322 HA ASP 49 HA ASP 49 4.662 5.801 7.633
323 HB2 ASP 49 HB2 ASP 49 3.103 7.732 7.829
324 HB3 ASP 49 HB1 ASP 49 2.507 7.054 9.340
325 H HIS 50 HN HIS 50 2.099 4.308 9.523
326 HA HIS 50 HA HIS 50 4.154 3.376 11.418
327 HB2 HIS 50 HB2 HIS 50 2.104 3.119 12.986
328 HB3 HIS 50 HB1 HIS 50 2.776 4.726 12.715
329 HD1 HIS 50 HD1 HIS 50 -0.051 2.543 11.474
330 HD2 HIS 50 HD2 HIS 50 1.021 6.541 11.737
331 HE1 HIS 50 HE1 HIS 50 -2.076 3.840 10.711
332 HE2 HIS 50 HE2 HIS 50 -1.299 6.240 10.646
333 H CYS 51 HN CYS 51 4.261 1.741 9.567
334 HA CYS 51 HA CYS 51 2.238 -0.314 9.575
335 HB2 CYS 51 HB2 CYS 51 3.335 0.057 7.482
336 HB3 CYS 51 HB1 CYS 51 4.929 -0.076 8.214
337 H HIS 52 HN HIS 52 2.394 -0.646 11.934
338 HA HIS 52 HA HIS 52 3.922 -2.958 12.573
339 HB2 HIS 52 HB2 HIS 52 5.283 -1.957 14.388
340 HB3 HIS 52 HB1 HIS 52 5.720 -1.327 12.805
341 HD1 HIS 52 HD1 HIS 52 5.553 1.158 12.441
342 HD2 HIS 52 HD2 HIS 52 3.787 -0.073 16.008
343 HE1 HIS 52 HE1 HIS 52 4.941 3.273 13.671
344 HE2 HIS 52 HE2 HIS 52 3.663 2.494 15.705
345 H GLY 53 HN GLY 53 3.914 -3.061 15.197
346 HA2 GLY 53 HA2 GLY 53 2.625 -3.433 17.039
347 HA3 GLY 53 HA1 GLY 53 1.887 -1.887 16.671
348 H VAL 54 HN VAL 54 -0.206 -1.903 16.373
349 HA VAL 54 HA VAL 54 -1.600 -4.406 16.166
350 HB VAL 54 HB VAL 54 -2.201 -2.465 17.713
351 HG11 VAL 54 HG11 VAL 54 -3.679 -0.754 16.710
352 HG12 VAL 54 HG12 VAL 54 -3.252 -1.384 15.118
353 HG13 VAL 54 HG13 VAL 54 -2.013 -0.668 16.143
354 HG21 VAL 54 HG21 VAL 54 -4.605 -2.849 17.530
355 HG22 VAL 54 HG22 VAL 54 -3.695 -4.355 17.383
356 HG23 VAL 54 HG23 VAL 54 -4.370 -3.589 15.944
357 H CYS 55 HN CYS 55 -0.250 -2.438 13.877
358 HA CYS 55 HA CYS 55 -2.392 -2.212 11.997
359 HB2 CYS 55 HB2 CYS 55 -0.222 -0.944 11.835
360 HB3 CYS 55 HB1 CYS 55 0.554 -2.449 11.345
361 H LYS 56 HN LYS 56 -0.586 -4.738 13.203
362 HA LYS 56 HA LYS 56 -0.823 -6.541 10.961
363 HB2 LYS 56 HB2 LYS 56 1.041 -7.067 12.227
364 HB3 LYS 56 HB1 LYS 56 0.276 -6.615 13.739
365 HG2 LYS 56 HG2 LYS 56 -1.015 -8.690 13.714
366 HG3 LYS 56 HG1 LYS 56 -0.255 -9.139 12.186
367 HD2 LYS 56 HD2 LYS 56 1.618 -9.833 13.204
368 HD3 LYS 56 HD1 LYS 56 1.680 -8.408 14.243
369 HE2 LYS 56 HE2 LYS 56 -0.084 -10.818 14.682
370 HE3 LYS 56 HE1 LYS 56 1.432 -10.494 15.520
371 HZ1 LYS 56 HZ1 LYS 56 -0.439 -8.309 15.650
372 HZ2 LYS 56 HZ2 LYS 56 0.450 -9.047 16.887
373 HZ3 LYS 56 HZ3 LYS 56 -1.023 -9.727 16.376
374 H ASP 57 HN ASP 57 -2.634 -5.486 13.675
375 HA ASP 57 HA ASP 57 -4.437 -7.754 13.693
376 HB2 ASP 57 HB2 ASP 57 -3.637 -5.946 15.611
377 HB3 ASP 57 HB1 ASP 57 -5.257 -5.389 15.201
378 H LEU 58 HN LEU 58 -4.707 -4.213 12.968
379 HA LEU 58 HA LEU 58 -7.393 -4.569 12.104
380 HB2 LEU 58 HB2 LEU 58 -7.268 -2.243 11.189
381 HB3 LEU 58 HB1 LEU 58 -7.000 -2.429 12.902
382 HG LEU 58 HG LEU 58 -5.597 -0.741 11.437
383 HD11 LEU 58 HD11 LEU 58 -3.615 -1.318 13.084
384 HD12 LEU 58 HD12 LEU 58 -4.871 -2.295 13.841
385 HD13 LEU 58 HD13 LEU 58 -5.116 -0.558 13.615
386 HD21 LEU 58 HD21 LEU 58 -4.787 -2.839 10.099
387 HD22 LEU 58 HD22 LEU 58 -3.613 -2.930 11.417
388 HD23 LEU 58 HD23 LEU 58 -3.725 -1.472 10.432
389 H HIS 59 HN HIS 59 -4.565 -5.395 10.685
390 HA HIS 59 HA HIS 59 -4.009 -6.402 8.752
391 HB2 HIS 59 HB2 HIS 59 -6.978 -6.259 8.308
392 HB3 HIS 59 HB1 HIS 59 -5.882 -7.028 7.166
393 HD1 HIS 59 HD1 HIS 59 -7.850 -8.910 8.181
394 HD2 HIS 59 HD2 HIS 59 -4.393 -8.073 10.348
395 HE1 HIS 59 HE1 HIS 59 -7.529 -10.866 9.739
396 HE2 HIS 59 HE2 HIS 59 -5.508 -10.273 11.134
397 H LEU 60 HN LEU 60 -2.871 -4.298 8.293
398 HA LEU 60 HA LEU 60 -3.905 -3.255 5.735
399 HB2 LEU 60 HB2 LEU 60 -2.289 -1.615 7.676
400 HB3 LEU 60 HB1 LEU 60 -3.030 -1.073 6.182
401 HG LEU 60 HG LEU 60 -4.398 -1.773 8.756
402 HD11 LEU 60 HD11 LEU 60 -3.878 0.362 9.068
403 HD12 LEU 60 HD12 LEU 60 -5.282 0.639 8.030
404 HD13 LEU 60 HD13 LEU 60 -3.654 0.670 7.344
405 HD21 LEU 60 HD21 LEU 60 -5.454 -1.673 5.999
406 HD22 LEU 60 HD22 LEU 60 -6.397 -0.849 7.249
407 HD23 LEU 60 HD23 LEU 60 -6.024 -2.570 7.418
408 H CYS 61 HN CYS 61 -0.980 -3.025 7.707
409 HA CYS 61 HA CYS 61 0.596 -4.026 5.439
410 HB2 CYS 61 HB2 CYS 61 0.878 -1.621 5.529
411 HB3 CYS 61 HB1 CYS 61 1.205 -1.684 7.255
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