Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22108 | 2jm2 RC | 7262 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1HT ALA 1 37.840 47.537 -6.843
2 2H ALA 1 2HT ALA 1 37.994 49.000 -7.689
3 3H ALA 1 3HT ALA 1 38.608 47.560 -8.355
4 HA ALA 1 HA ALA 1 35.718 48.108 -7.844
5 1HB ALA 1 1HB ALA 1 35.764 48.191 -10.405
6 2HB ALA 1 2HB ALA 1 37.523 48.244 -10.287
7 3HB ALA 1 3HB ALA 1 36.551 49.541 -9.593
8 H LEU 2 H LEU 2 34.615 46.486 -9.650
9 HA LEU 2 HA LEU 2 35.908 43.817 -9.360
10 1HB LEU 2 2HB LEU 2 33.170 44.795 -8.613
11 2HB LEU 2 1HB LEU 2 33.362 43.118 -9.115
12 HG LEU 2 HG LEU 2 35.065 44.393 -6.958
13 1HD1 LEU 2 1HD1 LEU 2 32.466 42.857 -6.764
14 2HD1 LEU 2 2HD1 LEU 2 32.818 44.460 -6.121
15 3HD1 LEU 2 3HD1 LEU 2 33.574 43.038 -5.405
16 1HD2 LEU 2 1HD2 LEU 2 34.591 41.580 -7.964
17 2HD2 LEU 2 2HD2 LEU 2 35.268 41.888 -6.365
18 3HD2 LEU 2 3HD2 LEU 2 36.123 42.437 -7.805
19 H ALA 3 H ALA 3 36.309 43.128 -11.438
20 HA ALA 3 HA ALA 3 34.590 44.045 -13.652
21 1HB ALA 3 1HB ALA 3 37.085 42.322 -13.683
22 2HB ALA 3 2HB ALA 3 37.119 44.088 -13.664
23 3HB ALA 3 3HB ALA 3 36.404 43.234 -15.031
24 H ARG 4 H ARG 4 33.117 42.342 -12.055
25 HA ARG 4 HA ARG 4 32.539 40.127 -13.852
26 1HB ARG 4 2HB ARG 4 34.552 39.607 -12.174
27 2HB ARG 4 1HB ARG 4 33.223 39.286 -11.059
28 1HG ARG 4 2HG ARG 4 32.305 37.596 -12.501
29 2HG ARG 4 1HG ARG 4 33.381 38.053 -13.823
30 1HD ARG 4 2HD ARG 4 34.365 36.085 -12.851
31 2HD ARG 4 1HD ARG 4 35.323 37.443 -12.234
32 HE ARG 4 HE ARG 4 34.233 37.234 -10.101
33 1HH1 ARG 4 1HH2 ARG 4 33.010 34.988 -12.472
34 2HH1 ARG 4 2HH2 ARG 4 32.212 34.004 -11.297
35 1HH2 ARG 4 1HH1 ARG 4 33.180 35.944 -8.589
36 2HH2 ARG 4 2HH1 ARG 4 32.304 34.546 -9.106
37 H CYS 5 H CYS 5 30.367 39.624 -13.657
38 HA CYS 5 HA CYS 5 28.798 41.053 -11.601
39 1HB CYS 5 2HB CYS 5 27.811 41.193 -13.704
40 2HB CYS 5 1HB CYS 5 28.318 39.571 -14.164
41 HA PRO 6 HA PRO 6 28.817 37.230 -9.254
42 1HB PRO 6 2HB PRO 6 27.860 38.321 -6.932
43 2HB PRO 6 1HB PRO 6 29.551 38.467 -7.444
44 1HG PRO 6 2HG PRO 6 27.393 40.459 -7.476
45 2HG PRO 6 1HG PRO 6 29.143 40.678 -7.346
46 1HD PRO 6 2HD PRO 6 27.580 41.066 -9.649
47 2HD PRO 6 1HD PRO 6 29.353 40.998 -9.563
48 H GLY 7 H GLY 7 27.109 35.788 -8.576
49 1HA GLY 7 2HA GLY 7 24.853 35.137 -8.107
50 2HA GLY 7 1HA GLY 7 24.331 36.772 -8.504
51 H CYS 8 H CYS 8 25.360 37.094 -11.080
52 HA CYS 8 HA CYS 8 23.490 35.446 -12.616
53 1HB CYS 8 2HB CYS 8 24.107 36.946 -14.416
54 2HB CYS 8 1HB CYS 8 23.983 37.905 -12.943
55 H GLY 9 H GLY 9 24.627 34.802 -14.954
56 1HA GLY 9 2HA GLY 9 26.896 33.853 -15.716
57 2HA GLY 9 1HA GLY 9 26.849 32.942 -14.203
58 H GLN 10 H GLN 10 25.990 30.913 -14.365
59 HA GLN 10 HA GLN 10 23.643 30.368 -15.990
60 1HB GLN 10 2HB GLN 10 25.445 30.470 -17.685
61 2HB GLN 10 1HB GLN 10 26.342 29.232 -16.805
62 1HG GLN 10 2HG GLN 10 25.204 28.045 -18.519
63 2HG GLN 10 1HG GLN 10 24.235 27.766 -17.072
64 1HE2 GLN 10 1HE2 GLN 10 22.188 29.040 -16.867
65 2HE2 GLN 10 2HE2 GLN 10 21.466 29.705 -18.250
66 H GLY 11 H GLY 11 26.382 28.215 -15.157
67 1HA GLY 11 2HA GLY 11 24.796 26.138 -14.093
68 2HA GLY 11 1HA GLY 11 26.497 26.376 -13.711
69 H VAL 12 H VAL 12 25.849 29.118 -12.553
70 HA VAL 12 HA VAL 12 25.160 28.137 -9.850
71 HB VAL 12 HB VAL 12 25.934 30.901 -10.854
72 1HG1 VAL 12 1HG1 VAL 12 26.462 31.396 -8.576
73 2HG1 VAL 12 2HG1 VAL 12 26.336 29.702 -8.102
74 3HG1 VAL 12 3HG1 VAL 12 24.885 30.608 -8.527
75 1HG2 VAL 12 1HG2 VAL 12 27.547 28.463 -10.153
76 2HG2 VAL 12 2HG2 VAL 12 28.197 30.062 -9.791
77 3HG2 VAL 12 3HG2 VAL 12 27.796 29.631 -11.452
78 H GLN 13 H GLN 13 24.025 30.784 -11.993
79 HA GLN 13 HA GLN 13 21.727 31.422 -10.403
80 1HB GLN 13 2HB GLN 13 21.039 32.633 -12.543
81 2HB GLN 13 1HB GLN 13 22.627 33.055 -11.905
82 1HG GLN 13 2HG GLN 13 23.538 32.485 -13.887
83 2HG GLN 13 1HG GLN 13 23.002 30.826 -13.634
84 1HE2 GLN 13 1HE2 GLN 13 21.237 33.895 -14.407
85 2HE2 GLN 13 2HE2 GLN 13 20.405 33.236 -15.731
86 H ALA 14 H ALA 14 22.155 29.110 -13.063
87 HA ALA 14 HA ALA 14 19.392 28.114 -12.503
88 1HB ALA 14 1HB ALA 14 19.817 29.766 -14.564
89 2HB ALA 14 2HB ALA 14 18.714 28.398 -14.703
90 3HB ALA 14 3HB ALA 14 20.355 28.272 -15.332
91 H GLY 15 H GLY 15 21.588 26.812 -11.504
92 1HA GLY 15 2HA GLY 15 21.558 24.307 -13.065
93 2HA GLY 15 1HA GLY 15 23.144 25.037 -12.817
94 H CYS 16 H CYS 16 23.936 25.232 -10.611
95 HA CYS 16 HA CYS 16 22.672 23.225 -8.766
96 1HB CYS 16 2HB CYS 16 25.504 24.306 -8.884
97 2HB CYS 16 1HB CYS 16 24.938 22.963 -7.888
98 HA PRO 17 HA PRO 17 21.912 27.151 -6.572
99 1HB PRO 17 2HB PRO 17 19.760 26.211 -5.164
100 2HB PRO 17 1HB PRO 17 19.632 26.824 -6.822
101 1HG PRO 17 2HG PRO 17 19.707 24.016 -5.846
102 2HG PRO 17 1HG PRO 17 18.770 24.733 -7.167
103 1HD PRO 17 2HD PRO 17 21.040 23.255 -7.547
104 2HD PRO 17 1HD PRO 17 20.466 24.508 -8.674
105 H GLY 18 H GLY 18 24.088 26.092 -5.651
106 1HA GLY 18 2HA GLY 18 24.801 26.312 -3.218
107 2HA GLY 18 1HA GLY 18 23.551 25.114 -2.865
108 H GLY 19 H GLY 19 23.889 23.244 -4.829
109 1HA GLY 19 2HA GLY 19 26.555 22.500 -5.472
110 2HA GLY 19 1HA GLY 19 26.139 21.744 -3.926
111 H CYS 20 H CYS 20 26.386 20.833 -6.935
112 HA CYS 20 HA CYS 20 23.711 19.598 -7.313
113 1HB CYS 20 2HB CYS 20 26.193 20.079 -8.894
114 2HB CYS 20 1HB CYS 20 25.238 18.666 -9.346
115 H VAL 21 H VAL 21 25.421 18.707 -5.011
116 HA VAL 21 HA VAL 21 25.567 15.816 -5.753
117 HB VAL 21 HB VAL 21 27.684 17.255 -4.125
118 1HG1 VAL 21 1HG1 VAL 21 27.525 14.557 -5.497
119 2HG1 VAL 21 2HG1 VAL 21 27.652 14.868 -3.764
120 3HG1 VAL 21 3HG1 VAL 21 29.013 15.225 -4.828
121 1HG2 VAL 21 1HG2 VAL 21 27.874 18.271 -6.270
122 2HG2 VAL 21 2HG2 VAL 21 27.524 16.759 -7.105
123 3HG2 VAL 21 3HG2 VAL 21 29.067 16.973 -6.276
124 H GLU 22 H GLU 22 23.394 16.665 -4.384
125 HA GLU 22 HA GLU 22 23.878 16.529 -1.479
126 1HB GLU 22 2HB GLU 22 22.129 17.919 -2.964
127 2HB GLU 22 1HB GLU 22 21.150 16.471 -2.715
128 1HG GLU 22 2HG GLU 22 21.091 16.754 -0.388
129 2HG GLU 22 1HG GLU 22 22.535 17.766 -0.376
130 H GLU 23 H GLU 23 24.775 14.203 -2.667
131 HA GLU 23 HA GLU 23 24.597 11.861 -2.572
132 1HB GLU 23 2HB GLU 23 22.728 12.922 -0.470
133 2HB GLU 23 1HB GLU 23 22.747 11.191 -0.793
134 1HG GLU 23 2HG GLU 23 24.986 10.957 -0.142
135 2HG GLU 23 1HG GLU 23 25.335 12.670 -0.381
136 H GLU 24 H GLU 24 22.452 10.124 -2.470
137 HA GLU 24 HA GLU 24 21.305 10.382 -5.095
138 1HB GLU 24 2HB GLU 24 20.852 8.563 -2.723
139 2HB GLU 24 1HB GLU 24 19.995 8.344 -4.247
140 1HG GLU 24 2HG GLU 24 23.015 8.461 -4.018
141 2HG GLU 24 1HG GLU 24 22.100 6.955 -4.044
142 H ASP 25 H ASP 25 20.214 11.426 -1.945
143 HA ASP 25 HA ASP 25 17.736 12.503 -3.175
144 1HB ASP 25 2HB ASP 25 16.905 10.491 -2.286
145 2HB ASP 25 1HB ASP 25 17.990 10.546 -0.900
146 H GLY 26 H GLY 26 19.279 12.243 0.077
147 1HA GLY 26 2HA GLY 26 20.165 14.911 0.275
148 2HA GLY 26 1HA GLY 26 18.498 14.913 0.835
149 H GLY 27 H GLY 27 21.704 13.513 1.437
150 1HA GLY 27 2HA GLY 27 22.669 12.780 3.448
151 2HA GLY 27 1HA GLY 27 21.370 13.617 4.289
152 H SER 28 H SER 28 20.678 11.157 1.899
153 HA SER 28 HA SER 28 19.516 9.452 4.049
154 1HB SER 28 2HB SER 28 18.820 8.578 1.429
155 2HB SER 28 1HB SER 28 17.790 9.414 2.587
156 HG SER 28 HG SER 28 17.836 10.942 1.115
157 HA PRO 29 HA PRO 29 23.228 7.014 3.024
158 1HB PRO 29 2HB PRO 29 23.228 5.587 5.366
159 2HB PRO 29 1HB PRO 29 23.926 7.212 5.218
160 1HG PRO 29 2HG PRO 29 21.299 6.375 6.330
161 2HG PRO 29 1HG PRO 29 22.425 7.616 6.902
162 1HD PRO 29 2HD PRO 29 20.170 8.185 5.491
163 2HD PRO 29 1HD PRO 29 21.629 9.197 5.451
164 H ALA 30 H ALA 30 21.296 6.190 1.506
165 HA ALA 30 HA ALA 30 20.747 3.361 2.268
166 1HB ALA 30 1HB ALA 30 18.747 4.793 2.539
167 2HB ALA 30 2HB ALA 30 18.521 3.660 1.207
168 3HB ALA 30 3HB ALA 30 18.918 5.344 0.871
169 H GLU 31 H GLU 31 22.906 3.417 0.874
170 HA GLU 31 HA GLU 31 22.241 3.398 -2.021
171 1HB GLU 31 2HB GLU 31 23.976 4.986 -1.216
172 2HB GLU 31 1HB GLU 31 24.898 3.628 -0.577
173 1HG GLU 31 2HG GLU 31 24.636 2.730 -3.073
174 2HG GLU 31 1HG GLU 31 24.457 4.450 -3.420
175 H GLY 32 H GLY 32 24.684 1.745 -0.011
176 1HA GLY 32 2HA GLY 32 24.606 -0.640 -1.653
177 2HA GLY 32 1HA GLY 32 25.483 -0.467 -0.133
178 H CYS 33 H CYS 33 23.325 0.179 1.583
179 HA CYS 33 HA CYS 33 21.787 -2.394 1.515
180 1HB CYS 33 2HB CYS 33 23.580 -1.619 3.341
181 2HB CYS 33 1HB CYS 33 22.189 -0.758 3.991
182 H ALA 34 H ALA 34 20.172 -1.185 0.123
183 HA ALA 34 HA ALA 34 18.430 0.603 1.800
184 1HB ALA 34 1HB ALA 34 18.781 0.689 -1.209
185 2HB ALA 34 2HB ALA 34 19.793 1.626 -0.110
186 3HB ALA 34 3HB ALA 34 18.055 1.917 -0.174
187 H GLU 35 H GLU 35 18.445 -1.653 -0.987
188 HA GLU 35 HA GLU 35 15.525 -2.124 -0.636
189 1HB GLU 35 2HB GLU 35 15.693 -3.111 -2.841
190 2HB GLU 35 1HB GLU 35 16.612 -1.611 -2.852
191 1HG GLU 35 2HG GLU 35 18.145 -4.038 -2.088
192 2HG GLU 35 1HG GLU 35 17.609 -3.968 -3.765
193 H ALA 36 H ALA 36 15.061 -4.631 -1.272
194 HA ALA 36 HA ALA 36 16.104 -6.184 0.978
195 1HB ALA 36 1HB ALA 36 13.738 -6.184 0.018
196 2HB ALA 36 2HB ALA 36 14.449 -7.780 0.270
197 3HB ALA 36 3HB ALA 36 14.394 -7.086 -1.350
198 H GLU 37 H GLU 37 16.565 -6.120 -2.539
199 HA GLU 37 HA GLU 37 18.140 -8.569 -2.602
200 1HB GLU 37 2HB GLU 37 16.958 -6.641 -4.400
201 2HB GLU 37 1HB GLU 37 18.618 -6.981 -4.892
202 1HG GLU 37 2HG GLU 37 16.988 -8.540 -5.941
203 2HG GLU 37 1HG GLU 37 18.128 -9.398 -4.904
204 H GLY 38 H GLY 38 18.885 -5.589 -1.284
205 1HA GLY 38 2HA GLY 38 21.655 -5.477 -2.321
206 2HA GLY 38 1HA GLY 38 20.903 -4.294 -1.255
207 H CYS 39 H CYS 39 19.934 -5.993 0.758
208 HA CYS 39 HA CYS 39 22.122 -7.717 1.715
209 1HB CYS 39 2HB CYS 39 22.252 -6.093 3.802
210 2HB CYS 39 1HB CYS 39 23.160 -5.708 2.335
211 H LEU 40 H LEU 40 19.453 -8.462 1.339
212 HA LEU 40 HA LEU 40 17.680 -8.071 3.488
213 1HB LEU 40 2HB LEU 40 16.419 -9.757 2.536
214 2HB LEU 40 1HB LEU 40 17.429 -9.259 1.187
215 HG LEU 40 HG LEU 40 18.203 -11.527 3.032
216 1HD1 LEU 40 1HD1 LEU 40 17.338 -13.029 1.240
217 2HD1 LEU 40 2HD1 LEU 40 16.642 -11.623 0.433
218 3HD1 LEU 40 3HD1 LEU 40 16.059 -12.111 2.027
219 1HD2 LEU 40 1HD2 LEU 40 18.974 -11.210 0.153
220 2HD2 LEU 40 2HD2 LEU 40 19.857 -11.979 1.468
221 3HD2 LEU 40 3HD2 LEU 40 19.797 -10.230 1.352
222 H ARG 41 H ARG 41 20.279 -10.527 3.261
223 HA ARG 41 HA ARG 41 21.125 -11.999 4.909
224 1HB ARG 41 2HB ARG 41 20.864 -9.275 5.859
225 2HB ARG 41 1HB ARG 41 20.688 -10.396 7.209
226 1HG ARG 41 2HG ARG 41 22.937 -10.617 5.197
227 2HG ARG 41 1HG ARG 41 23.080 -9.661 6.669
228 1HD ARG 41 2HD ARG 41 22.311 -12.603 6.675
229 2HD ARG 41 1HD ARG 41 23.975 -12.022 6.882
230 HE ARG 41 HE ARG 41 22.231 -10.583 8.667
231 1HH1 ARG 41 1HH2 ARG 41 23.713 -13.688 8.159
232 2HH1 ARG 41 2HH2 ARG 41 23.762 -14.083 9.840
233 1HH2 ARG 41 1HH1 ARG 41 22.283 -11.113 10.861
234 2HH2 ARG 41 2HH1 ARG 41 22.951 -12.622 11.369
235 H ARG 42 H ARG 42 20.261 -12.153 7.707
236 HA ARG 42 HA ARG 42 17.765 -13.671 7.315
237 1HB ARG 42 2HB ARG 42 19.971 -14.396 8.542
238 2HB ARG 42 1HB ARG 42 19.327 -13.442 9.879
239 1HG ARG 42 2HG ARG 42 17.493 -14.854 10.186
240 2HG ARG 42 1HG ARG 42 17.558 -15.462 8.531
241 1HD ARG 42 2HD ARG 42 19.443 -16.847 8.997
242 2HD ARG 42 1HD ARG 42 19.753 -16.035 10.544
243 HE ARG 42 HE ARG 42 17.627 -18.018 10.017
244 1HH1 ARG 42 1HH2 ARG 42 18.803 -15.460 12.064
245 2HH1 ARG 42 2HH2 ARG 42 18.018 -16.071 13.474
246 1HH2 ARG 42 1HH1 ARG 42 16.599 -18.795 11.856
247 2HH2 ARG 42 2HH1 ARG 42 16.754 -17.948 13.358
248 H GLU 43 H GLU 43 19.025 -11.311 9.673
249 HA GLU 43 HA GLU 43 16.243 -10.345 10.108
250 1HB GLU 43 2HB GLU 43 18.601 -10.869 11.866
251 2HB GLU 43 1HB GLU 43 17.555 -9.517 12.303
252 1HG GLU 43 2HG GLU 43 16.024 -10.939 13.140
253 2HG GLU 43 1HG GLU 43 15.910 -11.763 11.584
254 H GLY 44 H GLY 44 15.874 -8.161 9.756
255 1HA GLY 44 2HA GLY 44 18.254 -6.499 9.030
256 2HA GLY 44 1HA GLY 44 16.659 -6.301 8.303
257 H GLN 45 HN GLN 45 14.974 -6.298 10.476
258 HA GLN 45 HA GLN 45 15.760 -3.778 11.856
259 1HB GLN 45 2HB GLN 45 13.148 -5.247 11.422
260 2HB GLN 45 1HB GLN 45 13.274 -3.767 12.370
261 1HG GLN 45 2HG GLN 45 14.194 -2.578 10.402
262 2HG GLN 45 1HG GLN 45 14.060 -4.060 9.449
263 1HE2 GLN 45 1HE2 GLN 45 11.742 -4.997 9.334
264 2HE2 GLN 45 2HE2 GLN 45 10.458 -3.890 9.286
Start of MODEL 2
1 1H ALA 1 1HT ALA 1 -7.251 41.632 32.267
2 2H ALA 1 2HT ALA 1 -7.024 43.225 32.790
3 3H ALA 1 3HT ALA 1 -5.763 42.104 32.951
4 HA ALA 1 HA ALA 1 -6.881 43.041 30.350
5 1HB ALA 1 1HB ALA 1 -4.492 43.818 32.049
6 2HB ALA 1 2HB ALA 1 -5.773 44.867 31.436
7 3HB ALA 1 3HB ALA 1 -4.577 44.190 30.329
8 H LEU 2 H LEU 2 -6.885 40.661 29.809
9 HA LEU 2 HA LEU 2 -4.151 39.740 29.087
10 1HB LEU 2 2HB LEU 2 -4.835 37.457 29.841
11 2HB LEU 2 1HB LEU 2 -4.818 38.629 31.157
12 HG LEU 2 HG LEU 2 -7.409 38.567 29.809
13 1HD1 LEU 2 1HD1 LEU 2 -8.079 36.329 30.621
14 2HD1 LEU 2 2HD1 LEU 2 -6.416 36.014 31.116
15 3HD1 LEU 2 3HD1 LEU 2 -6.805 36.212 29.407
16 1HD2 LEU 2 1HD2 LEU 2 -6.367 39.151 32.319
17 2HD2 LEU 2 2HD2 LEU 2 -7.244 37.644 32.584
18 3HD2 LEU 2 3HD2 LEU 2 -8.082 39.046 31.920
19 H ALA 3 H ALA 3 -6.679 40.861 27.637
20 HA ALA 3 HA ALA 3 -7.636 38.669 25.994
21 1HB ALA 3 1HB ALA 3 -8.910 40.409 24.927
22 2HB ALA 3 2HB ALA 3 -7.772 41.645 25.458
23 3HB ALA 3 3HB ALA 3 -8.819 40.849 26.633
24 H ARG 4 H ARG 4 -5.579 37.816 25.155
25 HA ARG 4 HA ARG 4 -4.509 39.428 22.896
26 1HB ARG 4 2HB ARG 4 -3.214 38.651 25.311
27 2HB ARG 4 1HB ARG 4 -2.521 37.672 24.020
28 1HG ARG 4 2HG ARG 4 -1.180 39.599 23.955
29 2HG ARG 4 1HG ARG 4 -2.388 39.934 22.713
30 1HD ARG 4 2HD ARG 4 -3.699 41.285 24.281
31 2HD ARG 4 1HD ARG 4 -2.572 40.895 25.595
32 HE ARG 4 HE ARG 4 -2.033 42.732 23.346
33 1HH1 ARG 4 1HH2 ARG 4 -0.737 40.753 25.897
34 2HH1 ARG 4 2HH2 ARG 4 0.770 41.593 25.959
35 1HH2 ARG 4 1HH1 ARG 4 -0.077 43.833 23.442
36 2HH2 ARG 4 2HH1 ARG 4 1.145 43.346 24.568
37 H CYS 5 H CYS 5 -2.838 37.506 21.787
38 HA CYS 5 HA CYS 5 -4.766 35.614 20.662
39 1HB CYS 5 2HB CYS 5 -2.504 36.893 19.785
40 2HB CYS 5 1HB CYS 5 -1.885 35.271 20.082
41 HA PRO 6 HA PRO 6 -3.800 32.533 23.715
42 1HB PRO 6 2HB PRO 6 -5.416 30.569 22.699
43 2HB PRO 6 1HB PRO 6 -6.026 31.947 23.638
44 1HG PRO 6 2HG PRO 6 -6.045 31.512 20.695
45 2HG PRO 6 1HG PRO 6 -7.250 32.290 21.729
46 1HD PRO 6 2HD PRO 6 -5.448 33.654 20.158
47 2HD PRO 6 1HD PRO 6 -6.223 34.318 21.617
48 H GLY 7 H GLY 7 -4.411 30.475 20.901
49 1HA GLY 7 2HA GLY 7 -1.587 29.552 21.122
50 2HA GLY 7 1HA GLY 7 -2.921 28.578 20.503
51 H CYS 8 H CYS 8 -1.606 31.833 19.741
52 HA CYS 8 HA CYS 8 -1.337 30.918 16.895
53 1HB CYS 8 2HB CYS 8 -2.842 32.470 16.175
54 2HB CYS 8 1HB CYS 8 -3.390 32.489 17.850
55 H GLY 9 H GLY 9 0.329 32.021 15.711
56 1HA GLY 9 2HA GLY 9 1.824 34.253 16.603
57 2HA GLY 9 1HA GLY 9 2.621 32.813 17.238
58 H GLN 10 H GLN 10 3.687 34.635 15.207
59 HA GLN 10 HA GLN 10 3.963 32.701 12.959
60 1HB GLN 10 2HB GLN 10 3.813 35.734 12.840
61 2HB GLN 10 1HB GLN 10 4.022 34.669 11.452
62 1HG GLN 10 2HG GLN 10 1.805 34.324 11.312
63 2HG GLN 10 1HG GLN 10 1.737 33.807 12.995
64 1HE2 GLN 10 1HE2 GLN 10 2.455 36.213 14.327
65 2HE2 GLN 10 2HE2 GLN 10 1.281 37.393 14.007
66 H GLY 11 H GLY 11 5.864 32.167 14.520
67 1HA GLY 11 2HA GLY 11 8.055 34.096 14.629
68 2HA GLY 11 1HA GLY 11 8.117 32.426 15.192
69 H VAL 12 H VAL 12 7.830 30.821 13.163
70 HA VAL 12 HA VAL 12 9.741 31.784 11.050
71 HB VAL 12 HB VAL 12 10.508 29.377 11.018
72 1HG1 VAL 12 1HG1 VAL 12 11.962 29.667 12.832
73 2HG1 VAL 12 2HG1 VAL 12 10.726 30.444 13.823
74 3HG1 VAL 12 3HG1 VAL 12 11.459 31.321 12.479
75 1HG2 VAL 12 1HG2 VAL 12 8.360 28.486 12.040
76 2HG2 VAL 12 2HG2 VAL 12 8.901 29.146 13.583
77 3HG2 VAL 12 3HG2 VAL 12 9.836 27.881 12.789
78 H GLN 13 H GLN 13 6.829 29.864 11.691
79 HA GLN 13 HA GLN 13 5.167 29.039 10.240
80 1HB GLN 13 2HB GLN 13 5.817 31.616 9.575
81 2HB GLN 13 1HB GLN 13 6.072 30.794 8.038
82 1HG GLN 13 2HG GLN 13 3.848 30.198 7.826
83 2HG GLN 13 1HG GLN 13 3.574 30.186 9.569
84 1HE2 GLN 13 1HE2 GLN 13 3.758 32.280 6.720
85 2HE2 GLN 13 2HE2 GLN 13 3.112 33.655 7.472
86 H ALA 14 H ALA 14 7.384 27.397 10.270
87 HA ALA 14 HA ALA 14 8.040 26.822 7.409
88 1HB ALA 14 1HB ALA 14 9.250 25.936 10.051
89 2HB ALA 14 2HB ALA 14 9.923 27.123 8.933
90 3HB ALA 14 3HB ALA 14 9.839 25.423 8.470
91 H GLY 15 H GLY 15 7.384 24.902 10.388
92 1HA GLY 15 2HA GLY 15 5.417 23.281 8.905
93 2HA GLY 15 1HA GLY 15 6.855 22.421 9.452
94 H CYS 16 H CYS 16 7.258 22.340 11.785
95 HA CYS 16 HA CYS 16 4.743 22.161 13.320
96 1HB CYS 16 2HB CYS 16 7.417 21.751 14.574
97 2HB CYS 16 1HB CYS 16 5.950 20.794 14.728
98 HA PRO 17 HA PRO 17 5.405 26.181 15.122
99 1HB PRO 17 2HB PRO 17 3.535 26.005 17.124
100 2HB PRO 17 1HB PRO 17 3.101 26.303 15.427
101 1HG PRO 17 2HG PRO 17 2.972 23.770 16.996
102 2HG PRO 17 1HG PRO 17 1.865 24.388 15.761
103 1HD PRO 17 2HD PRO 17 3.730 22.439 15.295
104 2HD PRO 17 1HD PRO 17 3.104 23.529 14.035
105 H GLY 18 H GLY 18 7.546 25.075 15.790
106 1HA GLY 18 2HA GLY 18 9.091 25.189 17.622
107 2HA GLY 18 1HA GLY 18 7.733 25.127 18.750
108 H GLY 19 H GLY 19 6.387 22.873 17.973
109 1HA GLY 19 2HA GLY 19 8.103 20.751 18.979
110 2HA GLY 19 1HA GLY 19 6.425 20.578 18.463
111 H CYS 20 H CYS 20 9.651 21.170 17.006
112 HA CYS 20 HA CYS 20 8.877 19.249 14.827
113 1HB CYS 20 2HB CYS 20 9.201 21.969 14.584
114 2HB CYS 20 1HB CYS 20 10.814 21.384 14.180
115 H VAL 21 H VAL 21 10.015 17.816 16.473
116 HA VAL 21 HA VAL 21 12.989 17.928 16.076
117 HB VAL 21 HB VAL 21 12.226 18.582 18.348
118 1HG1 VAL 21 1HG1 VAL 21 11.479 16.031 19.380
119 2HG1 VAL 21 2HG1 VAL 21 10.460 16.349 17.977
120 3HG1 VAL 21 3HG1 VAL 21 10.506 17.498 19.313
121 1HG2 VAL 21 1HG2 VAL 21 13.477 15.843 18.508
122 2HG2 VAL 21 2HG2 VAL 21 13.785 17.246 19.529
123 3HG2 VAL 21 3HG2 VAL 21 14.366 17.223 17.863
124 H GLU 22 H GLU 22 10.112 15.939 15.931
125 HA GLU 22 HA GLU 22 11.524 13.395 15.933
126 1HB GLU 22 2HB GLU 22 8.724 14.380 15.378
127 2HB GLU 22 1HB GLU 22 9.161 12.700 15.084
128 1HG GLU 22 2HG GLU 22 9.617 12.287 17.355
129 2HG GLU 22 1HG GLU 22 9.789 14.002 17.726
130 H GLU 23 H GLU 23 12.815 14.971 14.030
131 HA GLU 23 HA GLU 23 11.671 14.421 11.381
132 1HB GLU 23 2HB GLU 23 13.733 16.121 12.622
133 2HB GLU 23 1HB GLU 23 14.197 15.496 11.044
134 1HG GLU 23 2HG GLU 23 12.457 16.562 9.940
135 2HG GLU 23 1HG GLU 23 11.450 16.641 11.380
136 H GLU 24 H GLU 24 13.751 13.765 9.808
137 HA GLU 24 HA GLU 24 15.052 11.972 9.043
138 1HB GLU 24 2HB GLU 24 15.929 12.866 11.609
139 2HB GLU 24 1HB GLU 24 16.088 11.118 11.568
140 1HG GLU 24 2HG GLU 24 17.030 11.838 9.083
141 2HG GLU 24 1HG GLU 24 17.601 13.162 10.096
142 H ASP 25 H ASP 25 12.543 11.122 9.089
143 HA ASP 25 HA ASP 25 12.388 8.676 10.792
144 1HB ASP 25 2HB ASP 25 10.043 8.850 10.492
145 2HB ASP 25 1HB ASP 25 10.566 10.527 10.578
146 H GLY 26 H GLY 26 10.947 6.936 9.336
147 1HA GLY 26 2HA GLY 26 10.888 5.552 7.407
148 2HA GLY 26 1HA GLY 26 11.852 6.758 6.554
149 H GLY 27 H GLY 27 14.208 6.907 7.379
150 1HA GLY 27 2HA GLY 27 15.748 5.267 8.810
151 2HA GLY 27 1HA GLY 27 15.245 4.119 7.568
152 H SER 28 H SER 28 17.634 6.326 8.358
153 HA SER 28 HA SER 28 18.248 7.285 5.648
154 1HB SER 28 2HB SER 28 19.684 7.346 8.320
155 2HB SER 28 1HB SER 28 20.285 8.157 6.881
156 HG SER 28 HG SER 28 18.792 9.301 8.522
157 HA PRO 29 HA PRO 29 20.579 3.723 4.481
158 1HB PRO 29 2HB PRO 29 22.038 4.816 2.439
159 2HB PRO 29 1HB PRO 29 20.312 4.430 2.298
160 1HG PRO 29 2HG PRO 29 21.627 7.063 2.748
161 2HG PRO 29 1HG PRO 29 20.188 6.662 1.797
162 1HD PRO 29 2HD PRO 29 20.114 7.785 4.301
163 2HD PRO 29 1HD PRO 29 18.796 6.820 3.599
164 H ALA 30 H ALA 30 21.921 3.536 6.408
165 HA ALA 30 HA ALA 30 24.429 5.092 6.497
166 1HB ALA 30 1HB ALA 30 23.335 2.998 8.402
167 2HB ALA 30 2HB ALA 30 22.920 4.712 8.484
168 3HB ALA 30 3HB ALA 30 24.584 4.194 8.748
169 H GLU 31 H GLU 31 23.501 1.632 6.708
170 HA GLU 31 HA GLU 31 26.214 0.718 6.172
171 1HB GLU 31 2HB GLU 31 24.565 -0.445 7.631
172 2HB GLU 31 1HB GLU 31 23.550 -0.733 6.221
173 1HG GLU 31 2HG GLU 31 25.220 -2.144 5.208
174 2HG GLU 31 1HG GLU 31 26.411 -1.702 6.431
175 H GLY 32 H GLY 32 23.723 1.855 4.137
176 1HA GLY 32 2HA GLY 32 23.902 2.025 1.749
177 2HA GLY 32 1HA GLY 32 25.109 0.740 1.775
178 H CYS 33 H CYS 33 22.904 -0.587 3.708
179 HA CYS 33 HA CYS 33 21.771 -2.252 1.590
180 1HB CYS 33 2HB CYS 33 21.584 -2.111 4.611
181 2HB CYS 33 1HB CYS 33 20.663 -3.291 3.678
182 H ALA 34 H ALA 34 20.719 -0.063 0.734
183 HA ALA 34 HA ALA 34 18.288 0.808 2.131
184 1HB ALA 34 1HB ALA 34 19.749 2.242 0.670
185 2HB ALA 34 2HB ALA 34 18.059 2.250 0.161
186 3HB ALA 34 3HB ALA 34 19.243 1.279 -0.718
187 H GLU 35 H GLU 35 19.080 -1.256 -0.652
188 HA GLU 35 HA GLU 35 16.232 -1.904 -1.127
189 1HB GLU 35 2HB GLU 35 18.829 -2.804 -2.423
190 2HB GLU 35 1HB GLU 35 17.213 -3.163 -3.033
191 1HG GLU 35 2HG GLU 35 16.765 -0.715 -3.203
192 2HG GLU 35 1HG GLU 35 18.421 -0.401 -2.691
193 H ALA 36 H ALA 36 15.584 -4.248 -1.170
194 HA ALA 36 HA ALA 36 16.492 -5.612 1.252
195 1HB ALA 36 1HB ALA 36 14.703 -7.205 0.597
196 2HB ALA 36 2HB ALA 36 14.572 -6.398 -0.967
197 3HB ALA 36 3HB ALA 36 14.135 -5.536 0.508
198 H GLU 37 H GLU 37 16.613 -6.345 -2.261
199 HA GLU 37 HA GLU 37 18.386 -8.643 -1.693
200 1HB GLU 37 2HB GLU 37 16.365 -8.009 -3.579
201 2HB GLU 37 1HB GLU 37 17.868 -8.161 -4.496
202 1HG GLU 37 2HG GLU 37 18.198 -10.383 -3.838
203 2HG GLU 37 1HG GLU 37 17.175 -10.219 -2.411
204 H GLY 38 H GLY 38 19.906 -6.640 -0.973
205 1HA GLY 38 2HA GLY 38 21.821 -6.302 -3.208
206 2HA GLY 38 1HA GLY 38 21.217 -4.826 -2.456
207 H CYS 39 H CYS 39 21.579 -7.530 -0.317
208 HA CYS 39 HA CYS 39 24.304 -6.625 0.515
209 1HB CYS 39 2HB CYS 39 21.742 -6.570 2.123
210 2HB CYS 39 1HB CYS 39 23.320 -6.582 2.902
211 H LEU 40 H LEU 40 23.066 -9.168 -0.631
212 HA LEU 40 HA LEU 40 23.105 -11.495 -0.250
213 1HB LEU 40 2HB LEU 40 25.556 -10.327 0.016
214 2HB LEU 40 1HB LEU 40 25.424 -11.150 1.572
215 HG LEU 40 HG LEU 40 24.869 -12.536 -1.062
216 1HD1 LEU 40 1HD1 LEU 40 27.439 -12.372 0.536
217 2HD1 LEU 40 2HD1 LEU 40 27.181 -11.805 -1.115
218 3HD1 LEU 40 3HD1 LEU 40 27.152 -13.532 -0.758
219 1HD2 LEU 40 1HD2 LEU 40 24.466 -14.372 0.211
220 2HD2 LEU 40 2HD2 LEU 40 24.327 -13.252 1.567
221 3HD2 LEU 40 3HD2 LEU 40 25.860 -14.061 1.241
222 H ARG 41 H ARG 41 21.085 -10.982 1.232
223 HA ARG 41 HA ARG 41 21.273 -12.650 3.560
224 1HB ARG 41 2HB ARG 41 20.708 -10.755 5.201
225 2HB ARG 41 1HB ARG 41 22.373 -10.823 4.624
226 1HG ARG 41 2HG ARG 41 21.909 -9.077 2.973
227 2HG ARG 41 1HG ARG 41 20.209 -9.046 3.445
228 1HD ARG 41 2HD ARG 41 20.990 -7.300 4.763
229 2HD ARG 41 1HD ARG 41 21.311 -8.645 5.875
230 HE ARG 41 HE ARG 41 23.589 -8.612 4.317
231 1HH1 ARG 41 1HH2 ARG 41 21.851 -6.177 6.145
232 2HH1 ARG 41 2HH2 ARG 41 23.279 -5.246 6.470
233 1HH2 ARG 41 1HH1 ARG 41 25.438 -7.349 4.796
234 2HH2 ARG 41 2HH1 ARG 41 25.272 -5.885 5.715
235 H ARG 42 H ARG 42 19.282 -13.616 3.445
236 HA ARG 42 HA ARG 42 16.895 -11.906 3.005
237 1HB ARG 42 2HB ARG 42 18.060 -13.756 1.187
238 2HB ARG 42 1HB ARG 42 16.556 -14.477 1.760
239 1HG ARG 42 2HG ARG 42 15.454 -12.214 1.286
240 2HG ARG 42 1HG ARG 42 16.928 -11.787 0.416
241 1HD ARG 42 2HD ARG 42 16.631 -13.787 -1.049
242 2HD ARG 42 1HD ARG 42 15.113 -14.158 -0.209
243 HE ARG 42 HE ARG 42 15.569 -11.898 -2.059
244 1HH1 ARG 42 1HH2 ARG 42 13.583 -13.324 0.427
245 2HH1 ARG 42 2HH2 ARG 42 12.177 -12.430 -0.022
246 1HH2 ARG 42 1HH1 ARG 42 13.753 -10.753 -2.646
247 2HH2 ARG 42 2HH1 ARG 42 12.271 -10.954 -1.755
248 H GLU 43 H GLU 43 18.072 -15.103 4.061
249 HA GLU 43 HA GLU 43 15.684 -16.078 5.233
250 1HB GLU 43 2HB GLU 43 18.632 -16.454 5.735
251 2HB GLU 43 1HB GLU 43 17.445 -17.308 6.720
252 1HG GLU 43 2HG GLU 43 16.779 -17.483 3.896
253 2HG GLU 43 1HG GLU 43 18.404 -18.092 4.204
254 H GLY 44 H GLY 44 14.592 -15.504 7.073
255 1HA GLY 44 2HA GLY 44 16.012 -13.975 9.200
256 2HA GLY 44 1HA GLY 44 14.559 -13.266 8.496
257 H GLN 45 HN GLN 45 12.912 -15.501 8.243
258 HA GLN 45 HA GLN 45 12.685 -16.498 11.066
259 1HB GLN 45 2HB GLN 45 10.674 -15.290 9.168
260 2HB GLN 45 1HB GLN 45 10.153 -16.314 10.506
261 1HG GLN 45 2HG GLN 45 12.114 -14.290 11.321
262 2HG GLN 45 1HG GLN 45 10.634 -13.587 10.668
263 1HE2 GLN 45 1HE2 GLN 45 9.469 -12.999 12.529
264 2HE2 GLN 45 2HE2 GLN 45 9.102 -14.063 13.798
Start of MODEL 3
1 1H ALA 1 1HT ALA 1 13.573 14.908 -30.226
2 2H ALA 1 2HT ALA 1 12.236 13.883 -30.422
3 3H ALA 1 3HT ALA 1 12.231 15.083 -29.218
4 HA ALA 1 HA ALA 1 10.879 15.653 -31.247
5 1HB ALA 1 1HB ALA 1 13.290 17.341 -30.467
6 2HB ALA 1 2HB ALA 1 11.746 17.301 -29.616
7 3HB ALA 1 3HB ALA 1 11.836 17.959 -31.251
8 H LEU 2 H LEU 2 10.918 15.925 -33.495
9 HA LEU 2 HA LEU 2 11.705 15.762 -35.712
10 1HB LEU 2 2HB LEU 2 13.709 17.155 -34.118
11 2HB LEU 2 1HB LEU 2 14.455 16.286 -35.456
12 HG LEU 2 HG LEU 2 13.844 18.532 -36.193
13 1HD1 LEU 2 1HD1 LEU 2 12.926 17.891 -38.203
14 2HD1 LEU 2 2HD1 LEU 2 11.683 16.897 -37.445
15 3HD1 LEU 2 3HD1 LEU 2 13.337 16.297 -37.572
16 1HD2 LEU 2 1HD2 LEU 2 12.019 18.855 -34.511
17 2HD2 LEU 2 2HD2 LEU 2 10.996 17.783 -35.468
18 3HD2 LEU 2 3HD2 LEU 2 11.542 19.318 -36.143
19 H ALA 3 H ALA 3 11.430 13.486 -35.928
20 HA ALA 3 HA ALA 3 13.132 11.449 -34.931
21 1HB ALA 3 1HB ALA 3 12.198 10.471 -37.319
22 2HB ALA 3 2HB ALA 3 11.079 11.802 -37.028
23 3HB ALA 3 3HB ALA 3 11.255 10.520 -35.830
24 H ARG 4 H ARG 4 15.328 11.387 -35.290
25 HA ARG 4 HA ARG 4 16.361 11.285 -38.021
26 1HB ARG 4 2HB ARG 4 16.125 13.758 -36.769
27 2HB ARG 4 1HB ARG 4 17.810 13.311 -36.482
28 1HG ARG 4 2HG ARG 4 16.934 12.735 -39.226
29 2HG ARG 4 1HG ARG 4 16.833 14.449 -38.816
30 1HD ARG 4 2HD ARG 4 19.244 14.074 -37.816
31 2HD ARG 4 1HD ARG 4 19.260 12.668 -38.900
32 HE ARG 4 HE ARG 4 19.275 14.137 -40.748
33 1HH1 ARG 4 1HH2 ARG 4 18.369 15.813 -37.836
34 2HH1 ARG 4 2HH2 ARG 4 18.457 17.380 -38.562
35 1HH2 ARG 4 1HH1 ARG 4 19.388 16.198 -41.689
36 2HH2 ARG 4 2HH1 ARG 4 19.038 17.596 -40.740
37 H CYS 5 H CYS 5 17.500 11.900 -34.676
38 HA CYS 5 HA CYS 5 19.241 9.472 -34.899
39 1HB CYS 5 2HB CYS 5 20.656 11.341 -35.367
40 2HB CYS 5 1HB CYS 5 19.932 12.310 -34.085
41 HA PRO 6 HA PRO 6 16.760 9.325 -31.051
42 1HB PRO 6 2HB PRO 6 16.463 6.612 -31.067
43 2HB PRO 6 1HB PRO 6 15.406 7.705 -31.982
44 1HG PRO 6 2HG PRO 6 17.695 6.055 -32.933
45 2HG PRO 6 1HG PRO 6 16.152 6.413 -33.724
46 1HD PRO 6 2HD PRO 6 18.505 7.658 -34.353
47 2HD PRO 6 1HD PRO 6 16.902 8.390 -34.584
48 H GLY 7 H GLY 7 19.726 7.718 -32.020
49 1HA GLY 7 2HA GLY 7 20.302 6.539 -29.429
50 2HA GLY 7 1HA GLY 7 21.453 6.732 -30.749
51 H CYS 8 H CYS 8 21.244 9.564 -31.046
52 HA CYS 8 HA CYS 8 22.912 10.403 -28.764
53 1HB CYS 8 2HB CYS 8 23.328 12.349 -30.204
54 2HB CYS 8 1HB CYS 8 23.484 10.863 -31.136
55 H GLY 9 H GLY 9 22.414 12.987 -28.288
56 1HA GLY 9 2HA GLY 9 19.498 13.318 -27.801
57 2HA GLY 9 1HA GLY 9 20.591 13.390 -26.419
58 H GLN 10 H GLN 10 20.589 15.552 -25.869
59 HA GLN 10 HA GLN 10 20.531 17.670 -27.869
60 1HB GLN 10 2HB GLN 10 20.355 17.332 -24.943
61 2HB GLN 10 1HB GLN 10 21.104 18.845 -25.451
62 1HG GLN 10 2HG GLN 10 19.185 19.604 -26.509
63 2HG GLN 10 1HG GLN 10 18.579 17.975 -26.813
64 1HE2 GLN 10 1HE2 GLN 10 17.599 20.537 -25.178
65 2HE2 GLN 10 2HE2 GLN 10 17.012 19.835 -23.750
66 H GLY 11 H GLY 11 22.890 16.029 -28.225
67 1HA GLY 11 2HA GLY 11 25.125 16.530 -28.812
68 2HA GLY 11 1HA GLY 11 24.923 18.122 -28.085
69 H VAL 12 H VAL 12 24.060 17.097 -25.454
70 HA VAL 12 HA VAL 12 26.593 15.780 -24.535
71 HB VAL 12 HB VAL 12 26.410 17.372 -22.559
72 1HG1 VAL 12 1HG1 VAL 12 27.365 19.262 -23.771
73 2HG1 VAL 12 2HG1 VAL 12 26.669 18.680 -25.281
74 3HG1 VAL 12 3HG1 VAL 12 27.941 17.754 -24.486
75 1HG2 VAL 12 1HG2 VAL 12 24.500 18.892 -24.358
76 2HG2 VAL 12 2HG2 VAL 12 24.967 19.287 -22.704
77 3HG2 VAL 12 3HG2 VAL 12 23.948 17.883 -23.022
78 H GLN 13 H GLN 13 24.657 14.029 -24.838
79 HA GLN 13 HA GLN 13 23.367 13.720 -22.169
80 1HB GLN 13 2HB GLN 13 21.889 14.268 -24.156
81 2HB GLN 13 1HB GLN 13 22.348 12.706 -24.832
82 1HG GLN 13 2HG GLN 13 20.706 11.760 -23.606
83 2HG GLN 13 1HG GLN 13 21.603 12.199 -22.154
84 1HE2 GLN 13 1HE2 GLN 13 18.734 12.886 -23.984
85 2HE2 GLN 13 2HE2 GLN 13 18.212 14.201 -23.050
86 H ALA 14 H ALA 14 25.030 12.375 -21.342
87 HA ALA 14 HA ALA 14 25.069 9.616 -22.449
88 1HB ALA 14 1HB ALA 14 27.548 11.309 -22.004
89 2HB ALA 14 2HB ALA 14 26.850 10.935 -23.582
90 3HB ALA 14 3HB ALA 14 27.518 9.644 -22.583
91 H GLY 15 H GLY 15 26.097 8.093 -20.958
92 1HA GLY 15 2HA GLY 15 26.574 9.021 -18.174
93 2HA GLY 15 1HA GLY 15 25.309 7.813 -18.431
94 H CYS 16 H CYS 16 26.211 6.048 -20.133
95 HA CYS 16 HA CYS 16 28.903 5.151 -19.147
96 1HB CYS 16 2HB CYS 16 27.715 2.819 -19.718
97 2HB CYS 16 1HB CYS 16 27.475 3.603 -18.158
98 HA PRO 17 HA PRO 17 28.884 5.771 -23.741
99 1HB PRO 17 2HB PRO 17 31.446 6.737 -23.855
100 2HB PRO 17 1HB PRO 17 30.025 7.758 -23.556
101 1HG PRO 17 2HG PRO 17 31.984 6.628 -21.606
102 2HG PRO 17 1HG PRO 17 31.253 8.242 -21.664
103 1HD PRO 17 2HD PRO 17 30.380 6.328 -19.970
104 2HD PRO 17 1HD PRO 17 29.287 7.539 -20.687
105 H GLY 18 H GLY 18 31.102 4.079 -21.570
106 1HA GLY 18 2HA GLY 18 32.234 2.557 -23.858
107 2HA GLY 18 1HA GLY 18 32.812 2.480 -22.187
108 H GLY 19 H GLY 19 29.373 2.312 -22.635
109 1HA GLY 19 2HA GLY 19 28.170 0.183 -23.077
110 2HA GLY 19 1HA GLY 19 29.502 -0.646 -22.267
111 H CYS 20 H CYS 20 26.511 -0.349 -21.629
112 HA CYS 20 HA CYS 20 26.751 0.809 -18.884
113 1HB CYS 20 2HB CYS 20 24.273 0.157 -20.523
114 2HB CYS 20 1HB CYS 20 24.344 1.114 -19.043
115 H VAL 21 H VAL 21 25.407 -0.406 -17.236
116 HA VAL 21 HA VAL 21 26.094 -3.247 -17.307
117 HB VAL 21 HB VAL 21 24.438 -1.692 -15.282
118 1HG1 VAL 21 1HG1 VAL 21 25.362 -3.350 -13.705
119 2HG1 VAL 21 2HG1 VAL 21 26.224 -4.128 -15.030
120 3HG1 VAL 21 3HG1 VAL 21 24.461 -4.146 -14.997
121 1HG2 VAL 21 1HG2 VAL 21 26.343 -0.402 -15.189
122 2HG2 VAL 21 2HG2 VAL 21 27.340 -1.650 -15.937
123 3HG2 VAL 21 3HG2 VAL 21 26.935 -1.755 -14.224
124 H GLU 22 H GLU 22 24.562 -3.324 -19.381
125 HA GLU 22 HA GLU 22 21.726 -3.714 -18.632
126 1HB GLU 22 2HB GLU 22 23.177 -2.806 -20.903
127 2HB GLU 22 1HB GLU 22 22.352 -4.286 -21.380
128 1HG GLU 22 2HG GLU 22 20.399 -2.969 -19.944
129 2HG GLU 22 1HG GLU 22 21.224 -1.640 -20.763
130 H GLU 23 H GLU 23 24.565 -5.530 -19.687
131 HA GLU 23 HA GLU 23 23.019 -8.038 -19.880
132 1HB GLU 23 2HB GLU 23 25.971 -7.495 -20.322
133 2HB GLU 23 1HB GLU 23 25.063 -8.882 -20.904
134 1HG GLU 23 2HG GLU 23 23.871 -6.331 -21.753
135 2HG GLU 23 1HG GLU 23 25.523 -6.518 -22.323
136 H GLU 24 H GLU 24 22.852 -7.278 -17.320
137 HA GLU 24 HA GLU 24 23.468 -7.695 -15.085
138 1HB GLU 24 2HB GLU 24 23.823 -10.293 -16.589
139 2HB GLU 24 1HB GLU 24 23.733 -10.179 -14.838
140 1HG GLU 24 2HG GLU 24 21.575 -8.690 -16.094
141 2HG GLU 24 1HG GLU 24 21.560 -10.383 -16.584
142 H ASP 25 H ASP 25 25.532 -6.288 -15.565
143 HA ASP 25 HA ASP 25 28.078 -7.805 -15.595
144 1HB ASP 25 2HB ASP 25 27.162 -5.275 -16.431
145 2HB ASP 25 1HB ASP 25 28.219 -4.941 -15.062
146 H GLY 26 H GLY 26 25.833 -6.682 -13.252
147 1HA GLY 26 2HA GLY 26 26.016 -7.044 -10.891
148 2HA GLY 26 1HA GLY 26 27.766 -7.196 -11.074
149 H GLY 27 H GLY 27 28.822 -5.086 -11.921
150 1HA GLY 27 2HA GLY 27 29.289 -2.802 -11.607
151 2HA GLY 27 1HA GLY 27 27.560 -2.553 -11.384
152 H SER 28 H SER 28 29.007 -1.027 -9.787
153 HA SER 28 HA SER 28 29.216 -2.439 -7.145
154 1HB SER 28 2HB SER 28 31.154 -1.132 -8.376
155 2HB SER 28 1HB SER 28 30.320 0.293 -7.757
156 HG SER 28 HG SER 28 30.875 -0.235 -5.776
157 HA PRO 29 HA PRO 29 25.457 0.143 -6.736
158 1HB PRO 29 2HB PRO 29 24.273 -1.445 -4.846
159 2HB PRO 29 1HB PRO 29 24.152 -1.758 -6.589
160 1HG PRO 29 2HG PRO 29 25.898 -3.043 -4.549
161 2HG PRO 29 1HG PRO 29 25.067 -3.760 -5.940
162 1HD PRO 29 2HD PRO 29 27.732 -3.161 -5.914
163 2HD PRO 29 1HD PRO 29 26.747 -3.211 -7.393
164 H ALA 30 H ALA 30 26.099 1.950 -5.566
165 HA ALA 30 HA ALA 30 27.489 1.740 -3.014
166 1HB ALA 30 1HB ALA 30 26.267 4.103 -4.480
167 2HB ALA 30 2HB ALA 30 27.913 3.510 -4.707
168 3HB ALA 30 3HB ALA 30 27.428 4.208 -3.161
169 H GLU 31 H GLU 31 24.315 3.122 -3.977
170 HA GLU 31 HA GLU 31 23.435 3.163 -1.172
171 1HB GLU 31 2HB GLU 31 23.073 4.829 -3.254
172 2HB GLU 31 1HB GLU 31 21.641 3.818 -3.449
173 1HG GLU 31 2HG GLU 31 20.768 4.421 -1.351
174 2HG GLU 31 1HG GLU 31 22.340 4.930 -0.739
175 H GLY 32 H GLY 32 23.742 0.625 -3.038
176 1HA GLY 32 2HA GLY 32 20.992 -0.423 -3.035
177 2HA GLY 32 1HA GLY 32 22.419 -1.267 -3.638
178 H CYS 33 H CYS 33 22.155 0.254 -0.468
179 HA CYS 33 HA CYS 33 22.457 -2.459 0.778
180 1HB CYS 33 2HB CYS 33 24.153 -0.319 0.846
181 2HB CYS 33 1HB CYS 33 23.179 -0.006 2.283
182 H ALA 34 H ALA 34 19.922 -0.755 0.124
183 HA ALA 34 HA ALA 34 18.640 -1.173 2.768
184 1HB ALA 34 1HB ALA 34 17.830 1.157 2.811
185 2HB ALA 34 2HB ALA 34 18.687 1.489 1.305
186 3HB ALA 34 3HB ALA 34 19.593 1.120 2.773
187 H GLU 35 H GLU 35 18.202 -2.632 0.398
188 HA GLU 35 HA GLU 35 15.458 -1.704 -0.387
189 1HB GLU 35 2HB GLU 35 16.053 -2.742 -2.649
190 2HB GLU 35 1HB GLU 35 16.914 -1.264 -2.238
191 1HG GLU 35 2HG GLU 35 18.874 -2.537 -1.553
192 2HG GLU 35 1HG GLU 35 18.015 -4.058 -1.799
193 H ALA 36 H ALA 36 14.926 -4.057 -1.973
194 HA ALA 36 HA ALA 36 14.185 -5.909 0.164
195 1HB ALA 36 1HB ALA 36 12.663 -5.531 -1.656
196 2HB ALA 36 2HB ALA 36 13.268 -7.174 -1.862
197 3HB ALA 36 3HB ALA 36 13.910 -5.866 -2.857
198 H GLU 37 H GLU 37 16.802 -5.683 -2.159
199 HA GLU 37 HA GLU 37 17.556 -8.502 -1.985
200 1HB GLU 37 2HB GLU 37 18.005 -6.431 -3.728
201 2HB GLU 37 1HB GLU 37 19.539 -6.481 -2.853
202 1HG GLU 37 2HG GLU 37 19.991 -8.046 -4.489
203 2HG GLU 37 1HG GLU 37 19.271 -9.105 -3.278
204 H GLY 38 H GLY 38 18.487 -5.472 -0.405
205 1HA GLY 38 2HA GLY 38 19.300 -5.541 1.914
206 2HA GLY 38 1HA GLY 38 20.115 -7.061 1.529
207 H CYS 39 H CYS 39 22.135 -6.995 0.542
208 HA CYS 39 HA CYS 39 23.225 -4.500 -0.565
209 1HB CYS 39 2HB CYS 39 23.294 -4.623 2.105
210 2HB CYS 39 1HB CYS 39 24.730 -5.600 1.781
211 H LEU 40 H LEU 40 24.255 -5.364 -2.350
212 HA LEU 40 HA LEU 40 25.375 -8.076 -2.236
213 1HB LEU 40 2HB LEU 40 23.953 -6.942 -4.101
214 2HB LEU 40 1HB LEU 40 25.471 -6.175 -4.569
215 HG LEU 40 HG LEU 40 26.034 -8.930 -4.139
216 1HD1 LEU 40 1HD1 LEU 40 23.741 -8.543 -6.073
217 2HD1 LEU 40 2HD1 LEU 40 23.533 -9.181 -4.442
218 3HD1 LEU 40 3HD1 LEU 40 24.517 -10.059 -5.612
219 1HD2 LEU 40 1HD2 LEU 40 26.789 -8.833 -6.409
220 2HD2 LEU 40 2HD2 LEU 40 27.061 -7.226 -5.735
221 3HD2 LEU 40 3HD2 LEU 40 25.678 -7.515 -6.792
222 H ARG 41 H ARG 41 27.458 -8.339 -1.568
223 HA ARG 41 HA ARG 41 29.661 -6.899 -2.737
224 1HB ARG 41 2HB ARG 41 28.458 -5.366 -0.931
225 2HB ARG 41 1HB ARG 41 29.359 -6.370 0.209
226 1HG ARG 41 2HG ARG 41 31.008 -4.833 -0.146
227 2HG ARG 41 1HG ARG 41 31.321 -5.802 -1.585
228 1HD ARG 41 2HD ARG 41 29.983 -4.304 -2.967
229 2HD ARG 41 1HD ARG 41 29.443 -3.407 -1.536
230 HE ARG 41 HE ARG 41 31.587 -2.385 -1.389
231 1HH1 ARG 41 1HH2 ARG 41 31.569 -5.010 -3.669
232 2HH1 ARG 41 2HH2 ARG 41 33.122 -4.623 -4.313
233 1HH2 ARG 41 1HH1 ARG 41 33.630 -1.888 -2.233
234 2HH2 ARG 41 2HH1 ARG 41 34.293 -2.867 -3.503
235 H ARG 42 H ARG 42 30.431 -9.070 -3.040
236 HA ARG 42 HA ARG 42 32.013 -10.166 -0.903
237 1HB ARG 42 2HB ARG 42 29.722 -10.765 -0.132
238 2HB ARG 42 1HB ARG 42 29.463 -11.647 -1.633
239 1HG ARG 42 2HG ARG 42 30.577 -13.445 -0.863
240 2HG ARG 42 1HG ARG 42 31.948 -12.458 -0.357
241 1HD ARG 42 2HD ARG 42 30.841 -11.910 1.752
242 2HD ARG 42 1HD ARG 42 29.373 -12.773 1.240
243 HE ARG 42 HE ARG 42 31.317 -14.682 0.909
244 1HH1 ARG 42 1HH2 ARG 42 30.448 -12.556 3.528
245 2HH1 ARG 42 2HH2 ARG 42 31.011 -13.634 4.753
246 1HH2 ARG 42 1HH1 ARG 42 32.051 -16.095 2.527
247 2HH2 ARG 42 2HH1 ARG 42 31.927 -15.633 4.190
248 H GLU 43 H GLU 43 30.180 -11.219 -3.782
249 HA GLU 43 HA GLU 43 30.856 -12.373 -5.718
250 1HB GLU 43 2HB GLU 43 32.483 -10.271 -5.356
251 2HB GLU 43 1HB GLU 43 33.682 -11.550 -5.175
252 1HG GLU 43 2HG GLU 43 33.608 -12.090 -7.384
253 2HG GLU 43 1HG GLU 43 31.853 -11.935 -7.451
254 H GLY 44 H GLY 44 33.203 -13.758 -6.299
255 1HA GLY 44 2HA GLY 44 33.395 -15.764 -4.081
256 2HA GLY 44 1HA GLY 44 33.305 -16.240 -5.779
257 H GLN 45 HN GLN 45 35.122 -13.406 -4.816
258 HA GLN 45 HA GLN 45 37.714 -14.808 -4.769
259 1HB GLN 45 2HB GLN 45 36.499 -13.705 -7.174
260 2HB GLN 45 1HB GLN 45 38.014 -12.880 -6.819
261 1HG GLN 45 2HG GLN 45 39.133 -15.100 -6.611
262 2HG GLN 45 1HG GLN 45 37.624 -15.876 -7.092
263 1HE2 GLN 45 1HE2 GLN 45 40.240 -13.763 -8.230
264 2HE2 GLN 45 2HE2 GLN 45 39.892 -13.931 -9.881
Start of MODEL 4
1 1H ALA 1 1HT ALA 1 64.572 7.252 11.640
2 2H ALA 1 2HT ALA 1 66.155 6.903 11.140
3 3H ALA 1 3HT ALA 1 65.476 8.430 10.834
4 HA ALA 1 HA ALA 1 65.818 7.431 13.605
5 1HB ALA 1 1HB ALA 1 67.961 7.324 12.301
6 2HB ALA 1 2HB ALA 1 68.010 8.516 13.598
7 3HB ALA 1 3HB ALA 1 67.781 9.039 11.928
8 H LEU 2 H LEU 2 65.158 9.023 15.060
9 HA LEU 2 HA LEU 2 64.119 11.005 15.821
10 1HB LEU 2 2HB LEU 2 66.494 11.594 14.713
11 2HB LEU 2 1HB LEU 2 65.462 12.504 13.609
12 HG LEU 2 HG LEU 2 64.485 13.001 16.224
13 1HD1 LEU 2 1HD1 LEU 2 66.760 12.180 16.957
14 2HD1 LEU 2 2HD1 LEU 2 66.396 13.842 17.417
15 3HD1 LEU 2 3HD1 LEU 2 67.464 13.522 16.051
16 1HD2 LEU 2 1HD2 LEU 2 65.094 15.305 15.697
17 2HD2 LEU 2 2HD2 LEU 2 64.463 14.523 14.249
18 3HD2 LEU 2 3HD2 LEU 2 66.201 14.755 14.440
19 H ALA 3 H ALA 3 62.511 9.499 14.036
20 HA ALA 3 HA ALA 3 61.029 11.680 12.676
21 1HB ALA 3 1HB ALA 3 62.437 9.457 11.521
22 2HB ALA 3 2HB ALA 3 61.534 10.720 10.688
23 3HB ALA 3 3HB ALA 3 60.714 9.249 11.212
24 H ARG 4 H ARG 4 59.055 11.777 13.639
25 HA ARG 4 HA ARG 4 57.402 9.401 13.881
26 1HB ARG 4 2HB ARG 4 57.146 9.724 16.409
27 2HB ARG 4 1HB ARG 4 58.693 9.067 15.883
28 1HG ARG 4 2HG ARG 4 59.844 10.865 16.627
29 2HG ARG 4 1HG ARG 4 58.684 12.003 15.945
30 1HD ARG 4 2HD ARG 4 58.808 12.152 18.448
31 2HD ARG 4 1HD ARG 4 57.194 11.652 17.908
32 HE ARG 4 HE ARG 4 57.640 9.447 18.686
33 1HH1 ARG 4 1HH2 ARG 4 60.505 11.432 18.725
34 2HH1 ARG 4 2HH2 ARG 4 61.392 10.345 19.735
35 1HH2 ARG 4 1HH1 ARG 4 58.772 8.040 19.972
36 2HH2 ARG 4 2HH1 ARG 4 60.392 8.403 20.460
37 H CYS 5 H CYS 5 55.220 10.003 13.898
38 HA CYS 5 HA CYS 5 54.534 12.829 14.547
39 1HB CYS 5 2HB CYS 5 54.877 13.154 12.274
40 2HB CYS 5 1HB CYS 5 54.530 11.473 11.883
41 HA PRO 6 HA PRO 6 51.224 10.318 16.217
42 1HB PRO 6 2HB PRO 6 50.052 12.316 17.675
43 2HB PRO 6 1HB PRO 6 51.500 11.440 18.209
44 1HG PRO 6 2HG PRO 6 51.254 14.143 17.011
45 2HG PRO 6 1HG PRO 6 52.377 13.554 18.245
46 1HD PRO 6 2HD PRO 6 53.018 13.931 15.592
47 2HD PRO 6 1HD PRO 6 53.888 12.845 16.699
48 H GLY 7 H GLY 7 50.473 13.670 15.133
49 1HA GLY 7 2HA GLY 7 47.776 12.909 14.316
50 2HA GLY 7 1HA GLY 7 48.534 14.478 14.041
51 H CYS 8 H CYS 8 49.160 11.099 12.988
52 HA CYS 8 HA CYS 8 49.565 12.184 10.218
53 1HB CYS 8 2HB CYS 8 50.952 10.240 11.948
54 2HB CYS 8 1HB CYS 8 50.723 9.697 10.285
55 H GLY 9 H GLY 9 47.233 10.599 11.976
56 1HA GLY 9 2HA GLY 9 46.598 8.479 10.063
57 2HA GLY 9 1HA GLY 9 45.606 8.966 11.440
58 H GLN 10 H GLN 10 46.774 10.563 8.443
59 HA GLN 10 HA GLN 10 44.187 10.860 7.258
60 1HB GLN 10 2HB GLN 10 43.980 12.290 9.350
61 2HB GLN 10 1HB GLN 10 45.225 13.342 8.680
62 1HG GLN 10 2HG GLN 10 43.504 13.143 6.562
63 2HG GLN 10 1HG GLN 10 42.387 13.041 7.922
64 1HE2 GLN 10 1HE2 GLN 10 41.542 15.222 7.533
65 2HE2 GLN 10 2HE2 GLN 10 42.488 16.594 7.873
66 H GLY 11 H GLY 11 46.976 13.070 7.707
67 1HA GLY 11 2HA GLY 11 47.177 13.466 4.801
68 2HA GLY 11 1HA GLY 11 48.155 14.267 6.032
69 H VAL 12 H VAL 12 47.628 10.929 4.841
70 HA VAL 12 HA VAL 12 50.564 10.658 4.509
71 HB VAL 12 HB VAL 12 50.109 9.981 6.816
72 1HG1 VAL 12 1HG1 VAL 12 48.255 7.828 5.788
73 2HG1 VAL 12 2HG1 VAL 12 47.645 9.405 6.286
74 3HG1 VAL 12 3HG1 VAL 12 48.482 8.378 7.448
75 1HG2 VAL 12 1HG2 VAL 12 51.252 7.951 6.767
76 2HG2 VAL 12 2HG2 VAL 12 51.602 8.577 5.155
77 3HG2 VAL 12 3HG2 VAL 12 50.347 7.356 5.374
78 H GLN 13 H GLN 13 47.414 8.961 4.236
79 HA GLN 13 HA GLN 13 47.720 8.420 1.434
80 1HB GLN 13 2HB GLN 13 49.442 6.896 2.652
81 2HB GLN 13 1HB GLN 13 48.039 5.977 3.189
82 1HG GLN 13 2HG GLN 13 47.461 5.339 1.010
83 2HG GLN 13 1HG GLN 13 48.379 6.651 0.276
84 1HE2 GLN 13 1HE2 GLN 13 50.046 5.653 -0.903
85 2HE2 GLN 13 2HE2 GLN 13 51.062 4.438 -0.290
86 H ALA 14 H ALA 14 46.419 6.825 4.366
87 HA ALA 14 HA ALA 14 43.705 6.823 3.078
88 1HB ALA 14 1HB ALA 14 44.683 4.994 5.279
89 2HB ALA 14 2HB ALA 14 44.981 4.635 3.578
90 3HB ALA 14 3HB ALA 14 43.327 4.747 4.177
91 H GLY 15 H GLY 15 42.000 6.542 5.056
92 1HA GLY 15 2HA GLY 15 42.344 8.965 6.689
93 2HA GLY 15 1HA GLY 15 40.884 7.983 6.590
94 H CYS 16 H CYS 16 42.224 5.461 7.201
95 HA CYS 16 HA CYS 16 42.796 5.930 10.108
96 1HB CYS 16 2HB CYS 16 42.120 3.210 9.644
97 2HB CYS 16 1HB CYS 16 41.130 4.436 10.443
98 HA PRO 17 HA PRO 17 46.802 4.316 9.085
99 1HB PRO 17 2HB PRO 17 47.778 4.134 11.632
100 2HB PRO 17 1HB PRO 17 47.634 5.673 10.759
101 1HG PRO 17 2HG PRO 17 45.891 4.523 12.871
102 2HG PRO 17 1HG PRO 17 46.343 6.207 12.574
103 1HD PRO 17 2HD PRO 17 43.924 5.100 11.879
104 2HD PRO 17 1HD PRO 17 44.634 6.533 11.101
105 H GLY 18 H GLY 18 45.055 2.309 8.735
106 1HA GLY 18 2HA GLY 18 45.334 -0.080 8.681
107 2HA GLY 18 1HA GLY 18 46.341 0.034 10.130
108 H GLY 19 H GLY 19 43.062 -0.190 8.939
109 1HA GLY 19 2HA GLY 19 41.436 -1.460 10.276
110 2HA GLY 19 1HA GLY 19 42.197 -0.802 11.729
111 H CYS 20 H CYS 20 39.584 -0.457 9.649
112 HA CYS 20 HA CYS 20 39.094 2.359 10.584
113 1HB CYS 20 2HB CYS 20 38.059 1.007 8.081
114 2HB CYS 20 1HB CYS 20 37.925 2.716 8.498
115 H VAL 21 H VAL 21 37.936 -0.886 10.643
116 HA VAL 21 HA VAL 21 35.100 -0.245 10.996
117 HB VAL 21 HB VAL 21 34.932 -2.669 11.385
118 1HG1 VAL 21 1HG1 VAL 21 35.756 -1.472 9.071
119 2HG1 VAL 21 2HG1 VAL 21 35.354 -3.184 9.205
120 3HG1 VAL 21 3HG1 VAL 21 37.034 -2.664 9.310
121 1HG2 VAL 21 1HG2 VAL 21 37.623 -2.312 12.317
122 2HG2 VAL 21 2HG2 VAL 21 37.636 -3.475 10.992
123 3HG2 VAL 21 3HG2 VAL 21 36.618 -3.762 12.402
124 H GLU 22 H GLU 22 37.332 0.762 13.002
125 HA GLU 22 HA GLU 22 36.593 -0.495 15.507
126 1HB GLU 22 2HB GLU 22 38.176 1.980 14.741
127 2HB GLU 22 1HB GLU 22 38.058 1.366 16.388
128 1HG GLU 22 2HG GLU 22 38.858 -0.574 14.258
129 2HG GLU 22 1HG GLU 22 40.050 0.625 14.758
130 H GLU 23 H GLU 23 35.327 2.161 13.600
131 HA GLU 23 HA GLU 23 33.418 2.773 15.788
132 1HB GLU 23 2HB GLU 23 35.420 4.528 14.478
133 2HB GLU 23 1HB GLU 23 33.817 5.228 14.686
134 1HG GLU 23 2HG GLU 23 34.685 3.800 17.071
135 2HG GLU 23 1HG GLU 23 35.799 5.098 16.641
136 H GLU 24 H GLU 24 32.624 1.133 13.830
137 HA GLU 24 HA GLU 24 31.063 0.792 12.106
138 1HB GLU 24 2HB GLU 24 30.043 2.445 13.963
139 2HB GLU 24 1HB GLU 24 29.989 3.545 12.588
140 1HG GLU 24 2HG GLU 24 27.963 2.535 12.280
141 2HG GLU 24 1HG GLU 24 28.954 1.355 11.424
142 H ASP 25 H ASP 25 33.640 2.151 11.307
143 HA ASP 25 HA ASP 25 32.673 3.848 9.038
144 1HB ASP 25 2HB ASP 25 34.332 4.793 10.638
145 2HB ASP 25 1HB ASP 25 35.428 3.465 10.267
146 H GLY 26 H GLY 26 32.414 2.686 7.198
147 1HA GLY 26 2HA GLY 26 33.064 1.352 5.355
148 2HA GLY 26 1HA GLY 26 34.594 1.058 6.174
149 H GLY 27 H GLY 27 34.055 -0.228 8.404
150 1HA GLY 27 2HA GLY 27 33.473 -2.875 7.650
151 2HA GLY 27 1HA GLY 27 33.452 -2.306 9.318
152 H SER 28 H SER 28 31.351 -0.648 9.498
153 HA SER 28 HA SER 28 29.026 -2.364 8.687
154 1HB SER 28 2HB SER 28 29.035 -0.383 10.952
155 2HB SER 28 1HB SER 28 28.070 -1.840 10.766
156 HG SER 28 HG SER 28 30.008 -1.810 12.267
157 HA PRO 29 HA PRO 29 28.400 1.766 6.665
158 1HB PRO 29 2HB PRO 29 27.948 0.844 4.130
159 2HB PRO 29 1HB PRO 29 29.573 1.183 4.750
160 1HG PRO 29 2HG PRO 29 28.218 -1.411 4.327
161 2HG PRO 29 1HG PRO 29 29.938 -1.003 4.247
162 1HD PRO 29 2HD PRO 29 28.650 -2.283 6.369
163 2HD PRO 29 1HD PRO 29 30.262 -1.541 6.413
164 H ALA 30 H ALA 30 26.326 2.348 7.293
165 HA ALA 30 HA ALA 30 24.069 0.522 7.136
166 1HB ALA 30 1HB ALA 30 22.868 2.467 8.085
167 2HB ALA 30 2HB ALA 30 24.252 3.493 7.714
168 3HB ALA 30 3HB ALA 30 24.402 2.214 8.920
169 H GLU 31 H GLU 31 25.382 3.095 5.131
170 HA GLU 31 HA GLU 31 23.000 3.442 3.497
171 1HB GLU 31 2HB GLU 31 25.551 4.665 3.935
172 2HB GLU 31 1HB GLU 31 25.433 4.294 2.219
173 1HG GLU 31 2HG GLU 31 23.642 5.722 1.894
174 2HG GLU 31 1HG GLU 31 23.064 5.546 3.551
175 H GLY 32 H GLY 32 25.079 0.849 3.727
176 1HA GLY 32 2HA GLY 32 25.169 0.298 0.811
177 2HA GLY 32 1HA GLY 32 26.067 -0.583 2.049
178 H CYS 33 H CYS 33 22.608 0.202 2.227
179 HA CYS 33 HA CYS 33 21.796 -2.502 1.426
180 1HB CYS 33 2HB CYS 33 22.759 -2.350 3.922
181 2HB CYS 33 1HB CYS 33 21.116 -1.787 4.249
182 H ALA 34 H ALA 34 20.792 -0.519 0.091
183 HA ALA 34 HA ALA 34 18.512 0.824 1.363
184 1HB ALA 34 1HB ALA 34 18.260 1.856 -0.768
185 2HB ALA 34 2HB ALA 34 19.062 0.519 -1.599
186 3HB ALA 34 3HB ALA 34 19.995 1.617 -0.582
187 H GLU 35 H GLU 35 18.830 -1.658 -1.206
188 HA GLU 35 HA GLU 35 15.982 -2.393 -0.983
189 1HB GLU 35 2HB GLU 35 18.375 -3.259 -2.630
190 2HB GLU 35 1HB GLU 35 16.822 -4.089 -2.742
191 1HG GLU 35 2HG GLU 35 15.770 -2.301 -3.745
192 2HG GLU 35 1HG GLU 35 16.799 -1.104 -2.957
193 H ALA 36 H ALA 36 15.509 -4.829 -0.703
194 HA ALA 36 HA ALA 36 16.773 -5.766 1.772
195 1HB ALA 36 1HB ALA 36 14.353 -5.984 1.223
196 2HB ALA 36 2HB ALA 36 15.087 -7.554 1.544
197 3HB ALA 36 3HB ALA 36 14.765 -7.055 -0.118
198 H GLU 37 H GLU 37 16.690 -6.855 -1.633
199 HA GLU 37 HA GLU 37 18.543 -9.049 -1.086
200 1HB GLU 37 2HB GLU 37 18.295 -9.459 -3.492
201 2HB GLU 37 1HB GLU 37 16.711 -9.124 -2.794
202 1HG GLU 37 2HG GLU 37 17.301 -6.631 -3.460
203 2HG GLU 37 1HG GLU 37 18.391 -7.416 -4.598
204 H GLY 38 H GLY 38 18.752 -5.720 -2.227
205 1HA GLY 38 2HA GLY 38 21.442 -5.947 -3.295
206 2HA GLY 38 1HA GLY 38 20.591 -4.443 -2.949
207 H CYS 39 H CYS 39 22.163 -7.137 -1.282
208 HA CYS 39 HA CYS 39 23.660 -5.283 0.429
209 1HB CYS 39 2HB CYS 39 21.147 -5.866 1.255
210 2HB CYS 39 1HB CYS 39 22.011 -7.229 1.972
211 H LEU 40 H LEU 40 22.596 -8.693 0.079
212 HA LEU 40 HA LEU 40 23.803 -10.708 0.165
213 1HB LEU 40 2HB LEU 40 25.896 -8.733 -0.817
214 2HB LEU 40 1HB LEU 40 26.093 -10.486 -0.877
215 HG LEU 40 HG LEU 40 23.628 -9.248 -2.059
216 1HD1 LEU 40 1HD1 LEU 40 24.791 -8.140 -3.624
217 2HD1 LEU 40 2HD1 LEU 40 25.518 -9.666 -4.131
218 3HD1 LEU 40 3HD1 LEU 40 26.313 -8.671 -2.910
219 1HD2 LEU 40 1HD2 LEU 40 23.317 -11.358 -2.792
220 2HD2 LEU 40 2HD2 LEU 40 24.715 -11.844 -1.834
221 3HD2 LEU 40 3HD2 LEU 40 24.920 -11.389 -3.526
222 H ARG 41 H ARG 41 26.960 -10.027 0.759
223 HA ARG 41 HA ARG 41 28.343 -10.258 2.644
224 1HB ARG 41 2HB ARG 41 26.167 -8.328 3.277
225 2HB ARG 41 1HB ARG 41 27.085 -8.919 4.658
226 1HG ARG 41 2HG ARG 41 28.769 -7.518 4.132
227 2HG ARG 41 1HG ARG 41 28.950 -8.334 2.580
228 1HD ARG 41 2HD ARG 41 28.519 -5.964 2.161
229 2HD ARG 41 1HD ARG 41 27.075 -6.881 1.687
230 HE ARG 41 HE ARG 41 26.956 -6.129 4.486
231 1HH1 ARG 41 1HH2 ARG 41 26.528 -4.936 1.246
232 2HH1 ARG 41 2HH2 ARG 41 25.401 -3.708 1.714
233 1HH2 ARG 41 1HH1 ARG 41 25.477 -4.534 5.084
234 2HH2 ARG 41 2HH1 ARG 41 24.811 -3.485 3.880
235 H ARG 42 H ARG 42 26.783 -12.538 2.202
236 HA ARG 42 HA ARG 42 26.562 -13.611 4.915
237 1HB ARG 42 2HB ARG 42 24.363 -12.356 4.047
238 2HB ARG 42 1HB ARG 42 24.106 -13.900 3.226
239 1HG ARG 42 2HG ARG 42 24.878 -14.645 5.797
240 2HG ARG 42 1HG ARG 42 23.839 -13.242 6.060
241 1HD ARG 42 2HD ARG 42 22.434 -15.242 6.039
242 2HD ARG 42 1HD ARG 42 22.120 -14.339 4.545
243 HE ARG 42 HE ARG 42 24.275 -16.041 3.945
244 1HH1 ARG 42 1HH2 ARG 42 20.961 -16.330 4.987
245 2HH1 ARG 42 2HH2 ARG 42 20.747 -17.893 4.275
246 1HH2 ARG 42 1HH1 ARG 42 23.983 -18.063 3.041
247 2HH2 ARG 42 2HH1 ARG 42 22.461 -18.878 3.171
248 H GLU 43 H GLU 43 28.244 -14.285 2.670
249 HA GLU 43 HA GLU 43 28.948 -16.100 1.349
250 1HB GLU 43 2HB GLU 43 27.392 -17.301 3.642
251 2HB GLU 43 1HB GLU 43 28.277 -18.306 2.495
252 1HG GLU 43 2HG GLU 43 30.374 -17.319 3.087
253 2HG GLU 43 1HG GLU 43 29.588 -15.988 3.933
254 H GLY 44 H GLY 44 27.515 -15.326 -0.454
255 1HA GLY 44 2HA GLY 44 25.265 -17.237 -0.953
256 2HA GLY 44 1HA GLY 44 25.212 -15.548 -1.472
257 H GLN 45 HN GLN 45 27.032 -18.570 -1.902
258 HA GLN 45 HA GLN 45 28.249 -17.540 -4.419
259 1HB GLN 45 2HB GLN 45 28.614 -19.859 -2.562
260 2HB GLN 45 1HB GLN 45 29.239 -19.999 -4.206
261 1HG GLN 45 2HG GLN 45 30.899 -18.471 -3.836
262 2HG GLN 45 1HG GLN 45 29.862 -17.442 -2.847
263 1HE2 GLN 45 1HE2 GLN 45 30.585 -20.921 -2.309
264 2HE2 GLN 45 2HE2 GLN 45 31.338 -20.678 -0.802
Start of MODEL 5
1 1H ALA 1 1HT ALA 1 -1.461 39.572 10.401
2 2H ALA 1 2HT ALA 1 -2.454 39.193 9.076
3 3H ALA 1 3HT ALA 1 -1.905 40.782 9.300
4 HA ALA 1 HA ALA 1 0.349 40.162 8.813
5 1HB ALA 1 1HB ALA 1 0.189 38.000 10.000
6 2HB ALA 1 2HB ALA 1 0.818 37.752 8.371
7 3HB ALA 1 3HB ALA 1 -0.867 37.373 8.734
8 H LEU 2 H LEU 2 0.988 38.931 6.522
9 HA LEU 2 HA LEU 2 -0.765 40.169 4.536
10 1HB LEU 2 2HB LEU 2 1.963 39.474 4.825
11 2HB LEU 2 1HB LEU 2 1.363 38.511 3.475
12 HG LEU 2 HG LEU 2 0.305 40.690 2.605
13 1HD1 LEU 2 1HD1 LEU 2 1.369 42.763 3.391
14 2HD1 LEU 2 2HD1 LEU 2 2.302 41.849 4.574
15 3HD1 LEU 2 3HD1 LEU 2 0.548 41.955 4.725
16 1HD2 LEU 2 1HD2 LEU 2 2.413 39.564 1.738
17 2HD2 LEU 2 2HD2 LEU 2 3.330 40.666 2.766
18 3HD2 LEU 2 3HD2 LEU 2 2.331 41.304 1.462
19 H ALA 3 H ALA 3 -0.512 38.351 2.398
20 HA ALA 3 HA ALA 3 -2.658 36.505 2.960
21 1HB ALA 3 1HB ALA 3 -1.939 37.756 0.779
22 2HB ALA 3 2HB ALA 3 -2.586 36.122 0.637
23 3HB ALA 3 3HB ALA 3 -0.845 36.394 0.556
24 H ARG 4 H ARG 4 -1.472 35.354 4.787
25 HA ARG 4 HA ARG 4 0.716 33.549 4.052
26 1HB ARG 4 2HB ARG 4 -0.903 34.205 6.509
27 2HB ARG 4 1HB ARG 4 0.155 32.797 6.507
28 1HG ARG 4 2HG ARG 4 1.178 35.496 5.633
29 2HG ARG 4 1HG ARG 4 1.135 35.055 7.339
30 1HD ARG 4 2HD ARG 4 2.302 32.979 5.574
31 2HD ARG 4 1HD ARG 4 3.236 34.483 5.672
32 HE ARG 4 HE ARG 4 2.358 33.730 8.307
33 1HH1 ARG 4 1HH2 ARG 4 4.559 32.792 5.787
34 2HH1 ARG 4 2HH2 ARG 4 5.733 32.146 6.877
35 1HH2 ARG 4 1HH1 ARG 4 3.905 32.878 9.736
36 2HH2 ARG 4 2HH1 ARG 4 5.363 32.192 9.111
37 H CYS 5 H CYS 5 -0.180 31.241 5.584
38 HA CYS 5 HA CYS 5 -2.329 30.231 3.748
39 1HB CYS 5 2HB CYS 5 -0.341 29.076 3.301
40 2HB CYS 5 1HB CYS 5 0.132 29.023 4.998
41 HA PRO 6 HA PRO 6 -4.171 30.168 7.959
42 1HB PRO 6 2HB PRO 6 -6.659 30.958 7.147
43 2HB PRO 6 1HB PRO 6 -5.358 32.108 7.507
44 1HG PRO 6 2HG PRO 6 -6.361 31.147 4.879
45 2HG PRO 6 1HG PRO 6 -5.780 32.752 5.349
46 1HD PRO 6 2HD PRO 6 -4.286 30.929 3.934
47 2HD PRO 6 1HD PRO 6 -3.607 32.228 4.940
48 H GLY 7 H GLY 7 -3.792 27.763 7.427
49 1HA GLY 7 2HA GLY 7 -4.759 25.607 7.475
50 2HA GLY 7 1HA GLY 7 -6.347 26.369 7.416
51 H CYS 8 H CYS 8 -3.720 26.769 5.062
52 HA CYS 8 HA CYS 8 -5.589 25.942 2.909
53 1HB CYS 8 2HB CYS 8 -4.124 27.146 1.491
54 2HB CYS 8 1HB CYS 8 -4.043 28.045 3.003
55 H GLY 9 H GLY 9 -3.618 24.964 1.059
56 1HA GLY 9 2HA GLY 9 -3.386 22.211 1.999
57 2HA GLY 9 1HA GLY 9 -2.850 22.819 0.431
58 H GLN 10 H GLN 10 -0.698 23.580 0.219
59 HA GLN 10 HA GLN 10 1.063 23.956 2.481
60 1HB GLN 10 2HB GLN 10 2.441 21.904 2.046
61 2HB GLN 10 1HB GLN 10 0.810 21.515 2.587
62 1HG GLN 10 2HG GLN 10 0.442 21.615 -0.121
63 2HG GLN 10 1HG GLN 10 2.099 21.028 -0.035
64 1HE2 GLN 10 1HE2 GLN 10 2.012 19.409 2.279
65 2HE2 GLN 10 2HE2 GLN 10 0.914 18.138 2.031
66 H GLY 11 H GLY 11 1.432 25.890 1.151
67 1HA GLY 11 2HA GLY 11 2.490 25.651 -1.550
68 2HA GLY 11 1HA GLY 11 2.438 27.128 -0.588
69 H VAL 12 H VAL 12 4.114 23.958 -0.386
70 HA VAL 12 HA VAL 12 6.720 25.386 -0.209
71 HB VAL 12 HB VAL 12 5.740 25.157 2.082
72 1HG1 VAL 12 1HG1 VAL 12 4.479 23.031 1.529
73 2HG1 VAL 12 2HG1 VAL 12 5.345 23.004 3.064
74 3HG1 VAL 12 3HG1 VAL 12 6.013 22.170 1.664
75 1HG2 VAL 12 1HG2 VAL 12 7.692 23.889 3.081
76 2HG2 VAL 12 2HG2 VAL 12 8.138 25.165 1.947
77 3HG2 VAL 12 3HG2 VAL 12 8.175 23.477 1.438
78 H GLN 13 H GLN 13 5.957 23.998 -2.433
79 HA GLN 13 HA GLN 13 6.368 21.196 -2.519
80 1HB GLN 13 2HB GLN 13 5.482 22.850 -4.278
81 2HB GLN 13 1HB GLN 13 7.174 23.169 -4.660
82 1HG GLN 13 2HG GLN 13 7.121 20.419 -4.649
83 2HG GLN 13 1HG GLN 13 5.526 20.809 -5.292
84 1HE2 GLN 13 1HE2 GLN 13 5.460 21.285 -7.507
85 2HE2 GLN 13 2HE2 GLN 13 6.817 21.715 -8.437
86 H ALA 14 H ALA 14 8.749 23.761 -3.304
87 HA ALA 14 HA ALA 14 10.958 21.815 -3.284
88 1HB ALA 14 1HB ALA 14 10.931 24.849 -3.496
89 2HB ALA 14 2HB ALA 14 10.777 23.741 -4.861
90 3HB ALA 14 3HB ALA 14 12.273 23.787 -3.930
91 H GLY 15 H GLY 15 10.219 21.370 -0.857
92 1HA GLY 15 2HA GLY 15 10.989 23.327 1.142
93 2HA GLY 15 1HA GLY 15 10.631 21.626 1.449
94 H CYS 16 H CYS 16 12.400 20.103 0.523
95 HA CYS 16 HA CYS 16 15.106 21.303 1.004
96 1HB CYS 16 2HB CYS 16 15.518 18.898 2.002
97 2HB CYS 16 1HB CYS 16 14.715 20.134 2.986
98 HA PRO 17 HA PRO 17 14.918 18.997 -3.026
99 1HB PRO 17 2HB PRO 17 16.234 20.920 -4.483
100 2HB PRO 17 1HB PRO 17 14.473 20.908 -4.246
101 1HG PRO 17 2HG PRO 17 16.564 22.495 -2.837
102 2HG PRO 17 1HG PRO 17 14.956 22.995 -3.386
103 1HD PRO 17 2HD PRO 17 15.503 22.381 -0.804
104 2HD PRO 17 1HD PRO 17 13.907 22.110 -1.542
105 H GLY 18 H GLY 18 16.552 17.569 -3.408
106 1HA GLY 18 2HA GLY 18 18.874 17.026 -3.878
107 2HA GLY 18 1HA GLY 18 19.362 18.410 -2.900
108 H GLY 19 H GLY 19 17.324 17.520 -0.760
109 1HA GLY 19 2HA GLY 19 17.735 14.972 0.222
110 2HA GLY 19 1HA GLY 19 19.172 15.848 0.739
111 H CYS 20 H CYS 20 16.627 14.795 2.148
112 HA CYS 20 HA CYS 20 15.893 17.352 3.534
113 1HB CYS 20 2HB CYS 20 14.348 14.767 3.106
114 2HB CYS 20 1HB CYS 20 13.754 16.150 4.021
115 H VAL 21 H VAL 21 17.017 17.405 5.467
116 HA VAL 21 HA VAL 21 17.714 14.873 6.857
117 HB VAL 21 HB VAL 21 19.314 16.779 6.405
118 1HG1 VAL 21 1HG1 VAL 21 18.263 18.313 8.706
119 2HG1 VAL 21 2HG1 VAL 21 17.285 18.398 7.242
120 3HG1 VAL 21 3HG1 VAL 21 18.980 18.885 7.199
121 1HG2 VAL 21 1HG2 VAL 21 19.169 15.107 8.550
122 2HG2 VAL 21 2HG2 VAL 21 19.187 16.674 9.357
123 3HG2 VAL 21 3HG2 VAL 21 20.501 16.229 8.268
124 H GLU 22 H GLU 22 14.901 15.414 6.877
125 HA GLU 22 HA GLU 22 14.138 16.747 9.338
126 1HB GLU 22 2HB GLU 22 12.741 15.047 7.264
127 2HB GLU 22 1HB GLU 22 11.896 15.722 8.652
128 1HG GLU 22 2HG GLU 22 13.453 17.813 7.477
129 2HG GLU 22 1HG GLU 22 12.551 17.024 6.189
130 H GLU 23 H GLU 23 14.855 13.421 8.375
131 HA GLU 23 HA GLU 23 14.880 12.565 11.164
132 1HB GLU 23 2HB GLU 23 12.513 12.413 10.766
133 2HB GLU 23 1HB GLU 23 12.767 11.663 9.190
134 1HG GLU 23 2HG GLU 23 12.398 9.720 10.344
135 2HG GLU 23 1HG GLU 23 14.094 9.894 10.782
136 H GLU 24 H GLU 24 16.842 11.504 11.065
137 HA GLU 24 HA GLU 24 17.114 9.250 9.187
138 1HB GLU 24 2HB GLU 24 18.281 11.790 8.755
139 2HB GLU 24 1HB GLU 24 19.599 10.740 9.280
140 1HG GLU 24 2HG GLU 24 18.998 9.091 7.557
141 2HG GLU 24 1HG GLU 24 17.643 10.100 7.044
142 H ASP 25 H ASP 25 18.694 7.692 9.916
143 HA ASP 25 HA ASP 25 19.247 7.838 12.835
144 1HB ASP 25 2HB ASP 25 18.694 5.795 10.798
145 2HB ASP 25 1HB ASP 25 20.038 5.351 11.850
146 H GLY 26 H GLY 26 20.979 6.868 9.858
147 1HA GLY 26 2HA GLY 26 23.419 8.228 10.771
148 2HA GLY 26 1HA GLY 26 23.539 6.471 10.684
149 H GLY 27 H GLY 27 23.283 9.405 8.823
150 1HA GLY 27 2HA GLY 27 22.700 8.406 6.247
151 2HA GLY 27 1HA GLY 27 23.687 9.833 6.554
152 H SER 28 H SER 28 23.736 6.458 5.738
153 HA SER 28 HA SER 28 26.508 6.670 4.814
154 1HB SER 28 2HB SER 28 27.192 6.176 6.967
155 2HB SER 28 1HB SER 28 25.718 5.303 7.359
156 HG SER 28 HG SER 28 27.841 4.437 5.668
157 HA PRO 29 HA PRO 29 24.775 2.513 3.349
158 1HB PRO 29 2HB PRO 29 22.670 1.330 4.627
159 2HB PRO 29 1HB PRO 29 24.353 1.101 5.143
160 1HG PRO 29 2HG PRO 29 22.232 2.809 6.312
161 2HG PRO 29 1HG PRO 29 23.545 1.932 7.111
162 1HD PRO 29 2HD PRO 29 23.529 4.650 6.602
163 2HD PRO 29 1HD PRO 29 24.979 3.672 6.912
164 H ALA 30 H ALA 30 23.985 4.532 2.035
165 HA ALA 30 HA ALA 30 21.131 5.098 2.054
166 1HB ALA 30 1HB ALA 30 22.497 6.897 1.455
167 2HB ALA 30 2HB ALA 30 21.919 6.338 -0.113
168 3HB ALA 30 3HB ALA 30 23.536 5.895 0.435
169 H GLU 31 H GLU 31 23.201 3.858 -0.619
170 HA GLU 31 HA GLU 31 20.843 2.290 -1.544
171 1HB GLU 31 2HB GLU 31 22.213 4.336 -2.780
172 2HB GLU 31 1HB GLU 31 22.974 2.906 -3.482
173 1HG GLU 31 2HG GLU 31 20.695 2.018 -4.020
174 2HG GLU 31 1HG GLU 31 20.004 3.533 -3.439
175 H GLY 32 H GLY 32 24.253 2.136 -0.711
176 1HA GLY 32 2HA GLY 32 25.117 -0.160 -2.055
177 2HA GLY 32 1HA GLY 32 25.679 0.297 -0.449
178 H CYS 33 H CYS 33 23.222 -0.003 0.967
179 HA CYS 33 HA CYS 33 22.345 -2.795 0.464
180 1HB CYS 33 2HB CYS 33 24.518 -2.388 2.010
181 2HB CYS 33 1HB CYS 33 23.269 -2.159 3.233
182 H ALA 34 H ALA 34 20.535 -0.936 0.081
183 HA ALA 34 HA ALA 34 18.866 -0.939 2.564
184 1HB ALA 34 1HB ALA 34 19.514 1.430 0.782
185 2HB ALA 34 2HB ALA 34 20.029 1.214 2.456
186 3HB ALA 34 3HB ALA 34 18.323 1.457 2.079
187 H GLU 35 H GLU 35 18.740 -2.525 0.054
188 HA GLU 35 HA GLU 35 16.212 -1.474 -1.166
189 1HB GLU 35 2HB GLU 35 18.675 -2.573 -2.175
190 2HB GLU 35 1HB GLU 35 17.355 -3.656 -2.617
191 1HG GLU 35 2HG GLU 35 16.824 -0.754 -2.973
192 2HG GLU 35 1HG GLU 35 18.015 -1.457 -4.064
193 H ALA 36 H ALA 36 15.168 -3.766 -2.208
194 HA ALA 36 HA ALA 36 14.118 -5.139 0.162
195 1HB ALA 36 1HB ALA 36 12.549 -6.011 -1.378
196 2HB ALA 36 2HB ALA 36 13.689 -5.941 -2.721
197 3HB ALA 36 3HB ALA 36 12.978 -4.455 -2.091
198 H GLU 37 H GLU 37 16.579 -5.787 -2.247
199 HA GLU 37 HA GLU 37 16.735 -8.655 -1.749
200 1HB GLU 37 2HB GLU 37 17.327 -7.537 -3.901
201 2HB GLU 37 1HB GLU 37 18.657 -6.709 -3.086
202 1HG GLU 37 2HG GLU 37 19.229 -9.257 -2.387
203 2HG GLU 37 1HG GLU 37 18.423 -9.551 -3.929
204 H GLY 38 H GLY 38 18.735 -5.800 -0.897
205 1HA GLY 38 2HA GLY 38 19.691 -5.600 1.353
206 2HA GLY 38 1HA GLY 38 19.793 -7.358 1.417
207 H CYS 39 H CYS 39 21.756 -8.219 0.965
208 HA CYS 39 HA CYS 39 23.601 -6.782 -0.894
209 1HB CYS 39 2HB CYS 39 23.885 -7.188 2.047
210 2HB CYS 39 1HB CYS 39 25.339 -7.401 1.074
211 H LEU 40 H LEU 40 23.232 -9.663 1.214
212 HA LEU 40 HA LEU 40 24.015 -11.876 0.937
213 1HB LEU 40 2HB LEU 40 22.300 -10.946 -1.148
214 2HB LEU 40 1HB LEU 40 23.454 -12.074 -1.858
215 HG LEU 40 HG LEU 40 21.904 -12.672 0.675
216 1HD1 LEU 40 1HD1 LEU 40 20.862 -14.298 -1.283
217 2HD1 LEU 40 2HD1 LEU 40 21.084 -12.777 -2.147
218 3HD1 LEU 40 3HD1 LEU 40 20.098 -12.825 -0.685
219 1HD2 LEU 40 1HD2 LEU 40 23.161 -14.548 0.726
220 2HD2 LEU 40 2HD2 LEU 40 24.114 -13.897 -0.605
221 3HD2 LEU 40 3HD2 LEU 40 22.724 -14.929 -0.939
222 H ARG 41 H ARG 41 26.183 -9.967 0.624
223 HA ARG 41 HA ARG 41 28.404 -9.869 -0.191
224 1HB ARG 41 2HB ARG 41 27.991 -12.262 0.729
225 2HB ARG 41 1HB ARG 41 27.908 -12.745 -0.962
226 1HG ARG 41 2HG ARG 41 30.198 -11.161 -0.869
227 2HG ARG 41 1HG ARG 41 30.239 -12.045 0.660
228 1HD ARG 41 2HD ARG 41 30.128 -14.176 -0.460
229 2HD ARG 41 1HD ARG 41 29.780 -13.400 -2.018
230 HE ARG 41 HE ARG 41 32.408 -13.515 -0.701
231 1HH1 ARG 41 1HH2 ARG 41 30.358 -11.887 -3.010
232 2HH1 ARG 41 2HH2 ARG 41 31.702 -11.289 -3.925
233 1HH2 ARG 41 1HH1 ARG 41 34.129 -12.717 -1.917
234 2HH2 ARG 41 2HH1 ARG 41 33.822 -11.724 -3.311
235 H ARG 42 H ARG 42 26.281 -9.167 -2.139
236 HA ARG 42 HA ARG 42 26.638 -10.302 -4.723
237 1HB ARG 42 2HB ARG 42 25.846 -7.596 -3.658
238 2HB ARG 42 1HB ARG 42 25.920 -7.882 -5.396
239 1HG ARG 42 2HG ARG 42 24.527 -10.093 -4.348
240 2HG ARG 42 1HG ARG 42 23.874 -8.696 -3.494
241 1HD ARG 42 2HD ARG 42 24.119 -8.926 -6.522
242 2HD ARG 42 1HD ARG 42 22.618 -9.114 -5.591
243 HE ARG 42 HE ARG 42 23.946 -6.636 -4.904
244 1HH1 ARG 42 1HH2 ARG 42 21.933 -8.205 -7.257
245 2HH1 ARG 42 2HH2 ARG 42 21.232 -6.729 -7.821
246 1HH2 ARG 42 1HH1 ARG 42 23.040 -4.710 -5.641
247 2HH2 ARG 42 2HH1 ARG 42 21.868 -4.747 -6.907
248 H GLU 43 H GLU 43 28.551 -7.844 -3.030
249 HA GLU 43 HA GLU 43 30.676 -6.935 -3.505
250 1HB GLU 43 2HB GLU 43 30.895 -9.504 -4.036
251 2HB GLU 43 1HB GLU 43 30.927 -8.969 -5.715
252 1HG GLU 43 2HG GLU 43 33.042 -8.188 -5.529
253 2HG GLU 43 1HG GLU 43 32.681 -7.362 -4.013
254 H GLY 44 H GLY 44 32.007 -6.235 -5.695
255 1HA GLY 44 2HA GLY 44 31.988 -5.009 -7.728
256 2HA GLY 44 1HA GLY 44 30.296 -5.471 -7.940
257 H GLN 45 HN GLN 45 31.891 -3.705 -5.259
258 HA GLN 45 HA GLN 45 30.054 -1.403 -5.823
259 1HB GLN 45 2HB GLN 45 30.868 -2.687 -3.197
260 2HB GLN 45 1HB GLN 45 29.925 -1.203 -3.333
261 1HG GLN 45 2HG GLN 45 28.449 -2.777 -4.948
262 2HG GLN 45 1HG GLN 45 29.112 -4.016 -3.883
263 1HE2 GLN 45 1HE2 GLN 45 28.981 -3.268 -1.396
264 2HE2 GLN 45 2HE2 GLN 45 27.497 -2.582 -0.943
Start of MODEL 6
1 1H ALA 1 1HT ALA 1 46.163 4.203 30.075
2 2H ALA 1 2HT ALA 1 46.270 4.154 31.770
3 3H ALA 1 3HT ALA 1 45.240 3.088 30.946
4 HA ALA 1 HA ALA 1 47.149 1.993 29.916
5 1HB ALA 1 1HB ALA 1 48.440 4.208 30.036
6 2HB ALA 1 2HB ALA 1 49.369 2.769 30.461
7 3HB ALA 1 3HB ALA 1 48.749 3.823 31.730
8 H LEU 2 H LEU 2 47.918 0.126 31.025
9 HA LEU 2 HA LEU 2 48.024 -1.473 32.758
10 1HB LEU 2 2HB LEU 2 48.612 1.186 33.999
11 2HB LEU 2 1HB LEU 2 48.292 -0.150 35.098
12 HG LEU 2 HG LEU 2 50.696 0.002 34.650
13 1HD1 LEU 2 1HD1 LEU 2 51.067 -2.267 34.238
14 2HD1 LEU 2 2HD1 LEU 2 49.790 -2.359 33.026
15 3HD1 LEU 2 3HD1 LEU 2 49.375 -2.263 34.737
16 1HD2 LEU 2 1HD2 LEU 2 50.110 -0.605 31.746
17 2HD2 LEU 2 2HD2 LEU 2 51.631 -0.082 32.469
18 3HD2 LEU 2 3HD2 LEU 2 50.288 1.051 32.327
19 H ALA 3 H ALA 3 46.901 -1.667 35.235
20 HA ALA 3 HA ALA 3 44.150 -0.629 35.173
21 1HB ALA 3 1HB ALA 3 43.835 -2.536 33.817
22 2HB ALA 3 2HB ALA 3 43.397 -3.111 35.426
23 3HB ALA 3 3HB ALA 3 44.982 -3.496 34.753
24 H ARG 4 H ARG 4 45.264 -3.550 36.842
25 HA ARG 4 HA ARG 4 45.307 -4.048 39.148
26 1HB ARG 4 2HB ARG 4 46.989 -1.710 38.525
27 2HB ARG 4 1HB ARG 4 46.567 -1.841 40.233
28 1HG ARG 4 2HG ARG 4 47.218 -4.354 39.964
29 2HG ARG 4 1HG ARG 4 48.052 -3.815 38.507
30 1HD ARG 4 2HD ARG 4 48.529 -2.255 41.022
31 2HD ARG 4 1HD ARG 4 49.312 -3.839 40.868
32 HE ARG 4 HE ARG 4 49.921 -1.470 39.269
33 1HH1 ARG 4 1HH2 ARG 4 49.875 -4.949 39.356
34 2HH1 ARG 4 2HH2 ARG 4 51.122 -5.120 38.172
35 1HH2 ARG 4 1HH1 ARG 4 51.556 -1.703 37.728
36 2HH2 ARG 4 2HH1 ARG 4 52.090 -3.281 37.269
37 H CYS 5 H CYS 5 42.829 -2.776 38.297
38 HA CYS 5 HA CYS 5 42.166 -1.018 40.617
39 1HB CYS 5 2HB CYS 5 40.129 -0.535 39.240
40 2HB CYS 5 1HB CYS 5 41.628 -0.156 38.400
41 HA PRO 6 HA PRO 6 40.399 -4.774 42.284
42 1HB PRO 6 2HB PRO 6 39.583 -3.686 44.670
43 2HB PRO 6 1HB PRO 6 41.257 -4.169 44.334
44 1HG PRO 6 2HG PRO 6 40.024 -1.466 44.305
45 2HG PRO 6 1HG PRO 6 41.634 -1.967 44.844
46 1HD PRO 6 2HD PRO 6 41.155 -0.754 42.440
47 2HD PRO 6 1HD PRO 6 42.523 -1.853 42.739
48 H GLY 7 H GLY 7 38.565 -1.721 42.857
49 1HA GLY 7 2HA GLY 7 36.083 -3.251 42.231
50 2HA GLY 7 1HA GLY 7 36.132 -1.798 43.222
51 H CYS 8 H CYS 8 37.198 -2.708 39.911
52 HA CYS 8 HA CYS 8 36.056 -0.092 38.986
53 1HB CYS 8 2HB CYS 8 37.646 -0.453 37.044
54 2HB CYS 8 1HB CYS 8 38.434 -0.257 38.605
55 H GLY 9 H GLY 9 36.139 -3.571 38.300
56 1HA GLY 9 2HA GLY 9 34.828 -4.899 36.875
57 2HA GLY 9 1HA GLY 9 33.527 -3.819 37.360
58 H GLN 10 H GLN 10 36.350 -2.752 35.512
59 HA GLN 10 HA GLN 10 36.463 -1.704 33.399
60 1HB GLN 10 2HB GLN 10 34.536 -4.008 32.911
61 2HB GLN 10 1HB GLN 10 35.353 -3.107 31.634
62 1HG GLN 10 2HG GLN 10 37.544 -3.762 32.568
63 2HG GLN 10 1HG GLN 10 36.725 -4.679 33.836
64 1HE2 GLN 10 1HE2 GLN 10 36.388 -6.854 33.344
65 2HE2 GLN 10 2HE2 GLN 10 36.336 -7.500 31.777
66 H GLY 11 H GLY 11 34.618 -0.397 35.145
67 1HA GLY 11 2HA GLY 11 31.991 0.005 34.298
68 2HA GLY 11 1HA GLY 11 32.981 1.294 34.976
69 H VAL 12 H VAL 12 34.860 1.743 33.036
70 HA VAL 12 HA VAL 12 33.264 2.334 30.570
71 HB VAL 12 HB VAL 12 33.544 4.276 32.134
72 1HG1 VAL 12 1HG1 VAL 12 36.478 4.192 31.424
73 2HG1 VAL 12 2HG1 VAL 12 35.857 3.478 32.913
74 3HG1 VAL 12 3HG1 VAL 12 35.675 5.207 32.618
75 1HG2 VAL 12 1HG2 VAL 12 34.193 5.854 30.438
76 2HG2 VAL 12 2HG2 VAL 12 33.391 4.515 29.618
77 3HG2 VAL 12 3HG2 VAL 12 35.150 4.637 29.591
78 H GLN 13 H GLN 13 34.736 0.054 30.534
79 HA GLN 13 HA GLN 13 37.507 0.396 29.805
80 1HB GLN 13 2HB GLN 13 37.285 -1.986 29.125
81 2HB GLN 13 1HB GLN 13 36.568 -1.696 30.706
82 1HG GLN 13 2HG GLN 13 34.480 -2.216 29.983
83 2HG GLN 13 1HG GLN 13 34.680 -1.327 28.475
84 1HE2 GLN 13 1HE2 GLN 13 33.440 -3.842 28.360
85 2HE2 GLN 13 2HE2 GLN 13 34.481 -4.958 27.619
86 H ALA 14 H ALA 14 38.425 0.566 27.732
87 HA ALA 14 HA ALA 14 36.515 0.914 25.441
88 1HB ALA 14 1HB ALA 14 39.161 2.320 25.945
89 2HB ALA 14 2HB ALA 14 37.593 2.991 26.393
90 3HB ALA 14 3HB ALA 14 37.974 2.707 24.696
91 H GLY 15 H GLY 15 36.972 -0.388 23.696
92 1HA GLY 15 2HA GLY 15 39.131 -2.313 23.827
93 2HA GLY 15 1HA GLY 15 38.016 -2.110 22.473
94 H CYS 16 H CYS 16 38.426 0.380 21.555
95 HA CYS 16 HA CYS 16 41.357 0.422 20.856
96 1HB CYS 16 2HB CYS 16 39.019 1.542 19.274
97 2HB CYS 16 1HB CYS 16 40.642 1.175 18.693
98 HA PRO 17 HA PRO 17 41.122 4.367 22.994
99 1HB PRO 17 2HB PRO 17 43.777 5.011 22.676
100 2HB PRO 17 1HB PRO 17 43.190 3.867 23.899
101 1HG PRO 17 2HG PRO 17 44.451 3.336 21.254
102 2HG PRO 17 1HG PRO 17 44.666 2.489 22.793
103 1HD PRO 17 2HD PRO 17 43.118 1.560 20.750
104 2HD PRO 17 1HD PRO 17 42.834 1.162 22.464
105 H GLY 18 H GLY 18 39.811 5.007 20.971
106 1HA GLY 18 2HA GLY 18 39.952 7.315 19.849
107 2HA GLY 18 1HA GLY 18 41.448 6.714 19.137
108 H GLY 19 H GLY 19 40.704 4.127 18.412
109 1HA GLY 19 2HA GLY 19 38.288 3.595 17.209
110 2HA GLY 19 1HA GLY 19 39.096 4.673 16.061
111 H CYS 20 H CYS 20 38.452 1.767 15.871
112 HA CYS 20 HA CYS 20 41.192 0.597 15.638
113 1HB CYS 20 2HB CYS 20 38.462 -0.368 16.270
114 2HB CYS 20 1HB CYS 20 39.361 -1.413 15.169
115 H VAL 21 H VAL 21 41.328 -0.946 13.663
116 HA VAL 21 HA VAL 21 40.696 0.589 11.245
117 HB VAL 21 HB VAL 21 41.852 -2.214 11.497
118 1HG1 VAL 21 1HG1 VAL 21 41.395 -1.638 9.212
119 2HG1 VAL 21 2HG1 VAL 21 43.122 -1.364 9.449
120 3HG1 VAL 21 3HG1 VAL 21 42.007 0.001 9.439
121 1HG2 VAL 21 1HG2 VAL 21 44.038 -0.702 11.269
122 2HG2 VAL 21 2HG2 VAL 21 43.357 -1.082 12.852
123 3HG2 VAL 21 3HG2 VAL 21 43.016 0.474 12.091
124 H GLU 22 H GLU 22 38.250 0.205 12.102
125 HA GLU 22 HA GLU 22 37.160 -2.095 10.571
126 1HB GLU 22 2HB GLU 22 36.670 -1.054 13.351
127 2HB GLU 22 1HB GLU 22 35.380 -1.898 12.506
128 1HG GLU 22 2HG GLU 22 38.022 -3.234 12.398
129 2HG GLU 22 1HG GLU 22 37.294 -3.150 14.001
130 H GLU 23 H GLU 23 37.526 0.666 9.670
131 HA GLU 23 HA GLU 23 35.131 2.205 9.982
132 1HB GLU 23 2HB GLU 23 37.352 2.182 7.912
133 2HB GLU 23 1HB GLU 23 36.133 3.453 8.038
134 1HG GLU 23 2HG GLU 23 36.849 4.010 10.285
135 2HG GLU 23 1HG GLU 23 37.944 2.630 10.325
136 H GLU 24 H GLU 24 33.671 2.749 8.077
137 HA GLU 24 HA GLU 24 32.423 0.362 7.060
138 1HB GLU 24 2HB GLU 24 30.943 2.021 5.938
139 2HB GLU 24 1HB GLU 24 31.207 2.405 7.638
140 1HG GLU 24 2HG GLU 24 33.253 3.618 5.959
141 2HG GLU 24 1HG GLU 24 31.640 4.120 5.456
142 H ASP 25 H ASP 25 32.090 -0.142 4.784
143 HA ASP 25 HA ASP 25 34.529 0.086 3.183
144 1HB ASP 25 2HB ASP 25 33.515 -2.009 3.016
145 2HB ASP 25 1HB ASP 25 31.889 -1.339 3.099
146 H GLY 26 H GLY 26 31.103 0.757 2.360
147 1HA GLY 26 2HA GLY 26 31.413 3.459 1.594
148 2HA GLY 26 1HA GLY 26 31.752 2.482 0.168
149 H GLY 27 H GLY 27 29.256 3.251 2.561
150 1HA GLY 27 2HA GLY 27 27.048 3.527 1.070
151 2HA GLY 27 1HA GLY 27 27.217 1.772 1.004
152 H SER 28 H SER 28 25.465 4.004 2.536
153 HA SER 28 HA SER 28 25.769 2.966 5.296
154 1HB SER 28 2HB SER 28 25.079 5.394 4.107
155 2HB SER 28 1HB SER 28 23.564 4.802 4.768
156 HG SER 28 HG SER 28 24.617 5.925 6.375
157 HA PRO 29 HA PRO 29 22.368 0.165 4.850
158 1HB PRO 29 2HB PRO 29 21.747 -0.186 7.481
159 2HB PRO 29 1HB PRO 29 23.197 -0.875 6.729
160 1HG PRO 29 2HG PRO 29 22.931 1.463 8.522
161 2HG PRO 29 1HG PRO 29 24.272 0.325 8.338
162 1HD PRO 29 2HD PRO 29 24.156 2.901 7.275
163 2HD PRO 29 1HD PRO 29 25.281 1.616 6.784
164 H ALA 30 H ALA 30 21.857 3.318 5.283
165 HA ALA 30 HA ALA 30 18.954 2.997 5.860
166 1HB ALA 30 1HB ALA 30 19.618 4.182 7.726
167 2HB ALA 30 2HB ALA 30 19.463 5.545 6.616
168 3HB ALA 30 3HB ALA 30 21.046 4.831 6.918
169 H GLU 31 H GLU 31 20.867 3.356 3.344
170 HA GLU 31 HA GLU 31 18.999 5.020 1.849
171 1HB GLU 31 2HB GLU 31 21.227 6.368 1.122
172 2HB GLU 31 1HB GLU 31 20.197 6.905 2.444
173 1HG GLU 31 2HG GLU 31 21.875 6.605 3.933
174 2HG GLU 31 1HG GLU 31 22.108 4.941 3.402
175 H GLY 32 H GLY 32 22.452 4.305 1.291
176 1HA GLY 32 2HA GLY 32 21.964 3.273 -1.352
177 2HA GLY 32 1HA GLY 32 23.483 3.122 -0.468
178 H CYS 33 H CYS 33 22.991 1.584 1.651
179 HA CYS 33 HA CYS 33 22.265 -1.023 0.453
180 1HB CYS 33 2HB CYS 33 24.281 -0.392 1.992
181 2HB CYS 33 1HB CYS 33 23.109 -0.507 3.303
182 H ALA 34 H ALA 34 19.927 -0.235 0.286
183 HA ALA 34 HA ALA 34 18.435 -1.122 2.704
184 1HB ALA 34 1HB ALA 34 16.975 0.952 2.401
185 2HB ALA 34 2HB ALA 34 18.223 1.567 1.317
186 3HB ALA 34 3HB ALA 34 18.601 1.257 3.012
187 H GLU 35 H GLU 35 18.722 -2.606 0.382
188 HA GLU 35 HA GLU 35 16.201 -2.155 -1.171
189 1HB GLU 35 2HB GLU 35 18.653 -3.852 -1.760
190 2HB GLU 35 1HB GLU 35 17.329 -3.513 -2.877
191 1HG GLU 35 2HG GLU 35 17.952 -0.976 -2.289
192 2HG GLU 35 1HG GLU 35 19.523 -1.699 -1.938
193 H ALA 36 H ALA 36 15.549 -4.581 -2.103
194 HA ALA 36 HA ALA 36 14.779 -6.096 0.324
195 1HB ALA 36 1HB ALA 36 13.124 -7.013 -1.101
196 2HB ALA 36 2HB ALA 36 14.086 -6.726 -2.550
197 3HB ALA 36 3HB ALA 36 13.323 -5.372 -1.713
198 H GLU 37 H GLU 37 17.410 -6.208 -1.760
199 HA GLU 37 HA GLU 37 17.701 -9.155 -1.432
200 1HB GLU 37 2HB GLU 37 18.071 -7.282 -3.639
201 2HB GLU 37 1HB GLU 37 19.451 -8.359 -3.419
202 1HG GLU 37 2HG GLU 37 18.253 -9.911 -4.554
203 2HG GLU 37 1HG GLU 37 17.226 -10.028 -3.125
204 H GLY 38 H GLY 38 18.475 -7.061 0.523
205 1HA GLY 38 2HA GLY 38 20.262 -6.689 1.991
206 2HA GLY 38 1HA GLY 38 21.089 -8.031 1.196
207 H CYS 39 H CYS 39 22.942 -7.443 0.202
208 HA CYS 39 HA CYS 39 23.075 -4.920 -1.348
209 1HB CYS 39 2HB CYS 39 24.074 -5.283 1.343
210 2HB CYS 39 1HB CYS 39 25.411 -4.944 0.247
211 H LEU 40 H LEU 40 23.435 -7.977 -1.752
212 HA LEU 40 HA LEU 40 25.942 -7.706 -3.282
213 1HB LEU 40 2HB LEU 40 26.386 -10.196 -2.473
214 2HB LEU 40 1HB LEU 40 26.923 -8.834 -1.511
215 HG LEU 40 HG LEU 40 25.745 -10.760 -0.293
216 1HD1 LEU 40 1HD1 LEU 40 24.149 -8.762 0.780
217 2HD1 LEU 40 2HD1 LEU 40 25.477 -7.883 0.025
218 3HD1 LEU 40 3HD1 LEU 40 25.815 -9.123 1.229
219 1HD2 LEU 40 1HD2 LEU 40 23.124 -10.006 -0.330
220 2HD2 LEU 40 2HD2 LEU 40 23.776 -11.372 -1.231
221 3HD2 LEU 40 3HD2 LEU 40 23.555 -9.820 -2.024
222 H ARG 41 H ARG 41 26.201 -9.739 -4.773
223 HA ARG 41 HA ARG 41 25.319 -10.827 -6.679
224 1HB ARG 41 2HB ARG 41 24.374 -11.878 -4.246
225 2HB ARG 41 1HB ARG 41 22.957 -11.823 -5.300
226 1HG ARG 41 2HG ARG 41 25.504 -12.853 -6.482
227 2HG ARG 41 1HG ARG 41 24.661 -13.894 -5.334
228 1HD ARG 41 2HD ARG 41 23.210 -14.484 -6.962
229 2HD ARG 41 1HD ARG 41 22.690 -12.792 -7.100
230 HE ARG 41 HE ARG 41 25.106 -12.823 -8.453
231 1HH1 ARG 41 1HH2 ARG 41 22.157 -14.668 -8.628
232 2HH1 ARG 41 2HH2 ARG 41 22.342 -15.019 -10.309
233 1HH2 ARG 41 1HH1 ARG 41 25.322 -13.273 -10.650
234 2HH2 ARG 41 2HH1 ARG 41 24.116 -14.226 -11.456
235 H ARG 42 H ARG 42 24.423 -8.055 -6.407
236 HA ARG 42 HA ARG 42 21.595 -8.113 -7.219
237 1HB ARG 42 2HB ARG 42 23.263 -6.371 -5.759
238 2HB ARG 42 1HB ARG 42 22.929 -5.513 -7.264
239 1HG ARG 42 2HG ARG 42 20.690 -6.845 -5.761
240 2HG ARG 42 1HG ARG 42 21.273 -5.259 -5.250
241 1HD ARG 42 2HD ARG 42 20.967 -5.257 -8.120
242 2HD ARG 42 1HD ARG 42 19.449 -5.801 -7.380
243 HE ARG 42 HE ARG 42 20.067 -3.693 -5.772
244 1HH1 ARG 42 1HH2 ARG 42 20.171 -4.028 -9.266
245 2HH1 ARG 42 2HH2 ARG 42 19.908 -2.334 -9.534
246 1HH2 ARG 42 1HH1 ARG 42 19.703 -1.521 -6.192
247 2HH2 ARG 42 2HH1 ARG 42 19.555 -0.974 -7.839
248 H GLU 43 H GLU 43 23.109 -9.388 -9.113
249 HA GLU 43 HA GLU 43 23.081 -7.475 -11.370
250 1HB GLU 43 2HB GLU 43 25.220 -8.627 -12.145
251 2HB GLU 43 1HB GLU 43 25.401 -7.650 -10.695
252 1HG GLU 43 2HG GLU 43 26.337 -9.500 -9.770
253 2HG GLU 43 1HG GLU 43 24.695 -10.108 -9.659
254 H GLY 44 H GLY 44 22.720 -8.549 -13.425
255 1HA GLY 44 2HA GLY 44 22.160 -11.440 -13.460
256 2HA GLY 44 1HA GLY 44 20.752 -10.406 -13.704
257 H GLN 45 HN GLN 45 24.090 -9.886 -14.833
258 HA GLN 45 HA GLN 45 23.411 -10.541 -17.614
259 1HB GLN 45 2HB GLN 45 23.999 -8.092 -18.244
260 2HB GLN 45 1HB GLN 45 22.388 -8.400 -17.603
261 1HG GLN 45 2HG GLN 45 22.770 -7.026 -15.845
262 2HG GLN 45 1HG GLN 45 24.247 -7.894 -15.428
263 1HE2 GLN 45 1HE2 GLN 45 26.258 -7.232 -16.630
264 2HE2 GLN 45 2HE2 GLN 45 26.394 -5.636 -17.203
Start of MODEL 7
1 1H ALA 1 1HT ALA 1 -19.112 14.911 20.278
2 2H ALA 1 2HT ALA 1 -20.595 14.480 20.987
3 3H ALA 1 3HT ALA 1 -19.746 13.354 20.043
4 HA ALA 1 HA ALA 1 -17.983 13.241 21.657
5 1HB ALA 1 1HB ALA 1 -18.138 15.621 22.296
6 2HB ALA 1 2HB ALA 1 -18.255 14.601 23.729
7 3HB ALA 1 3HB ALA 1 -19.712 15.323 23.043
8 H LEU 2 H LEU 2 -18.212 11.665 23.346
9 HA LEU 2 HA LEU 2 -19.261 9.948 24.563
10 1HB LEU 2 2HB LEU 2 -20.319 12.311 25.333
11 2HB LEU 2 1HB LEU 2 -21.778 11.520 24.741
12 HG LEU 2 HG LEU 2 -20.956 9.484 26.166
13 1HD1 LEU 2 1HD1 LEU 2 -19.531 11.768 27.559
14 2HD1 LEU 2 2HD1 LEU 2 -18.723 10.520 26.612
15 3HD1 LEU 2 3HD1 LEU 2 -19.592 10.086 28.082
16 1HD2 LEU 2 1HD2 LEU 2 -21.908 12.000 27.575
17 2HD2 LEU 2 2HD2 LEU 2 -22.179 10.334 28.088
18 3HD2 LEU 2 3HD2 LEU 2 -22.951 10.941 26.625
19 H ALA 3 H ALA 3 -19.361 8.620 22.610
20 HA ALA 3 HA ALA 3 -20.483 7.154 21.155
21 1HB ALA 3 1HB ALA 3 -21.877 7.106 23.347
22 2HB ALA 3 2HB ALA 3 -22.633 6.497 21.879
23 3HB ALA 3 3HB ALA 3 -23.036 8.110 22.458
24 H ARG 4 H ARG 4 -22.440 7.159 19.515
25 HA ARG 4 HA ARG 4 -23.584 9.614 18.584
26 1HB ARG 4 2HB ARG 4 -21.100 9.955 18.175
27 2HB ARG 4 1HB ARG 4 -21.189 8.650 16.998
28 1HG ARG 4 2HG ARG 4 -21.412 10.804 15.865
29 2HG ARG 4 1HG ARG 4 -22.931 9.916 15.759
30 1HD ARG 4 2HD ARG 4 -24.018 11.332 17.274
31 2HD ARG 4 1HD ARG 4 -22.501 11.843 18.034
32 HE ARG 4 HE ARG 4 -22.351 12.638 15.331
33 1HH1 ARG 4 1HH2 ARG 4 -24.335 13.275 18.131
34 2HH1 ARG 4 2HH2 ARG 4 -24.729 14.882 17.638
35 1HH2 ARG 4 1HH1 ARG 4 -22.875 14.715 14.694
36 2HH2 ARG 4 2HH1 ARG 4 -23.906 15.686 15.686
37 H CYS 5 H CYS 5 -22.071 6.697 17.105
38 HA CYS 5 HA CYS 5 -24.782 5.941 16.076
39 1HB CYS 5 2HB CYS 5 -22.940 7.135 14.563
40 2HB CYS 5 1HB CYS 5 -22.368 5.476 14.389
41 HA PRO 6 HA PRO 6 -22.885 2.446 18.367
42 1HB PRO 6 2HB PRO 6 -25.332 1.516 19.213
43 2HB PRO 6 1HB PRO 6 -24.417 2.778 20.064
44 1HG PRO 6 2HG PRO 6 -26.671 3.059 18.122
45 2HG PRO 6 1HG PRO 6 -26.407 3.894 19.666
46 1HD PRO 6 2HD PRO 6 -25.833 5.094 17.321
47 2HD PRO 6 1HD PRO 6 -24.826 5.331 18.775
48 H GLY 7 H GLY 7 -22.276 1.293 16.448
49 1HA GLY 7 2HA GLY 7 -22.531 -0.739 15.215
50 2HA GLY 7 1HA GLY 7 -24.256 -0.708 15.557
51 H CYS 8 H CYS 8 -23.054 2.315 14.391
52 HA CYS 8 HA CYS 8 -23.628 1.576 11.564
53 1HB CYS 8 2HB CYS 8 -25.154 3.659 11.535
54 2HB CYS 8 1HB CYS 8 -25.786 2.222 12.334
55 H GLY 9 H GLY 9 -23.170 3.583 10.124
56 1HA GLY 9 2HA GLY 9 -21.918 5.631 9.754
57 2HA GLY 9 1HA GLY 9 -21.106 5.380 11.305
58 H GLN 10 H GLN 10 -20.519 5.285 8.077
59 HA GLN 10 HA GLN 10 -18.955 2.828 7.921
60 1HB GLN 10 2HB GLN 10 -19.401 5.234 6.139
61 2HB GLN 10 1HB GLN 10 -18.336 3.905 5.679
62 1HG GLN 10 2HG GLN 10 -20.717 2.691 6.594
63 2HG GLN 10 1HG GLN 10 -21.229 4.027 5.562
64 1HE2 GLN 10 1HE2 GLN 10 -19.495 0.942 5.593
65 2HE2 GLN 10 2HE2 GLN 10 -19.347 0.808 3.907
66 H GLY 11 H GLY 11 -17.965 4.233 10.097
67 1HA GLY 11 2HA GLY 11 -15.577 5.742 9.183
68 2HA GLY 11 1HA GLY 11 -16.107 5.575 10.857
69 H VAL 12 H VAL 12 -15.198 3.326 8.214
70 HA VAL 12 HA VAL 12 -13.352 1.964 10.143
71 HB VAL 12 HB VAL 12 -15.081 0.606 8.044
72 1HG1 VAL 12 1HG1 VAL 12 -13.326 -0.294 10.326
73 2HG1 VAL 12 2HG1 VAL 12 -13.327 -0.847 8.652
74 3HG1 VAL 12 3HG1 VAL 12 -14.628 -1.326 9.741
75 1HG2 VAL 12 1HG2 VAL 12 -15.650 1.318 10.922
76 2HG2 VAL 12 2HG2 VAL 12 -16.367 -0.125 10.206
77 3HG2 VAL 12 3HG2 VAL 12 -16.711 1.462 9.519
78 H GLN 13 H GLN 13 -12.048 3.710 8.704
79 HA GLN 13 HA GLN 13 -11.036 2.298 6.285
80 1HB GLN 13 2HB GLN 13 -12.332 4.455 5.985
81 2HB GLN 13 1HB GLN 13 -11.032 5.274 6.854
82 1HG GLN 13 2HG GLN 13 -9.657 3.789 4.965
83 2HG GLN 13 1HG GLN 13 -11.101 4.291 4.084
84 1HE2 GLN 13 1HE2 GLN 13 -8.060 5.272 4.318
85 2HE2 GLN 13 2HE2 GLN 13 -8.245 6.959 4.362
86 H ALA 14 H ALA 14 -9.222 1.293 7.115
87 HA ALA 14 HA ALA 14 -7.144 3.057 8.351
88 1HB ALA 14 1HB ALA 14 -6.665 0.839 9.712
89 2HB ALA 14 2HB ALA 14 -8.339 0.458 9.304
90 3HB ALA 14 3HB ALA 14 -7.964 1.910 10.230
91 H GLY 15 H GLY 15 -7.275 -0.428 7.555
92 1HA GLY 15 2HA GLY 15 -6.227 -0.933 5.206
93 2HA GLY 15 1HA GLY 15 -4.855 -0.036 5.852
94 H CYS 16 H CYS 16 -4.383 -0.895 8.282
95 HA CYS 16 HA CYS 16 -3.560 -3.689 7.933
96 1HB CYS 16 2HB CYS 16 -3.410 -1.994 10.439
97 2HB CYS 16 1HB CYS 16 -2.326 -3.305 9.958
98 HA PRO 17 HA PRO 17 -7.073 -5.548 9.848
99 1HB PRO 17 2HB PRO 17 -5.907 -7.777 10.960
100 2HB PRO 17 1HB PRO 17 -6.240 -7.608 9.223
101 1HG PRO 17 2HG PRO 17 -3.686 -7.195 10.708
102 2HG PRO 17 1HG PRO 17 -3.966 -7.989 9.148
103 1HD PRO 17 2HD PRO 17 -3.003 -5.474 9.325
104 2HD PRO 17 1HD PRO 17 -4.066 -5.992 7.992
105 H GLY 18 H GLY 18 -4.190 -4.880 11.757
106 1HA GLY 18 2HA GLY 18 -5.562 -3.719 13.936
107 2HA GLY 18 1HA GLY 18 -5.283 -5.410 14.358
108 H GLY 19 H GLY 19 -3.677 -2.377 13.536
109 1HA GLY 19 2HA GLY 19 -1.670 -1.628 14.617
110 2HA GLY 19 1HA GLY 19 -1.312 -3.302 15.053
111 H CYS 20 H CYS 20 0.231 -1.161 13.518
112 HA CYS 20 HA CYS 20 1.067 -2.958 11.284
113 1HB CYS 20 2HB CYS 20 -0.392 -0.510 11.055
114 2HB CYS 20 1HB CYS 20 1.219 -0.246 10.390
115 H VAL 21 H VAL 21 3.137 -3.373 11.896
116 HA VAL 21 HA VAL 21 4.781 -1.220 13.131
117 HB VAL 21 HB VAL 21 5.506 -4.138 12.727
118 1HG1 VAL 21 1HG1 VAL 21 7.274 -2.566 13.488
119 2HG1 VAL 21 2HG1 VAL 21 6.875 -3.754 14.727
120 3HG1 VAL 21 3HG1 VAL 21 6.260 -2.107 14.857
121 1HG2 VAL 21 1HG2 VAL 21 4.617 -4.232 15.217
122 2HG2 VAL 21 2HG2 VAL 21 3.484 -4.420 13.877
123 3HG2 VAL 21 3HG2 VAL 21 3.625 -2.869 14.706
124 H GLU 22 H GLU 22 4.306 -0.777 10.395
125 HA GLU 22 HA GLU 22 6.566 -1.831 8.851
126 1HB GLU 22 2HB GLU 22 4.338 0.139 8.264
127 2HB GLU 22 1HB GLU 22 5.467 -0.484 7.066
128 1HG GLU 22 2HG GLU 22 4.615 -2.823 8.140
129 2HG GLU 22 1HG GLU 22 3.169 -1.837 8.373
130 H GLU 23 H GLU 23 5.706 1.072 10.622
131 HA GLU 23 HA GLU 23 6.908 3.024 11.132
132 1HB GLU 23 2HB GLU 23 8.610 0.868 11.221
133 2HB GLU 23 1HB GLU 23 9.453 1.930 10.093
134 1HG GLU 23 2HG GLU 23 10.275 2.735 12.115
135 2HG GLU 23 1HG GLU 23 8.867 3.777 11.911
136 H GLU 24 H GLU 24 9.132 4.156 9.795
137 HA GLU 24 HA GLU 24 8.046 4.662 7.072
138 1HB GLU 24 2HB GLU 24 8.029 6.348 9.245
139 2HB GLU 24 1HB GLU 24 9.529 6.817 8.448
140 1HG GLU 24 2HG GLU 24 8.378 7.954 6.888
141 2HG GLU 24 1HG GLU 24 7.493 6.497 6.446
142 H ASP 25 H ASP 25 10.246 6.494 6.449
143 HA ASP 25 HA ASP 25 12.292 4.504 5.739
144 1HB ASP 25 2HB ASP 25 11.275 7.011 4.781
145 2HB ASP 25 1HB ASP 25 13.005 7.198 5.061
146 H GLY 26 H GLY 26 14.420 4.491 6.537
147 1HA GLY 26 2HA GLY 26 14.880 5.622 9.159
148 2HA GLY 26 1HA GLY 26 16.090 4.798 8.171
149 H GLY 27 H GLY 27 15.243 6.865 5.966
150 1HA GLY 27 2HA GLY 27 15.592 9.344 5.866
151 2HA GLY 27 1HA GLY 27 16.866 9.131 7.073
152 H SER 28 H SER 28 18.921 8.813 6.334
153 HA SER 28 HA SER 28 19.269 8.250 3.405
154 1HB SER 28 2HB SER 28 21.644 9.325 4.333
155 2HB SER 28 1HB SER 28 20.362 10.240 3.555
156 HG SER 28 HG SER 28 19.846 11.106 5.424
157 HA PRO 29 HA PRO 29 20.972 4.558 5.533
158 1HB PRO 29 2HB PRO 29 20.360 2.809 3.515
159 2HB PRO 29 1HB PRO 29 19.204 3.277 4.778
160 1HG PRO 29 2HG PRO 29 19.424 4.220 1.966
161 2HG PRO 29 1HG PRO 29 17.983 3.920 2.947
162 1HD PRO 29 2HD PRO 29 19.005 6.417 2.450
163 2HD PRO 29 1HD PRO 29 18.024 6.003 3.875
164 H ALA 30 H ALA 30 23.194 4.494 5.377
165 HA ALA 30 HA ALA 30 24.435 4.491 2.667
166 1HB ALA 30 1HB ALA 30 24.780 6.564 3.978
167 2HB ALA 30 2HB ALA 30 26.299 5.702 3.733
168 3HB ALA 30 3HB ALA 30 25.471 5.606 5.287
169 H GLU 31 H GLU 31 23.600 2.119 4.231
170 HA GLU 31 HA GLU 31 26.085 0.998 5.309
171 1HB GLU 31 2HB GLU 31 24.621 -0.900 5.875
172 2HB GLU 31 1HB GLU 31 23.890 0.619 6.360
173 1HG GLU 31 2HG GLU 31 22.090 0.254 5.062
174 2HG GLU 31 1HG GLU 31 23.100 -0.050 3.655
175 H GLY 32 H GLY 32 24.109 0.748 2.419
176 1HA GLY 32 2HA GLY 32 25.717 0.148 0.435
177 2HA GLY 32 1HA GLY 32 25.935 -1.347 1.342
178 H CYS 33 H CYS 33 23.378 -1.906 2.204
179 HA CYS 33 HA CYS 33 21.943 -2.339 -0.396
180 1HB CYS 33 2HB CYS 33 22.667 -3.997 1.934
181 2HB CYS 33 1HB CYS 33 20.999 -4.200 1.404
182 H ALA 34 H ALA 34 20.606 -0.427 -0.254
183 HA ALA 34 HA ALA 34 18.848 -0.157 2.143
184 1HB ALA 34 1HB ALA 34 19.215 1.574 -0.329
185 2HB ALA 34 2HB ALA 34 20.074 1.795 1.195
186 3HB ALA 34 3HB ALA 34 18.327 2.024 1.124
187 H GLU 35 H GLU 35 18.466 -2.422 0.372
188 HA GLU 35 HA GLU 35 15.686 -1.846 -0.579
189 1HB GLU 35 2HB GLU 35 17.933 -3.280 -2.040
190 2HB GLU 35 1HB GLU 35 16.254 -3.288 -2.574
191 1HG GLU 35 2HG GLU 35 16.568 -0.630 -2.292
192 2HG GLU 35 1HG GLU 35 18.244 -1.063 -2.617
193 H ALA 36 H ALA 36 14.741 -4.228 -1.219
194 HA ALA 36 HA ALA 36 15.001 -5.810 1.261
195 1HB ALA 36 1HB ALA 36 12.945 -6.757 0.585
196 2HB ALA 36 2HB ALA 36 13.258 -6.434 -1.121
197 3HB ALA 36 3HB ALA 36 12.850 -5.107 -0.033
198 H GLU 37 H GLU 37 17.290 -5.854 -0.596
199 HA GLU 37 HA GLU 37 17.200 -8.367 -2.061
200 1HB GLU 37 2HB GLU 37 18.589 -6.211 -2.498
201 2HB GLU 37 1HB GLU 37 19.670 -6.830 -1.244
202 1HG GLU 37 2HG GLU 37 20.390 -8.597 -2.533
203 2HG GLU 37 1HG GLU 37 18.863 -8.728 -3.405
204 H GLY 38 H GLY 38 18.150 -7.324 1.159
205 1HA GLY 38 2HA GLY 38 18.717 -8.628 3.040
206 2HA GLY 38 1HA GLY 38 18.290 -10.054 2.097
207 H CYS 39 H CYS 39 20.825 -7.598 2.329
208 HA CYS 39 HA CYS 39 22.801 -9.564 1.268
209 1HB CYS 39 2HB CYS 39 23.421 -6.703 1.933
210 2HB CYS 39 1HB CYS 39 24.021 -7.688 0.600
211 H LEU 40 H LEU 40 23.658 -10.796 2.929
212 HA LEU 40 HA LEU 40 24.544 -9.355 5.382
213 1HB LEU 40 2HB LEU 40 22.530 -11.300 5.116
214 2HB LEU 40 1HB LEU 40 23.903 -12.159 5.812
215 HG LEU 40 HG LEU 40 22.928 -9.514 6.903
216 1HD1 LEU 40 1HD1 LEU 40 21.046 -10.962 7.163
217 2HD1 LEU 40 2HD1 LEU 40 21.892 -11.016 8.710
218 3HD1 LEU 40 3HD1 LEU 40 22.070 -12.342 7.560
219 1HD2 LEU 40 1HD2 LEU 40 24.348 -9.971 8.712
220 2HD2 LEU 40 2HD2 LEU 40 25.279 -10.598 7.353
221 3HD2 LEU 40 3HD2 LEU 40 24.371 -11.702 8.383
222 H ARG 41 H ARG 41 24.962 -12.627 3.943
223 HA ARG 41 HA ARG 41 27.853 -12.194 3.724
224 1HB ARG 41 2HB ARG 41 26.624 -13.229 6.084
225 2HB ARG 41 1HB ARG 41 27.464 -14.576 5.314
226 1HG ARG 41 2HG ARG 41 29.529 -13.661 5.664
227 2HG ARG 41 1HG ARG 41 28.955 -12.017 5.379
228 1HD ARG 41 2HD ARG 41 29.183 -11.782 7.649
229 2HD ARG 41 1HD ARG 41 27.649 -12.665 7.724
230 HE ARG 41 HE ARG 41 28.851 -14.693 8.198
231 1HH1 ARG 41 1HH2 ARG 41 30.955 -11.969 7.641
232 2HH1 ARG 41 2HH2 ARG 41 32.331 -12.744 8.341
233 1HH2 ARG 41 1HH1 ARG 41 30.666 -15.683 9.086
234 2HH2 ARG 41 2HH1 ARG 41 32.172 -14.833 9.149
235 H ARG 42 H ARG 42 28.146 -15.257 3.855
236 HA ARG 42 HA ARG 42 27.607 -15.765 1.059
237 1HB ARG 42 2HB ARG 42 28.689 -17.302 3.409
238 2HB ARG 42 1HB ARG 42 28.392 -18.115 1.874
239 1HG ARG 42 2HG ARG 42 29.719 -15.828 1.077
240 2HG ARG 42 1HG ARG 42 30.517 -16.215 2.600
241 1HD ARG 42 2HD ARG 42 30.247 -18.697 1.287
242 2HD ARG 42 1HD ARG 42 30.767 -17.556 0.029
243 HE ARG 42 HE ARG 42 32.270 -17.082 2.441
244 1HH1 ARG 42 1HH2 ARG 42 31.907 -19.321 -0.184
245 2HH1 ARG 42 2HH2 ARG 42 33.545 -19.860 -0.119
246 1HH2 ARG 42 1HH1 ARG 42 34.422 -17.790 2.528
247 2HH2 ARG 42 2HH1 ARG 42 34.979 -18.997 1.419
248 H GLU 43 H GLU 43 25.217 -15.503 3.174
249 HA GLU 43 HA GLU 43 23.919 -18.105 3.022
250 1HB GLU 43 2HB GLU 43 22.839 -15.357 3.703
251 2HB GLU 43 1HB GLU 43 22.087 -16.892 4.116
252 1HG GLU 43 2HG GLU 43 24.914 -16.507 5.001
253 2HG GLU 43 1HG GLU 43 23.689 -15.556 5.834
254 H GLY 44 H GLY 44 24.177 -18.224 0.569
255 1HA GLY 44 2HA GLY 44 22.480 -16.406 -1.002
256 2HA GLY 44 1HA GLY 44 23.466 -17.723 -1.647
257 H GLN 45 HN GLN 45 20.527 -17.170 0.315
258 HA GLN 45 HA GLN 45 19.202 -19.384 -1.178
259 1HB GLN 45 2HB GLN 45 20.253 -19.560 1.455
260 2HB GLN 45 1HB GLN 45 18.498 -19.497 1.621
261 1HG GLN 45 2HG GLN 45 18.512 -21.257 -0.319
262 2HG GLN 45 1HG GLN 45 20.188 -21.513 0.157
263 1HE2 GLN 45 1HE2 GLN 45 19.991 -21.236 2.976
264 2HE2 GLN 45 2HE2 GLN 45 18.996 -22.469 3.582
Start of MODEL 8
1 1H ALA 1 1HT ALA 1 66.906 4.056 -21.460
2 2H ALA 1 2HT ALA 1 66.973 5.752 -21.559
3 3H ALA 1 3HT ALA 1 65.691 4.992 -20.743
4 HA ALA 1 HA ALA 1 67.151 4.226 -19.006
5 1HB ALA 1 1HB ALA 1 69.294 5.517 -20.735
6 2HB ALA 1 2HB ALA 1 69.011 3.778 -20.612
7 3HB ALA 1 3HB ALA 1 69.565 4.684 -19.204
8 H LEU 2 H LEU 2 66.557 5.611 -17.387
9 HA LEU 2 HA LEU 2 67.587 8.326 -17.246
10 1HB LEU 2 2HB LEU 2 65.588 8.287 -18.909
11 2HB LEU 2 1HB LEU 2 64.590 8.060 -17.473
12 HG LEU 2 HG LEU 2 65.748 10.121 -16.503
13 1HD1 LEU 2 1HD1 LEU 2 67.014 9.928 -19.158
14 2HD1 LEU 2 2HD1 LEU 2 67.574 10.749 -17.701
15 3HD1 LEU 2 3HD1 LEU 2 66.410 11.538 -18.765
16 1HD2 LEU 2 1HD2 LEU 2 64.173 10.613 -19.046
17 2HD2 LEU 2 2HD2 LEU 2 64.240 11.634 -17.611
18 3HD2 LEU 2 3HD2 LEU 2 63.433 10.069 -17.539
19 H ALA 3 H ALA 3 64.768 6.426 -16.091
20 HA ALA 3 HA ALA 3 64.913 7.450 -13.396
21 1HB ALA 3 1HB ALA 3 63.184 5.797 -12.992
22 2HB ALA 3 2HB ALA 3 63.670 4.879 -14.420
23 3HB ALA 3 3HB ALA 3 62.916 6.463 -14.604
24 H ARG 4 H ARG 4 66.544 6.920 -11.991
25 HA ARG 4 HA ARG 4 67.362 4.128 -11.652
26 1HB ARG 4 2HB ARG 4 68.660 5.474 -13.567
27 2HB ARG 4 1HB ARG 4 69.595 6.038 -12.183
28 1HG ARG 4 2HG ARG 4 69.293 3.276 -11.773
29 2HG ARG 4 1HG ARG 4 69.643 3.444 -13.496
30 1HD ARG 4 2HD ARG 4 71.326 5.203 -11.859
31 2HD ARG 4 1HD ARG 4 71.552 3.488 -11.465
32 HE ARG 4 HE ARG 4 72.092 4.760 -14.080
33 1HH1 ARG 4 1HH2 ARG 4 71.644 1.826 -12.255
34 2HH1 ARG 4 2HH2 ARG 4 72.539 0.859 -13.376
35 1HH2 ARG 4 1HH1 ARG 4 73.214 3.450 -15.550
36 2HH2 ARG 4 2HH1 ARG 4 73.415 1.763 -15.215
37 H CYS 5 H CYS 5 66.302 4.883 -9.577
38 HA CYS 5 HA CYS 5 68.355 5.981 -7.717
39 1HB CYS 5 2HB CYS 5 67.045 7.894 -8.381
40 2HB CYS 5 1HB CYS 5 65.538 7.002 -8.167
41 HA PRO 6 HA PRO 6 66.400 2.375 -5.828
42 1HB PRO 6 2HB PRO 6 68.577 1.627 -4.360
43 2HB PRO 6 1HB PRO 6 68.394 1.241 -6.082
44 1HG PRO 6 2HG PRO 6 70.093 3.299 -4.786
45 2HG PRO 6 1HG PRO 6 70.359 2.386 -6.279
46 1HD PRO 6 2HD PRO 6 69.455 5.029 -6.114
47 2HD PRO 6 1HD PRO 6 69.364 3.988 -7.548
48 H GLY 7 H GLY 7 68.292 4.883 -4.100
49 1HA GLY 7 2HA GLY 7 66.942 4.191 -1.574
50 2HA GLY 7 1HA GLY 7 68.212 5.394 -1.762
51 H CYS 8 H CYS 8 64.918 5.010 -3.196
52 HA CYS 8 HA CYS 8 64.010 7.437 -1.823
53 1HB CYS 8 2HB CYS 8 63.674 8.684 -3.971
54 2HB CYS 8 1HB CYS 8 65.372 8.401 -3.584
55 H GLY 9 H GLY 9 61.696 7.935 -2.406
56 1HA GLY 9 2HA GLY 9 59.496 7.288 -2.958
57 2HA GLY 9 1HA GLY 9 60.192 6.104 -4.068
58 H GLN 10 H GLN 10 59.988 6.617 -0.524
59 HA GLN 10 HA GLN 10 59.046 3.822 -0.223
60 1HB GLN 10 2HB GLN 10 60.790 3.630 1.656
61 2HB GLN 10 1HB GLN 10 61.416 3.606 0.007
62 1HG GLN 10 2HG GLN 10 61.996 5.983 0.156
63 2HG GLN 10 1HG GLN 10 61.264 6.086 1.756
64 1HE2 GLN 10 1HE2 GLN 10 63.581 3.770 0.233
65 2HE2 GLN 10 2HE2 GLN 10 64.701 3.861 1.503
66 H GLY 11 H GLY 11 57.864 6.613 0.197
67 1HA GLY 11 2HA GLY 11 56.944 6.114 2.981
68 2HA GLY 11 1HA GLY 11 57.528 7.727 2.568
69 H VAL 12 H VAL 12 55.285 5.287 1.204
70 HA VAL 12 HA VAL 12 53.442 7.550 0.510
71 HB VAL 12 HB VAL 12 52.606 5.953 -1.234
72 1HG1 VAL 12 1HG1 VAL 12 54.319 7.590 -1.831
73 2HG1 VAL 12 2HG1 VAL 12 54.655 6.067 -2.655
74 3HG1 VAL 12 3HG1 VAL 12 55.589 6.522 -1.231
75 1HG2 VAL 12 1HG2 VAL 12 53.489 3.933 0.178
76 2HG2 VAL 12 2HG2 VAL 12 55.022 4.251 -0.636
77 3HG2 VAL 12 3HG2 VAL 12 53.590 3.847 -1.581
78 H GLN 13 H GLN 13 53.750 5.182 2.841
79 HA GLN 13 HA GLN 13 51.314 3.806 2.987
80 1HB GLN 13 2HB GLN 13 53.478 3.910 4.507
81 2HB GLN 13 1HB GLN 13 52.525 5.071 5.432
82 1HG GLN 13 2HG GLN 13 50.785 3.464 5.825
83 2HG GLN 13 1HG GLN 13 51.489 2.325 4.676
84 1HE2 GLN 13 1HE2 GLN 13 50.980 1.823 7.549
85 2HE2 GLN 13 2HE2 GLN 13 52.492 1.489 8.244
86 H ALA 14 H ALA 14 52.005 7.105 4.184
87 HA ALA 14 HA ALA 14 49.061 7.528 4.518
88 1HB ALA 14 1HB ALA 14 50.470 7.733 6.537
89 2HB ALA 14 2HB ALA 14 49.780 9.295 6.100
90 3HB ALA 14 3HB ALA 14 51.467 8.945 5.727
91 H GLY 15 H GLY 15 50.737 7.787 1.976
92 1HA GLY 15 2HA GLY 15 50.039 10.637 1.396
93 2HA GLY 15 1HA GLY 15 51.533 9.914 0.795
94 H CYS 16 H CYS 16 48.015 9.269 0.801
95 HA CYS 16 HA CYS 16 48.303 7.855 -1.791
96 1HB CYS 16 2HB CYS 16 46.217 8.139 0.364
97 2HB CYS 16 1HB CYS 16 45.761 7.534 -1.226
98 HA PRO 17 HA PRO 17 46.803 11.364 -4.054
99 1HB PRO 17 2HB PRO 17 45.767 10.092 -6.244
100 2HB PRO 17 1HB PRO 17 47.510 10.283 -5.968
101 1HG PRO 17 2HG PRO 17 45.776 7.903 -5.532
102 2HG PRO 17 1HG PRO 17 47.443 7.994 -6.120
103 1HD PRO 17 2HD PRO 17 46.756 7.290 -3.563
104 2HD PRO 17 1HD PRO 17 48.320 8.007 -4.014
105 H GLY 18 H GLY 18 44.597 8.586 -3.738
106 1HA GLY 18 2HA GLY 18 42.437 10.245 -2.746
107 2HA GLY 18 1HA GLY 18 42.134 9.700 -4.397
108 H GLY 19 H GLY 19 43.413 8.246 -1.408
109 1HA GLY 19 2HA GLY 19 41.644 6.516 -0.483
110 2HA GLY 19 1HA GLY 19 41.944 5.743 -2.047
111 H CYS 20 H CYS 20 42.725 5.243 0.990
112 HA CYS 20 HA CYS 20 45.528 4.380 0.359
113 1HB CYS 20 2HB CYS 20 44.673 6.435 2.107
114 2HB CYS 20 1HB CYS 20 45.109 5.078 3.155
115 H VAL 21 H VAL 21 46.211 2.645 2.020
116 HA VAL 21 HA VAL 21 44.095 0.630 2.231
117 HB VAL 21 HB VAL 21 46.459 0.205 1.555
118 1HG1 VAL 21 1HG1 VAL 21 47.680 0.011 4.121
119 2HG1 VAL 21 2HG1 VAL 21 47.007 1.635 3.976
120 3HG1 VAL 21 3HG1 VAL 21 48.151 1.042 2.772
121 1HG2 VAL 21 1HG2 VAL 21 44.860 -1.472 2.811
122 2HG2 VAL 21 2HG2 VAL 21 46.043 -1.313 4.109
123 3HG2 VAL 21 3HG2 VAL 21 46.544 -1.909 2.525
124 H GLU 22 H GLU 22 43.233 2.696 3.830
125 HA GLU 22 HA GLU 22 43.844 1.851 6.611
126 1HB GLU 22 2HB GLU 22 43.362 4.385 5.227
127 2HB GLU 22 1HB GLU 22 42.331 4.206 6.646
128 1HG GLU 22 2HG GLU 22 44.538 3.445 7.840
129 2HG GLU 22 1HG GLU 22 45.338 4.255 6.493
130 H GLU 23 H GLU 23 42.250 0.082 5.258
131 HA GLU 23 HA GLU 23 40.133 -0.936 5.187
132 1HB GLU 23 2HB GLU 23 40.644 0.175 7.778
133 2HB GLU 23 1HB GLU 23 38.922 0.367 7.436
134 1HG GLU 23 2HG GLU 23 38.576 -1.926 7.214
135 2HG GLU 23 1HG GLU 23 40.260 -2.233 6.788
136 H GLU 24 H GLU 24 40.187 0.863 3.298
137 HA GLU 24 HA GLU 24 38.544 3.177 3.437
138 1HB GLU 24 2HB GLU 24 38.516 2.862 0.916
139 2HB GLU 24 1HB GLU 24 40.123 2.788 1.642
140 1HG GLU 24 2HG GLU 24 38.798 0.182 1.608
141 2HG GLU 24 1HG GLU 24 38.975 0.855 -0.008
142 H ASP 25 H ASP 25 37.469 -0.034 3.761
143 HA ASP 25 HA ASP 25 34.943 0.182 2.321
144 1HB ASP 25 2HB ASP 25 36.168 -1.692 4.360
145 2HB ASP 25 1HB ASP 25 34.514 -1.927 3.792
146 H GLY 26 H GLY 26 36.078 1.060 5.539
147 1HA GLY 26 2HA GLY 26 34.894 2.515 7.037
148 2HA GLY 26 1HA GLY 26 33.426 2.247 6.096
149 H GLY 27 H GLY 27 33.068 -0.453 6.102
150 1HA GLY 27 2HA GLY 27 33.587 -1.773 8.592
151 2HA GLY 27 1HA GLY 27 32.007 -0.993 8.669
152 H SER 28 H SER 28 30.670 -2.792 8.544
153 HA SER 28 HA SER 28 30.511 -4.116 5.921
154 1HB SER 28 2HB SER 28 32.061 -5.619 6.809
155 2HB SER 28 1HB SER 28 31.477 -5.418 8.454
156 HG SER 28 HG SER 28 30.462 -6.995 6.346
157 HA PRO 29 HA PRO 29 26.635 -5.420 8.385
158 1HB PRO 29 2HB PRO 29 26.466 -4.789 11.049
159 2HB PRO 29 1HB PRO 29 27.143 -6.318 10.452
160 1HG PRO 29 2HG PRO 29 28.548 -3.854 11.369
161 2HG PRO 29 1HG PRO 29 28.956 -5.555 11.651
162 1HD PRO 29 2HD PRO 29 30.220 -4.043 9.792
163 2HD PRO 29 1HD PRO 29 29.983 -5.793 9.611
164 H ALA 30 H ALA 30 28.134 -2.370 9.403
165 HA ALA 30 HA ALA 30 25.513 -0.995 9.347
166 1HB ALA 30 1HB ALA 30 27.123 -0.708 11.240
167 2HB ALA 30 2HB ALA 30 26.757 0.813 10.426
168 3HB ALA 30 3HB ALA 30 28.280 -0.015 10.102
169 H GLU 31 H GLU 31 26.098 -1.739 6.801
170 HA GLU 31 HA GLU 31 27.653 0.307 5.400
171 1HB GLU 31 2HB GLU 31 27.735 -1.961 4.588
172 2HB GLU 31 1HB GLU 31 25.976 -2.072 4.568
173 1HG GLU 31 2HG GLU 31 26.423 -1.672 2.318
174 2HG GLU 31 1HG GLU 31 26.147 -0.037 2.906
175 H GLY 32 H GLY 32 24.207 -0.599 5.716
176 1HA GLY 32 2HA GLY 32 22.405 1.045 5.725
177 2HA GLY 32 1HA GLY 32 23.486 2.175 4.909
178 H CYS 33 H CYS 33 22.446 -1.163 4.172
179 HA CYS 33 HA CYS 33 22.245 -0.545 1.318
180 1HB CYS 33 2HB CYS 33 22.674 -2.780 2.895
181 2HB CYS 33 1HB CYS 33 21.017 -3.015 2.339
182 H ALA 34 H ALA 34 20.450 0.498 0.499
183 HA ALA 34 HA ALA 34 17.954 0.663 2.018
184 1HB ALA 34 1HB ALA 34 18.937 2.491 0.635
185 2HB ALA 34 2HB ALA 34 17.292 2.096 0.134
186 3HB ALA 34 3HB ALA 34 18.663 1.518 -0.811
187 H GLU 35 H GLU 35 19.154 -1.235 -0.676
188 HA GLU 35 HA GLU 35 16.554 -2.213 -1.534
189 1HB GLU 35 2HB GLU 35 19.452 -2.847 -2.075
190 2HB GLU 35 1HB GLU 35 18.177 -3.880 -2.715
191 1HG GLU 35 2HG GLU 35 18.533 -2.325 -4.450
192 2HG GLU 35 1HG GLU 35 17.120 -1.685 -3.615
193 H ALA 36 H ALA 36 15.773 -4.383 -1.231
194 HA ALA 36 HA ALA 36 16.516 -5.565 1.386
195 1HB ALA 36 1HB ALA 36 14.322 -6.098 -0.639
196 2HB ALA 36 2HB ALA 36 14.173 -5.145 0.837
197 3HB ALA 36 3HB ALA 36 14.436 -6.887 0.933
198 H GLU 37 H GLU 37 16.342 -6.574 -2.057
199 HA GLU 37 HA GLU 37 17.291 -9.261 -1.486
200 1HB GLU 37 2HB GLU 37 15.848 -8.316 -3.440
201 2HB GLU 37 1HB GLU 37 17.400 -7.861 -4.155
202 1HG GLU 37 2HG GLU 37 18.131 -10.122 -4.287
203 2HG GLU 37 1HG GLU 37 16.869 -10.681 -3.185
204 H GLY 38 H GLY 38 18.838 -6.201 -2.284
205 1HA GLY 38 2HA GLY 38 21.337 -7.303 -3.195
206 2HA GLY 38 1HA GLY 38 21.089 -5.644 -2.662
207 H CYS 39 H CYS 39 20.142 -6.455 0.047
208 HA CYS 39 HA CYS 39 22.689 -7.616 1.144
209 1HB CYS 39 2HB CYS 39 21.226 -5.096 1.960
210 2HB CYS 39 1HB CYS 39 22.538 -5.813 2.891
211 H LEU 40 H LEU 40 19.212 -7.022 1.740
212 HA LEU 40 HA LEU 40 19.219 -8.279 4.342
213 1HB LEU 40 2HB LEU 40 17.432 -6.893 2.574
214 2HB LEU 40 1HB LEU 40 16.634 -8.347 3.172
215 HG LEU 40 HG LEU 40 18.087 -6.415 4.995
216 1HD1 LEU 40 1HD1 LEU 40 15.306 -6.356 3.880
217 2HD1 LEU 40 2HD1 LEU 40 16.384 -5.015 4.271
218 3HD1 LEU 40 3HD1 LEU 40 15.546 -5.879 5.560
219 1HD2 LEU 40 1HD2 LEU 40 17.725 -8.136 6.425
220 2HD2 LEU 40 2HD2 LEU 40 16.652 -8.954 5.288
221 3HD2 LEU 40 3HD2 LEU 40 16.022 -7.691 6.345
222 H ARG 41 H ARG 41 20.534 -10.220 3.219
223 HA ARG 41 HA ARG 41 18.558 -12.286 2.390
224 1HB ARG 41 2HB ARG 41 20.313 -11.535 0.718
225 2HB ARG 41 1HB ARG 41 21.536 -12.195 1.813
226 1HG ARG 41 2HG ARG 41 20.896 -13.795 0.006
227 2HG ARG 41 1HG ARG 41 20.579 -14.421 1.621
228 1HD ARG 41 2HD ARG 41 18.394 -14.695 1.109
229 2HD ARG 41 1HD ARG 41 18.243 -12.977 0.695
230 HE ARG 41 HE ARG 41 19.468 -13.807 -1.529
231 1HH1 ARG 41 1HH2 ARG 41 16.959 -15.407 0.304
232 2HH1 ARG 41 2HH2 ARG 41 16.370 -16.280 -1.069
233 1HH2 ARG 41 1HH1 ARG 41 18.666 -14.952 -3.297
234 2HH2 ARG 41 2HH1 ARG 41 17.313 -16.014 -3.098
235 H ARG 42 H ARG 42 18.370 -12.330 4.908
236 HA ARG 42 HA ARG 42 20.143 -14.473 5.899
237 1HB ARG 42 2HB ARG 42 19.696 -11.727 7.032
238 2HB ARG 42 1HB ARG 42 20.055 -13.066 8.124
239 1HG ARG 42 2HG ARG 42 22.073 -13.586 6.700
240 2HG ARG 42 1HG ARG 42 21.756 -12.099 5.806
241 1HD ARG 42 2HD ARG 42 22.609 -10.795 7.463
242 2HD ARG 42 1HD ARG 42 21.779 -11.716 8.734
243 HE ARG 42 HE ARG 42 23.690 -13.496 7.860
244 1HH1 ARG 42 1HH2 ARG 42 23.774 -10.161 8.877
245 2HH1 ARG 42 2HH2 ARG 42 25.404 -10.255 9.456
246 1HH2 ARG 42 1HH1 ARG 42 25.803 -13.614 8.645
247 2HH2 ARG 42 2HH1 ARG 42 26.555 -12.209 9.320
248 H GLU 43 H GLU 43 17.500 -14.697 4.938
249 HA GLU 43 HA GLU 43 15.503 -14.548 7.001
250 1HB GLU 43 2HB GLU 43 14.239 -16.000 5.347
251 2HB GLU 43 1HB GLU 43 14.927 -14.533 4.642
252 1HG GLU 43 2HG GLU 43 16.784 -16.817 4.573
253 2HG GLU 43 1HG GLU 43 15.301 -17.094 3.658
254 H GLY 44 H GLY 44 14.714 -16.177 8.367
255 1HA GLY 44 2HA GLY 44 16.624 -18.261 9.109
256 2HA GLY 44 1HA GLY 44 15.059 -17.973 9.868
257 H GLN 45 HN GLN 45 16.193 -18.980 6.607
258 HA GLN 45 HA GLN 45 14.166 -21.187 6.723
259 1HB GLN 45 2HB GLN 45 15.115 -19.430 4.438
260 2HB GLN 45 1HB GLN 45 14.070 -20.836 4.217
261 1HG GLN 45 2HG GLN 45 12.662 -19.607 6.142
262 2HG GLN 45 1HG GLN 45 13.449 -18.186 5.441
263 1HE2 GLN 45 1HE2 GLN 45 12.981 -17.663 3.199
264 2HE2 GLN 45 2HE2 GLN 45 11.642 -18.327 2.397
Start of MODEL 9
1 1H ALA 1 1HT ALA 1 39.672 21.759 -34.231
2 2H ALA 1 2HT ALA 1 38.923 21.601 -32.716
3 3H ALA 1 3HT ALA 1 39.587 20.239 -33.486
4 HA ALA 1 HA ALA 1 41.391 22.484 -32.940
5 1HB ALA 1 1HB ALA 1 40.132 20.624 -30.907
6 2HB ALA 1 2HB ALA 1 40.169 22.389 -30.884
7 3HB ALA 1 3HB ALA 1 41.650 21.472 -30.606
8 H LEU 2 H LEU 2 43.530 21.383 -32.187
9 HA LEU 2 HA LEU 2 43.817 18.569 -33.034
10 1HB LEU 2 2HB LEU 2 44.350 20.852 -34.691
11 2HB LEU 2 1HB LEU 2 45.877 20.048 -34.334
12 HG LEU 2 HG LEU 2 44.104 17.947 -34.868
13 1HD1 LEU 2 1HD1 LEU 2 42.435 19.367 -35.830
14 2HD1 LEU 2 2HD1 LEU 2 43.297 18.636 -37.184
15 3HD1 LEU 2 3HD1 LEU 2 43.643 20.301 -36.714
16 1HD2 LEU 2 1HD2 LEU 2 45.494 17.623 -36.843
17 2HD2 LEU 2 2HD2 LEU 2 46.511 18.188 -35.518
18 3HD2 LEU 2 3HD2 LEU 2 46.019 19.306 -36.791
19 H ALA 3 H ALA 3 44.153 19.241 -30.453
20 HA ALA 3 HA ALA 3 47.022 19.840 -30.017
21 1HB ALA 3 1HB ALA 3 45.224 21.169 -28.873
22 2HB ALA 3 2HB ALA 3 46.308 20.363 -27.740
23 3HB ALA 3 3HB ALA 3 44.706 19.693 -28.057
24 H ARG 4 H ARG 4 47.966 17.782 -30.419
25 HA ARG 4 HA ARG 4 46.964 15.263 -29.600
26 1HB ARG 4 2HB ARG 4 49.455 14.645 -29.732
27 2HB ARG 4 1HB ARG 4 48.759 15.381 -31.173
28 1HG ARG 4 2HG ARG 4 49.873 17.411 -30.835
29 2HG ARG 4 1HG ARG 4 50.035 17.151 -29.099
30 1HD ARG 4 2HD ARG 4 52.228 16.756 -29.859
31 2HD ARG 4 1HD ARG 4 51.554 15.116 -29.837
32 HE ARG 4 HE ARG 4 51.519 15.127 -32.206
33 1HH1 ARG 4 1HH2 ARG 4 52.022 18.322 -30.936
34 2HH1 ARG 4 2HH2 ARG 4 52.488 18.985 -32.458
35 1HH2 ARG 4 1HH1 ARG 4 52.068 16.019 -34.190
36 2HH2 ARG 4 2HH1 ARG 4 52.472 17.695 -34.304
37 H CYS 5 H CYS 5 46.301 14.962 -27.489
38 HA CYS 5 HA CYS 5 48.294 15.558 -25.327
39 1HB CYS 5 2HB CYS 5 46.369 16.150 -23.929
40 2HB CYS 5 1HB CYS 5 46.331 17.097 -25.412
41 HA PRO 6 HA PRO 6 47.804 11.247 -24.454
42 1HB PRO 6 2HB PRO 6 49.100 11.184 -22.047
43 2HB PRO 6 1HB PRO 6 49.950 11.343 -23.597
44 1HG PRO 6 2HG PRO 6 49.342 13.387 -21.549
45 2HG PRO 6 1HG PRO 6 50.729 13.257 -22.641
46 1HD PRO 6 2HD PRO 6 48.565 14.968 -22.974
47 2HD PRO 6 1HD PRO 6 49.711 14.492 -24.249
48 H GLY 7 H GLY 7 45.728 10.620 -23.923
49 1HA GLY 7 2HA GLY 7 43.739 10.362 -22.697
50 2HA GLY 7 1HA GLY 7 44.837 10.137 -21.338
51 H CYS 8 H CYS 8 43.830 12.979 -23.301
52 HA CYS 8 HA CYS 8 43.349 14.398 -20.703
53 1HB CYS 8 2HB CYS 8 44.283 16.274 -21.678
54 2HB CYS 8 1HB CYS 8 45.117 15.043 -22.619
55 H GLY 9 H GLY 9 41.741 16.466 -21.474
56 1HA GLY 9 2HA GLY 9 39.669 17.036 -22.593
57 2HA GLY 9 1HA GLY 9 39.507 15.350 -23.084
58 H GLN 10 H GLN 10 40.256 16.459 -19.811
59 HA GLN 10 HA GLN 10 39.269 15.621 -17.800
60 1HB GLN 10 2HB GLN 10 37.085 16.993 -17.577
61 2HB GLN 10 1HB GLN 10 38.579 17.867 -17.895
62 1HG GLN 10 2HG GLN 10 37.146 17.004 -20.337
63 2HG GLN 10 1HG GLN 10 36.263 18.167 -19.352
64 1HE2 GLN 10 1HE2 GLN 10 37.296 20.302 -18.969
65 2HE2 GLN 10 2HE2 GLN 10 38.553 20.848 -19.969
66 H GLY 11 H GLY 11 39.004 13.407 -19.306
67 1HA GLY 11 2HA GLY 11 36.194 12.555 -18.756
68 2HA GLY 11 1HA GLY 11 36.938 12.160 -20.308
69 H VAL 12 H VAL 12 38.127 12.047 -16.927
70 HA VAL 12 HA VAL 12 39.129 9.277 -17.480
71 HB VAL 12 HB VAL 12 40.667 11.234 -16.854
72 1HG1 VAL 12 1HG1 VAL 12 40.659 12.116 -14.681
73 2HG1 VAL 12 2HG1 VAL 12 39.734 10.761 -14.032
74 3HG1 VAL 12 3HG1 VAL 12 38.937 11.973 -15.033
75 1HG2 VAL 12 1HG2 VAL 12 41.416 8.923 -16.643
76 2HG2 VAL 12 2HG2 VAL 12 40.599 8.768 -15.089
77 3HG2 VAL 12 3HG2 VAL 12 41.984 9.846 -15.253
78 H GLN 13 H GLN 13 36.552 10.791 -15.941
79 HA GLN 13 HA GLN 13 36.446 9.255 -13.497
80 1HB GLN 13 2HB GLN 13 34.446 10.874 -15.042
81 2HB GLN 13 1HB GLN 13 34.122 10.214 -13.447
82 1HG GLN 13 2HG GLN 13 36.535 11.450 -13.048
83 2HG GLN 13 1HG GLN 13 35.776 12.524 -14.231
84 1HE2 GLN 13 1HE2 GLN 13 35.954 11.861 -10.920
85 2HE2 GLN 13 2HE2 GLN 13 34.539 12.658 -10.423
86 H ALA 14 H ALA 14 36.800 7.087 -14.528
87 HA ALA 14 HA ALA 14 34.273 5.975 -15.722
88 1HB ALA 14 1HB ALA 14 37.032 4.791 -16.029
89 2HB ALA 14 2HB ALA 14 36.530 6.150 -17.036
90 3HB ALA 14 3HB ALA 14 35.635 4.632 -17.095
91 H GLY 15 H GLY 15 34.220 3.458 -15.294
92 1HA GLY 15 2HA GLY 15 35.344 2.758 -12.627
93 2HA GLY 15 1HA GLY 15 33.593 2.676 -12.830
94 H CYS 16 H CYS 16 32.704 0.978 -14.076
95 HA CYS 16 HA CYS 16 34.516 -1.321 -14.506
96 1HB CYS 16 2HB CYS 16 31.542 -1.170 -15.036
97 2HB CYS 16 1HB CYS 16 32.497 -2.573 -14.557
98 HA PRO 17 HA PRO 17 34.761 -0.656 -18.858
99 1HB PRO 17 2HB PRO 17 35.292 -3.208 -19.704
100 2HB PRO 17 1HB PRO 17 36.494 -2.200 -18.874
101 1HG PRO 17 2HG PRO 17 34.831 -4.424 -17.825
102 2HG PRO 17 1HG PRO 17 36.491 -3.961 -17.415
103 1HD PRO 17 2HD PRO 17 34.288 -3.398 -15.855
104 2HD PRO 17 1HD PRO 17 35.814 -2.487 -15.808
105 H GLY 18 H GLY 18 32.147 -0.503 -18.300
106 1HA GLY 18 2HA GLY 18 30.049 -0.784 -19.318
107 2HA GLY 18 1HA GLY 18 30.847 -1.726 -20.575
108 H GLY 19 H GLY 19 31.525 -2.946 -17.449
109 1HA GLY 19 2HA GLY 19 29.178 -4.756 -17.440
110 2HA GLY 19 1HA GLY 19 30.772 -5.491 -17.646
111 H CYS 20 H CYS 20 28.522 -4.571 -15.340
112 HA CYS 20 HA CYS 20 30.474 -5.037 -13.163
113 1HB CYS 20 2HB CYS 20 29.861 -2.471 -14.026
114 2HB CYS 20 1HB CYS 20 28.788 -2.709 -12.643
115 H VAL 21 H VAL 21 29.460 -5.946 -11.348
116 HA VAL 21 HA VAL 21 26.500 -5.866 -11.140
117 HB VAL 21 HB VAL 21 27.157 -7.719 -12.713
118 1HG1 VAL 21 1HG1 VAL 21 29.009 -8.294 -10.524
119 2HG1 VAL 21 2HG1 VAL 21 29.060 -8.808 -12.210
120 3HG1 VAL 21 3HG1 VAL 21 28.100 -9.714 -11.042
121 1HG2 VAL 21 1HG2 VAL 21 25.913 -9.542 -11.484
122 2HG2 VAL 21 2HG2 VAL 21 25.087 -7.984 -11.503
123 3HG2 VAL 21 3HG2 VAL 21 25.940 -8.512 -10.052
124 H GLU 22 H GLU 22 28.405 -4.714 -9.412
125 HA GLU 22 HA GLU 22 28.421 -6.518 -7.047
126 1HB GLU 22 2HB GLU 22 30.231 -4.431 -8.159
127 2HB GLU 22 1HB GLU 22 30.138 -4.544 -6.405
128 1HG GLU 22 2HG GLU 22 30.326 -7.197 -7.179
129 2HG GLU 22 1HG GLU 22 31.385 -6.379 -8.326
130 H GLU 23 H GLU 23 26.983 -3.661 -8.345
131 HA GLU 23 HA GLU 23 25.512 -2.069 -7.441
132 1HB GLU 23 2HB GLU 23 25.034 -4.579 -6.294
133 2HB GLU 23 1HB GLU 23 25.069 -3.475 -4.918
134 1HG GLU 23 2HG GLU 23 22.790 -3.537 -5.726
135 2HG GLU 23 1HG GLU 23 23.471 -1.976 -6.184
136 H GLU 24 H GLU 24 27.277 -0.525 -7.124
137 HA GLU 24 HA GLU 24 28.733 -0.432 -4.609
138 1HB GLU 24 2HB GLU 24 28.392 1.629 -6.805
139 2HB GLU 24 1HB GLU 24 29.666 1.609 -5.587
140 1HG GLU 24 2HG GLU 24 30.683 -0.323 -6.510
141 2HG GLU 24 1HG GLU 24 29.256 -0.727 -7.460
142 H ASP 25 H ASP 25 26.038 -0.439 -3.875
143 HA ASP 25 HA ASP 25 25.467 2.421 -3.175
144 1HB ASP 25 2HB ASP 25 23.919 0.709 -4.579
145 2HB ASP 25 1HB ASP 25 23.390 0.295 -2.951
146 H GLY 26 H GLY 26 27.193 1.800 -1.418
147 1HA GLY 26 2HA GLY 26 26.157 1.782 1.126
148 2HA GLY 26 1HA GLY 26 26.249 0.063 0.745
149 H GLY 27 H GLY 27 28.342 -0.883 0.380
150 1HA GLY 27 2HA GLY 27 30.821 -0.406 0.132
151 2HA GLY 27 1HA GLY 27 30.604 0.794 1.403
152 H SER 28 H SER 28 29.252 -0.362 3.350
153 HA SER 28 HA SER 28 30.705 -2.920 3.962
154 1HB SER 28 2HB SER 28 30.045 -0.565 5.759
155 2HB SER 28 1HB SER 28 30.839 -2.048 6.284
156 HG SER 28 HG SER 28 32.489 -1.565 4.720
157 HA PRO 29 HA PRO 29 26.789 -4.645 4.975
158 1HB PRO 29 2HB PRO 29 27.371 -6.170 7.192
159 2HB PRO 29 1HB PRO 29 27.842 -6.633 5.544
160 1HG PRO 29 2HG PRO 29 29.463 -5.322 7.678
161 2HG PRO 29 1HG PRO 29 29.917 -6.611 6.550
162 1HD PRO 29 2HD PRO 29 30.677 -4.054 6.149
163 2HD PRO 29 1HD PRO 29 30.291 -5.151 4.804
164 H ALA 30 H ALA 30 28.527 -2.964 7.548
165 HA ALA 30 HA ALA 30 26.028 -2.552 9.073
166 1HB ALA 30 1HB ALA 30 27.481 -1.882 10.820
167 2HB ALA 30 2HB ALA 30 28.784 -1.491 9.695
168 3HB ALA 30 3HB ALA 30 28.357 -3.176 10.005
169 H GLU 31 H GLU 31 26.997 -1.198 6.353
170 HA GLU 31 HA GLU 31 27.237 1.614 7.037
171 1HB GLU 31 2HB GLU 31 28.325 0.522 5.102
172 2HB GLU 31 1HB GLU 31 26.747 0.163 4.408
173 1HG GLU 31 2HG GLU 31 27.538 2.153 3.315
174 2HG GLU 31 1HG GLU 31 26.302 2.680 4.458
175 H GLY 32 H GLY 32 24.743 -0.337 5.411
176 1HA GLY 32 2HA GLY 32 22.380 0.171 6.336
177 2HA GLY 32 1HA GLY 32 22.773 1.840 5.923
178 H CYS 33 H CYS 33 22.093 -1.343 4.587
179 HA CYS 33 HA CYS 33 22.342 -0.529 1.784
180 1HB CYS 33 2HB CYS 33 20.835 -2.906 2.936
181 2HB CYS 33 1HB CYS 33 21.573 -2.767 1.343
182 H ALA 34 H ALA 34 20.795 0.596 0.666
183 HA ALA 34 HA ALA 34 18.186 1.174 1.872
184 1HB ALA 34 1HB ALA 34 19.274 1.742 -0.910
185 2HB ALA 34 2HB ALA 34 19.594 2.762 0.497
186 3HB ALA 34 3HB ALA 34 17.946 2.582 -0.111
187 H GLU 35 H GLU 35 19.474 -1.261 -0.244
188 HA GLU 35 HA GLU 35 16.751 -1.957 -1.256
189 1HB GLU 35 2HB GLU 35 19.393 -1.936 -2.335
190 2HB GLU 35 1HB GLU 35 18.889 -3.622 -2.251
191 1HG GLU 35 2HG GLU 35 17.068 -1.498 -3.386
192 2HG GLU 35 1HG GLU 35 18.274 -2.295 -4.392
193 H ALA 36 H ALA 36 16.257 -4.355 -1.232
194 HA ALA 36 HA ALA 36 17.107 -5.589 1.363
195 1HB ALA 36 1HB ALA 36 14.778 -6.092 -0.530
196 2HB ALA 36 2HB ALA 36 14.711 -5.175 0.976
197 3HB ALA 36 3HB ALA 36 15.016 -6.911 1.015
198 H GLU 37 H GLU 37 17.142 -6.122 -2.144
199 HA GLU 37 HA GLU 37 17.868 -8.938 -1.946
200 1HB GLU 37 2HB GLU 37 17.149 -6.968 -3.931
201 2HB GLU 37 1HB GLU 37 18.589 -7.838 -4.465
202 1HG GLU 37 2HG GLU 37 17.477 -9.958 -4.300
203 2HG GLU 37 1HG GLU 37 16.124 -9.260 -3.414
204 H GLY 38 H GLY 38 19.632 -5.885 -2.248
205 1HA GLY 38 2HA GLY 38 22.183 -7.150 -2.842
206 2HA GLY 38 1HA GLY 38 21.954 -5.461 -2.382
207 H CYS 39 H CYS 39 20.596 -6.024 0.141
208 HA CYS 39 HA CYS 39 22.988 -6.809 1.726
209 1HB CYS 39 2HB CYS 39 21.168 -4.756 1.861
210 2HB CYS 39 1HB CYS 39 20.554 -5.862 3.086
211 H LEU 40 H LEU 40 19.677 -7.913 1.065
212 HA LEU 40 HA LEU 40 18.548 -9.878 1.695
213 1HB LEU 40 2HB LEU 40 21.396 -10.413 1.533
214 2HB LEU 40 1HB LEU 40 20.668 -11.418 2.788
215 HG LEU 40 HG LEU 40 19.396 -11.163 0.059
216 1HD1 LEU 40 1HD1 LEU 40 20.651 -13.007 -0.747
217 2HD1 LEU 40 2HD1 LEU 40 21.272 -13.390 0.858
218 3HD1 LEU 40 3HD1 LEU 40 21.855 -11.960 0.008
219 1HD2 LEU 40 1HD2 LEU 40 18.556 -13.451 0.738
220 2HD2 LEU 40 2HD2 LEU 40 17.985 -12.138 1.768
221 3HD2 LEU 40 3HD2 LEU 40 19.295 -13.186 2.317
222 H ARG 41 H ARG 41 18.722 -11.565 3.828
223 HA ARG 41 HA ARG 41 18.774 -9.799 6.222
224 1HB ARG 41 2HB ARG 41 16.592 -10.967 4.961
225 2HB ARG 41 1HB ARG 41 16.935 -12.076 6.292
226 1HG ARG 41 2HG ARG 41 17.115 -9.857 7.709
227 2HG ARG 41 1HG ARG 41 16.159 -9.171 6.399
228 1HD ARG 41 2HD ARG 41 14.632 -11.280 6.765
229 2HD ARG 41 1HD ARG 41 15.399 -11.329 8.360
230 HE ARG 41 HE ARG 41 13.665 -9.144 7.333
231 1HH1 ARG 41 1HH2 ARG 41 15.913 -10.267 9.754
232 2HH1 ARG 41 2HH2 ARG 41 15.329 -9.180 10.950
233 1HH2 ARG 41 1HH1 ARG 41 12.941 -7.718 8.912
234 2HH2 ARG 41 2HH1 ARG 41 13.685 -7.711 10.465
235 H ARG 42 H ARG 42 20.992 -10.661 6.569
236 HA ARG 42 HA ARG 42 21.170 -13.534 7.247
237 1HB ARG 42 2HB ARG 42 22.830 -11.617 5.990
238 2HB ARG 42 1HB ARG 42 23.630 -12.053 7.501
239 1HG ARG 42 2HG ARG 42 22.494 -14.292 5.893
240 2HG ARG 42 1HG ARG 42 23.925 -13.497 5.236
241 1HD ARG 42 2HD ARG 42 23.755 -14.534 8.092
242 2HD ARG 42 1HD ARG 42 24.479 -15.440 6.748
243 HE ARG 42 HE ARG 42 25.613 -12.821 6.714
244 1HH1 ARG 42 1HH2 ARG 42 25.496 -15.612 8.770
245 2HH1 ARG 42 2HH2 ARG 42 27.073 -15.358 9.411
246 1HH2 ARG 42 1HH1 ARG 42 27.682 -12.492 7.556
247 2HH2 ARG 42 2HH1 ARG 42 28.316 -13.603 8.715
248 H GLU 43 H GLU 43 21.643 -10.322 8.670
249 HA GLU 43 HA GLU 43 21.826 -9.624 10.908
250 1HB GLU 43 2HB GLU 43 19.987 -11.918 10.753
251 2HB GLU 43 1HB GLU 43 20.681 -11.681 12.345
252 1HG GLU 43 2HG GLU 43 19.259 -9.997 12.701
253 2HG GLU 43 1HG GLU 43 19.988 -9.116 11.361
254 H GLY 44 H GLY 44 22.371 -10.923 13.259
255 1HA GLY 44 2HA GLY 44 24.268 -13.011 13.218
256 2HA GLY 44 1HA GLY 44 25.164 -11.488 13.064
257 H GLN 45 HN GLN 45 24.101 -9.734 14.719
258 HA GLN 45 HA GLN 45 23.523 -11.023 17.355
259 1HB GLN 45 2HB GLN 45 25.400 -9.718 18.389
260 2HB GLN 45 1HB GLN 45 25.972 -10.883 17.196
261 1HG GLN 45 2HG GLN 45 26.619 -9.246 15.700
262 2HG GLN 45 1HG GLN 45 25.330 -8.146 16.198
263 1HE2 GLN 45 1HE2 GLN 45 25.656 -6.913 18.209
264 2HE2 GLN 45 2HE2 GLN 45 27.225 -6.658 18.805
Start of MODEL 10
1 1H ALA 1 1HT ALA 1 36.956 -3.363 -24.115
2 2H ALA 1 2HT ALA 1 36.861 -4.759 -25.078
3 3H ALA 1 3HT ALA 1 35.504 -3.757 -24.894
4 HA ALA 1 HA ALA 1 36.326 -2.115 -26.291
5 1HB ALA 1 1HB ALA 1 38.768 -1.972 -26.728
6 2HB ALA 1 2HB ALA 1 39.020 -3.419 -25.753
7 3HB ALA 1 3HB ALA 1 38.427 -1.938 -24.998
8 H LEU 2 H LEU 2 35.750 -2.570 -28.391
9 HA LEU 2 HA LEU 2 37.090 -4.656 -29.931
10 1HB LEU 2 2HB LEU 2 35.162 -5.603 -28.367
11 2HB LEU 2 1HB LEU 2 34.123 -4.998 -29.658
12 HG LEU 2 HG LEU 2 36.262 -6.343 -30.933
13 1HD1 LEU 2 1HD1 LEU 2 36.606 -7.388 -28.645
14 2HD1 LEU 2 2HD1 LEU 2 36.268 -8.533 -29.944
15 3HD1 LEU 2 3HD1 LEU 2 34.994 -8.089 -28.808
16 1HD2 LEU 2 1HD2 LEU 2 33.857 -6.133 -31.633
17 2HD2 LEU 2 2HD2 LEU 2 33.441 -7.326 -30.402
18 3HD2 LEU 2 3HD2 LEU 2 34.483 -7.779 -31.751
19 H ALA 3 H ALA 3 36.469 -1.715 -30.118
20 HA ALA 3 HA ALA 3 35.739 -0.137 -31.711
21 1HB ALA 3 1HB ALA 3 37.402 -1.684 -32.871
22 2HB ALA 3 2HB ALA 3 36.302 -0.825 -33.947
23 3HB ALA 3 3HB ALA 3 36.013 -2.522 -33.563
24 H ARG 4 H ARG 4 34.243 -0.709 -34.142
25 HA ARG 4 HA ARG 4 32.008 -0.787 -34.857
26 1HB ARG 4 2HB ARG 4 31.945 -3.037 -32.813
27 2HB ARG 4 1HB ARG 4 30.889 -2.866 -34.214
28 1HG ARG 4 2HG ARG 4 33.826 -2.859 -34.733
29 2HG ARG 4 1HG ARG 4 33.101 -4.393 -34.261
30 1HD ARG 4 2HD ARG 4 32.150 -4.654 -36.311
31 2HD ARG 4 1HD ARG 4 31.462 -3.020 -36.263
32 HE ARG 4 HE ARG 4 33.395 -2.203 -37.384
33 1HH1 ARG 4 1HH2 ARG 4 33.823 -5.501 -36.314
34 2HH1 ARG 4 2HH2 ARG 4 35.269 -5.731 -37.221
35 1HH2 ARG 4 1HH1 ARG 4 35.292 -2.527 -38.542
36 2HH2 ARG 4 2HH1 ARG 4 36.106 -4.052 -38.472
37 H CYS 5 H CYS 5 29.814 -1.736 -33.015
38 HA CYS 5 HA CYS 5 29.695 0.600 -31.136
39 1HB CYS 5 2HB CYS 5 27.238 0.694 -31.866
40 2HB CYS 5 1HB CYS 5 28.416 1.206 -33.072
41 HA PRO 6 HA PRO 6 28.548 -2.693 -28.391
42 1HB PRO 6 2HB PRO 6 27.988 -1.145 -26.203
43 2HB PRO 6 1HB PRO 6 29.640 -1.521 -26.729
44 1HG PRO 6 2HG PRO 6 28.064 0.967 -27.073
45 2HG PRO 6 1HG PRO 6 29.803 0.753 -26.826
46 1HD PRO 6 2HD PRO 6 28.609 1.296 -29.255
47 2HD PRO 6 1HD PRO 6 30.217 0.563 -29.050
48 H GLY 7 H GLY 7 26.474 0.246 -28.166
49 1HA GLY 7 2HA GLY 7 24.122 -1.434 -27.611
50 2HA GLY 7 1HA GLY 7 24.148 0.327 -27.668
51 H CYS 8 H CYS 8 24.792 -2.353 -29.978
52 HA CYS 8 HA CYS 8 23.307 -0.760 -32.050
53 1HB CYS 8 2HB CYS 8 25.663 -2.487 -31.953
54 2HB CYS 8 1HB CYS 8 24.564 -2.936 -33.257
55 H GLY 9 H GLY 9 22.281 -2.751 -29.841
56 1HA GLY 9 2HA GLY 9 20.075 -3.811 -30.086
57 2HA GLY 9 1HA GLY 9 20.536 -4.288 -31.719
58 H GLN 10 H GLN 10 22.017 -4.678 -28.475
59 HA GLN 10 HA GLN 10 21.800 -7.580 -28.627
60 1HB GLN 10 2HB GLN 10 24.373 -7.779 -28.535
61 2HB GLN 10 1HB GLN 10 23.660 -7.377 -30.093
62 1HG GLN 10 2HG GLN 10 24.329 -5.121 -29.956
63 2HG GLN 10 1HG GLN 10 24.538 -5.196 -28.208
64 1HE2 GLN 10 1HE2 GLN 10 26.786 -4.444 -28.401
65 2HE2 GLN 10 2HE2 GLN 10 27.999 -5.481 -28.980
66 H GLY 11 H GLY 11 20.819 -5.869 -26.676
67 1HA GLY 11 2HA GLY 11 22.765 -5.874 -24.438
68 2HA GLY 11 1HA GLY 11 21.189 -5.080 -24.429
69 H VAL 12 H VAL 12 22.530 -8.391 -24.721
70 HA VAL 12 HA VAL 12 20.255 -9.340 -23.001
71 HB VAL 12 HB VAL 12 21.753 -10.816 -25.193
72 1HG1 VAL 12 1HG1 VAL 12 20.757 -12.323 -23.576
73 2HG1 VAL 12 2HG1 VAL 12 19.776 -12.349 -25.043
74 3HG1 VAL 12 3HG1 VAL 12 19.232 -11.442 -23.631
75 1HG2 VAL 12 1HG2 VAL 12 20.568 -9.300 -26.477
76 2HG2 VAL 12 2HG2 VAL 12 19.347 -9.039 -25.231
77 3HG2 VAL 12 3HG2 VAL 12 19.296 -10.494 -26.228
78 H GLN 13 H GLN 13 23.723 -9.303 -23.460
79 HA GLN 13 HA GLN 13 24.266 -11.564 -21.704
80 1HB GLN 13 2HB GLN 13 25.594 -10.359 -23.719
81 2HB GLN 13 1HB GLN 13 26.314 -9.497 -22.360
82 1HG GLN 13 2HG GLN 13 27.675 -11.260 -22.032
83 2HG GLN 13 1HG GLN 13 26.259 -12.212 -21.588
84 1HE2 GLN 13 1HE2 GLN 13 27.882 -11.055 -24.614
85 2HE2 GLN 13 2HE2 GLN 13 27.627 -12.501 -25.463
86 H ALA 14 H ALA 14 26.538 -10.014 -20.416
87 HA ALA 14 HA ALA 14 26.958 -8.906 -18.386
88 1HB ALA 14 1HB ALA 14 25.750 -7.174 -19.919
89 2HB ALA 14 2HB ALA 14 25.872 -6.821 -18.198
90 3HB ALA 14 3HB ALA 14 24.360 -7.440 -18.862
91 H GLY 15 H GLY 15 24.958 -7.950 -16.494
92 1HA GLY 15 2HA GLY 15 24.110 -10.572 -15.426
93 2HA GLY 15 1HA GLY 15 24.109 -9.044 -14.542
94 H CYS 16 H CYS 16 22.650 -9.770 -17.727
95 HA CYS 16 HA CYS 16 20.001 -8.985 -16.559
96 1HB CYS 16 2HB CYS 16 21.161 -8.587 -19.342
97 2HB CYS 16 1HB CYS 16 19.568 -8.039 -18.813
98 HA PRO 17 HA PRO 17 19.799 -13.288 -18.415
99 1HB PRO 17 2HB PRO 17 18.796 -14.555 -16.196
100 2HB PRO 17 1HB PRO 17 20.535 -14.374 -16.503
101 1HG PRO 17 2HG PRO 17 18.759 -12.818 -14.693
102 2HG PRO 17 1HG PRO 17 20.433 -13.344 -14.456
103 1HD PRO 17 2HD PRO 17 19.724 -10.801 -15.156
104 2HD PRO 17 1HD PRO 17 21.291 -11.539 -15.561
105 H GLY 18 H GLY 18 18.050 -11.676 -19.384
106 1HA GLY 18 2HA GLY 18 15.746 -12.111 -20.143
107 2HA GLY 18 1HA GLY 18 15.361 -12.668 -18.512
108 H GLY 19 H GLY 19 17.109 -10.161 -17.646
109 1HA GLY 19 2HA GLY 19 15.290 -7.975 -18.366
110 2HA GLY 19 1HA GLY 19 15.237 -8.465 -16.668
111 H CYS 20 H CYS 20 16.578 -6.228 -18.599
112 HA CYS 20 HA CYS 20 19.210 -6.161 -17.167
113 1HB CYS 20 2HB CYS 20 18.589 -6.018 -19.822
114 2HB CYS 20 1HB CYS 20 18.601 -4.305 -19.407
115 H VAL 21 H VAL 21 16.970 -5.369 -15.634
116 HA VAL 21 HA VAL 21 17.417 -2.410 -15.447
117 HB VAL 21 HB VAL 21 15.311 -3.092 -16.682
118 1HG1 VAL 21 1HG1 VAL 21 15.056 -4.877 -14.531
119 2HG1 VAL 21 2HG1 VAL 21 13.853 -4.556 -15.780
120 3HG1 VAL 21 3HG1 VAL 21 13.806 -3.664 -14.260
121 1HG2 VAL 21 1HG2 VAL 21 13.985 -1.387 -15.680
122 2HG2 VAL 21 2HG2 VAL 21 15.656 -0.918 -15.368
123 3HG2 VAL 21 3HG2 VAL 21 14.695 -1.659 -14.088
124 H GLU 22 H GLU 22 18.225 -4.950 -13.856
125 HA GLU 22 HA GLU 22 17.038 -4.269 -11.231
126 1HB GLU 22 2HB GLU 22 17.614 -6.651 -12.537
127 2HB GLU 22 1HB GLU 22 18.927 -6.492 -11.375
128 1HG GLU 22 2HG GLU 22 17.246 -7.610 -10.159
129 2HG GLU 22 1HG GLU 22 17.129 -5.931 -9.634
130 H GLU 23 H GLU 23 19.845 -3.719 -13.115
131 HA GLU 23 HA GLU 23 21.249 -2.576 -10.782
132 1HB GLU 23 2HB GLU 23 23.239 -3.842 -12.371
133 2HB GLU 23 1HB GLU 23 22.742 -4.284 -10.744
134 1HG GLU 23 2HG GLU 23 22.442 -6.277 -11.967
135 2HG GLU 23 1HG GLU 23 20.822 -5.600 -11.893
136 H GLU 24 H GLU 24 20.365 -0.645 -12.062
137 HA GLU 24 HA GLU 24 21.133 0.015 -14.702
138 1HB GLU 24 2HB GLU 24 20.807 1.810 -12.279
139 2HB GLU 24 1HB GLU 24 20.715 2.335 -13.959
140 1HG GLU 24 2HG GLU 24 18.530 1.780 -14.015
141 2HG GLU 24 1HG GLU 24 18.947 0.106 -13.650
142 H ASP 25 H ASP 25 22.772 1.145 -11.707
143 HA ASP 25 HA ASP 25 25.387 0.920 -13.104
144 1HB ASP 25 2HB ASP 25 23.868 3.373 -12.688
145 2HB ASP 25 1HB ASP 25 25.421 3.453 -11.864
146 H GLY 26 H GLY 26 24.025 2.445 -10.144
147 1HA GLY 26 2HA GLY 26 24.451 0.966 -8.036
148 2HA GLY 26 1HA GLY 26 26.132 1.034 -8.563
149 H GLY 27 H GLY 27 23.449 2.965 -7.329
150 1HA GLY 27 2HA GLY 27 24.899 4.603 -5.618
151 2HA GLY 27 1HA GLY 27 24.962 5.442 -7.171
152 H SER 28 H SER 28 22.929 4.545 -4.498
153 HA SER 28 HA SER 28 20.921 6.513 -5.392
154 1HB SER 28 2HB SER 28 19.452 4.149 -4.691
155 2HB SER 28 1HB SER 28 19.455 5.021 -6.218
156 HG SER 28 HG SER 28 20.894 3.649 -7.024
157 HA PRO 29 HA PRO 29 19.844 5.352 -0.938
158 1HB PRO 29 2HB PRO 29 20.963 3.152 0.244
159 2HB PRO 29 1HB PRO 29 19.454 3.089 -0.686
160 1HG PRO 29 2HG PRO 29 22.192 2.263 -1.467
161 2HG PRO 29 1HG PRO 29 20.627 1.569 -1.917
162 1HD PRO 29 2HD PRO 29 22.154 3.210 -3.529
163 2HD PRO 29 1HD PRO 29 20.409 2.939 -3.720
164 H ALA 30 H ALA 30 20.915 6.837 0.342
165 HA ALA 30 HA ALA 30 23.812 7.120 0.225
166 1HB ALA 30 1HB ALA 30 23.329 9.012 1.779
167 2HB ALA 30 2HB ALA 30 21.659 8.453 1.898
168 3HB ALA 30 3HB ALA 30 22.293 9.034 0.356
169 H GLU 31 H GLU 31 21.749 5.175 2.126
170 HA GLU 31 HA GLU 31 23.282 5.226 4.600
171 1HB GLU 31 2HB GLU 31 20.990 4.718 4.845
172 2HB GLU 31 1HB GLU 31 20.971 3.677 3.425
173 1HG GLU 31 2HG GLU 31 20.856 2.190 5.277
174 2HG GLU 31 1HG GLU 31 22.538 2.122 4.756
175 H GLY 32 H GLY 32 22.705 2.741 2.106
176 1HA GLY 32 2HA GLY 32 25.370 1.970 1.657
177 2HA GLY 32 1HA GLY 32 24.808 0.994 3.014
178 H CYS 33 H CYS 33 22.479 0.053 2.580
179 HA CYS 33 HA CYS 33 22.062 -0.677 -0.269
180 1HB CYS 33 2HB CYS 33 22.055 -3.113 0.424
181 2HB CYS 33 1HB CYS 33 23.640 -2.342 0.526
182 H ALA 34 H ALA 34 20.066 0.518 0.023
183 HA ALA 34 HA ALA 34 18.160 -0.336 2.106
184 1HB ALA 34 1HB ALA 34 17.801 1.543 -0.250
185 2HB ALA 34 2HB ALA 34 18.516 2.023 1.293
186 3HB ALA 34 3HB ALA 34 16.839 1.484 1.227
187 H GLU 35 H GLU 35 18.874 -2.458 0.227
188 HA GLU 35 HA GLU 35 16.318 -2.734 -1.316
189 1HB GLU 35 2HB GLU 35 19.153 -3.226 -1.875
190 2HB GLU 35 1HB GLU 35 18.133 -4.613 -2.273
191 1HG GLU 35 2HG GLU 35 17.965 -3.382 -4.244
192 2HG GLU 35 1HG GLU 35 16.581 -2.753 -3.357
193 H ALA 36 H ALA 36 15.492 -4.991 -1.430
194 HA ALA 36 HA ALA 36 15.774 -6.346 1.216
195 1HB ALA 36 1HB ALA 36 13.683 -6.089 -0.916
196 2HB ALA 36 2HB ALA 36 13.541 -5.826 0.819
197 3HB ALA 36 3HB ALA 36 13.607 -7.469 0.181
198 H GLU 37 H GLU 37 17.062 -6.781 -1.876
199 HA GLU 37 HA GLU 37 16.663 -9.664 -2.098
200 1HB GLU 37 2HB GLU 37 18.310 -9.396 -3.972
201 2HB GLU 37 1HB GLU 37 16.936 -8.290 -4.078
202 1HG GLU 37 2HG GLU 37 19.020 -7.060 -2.508
203 2HG GLU 37 1HG GLU 37 19.696 -7.618 -4.038
204 H GLY 38 H GLY 38 19.132 -7.585 -0.627
205 1HA GLY 38 2HA GLY 38 20.537 -10.105 0.190
206 2HA GLY 38 1HA GLY 38 21.455 -8.722 -0.398
207 H CYS 39 H CYS 39 20.242 -6.612 0.940
208 HA CYS 39 HA CYS 39 21.342 -7.009 3.615
209 1HB CYS 39 2HB CYS 39 20.253 -4.751 1.991
210 2HB CYS 39 1HB CYS 39 20.358 -4.543 3.733
211 H LEU 40 H LEU 40 18.328 -7.846 2.449
212 HA LEU 40 HA LEU 40 16.659 -6.859 4.619
213 1HB LEU 40 2HB LEU 40 16.197 -7.814 2.135
214 2HB LEU 40 1HB LEU 40 15.918 -9.288 3.059
215 HG LEU 40 HG LEU 40 14.526 -6.617 3.414
216 1HD1 LEU 40 1HD1 LEU 40 12.764 -7.558 2.335
217 2HD1 LEU 40 2HD1 LEU 40 13.009 -9.126 3.102
218 3HD1 LEU 40 3HD1 LEU 40 13.967 -8.675 1.692
219 1HD2 LEU 40 1HD2 LEU 40 13.305 -7.642 5.261
220 2HD2 LEU 40 2HD2 LEU 40 15.031 -7.743 5.605
221 3HD2 LEU 40 3HD2 LEU 40 14.161 -9.165 5.026
222 H ARG 41 H ARG 41 18.728 -7.853 5.984
223 HA ARG 41 HA ARG 41 17.643 -9.918 7.647
224 1HB ARG 41 2HB ARG 41 19.280 -11.716 6.994
225 2HB ARG 41 1HB ARG 41 18.105 -11.346 5.735
226 1HG ARG 41 2HG ARG 41 19.841 -9.777 4.731
227 2HG ARG 41 1HG ARG 41 21.000 -10.457 5.875
228 1HD ARG 41 2HD ARG 41 19.619 -12.639 4.608
229 2HD ARG 41 1HD ARG 41 20.214 -11.536 3.348
230 HE ARG 41 HE ARG 41 22.292 -11.790 5.246
231 1HH1 ARG 41 1HH2 ARG 41 20.510 -13.816 3.053
232 2HH1 ARG 41 2HH2 ARG 41 21.832 -14.894 2.777
233 1HH2 ARG 41 1HH1 ARG 41 24.017 -13.199 4.874
234 2HH2 ARG 41 2HH1 ARG 41 23.809 -14.542 3.803
235 H ARG 42 H ARG 42 18.915 -7.395 8.105
236 HA ARG 42 HA ARG 42 21.399 -8.231 9.520
237 1HB ARG 42 2HB ARG 42 21.276 -6.528 7.403
238 2HB ARG 42 1HB ARG 42 21.039 -5.386 8.730
239 1HG ARG 42 2HG ARG 42 23.059 -6.669 9.819
240 2HG ARG 42 1HG ARG 42 23.402 -7.152 8.157
241 1HD ARG 42 2HD ARG 42 22.852 -4.389 8.016
242 2HD ARG 42 1HD ARG 42 23.894 -4.590 9.437
243 HE ARG 42 HE ARG 42 24.684 -5.053 6.670
244 1HH1 ARG 42 1HH2 ARG 42 25.174 -6.029 9.975
245 2HH1 ARG 42 2HH2 ARG 42 26.764 -6.644 9.687
246 1HH2 ARG 42 1HH1 ARG 42 26.758 -5.843 6.313
247 2HH2 ARG 42 2HH1 ARG 42 27.664 -6.526 7.619
248 H GLU 43 H GLU 43 18.275 -7.514 10.157
249 HA GLU 43 HA GLU 43 18.604 -5.507 12.247
250 1HB GLU 43 2HB GLU 43 16.567 -6.291 10.688
251 2HB GLU 43 1HB GLU 43 16.234 -7.310 12.086
252 1HG GLU 43 2HG GLU 43 15.195 -5.512 12.972
253 2HG GLU 43 1HG GLU 43 16.804 -4.838 13.219
254 H GLY 44 H GLY 44 20.461 -7.108 13.076
255 1HA GLY 44 2HA GLY 44 19.398 -8.382 15.493
256 2HA GLY 44 1HA GLY 44 20.132 -9.508 14.350
257 H GLN 45 HN GLN 45 20.834 -6.433 16.031
258 HA GLN 45 HA GLN 45 23.741 -7.151 15.978
259 1HB GLN 45 2HB GLN 45 22.228 -4.814 15.378
260 2HB GLN 45 1HB GLN 45 23.169 -4.461 16.827
261 1HG GLN 45 2HG GLN 45 25.194 -5.406 15.605
262 2HG GLN 45 1HG GLN 45 24.206 -5.408 14.142
263 1HE2 GLN 45 1HE2 GLN 45 25.049 -3.127 16.815
264 2HE2 GLN 45 2HE2 GLN 45 25.175 -1.770 15.807
Start of MODEL 11
1 1H ALA 1 1HT ALA 1 -18.349 6.046 1.257
2 2H ALA 1 2HT ALA 1 -17.196 5.438 2.339
3 3H ALA 1 3HT ALA 1 -18.739 4.731 2.252
4 HA ALA 1 HA ALA 1 -16.818 4.756 -0.023
5 1HB ALA 1 1HB ALA 1 -15.928 3.601 1.985
6 2HB ALA 1 2HB ALA 1 -16.310 2.447 0.707
7 3HB ALA 1 3HB ALA 1 -17.402 2.636 2.080
8 H LEU 2 H LEU 2 -18.457 4.943 -1.616
9 HA LEU 2 HA LEU 2 -20.036 2.579 -2.161
10 1HB LEU 2 2HB LEU 2 -21.148 4.122 -0.256
11 2HB LEU 2 1HB LEU 2 -21.760 4.974 -1.674
12 HG LEU 2 HG LEU 2 -21.989 2.055 -1.901
13 1HD1 LEU 2 1HD1 LEU 2 -23.573 3.507 0.241
14 2HD1 LEU 2 2HD1 LEU 2 -22.335 2.287 0.540
15 3HD1 LEU 2 3HD1 LEU 2 -23.829 1.841 -0.283
16 1HD2 LEU 2 1HD2 LEU 2 -24.086 4.243 -1.993
17 2HD2 LEU 2 2HD2 LEU 2 -24.190 2.636 -2.714
18 3HD2 LEU 2 3HD2 LEU 2 -23.057 3.823 -3.362
19 H ALA 3 H ALA 3 -18.981 2.854 -4.244
20 HA ALA 3 HA ALA 3 -20.401 4.623 -6.079
21 1HB ALA 3 1HB ALA 3 -18.468 5.979 -6.672
22 2HB ALA 3 2HB ALA 3 -17.432 5.031 -5.606
23 3HB ALA 3 3HB ALA 3 -18.683 6.071 -4.924
24 H ARG 4 H ARG 4 -20.617 3.341 -7.879
25 HA ARG 4 HA ARG 4 -18.739 1.124 -8.338
26 1HB ARG 4 2HB ARG 4 -21.346 1.163 -8.477
27 2HB ARG 4 1HB ARG 4 -21.090 1.878 -10.067
28 1HG ARG 4 2HG ARG 4 -19.410 -0.484 -9.542
29 2HG ARG 4 1HG ARG 4 -21.139 -0.830 -9.548
30 1HD ARG 4 2HD ARG 4 -20.215 0.938 -11.748
31 2HD ARG 4 1HD ARG 4 -19.630 -0.736 -11.821
32 HE ARG 4 HE ARG 4 -22.423 -0.738 -11.140
33 1HH1 ARG 4 1HH2 ARG 4 -20.240 -0.137 -13.778
34 2HH1 ARG 4 2HH2 ARG 4 -21.386 -0.581 -14.991
35 1HH2 ARG 4 1HH1 ARG 4 -23.919 -1.324 -12.733
36 2HH2 ARG 4 2HH1 ARG 4 -23.471 -1.244 -14.403
37 H CYS 5 H CYS 5 -16.856 2.340 -9.012
38 HA CYS 5 HA CYS 5 -17.016 3.293 -11.831
39 1HB CYS 5 2HB CYS 5 -16.348 5.409 -11.273
40 2HB CYS 5 1HB CYS 5 -17.075 5.012 -9.725
41 HA PRO 6 HA PRO 6 -13.228 1.070 -12.147
42 1HB PRO 6 2HB PRO 6 -11.984 2.404 -14.191
43 2HB PRO 6 1HB PRO 6 -13.369 1.323 -14.438
44 1HG PRO 6 2HG PRO 6 -13.269 4.286 -14.390
45 2HG PRO 6 1HG PRO 6 -14.296 3.204 -15.339
46 1HD PRO 6 2HD PRO 6 -15.108 4.574 -13.081
47 2HD PRO 6 1HD PRO 6 -15.897 3.118 -13.731
48 H GLY 7 H GLY 7 -12.598 4.598 -12.468
49 1HA GLY 7 2HA GLY 7 -10.030 4.312 -11.050
50 2HA GLY 7 1HA GLY 7 -10.688 5.810 -11.710
51 H CYS 8 H CYS 8 -11.651 3.412 -9.222
52 HA CYS 8 HA CYS 8 -12.711 5.639 -7.550
53 1HB CYS 8 2HB CYS 8 -13.049 2.699 -7.831
54 2HB CYS 8 1HB CYS 8 -13.297 3.362 -6.218
55 H GLY 9 H GLY 9 -9.737 4.946 -7.927
56 1HA GLY 9 2HA GLY 9 -9.077 4.957 -5.033
57 2HA GLY 9 1HA GLY 9 -8.299 3.741 -6.048
58 H GLN 10 H GLN 10 -6.181 4.577 -5.902
59 HA GLN 10 HA GLN 10 -5.346 7.265 -6.056
60 1HB GLN 10 2HB GLN 10 -4.209 4.567 -6.589
61 2HB GLN 10 1HB GLN 10 -3.316 5.930 -7.264
62 1HG GLN 10 2HG GLN 10 -3.803 6.899 -4.786
63 2HG GLN 10 1HG GLN 10 -3.744 5.175 -4.422
64 1HE2 GLN 10 1HE2 GLN 10 -1.653 5.619 -3.266
65 2HE2 GLN 10 2HE2 GLN 10 -0.227 5.808 -4.164
66 H GLY 11 H GLY 11 -5.708 4.949 -8.780
67 1HA GLY 11 2HA GLY 11 -6.700 5.744 -10.900
68 2HA GLY 11 1HA GLY 11 -5.961 7.315 -10.592
69 H VAL 12 H VAL 12 -3.421 5.896 -9.666
70 HA VAL 12 HA VAL 12 -2.291 5.538 -12.398
71 HB VAL 12 HB VAL 12 -0.131 5.771 -11.147
72 1HG1 VAL 12 1HG1 VAL 12 -2.068 7.948 -10.334
73 2HG1 VAL 12 2HG1 VAL 12 -1.528 7.736 -12.000
74 3HG1 VAL 12 3HG1 VAL 12 -0.358 8.108 -10.735
75 1HG2 VAL 12 1HG2 VAL 12 -1.665 6.545 -8.689
76 2HG2 VAL 12 2HG2 VAL 12 -0.011 5.956 -8.838
77 3HG2 VAL 12 3HG2 VAL 12 -1.360 4.832 -8.976
78 H GLN 13 H GLN 13 -3.892 3.385 -11.638
79 HA GLN 13 HA GLN 13 -3.894 1.051 -11.375
80 1HB GLN 13 2HB GLN 13 -1.039 1.331 -12.230
81 2HB GLN 13 1HB GLN 13 -2.121 -0.007 -12.548
82 1HG GLN 13 2HG GLN 13 -3.449 2.231 -13.591
83 2HG GLN 13 1HG GLN 13 -1.765 2.458 -14.050
84 1HE2 GLN 13 1HE2 GLN 13 -4.505 1.223 -15.309
85 2HE2 GLN 13 2HE2 GLN 13 -3.878 -0.070 -16.210
86 H ALA 14 H ALA 14 -3.534 2.279 -8.915
87 HA ALA 14 HA ALA 14 -1.258 0.840 -7.612
88 1HB ALA 14 1HB ALA 14 -3.084 2.880 -6.338
89 2HB ALA 14 2HB ALA 14 -1.790 3.390 -7.423
90 3HB ALA 14 3HB ALA 14 -1.405 2.510 -5.945
91 H GLY 15 H GLY 15 -1.756 -0.255 -5.518
92 1HA GLY 15 2HA GLY 15 -3.095 -1.574 -4.083
93 2HA GLY 15 1HA GLY 15 -4.523 -0.844 -4.821
94 H CYS 16 H CYS 16 -1.928 -3.188 -5.557
95 HA CYS 16 HA CYS 16 -3.478 -4.449 -7.703
96 1HB CYS 16 2HB CYS 16 -1.529 -5.870 -7.866
97 2HB CYS 16 1HB CYS 16 -0.942 -4.248 -7.494
98 HA PRO 17 HA PRO 17 -5.491 -7.529 -5.243
99 1HB PRO 17 2HB PRO 17 -5.401 -9.728 -6.868
100 2HB PRO 17 1HB PRO 17 -6.442 -8.331 -7.199
101 1HG PRO 17 2HG PRO 17 -3.870 -9.114 -8.451
102 2HG PRO 17 1HG PRO 17 -5.274 -8.303 -9.159
103 1HD PRO 17 2HD PRO 17 -2.929 -7.048 -8.394
104 2HD PRO 17 1HD PRO 17 -4.500 -6.240 -8.622
105 H GLY 18 H GLY 18 -2.931 -7.219 -4.250
106 1HA GLY 18 2HA GLY 18 -1.673 -8.530 -2.685
107 2HA GLY 18 1HA GLY 18 -2.205 -9.993 -3.517
108 H GLY 19 H GLY 19 -1.472 -9.318 -6.162
109 1HA GLY 19 2HA GLY 19 1.367 -9.891 -6.065
110 2HA GLY 19 1HA GLY 19 0.401 -9.685 -7.528
111 H CYS 20 H CYS 20 2.152 -7.938 -5.003
112 HA CYS 20 HA CYS 20 2.254 -5.546 -6.825
113 1HB CYS 20 2HB CYS 20 1.908 -5.935 -3.899
114 2HB CYS 20 1HB CYS 20 2.908 -4.568 -4.386
115 H VAL 21 H VAL 21 4.229 -5.346 -7.752
116 HA VAL 21 HA VAL 21 6.588 -6.712 -6.643
117 HB VAL 21 HB VAL 21 6.366 -4.810 -9.003
118 1HG1 VAL 21 1HG1 VAL 21 8.242 -6.256 -9.855
119 2HG1 VAL 21 2HG1 VAL 21 8.267 -7.062 -8.286
120 3HG1 VAL 21 3HG1 VAL 21 8.652 -5.346 -8.402
121 1HG2 VAL 21 1HG2 VAL 21 4.783 -6.376 -9.654
122 2HG2 VAL 21 2HG2 VAL 21 5.487 -7.655 -8.664
123 3HG2 VAL 21 3HG2 VAL 21 6.245 -7.201 -10.191
124 H GLU 22 H GLU 22 6.465 -5.340 -4.602
125 HA GLU 22 HA GLU 22 7.363 -2.547 -4.908
126 1HB GLU 22 2HB GLU 22 6.596 -4.265 -2.527
127 2HB GLU 22 1HB GLU 22 6.901 -2.535 -2.465
128 1HG GLU 22 2HG GLU 22 5.002 -2.051 -3.844
129 2HG GLU 22 1HG GLU 22 4.808 -3.747 -4.278
130 H GLU 23 H GLU 23 9.272 -4.553 -5.713
131 HA GLU 23 HA GLU 23 11.492 -3.892 -3.921
132 1HB GLU 23 2HB GLU 23 11.973 -6.506 -3.916
133 2HB GLU 23 1HB GLU 23 10.904 -5.797 -2.711
134 1HG GLU 23 2HG GLU 23 8.951 -6.359 -4.175
135 2HG GLU 23 1HG GLU 23 10.059 -7.156 -5.292
136 H GLU 24 H GLU 24 11.460 -2.929 -6.386
137 HA GLU 24 HA GLU 24 12.954 -4.835 -8.119
138 1HB GLU 24 2HB GLU 24 11.964 -2.305 -9.280
139 2HB GLU 24 1HB GLU 24 11.828 -3.946 -9.897
140 1HG GLU 24 2HG GLU 24 9.617 -3.657 -9.400
141 2HG GLU 24 1HG GLU 24 10.131 -4.099 -7.775
142 H ASP 25 H ASP 25 14.955 -4.121 -9.047
143 HA ASP 25 HA ASP 25 16.211 -1.815 -7.649
144 1HB ASP 25 2HB ASP 25 18.281 -2.872 -8.279
145 2HB ASP 25 1HB ASP 25 17.209 -4.173 -7.776
146 H GLY 26 H GLY 26 17.868 -0.630 -9.222
147 1HA GLY 26 2HA GLY 26 16.466 -0.117 -11.819
148 2HA GLY 26 1HA GLY 26 17.077 1.209 -10.828
149 H GLY 27 H GLY 27 18.872 -1.818 -11.134
150 1HA GLY 27 2HA GLY 27 20.896 -2.292 -12.252
151 2HA GLY 27 1HA GLY 27 20.560 -0.936 -13.330
152 H SER 28 H SER 28 20.840 1.295 -12.196
153 HA SER 28 HA SER 28 23.532 1.357 -10.998
154 1HB SER 28 2HB SER 28 21.506 3.493 -11.722
155 2HB SER 28 1HB SER 28 23.174 3.812 -11.250
156 HG SER 28 HG SER 28 22.255 3.242 -13.655
157 HA PRO 29 HA PRO 29 21.665 1.288 -6.902
158 1HB PRO 29 2HB PRO 29 24.032 1.239 -5.528
159 2HB PRO 29 1HB PRO 29 23.315 -0.196 -6.288
160 1HG PRO 29 2HG PRO 29 25.521 1.554 -7.262
161 2HG PRO 29 1HG PRO 29 25.355 -0.208 -7.356
162 1HD PRO 29 2HD PRO 29 24.868 1.451 -9.454
163 2HD PRO 29 1HD PRO 29 24.058 -0.117 -9.242
164 H ALA 30 H ALA 30 21.510 2.835 -5.156
165 HA ALA 30 HA ALA 30 22.683 5.496 -5.789
166 1HB ALA 30 1HB ALA 30 20.340 5.624 -5.959
167 2HB ALA 30 2HB ALA 30 20.653 6.198 -4.321
168 3HB ALA 30 3HB ALA 30 20.097 4.545 -4.584
169 H GLU 31 H GLU 31 21.668 3.483 -3.002
170 HA GLU 31 HA GLU 31 23.556 4.974 -1.263
171 1HB GLU 31 2HB GLU 31 21.206 4.825 -0.568
172 2HB GLU 31 1HB GLU 31 21.270 3.068 -0.683
173 1HG GLU 31 2HG GLU 31 21.898 3.041 1.480
174 2HG GLU 31 1HG GLU 31 23.426 3.755 0.969
175 H GLY 32 H GLY 32 22.473 1.583 -1.514
176 1HA GLY 32 2HA GLY 32 24.697 0.204 -2.222
177 2HA GLY 32 1HA GLY 32 25.117 0.669 -0.572
178 H CYS 33 H CYS 33 23.015 0.295 0.949
179 HA CYS 33 HA CYS 33 21.895 -2.411 0.294
180 1HB CYS 33 2HB CYS 33 23.429 -1.429 2.700
181 2HB CYS 33 1HB CYS 33 22.280 -2.755 2.867
182 H ALA 34 H ALA 34 20.211 -0.461 -0.240
183 HA ALA 34 HA ALA 34 18.498 -0.124 2.214
184 1HB ALA 34 1HB ALA 34 19.564 1.961 1.376
185 2HB ALA 34 2HB ALA 34 17.811 2.019 1.204
186 3HB ALA 34 3HB ALA 34 18.825 1.693 -0.203
187 H GLU 35 H GLU 35 18.576 -2.250 0.042
188 HA GLU 35 HA GLU 35 15.834 -1.857 -1.104
189 1HB GLU 35 2HB GLU 35 18.330 -3.300 -2.045
190 2HB GLU 35 1HB GLU 35 16.758 -3.543 -2.808
191 1HG GLU 35 2HG GLU 35 17.776 -1.826 -4.091
192 2HG GLU 35 1HG GLU 35 16.658 -0.976 -3.028
193 H ALA 36 H ALA 36 15.128 -4.368 -1.768
194 HA ALA 36 HA ALA 36 14.802 -5.710 0.859
195 1HB ALA 36 1HB ALA 36 12.914 -5.186 -0.702
196 2HB ALA 36 2HB ALA 36 13.029 -6.901 -0.305
197 3HB ALA 36 3HB ALA 36 13.610 -6.313 -1.863
198 H GLU 37 H GLU 37 16.513 -6.224 -2.193
199 HA GLU 37 HA GLU 37 16.951 -9.079 -1.749
200 1HB GLU 37 2HB GLU 37 16.810 -7.947 -3.982
201 2HB GLU 37 1HB GLU 37 18.325 -7.113 -3.617
202 1HG GLU 37 2HG GLU 37 19.451 -8.893 -4.405
203 2HG GLU 37 1HG GLU 37 18.781 -9.864 -3.097
204 H GLY 38 H GLY 38 17.759 -7.924 0.603
205 1HA GLY 38 2HA GLY 38 19.588 -7.585 2.063
206 2HA GLY 38 1HA GLY 38 20.331 -8.873 1.108
207 H CYS 39 H CYS 39 22.150 -8.347 0.021
208 HA CYS 39 HA CYS 39 22.586 -5.542 -0.886
209 1HB CYS 39 2HB CYS 39 24.358 -7.197 0.941
210 2HB CYS 39 1HB CYS 39 24.927 -5.753 0.108
211 H LEU 40 H LEU 40 23.772 -5.492 -2.842
212 HA LEU 40 HA LEU 40 24.019 -7.935 -4.343
213 1HB LEU 40 2HB LEU 40 24.354 -5.044 -4.695
214 2HB LEU 40 1HB LEU 40 25.505 -5.980 -5.647
215 HG LEU 40 HG LEU 40 22.547 -6.620 -5.612
216 1HD1 LEU 40 1HD1 LEU 40 22.632 -5.442 -7.912
217 2HD1 LEU 40 2HD1 LEU 40 24.108 -4.678 -7.322
218 3HD1 LEU 40 3HD1 LEU 40 22.581 -4.414 -6.480
219 1HD2 LEU 40 1HD2 LEU 40 23.198 -7.639 -7.834
220 2HD2 LEU 40 2HD2 LEU 40 23.920 -8.422 -6.429
221 3HD2 LEU 40 3HD2 LEU 40 24.881 -7.317 -7.415
222 H ARG 41 H ARG 41 26.381 -7.974 -5.640
223 HA ARG 41 HA ARG 41 28.335 -8.563 -3.486
224 1HB ARG 41 2HB ARG 41 28.071 -9.521 -6.348
225 2HB ARG 41 1HB ARG 41 29.309 -10.071 -5.218
226 1HG ARG 41 2HG ARG 41 27.868 -11.450 -4.136
227 2HG ARG 41 1HG ARG 41 26.582 -10.241 -4.123
228 1HD ARG 41 2HD ARG 41 25.787 -12.048 -5.513
229 2HD ARG 41 1HD ARG 41 26.279 -10.760 -6.631
230 HE ARG 41 HE ARG 41 28.563 -12.376 -6.093
231 1HH1 ARG 41 1HH2 ARG 41 25.463 -12.545 -7.663
232 2HH1 ARG 41 2HH2 ARG 41 25.966 -13.744 -8.799
233 1HH2 ARG 41 1HH1 ARG 41 29.213 -13.951 -7.583
234 2HH2 ARG 41 2HH1 ARG 41 28.091 -14.527 -8.769
235 H ARG 42 H ARG 42 29.910 -7.059 -3.233
236 HA ARG 42 HA ARG 42 31.597 -5.500 -3.701
237 1HB ARG 42 2HB ARG 42 32.155 -7.500 -5.204
238 2HB ARG 42 1HB ARG 42 31.433 -6.573 -6.521
239 1HG ARG 42 2HG ARG 42 33.030 -4.809 -6.291
240 2HG ARG 42 1HG ARG 42 33.616 -5.447 -4.756
241 1HD ARG 42 2HD ARG 42 35.207 -5.991 -6.570
242 2HD ARG 42 1HD ARG 42 34.447 -7.477 -5.962
243 HE ARG 42 HE ARG 42 32.738 -6.609 -7.991
244 1HH1 ARG 42 1HH2 ARG 42 36.121 -7.407 -7.710
245 2HH1 ARG 42 2HH2 ARG 42 36.240 -7.934 -9.346
246 1HH2 ARG 42 1HH1 ARG 42 32.925 -7.313 -10.119
247 2HH2 ARG 42 2HH1 ARG 42 34.446 -7.860 -10.729
248 H GLU 43 H GLU 43 29.142 -4.265 -3.686
249 HA GLU 43 HA GLU 43 28.926 -2.677 -6.173
250 1HB GLU 43 2HB GLU 43 27.250 -2.863 -3.648
251 2HB GLU 43 1HB GLU 43 26.851 -1.833 -5.023
252 1HG GLU 43 2HG GLU 43 27.068 -4.856 -5.024
253 2HG GLU 43 1HG GLU 43 25.603 -3.901 -5.228
254 H GLY 44 H GLY 44 29.571 -0.536 -6.237
255 1HA GLY 44 2HA GLY 44 29.913 1.629 -5.079
256 2HA GLY 44 1HA GLY 44 30.454 0.719 -3.666
257 H GLN 45 HN GLN 45 32.183 -1.111 -4.809
258 HA GLN 45 HA GLN 45 34.481 0.619 -5.525
259 1HB GLN 45 2HB GLN 45 34.140 -2.326 -4.861
260 2HB GLN 45 1HB GLN 45 35.699 -1.574 -5.202
261 1HG GLN 45 2HG GLN 45 35.793 -1.107 -2.992
262 2HG GLN 45 1HG GLN 45 34.579 0.131 -3.318
263 1HE2 GLN 45 1HE2 GLN 45 32.587 -0.132 -2.242
264 2HE2 GLN 45 2HE2 GLN 45 32.083 -1.571 -1.498
Start of MODEL 12
1 1H ALA 1 1HT ALA 1 27.023 38.398 26.179
2 2H ALA 1 2HT ALA 1 27.312 38.740 24.542
3 3H ALA 1 3HT ALA 1 28.596 38.739 25.653
4 HA ALA 1 HA ALA 1 28.303 36.355 26.018
5 1HB ALA 1 1HB ALA 1 26.598 35.196 24.721
6 2HB ALA 1 2HB ALA 1 26.230 36.663 23.814
7 3HB ALA 1 3HB ALA 1 25.822 36.560 25.528
8 H LEU 2 H LEU 2 29.281 34.791 24.459
9 HA LEU 2 HA LEU 2 31.116 36.098 22.634
10 1HB LEU 2 2HB LEU 2 31.970 33.811 22.349
11 2HB LEU 2 1HB LEU 2 31.661 34.132 24.054
12 HG LEU 2 HG LEU 2 29.238 33.127 22.936
13 1HD1 LEU 2 1HD1 LEU 2 29.909 30.991 22.031
14 2HD1 LEU 2 2HD1 LEU 2 31.609 31.326 22.369
15 3HD1 LEU 2 3HD1 LEU 2 30.756 32.247 21.128
16 1HD2 LEU 2 1HD2 LEU 2 31.146 31.481 24.574
17 2HD2 LEU 2 2HD2 LEU 2 29.392 31.607 24.701
18 3HD2 LEU 2 3HD2 LEU 2 30.415 32.924 25.273
19 H ALA 3 H ALA 3 31.366 34.775 20.377
20 HA ALA 3 HA ALA 3 28.856 34.038 19.098
21 1HB ALA 3 1HB ALA 3 28.462 35.996 17.912
22 2HB ALA 3 2HB ALA 3 30.163 36.461 17.923
23 3HB ALA 3 3HB ALA 3 29.177 36.683 19.369
24 H ARG 4 H ARG 4 29.640 34.534 16.438
25 HA ARG 4 HA ARG 4 31.425 32.390 15.880
26 1HB ARG 4 2HB ARG 4 30.622 34.811 14.226
27 2HB ARG 4 1HB ARG 4 31.355 33.350 13.565
28 1HG ARG 4 2HG ARG 4 29.329 32.357 13.467
29 2HG ARG 4 1HG ARG 4 29.117 32.595 15.203
30 1HD ARG 4 2HD ARG 4 27.505 34.150 14.760
31 2HD ARG 4 1HD ARG 4 28.724 35.146 13.942
32 HE ARG 4 HE ARG 4 28.023 34.267 11.860
33 1HH1 ARG 4 1HH2 ARG 4 26.705 32.451 14.517
34 2HH1 ARG 4 2HH2 ARG 4 25.548 31.617 13.541
35 1HH2 ARG 4 1HH1 ARG 4 26.508 33.160 10.579
36 2HH2 ARG 4 2HH1 ARG 4 25.434 32.016 11.317
37 H CYS 5 H CYS 5 33.643 32.339 15.750
38 HA CYS 5 HA CYS 5 35.157 34.757 16.501
39 1HB CYS 5 2HB CYS 5 36.820 33.236 17.091
40 2HB CYS 5 1HB CYS 5 35.403 32.198 17.209
41 HA PRO 6 HA PRO 6 36.270 35.694 12.339
42 1HB PRO 6 2HB PRO 6 38.449 37.276 12.801
43 2HB PRO 6 1HB PRO 6 36.786 37.789 13.136
44 1HG PRO 6 2HG PRO 6 38.905 36.941 15.005
45 2HG PRO 6 1HG PRO 6 37.551 38.051 15.253
46 1HD PRO 6 2HD PRO 6 37.707 35.382 16.107
47 2HD PRO 6 1HD PRO 6 36.255 36.410 16.092
48 H GLY 7 H GLY 7 37.205 33.115 13.066
49 1HA GLY 7 2HA GLY 7 39.141 32.497 11.173
50 2HA GLY 7 1HA GLY 7 40.069 32.876 12.622
51 H CYS 8 H CYS 8 36.904 31.263 12.413
52 HA CYS 8 HA CYS 8 37.802 29.138 14.219
53 1HB CYS 8 2HB CYS 8 35.274 29.928 12.782
54 2HB CYS 8 1HB CYS 8 35.378 28.349 13.557
55 H GLY 9 H GLY 9 36.911 26.788 13.393
56 1HA GLY 9 2HA GLY 9 38.557 26.174 11.027
57 2HA GLY 9 1HA GLY 9 37.792 24.994 12.093
58 H GLN 10 H GLN 10 35.417 24.712 11.857
59 HA GLN 10 HA GLN 10 34.623 24.450 9.112
60 1HB GLN 10 2HB GLN 10 33.619 23.861 11.799
61 2HB GLN 10 1HB GLN 10 32.322 24.305 10.690
62 1HG GLN 10 2HG GLN 10 34.138 22.552 9.320
63 2HG GLN 10 1HG GLN 10 33.692 21.817 10.860
64 1HE2 GLN 10 1HE2 GLN 10 32.768 21.467 7.842
65 2HE2 GLN 10 2HE2 GLN 10 31.080 21.391 7.994
66 H GLY 11 H GLY 11 32.817 26.327 11.576
67 1HA GLY 11 2HA GLY 11 31.836 28.468 11.427
68 2HA GLY 11 1HA GLY 11 32.855 28.778 10.024
69 H VAL 12 H VAL 12 31.127 25.891 9.601
70 HA VAL 12 HA VAL 12 28.644 27.051 8.589
71 HB VAL 12 HB VAL 12 30.183 27.700 6.822
72 1HG1 VAL 12 1HG1 VAL 12 32.104 26.446 6.861
73 2HG1 VAL 12 2HG1 VAL 12 31.259 25.548 5.601
74 3HG1 VAL 12 3HG1 VAL 12 31.253 24.955 7.261
75 1HG2 VAL 12 1HG2 VAL 12 29.226 26.503 4.906
76 2HG2 VAL 12 2HG2 VAL 12 27.975 26.808 6.110
77 3HG2 VAL 12 3HG2 VAL 12 28.686 25.201 5.965
78 H GLN 13 H GLN 13 27.964 25.416 10.162
79 HA GLN 13 HA GLN 13 28.576 22.680 10.203
80 1HB GLN 13 2HB GLN 13 27.186 23.942 11.830
81 2HB GLN 13 1HB GLN 13 25.886 24.021 10.641
82 1HG GLN 13 2HG GLN 13 26.668 21.293 10.818
83 2HG GLN 13 1HG GLN 13 26.519 21.889 12.470
84 1HE2 GLN 13 1HE2 GLN 13 24.686 20.292 10.308
85 2HE2 GLN 13 2HE2 GLN 13 23.159 20.957 10.641
86 H ALA 14 H ALA 14 28.727 21.614 8.218
87 HA ALA 14 HA ALA 14 26.322 21.619 6.424
88 1HB ALA 14 1HB ALA 14 28.748 22.290 5.712
89 2HB ALA 14 2HB ALA 14 27.854 21.189 4.664
90 3HB ALA 14 3HB ALA 14 29.078 20.557 5.765
91 H GLY 15 H GLY 15 26.608 20.036 8.946
92 1HA GLY 15 2HA GLY 15 25.373 17.709 8.615
93 2HA GLY 15 1HA GLY 15 26.951 17.262 7.959
94 H CYS 16 H CYS 16 28.798 17.310 9.389
95 HA CYS 16 HA CYS 16 28.043 17.050 12.280
96 1HB CYS 16 2HB CYS 16 30.516 16.074 10.821
97 2HB CYS 16 1HB CYS 16 29.949 15.567 12.416
98 HA PRO 17 HA PRO 17 30.358 20.963 12.242
99 1HB PRO 17 2HB PRO 17 29.319 21.890 14.600
100 2HB PRO 17 1HB PRO 17 28.481 22.042 13.043
101 1HG PRO 17 2HG PRO 17 28.032 20.106 15.254
102 2HG PRO 17 1HG PRO 17 26.863 20.895 14.185
103 1HD PRO 17 2HD PRO 17 27.704 18.305 13.884
104 2HD PRO 17 1HD PRO 17 27.088 19.318 12.557
105 H GLY 18 H GLY 18 31.892 18.782 12.892
106 1HA GLY 18 2HA GLY 18 33.906 19.551 14.539
107 2HA GLY 18 1HA GLY 18 32.728 18.967 15.711
108 H GLY 19 H GLY 19 33.295 17.524 12.504
109 1HA GLY 19 2HA GLY 19 34.374 15.490 11.962
110 2HA GLY 19 1HA GLY 19 34.873 15.341 13.651
111 H CYS 20 H CYS 20 33.358 13.554 11.616
112 HA CYS 20 HA CYS 20 31.040 12.874 13.407
113 1HB CYS 20 2HB CYS 20 31.203 13.433 10.640
114 2HB CYS 20 1HB CYS 20 30.941 11.687 10.763
115 H VAL 21 H VAL 21 33.945 11.944 13.560
116 HA VAL 21 HA VAL 21 33.364 9.009 13.393
117 HB VAL 21 HB VAL 21 34.764 9.925 11.511
118 1HG1 VAL 21 1HG1 VAL 21 37.259 10.172 12.848
119 2HG1 VAL 21 2HG1 VAL 21 36.116 11.206 13.705
120 3HG1 VAL 21 3HG1 VAL 21 36.374 11.421 11.973
121 1HG2 VAL 21 1HG2 VAL 21 35.839 7.937 11.419
122 2HG2 VAL 21 2HG2 VAL 21 35.122 7.604 12.996
123 3HG2 VAL 21 3HG2 VAL 21 36.753 8.268 12.889
124 H GLU 22 H GLU 22 33.869 11.423 15.551
125 HA GLU 22 HA GLU 22 35.843 10.015 17.243
126 1HB GLU 22 2HB GLU 22 34.540 12.727 17.175
127 2HB GLU 22 1HB GLU 22 35.434 12.188 18.591
128 1HG GLU 22 2HG GLU 22 36.690 11.939 15.880
129 2HG GLU 22 1HG GLU 22 36.678 13.506 16.688
130 H GLU 23 H GLU 23 32.748 9.412 16.754
131 HA GLU 23 HA GLU 23 32.215 8.768 19.584
132 1HB GLU 23 2HB GLU 23 31.228 11.059 18.751
133 2HB GLU 23 1HB GLU 23 30.057 10.044 17.912
134 1HG GLU 23 2HG GLU 23 29.035 9.387 19.846
135 2HG GLU 23 1HG GLU 23 30.539 9.396 20.770
136 H GLU 24 H GLU 24 30.727 8.650 16.323
137 HA GLU 24 HA GLU 24 30.191 5.769 16.789
138 1HB GLU 24 2HB GLU 24 28.174 6.258 15.259
139 2HB GLU 24 1HB GLU 24 28.098 6.906 16.894
140 1HG GLU 24 2HG GLU 24 28.287 9.088 16.185
141 2HG GLU 24 1HG GLU 24 29.343 8.674 14.837
142 H ASP 25 H ASP 25 31.882 4.872 15.561
143 HA ASP 25 HA ASP 25 32.115 5.824 12.723
144 1HB ASP 25 2HB ASP 25 34.433 5.352 12.884
145 2HB ASP 25 1HB ASP 25 34.037 6.058 14.445
146 H GLY 26 H GLY 26 30.308 3.695 13.985
147 1HA GLY 26 2HA GLY 26 29.611 1.895 12.283
148 2HA GLY 26 1HA GLY 26 31.273 1.325 12.439
149 H GLY 27 H GLY 27 31.865 0.152 14.302
150 1HA GLY 27 2HA GLY 27 31.577 -0.924 16.391
151 2HA GLY 27 1HA GLY 27 30.056 -0.057 16.589
152 H SER 28 H SER 28 28.132 -1.024 15.871
153 HA SER 28 HA SER 28 28.215 -3.936 15.541
154 1HB SER 28 2HB SER 28 25.626 -2.841 15.039
155 2HB SER 28 1HB SER 28 26.196 -3.622 16.504
156 HG SER 28 HG SER 28 25.681 -1.015 16.047
157 HA PRO 29 HA PRO 29 27.931 -4.144 11.154
158 1HB PRO 29 2HB PRO 29 26.138 -6.177 10.752
159 2HB PRO 29 1HB PRO 29 27.792 -6.451 11.342
160 1HG PRO 29 2HG PRO 29 25.229 -6.397 12.845
161 2HG PRO 29 1HG PRO 29 26.658 -7.411 13.083
162 1HD PRO 29 2HD PRO 29 26.053 -5.228 14.634
163 2HD PRO 29 1HD PRO 29 27.695 -5.868 14.406
164 H ALA 30 H ALA 30 26.627 -1.936 11.611
165 HA ALA 30 HA ALA 30 23.970 -2.208 10.294
166 1HB ALA 30 1HB ALA 30 23.748 -1.702 12.682
167 2HB ALA 30 2HB ALA 30 23.274 -0.294 11.729
168 3HB ALA 30 3HB ALA 30 24.853 -0.341 12.513
169 H GLU 31 H GLU 31 25.389 -1.813 8.305
170 HA GLU 31 HA GLU 31 26.640 0.802 8.024
171 1HB GLU 31 2HB GLU 31 27.122 0.010 5.763
172 2HB GLU 31 1HB GLU 31 27.421 -1.289 6.913
173 1HG GLU 31 2HG GLU 31 25.145 -2.205 6.406
174 2HG GLU 31 1HG GLU 31 24.963 -0.959 5.169
175 H GLY 32 H GLY 32 23.664 -0.718 6.807
176 1HA GLY 32 2HA GLY 32 21.615 0.675 6.701
177 2HA GLY 32 1HA GLY 32 22.636 2.024 6.199
178 H CYS 33 H CYS 33 21.421 -1.151 5.156
179 HA CYS 33 HA CYS 33 22.362 -0.781 2.398
180 1HB CYS 33 2HB CYS 33 21.719 -2.926 3.931
181 2HB CYS 33 1HB CYS 33 20.185 -2.708 3.088
182 H ALA 34 H ALA 34 21.200 0.215 0.762
183 HA ALA 34 HA ALA 34 18.701 1.599 1.395
184 1HB ALA 34 1HB ALA 34 18.991 2.502 -0.842
185 2HB ALA 34 2HB ALA 34 20.143 1.230 -1.251
186 3HB ALA 34 3HB ALA 34 20.568 2.454 -0.054
187 H GLU 35 H GLU 35 19.563 -1.439 -0.092
188 HA GLU 35 HA GLU 35 16.676 -1.915 -0.734
189 1HB GLU 35 2HB GLU 35 18.716 -1.576 -2.554
190 2HB GLU 35 1HB GLU 35 18.715 -3.324 -2.349
191 1HG GLU 35 2HG GLU 35 16.085 -1.935 -2.720
192 2HG GLU 35 1HG GLU 35 17.117 -2.175 -4.130
193 H ALA 36 H ALA 36 16.193 -4.289 -0.780
194 HA ALA 36 HA ALA 36 17.602 -5.675 1.445
195 1HB ALA 36 1HB ALA 36 15.224 -5.619 1.615
196 2HB ALA 36 2HB ALA 36 15.595 -7.253 1.065
197 3HB ALA 36 3HB ALA 36 15.016 -6.044 -0.085
198 H GLU 37 H GLU 37 16.794 -6.133 -1.992
199 HA GLU 37 HA GLU 37 18.131 -8.726 -2.171
200 1HB GLU 37 2HB GLU 37 16.185 -7.429 -3.571
201 2HB GLU 37 1HB GLU 37 17.588 -7.100 -4.601
202 1HG GLU 37 2HG GLU 37 18.063 -9.475 -4.814
203 2HG GLU 37 1HG GLU 37 16.819 -9.872 -3.629
204 H GLY 38 H GLY 38 18.804 -5.472 -3.549
205 1HA GLY 38 2HA GLY 38 21.505 -6.233 -4.378
206 2HA GLY 38 1HA GLY 38 20.830 -4.608 -4.424
207 H CYS 39 H CYS 39 21.732 -7.009 -1.962
208 HA CYS 39 HA CYS 39 23.030 -4.770 -0.427
209 1HB CYS 39 2HB CYS 39 20.822 -5.998 0.366
210 2HB CYS 39 1HB CYS 39 21.950 -7.250 0.883
211 H LEU 40 H LEU 40 23.065 -8.387 -0.428
212 HA LEU 40 HA LEU 40 25.845 -8.531 -1.192
213 1HB LEU 40 2HB LEU 40 26.850 -8.975 0.922
214 2HB LEU 40 1HB LEU 40 25.810 -7.586 1.206
215 HG LEU 40 HG LEU 40 24.734 -10.363 1.649
216 1HD1 LEU 40 1HD1 LEU 40 26.796 -10.363 2.920
217 2HD1 LEU 40 2HD1 LEU 40 25.453 -10.124 4.038
218 3HD1 LEU 40 3HD1 LEU 40 26.453 -8.753 3.555
219 1HD2 LEU 40 1HD2 LEU 40 22.985 -9.209 2.466
220 2HD2 LEU 40 2HD2 LEU 40 23.771 -7.733 1.912
221 3HD2 LEU 40 3HD2 LEU 40 24.035 -8.302 3.557
222 H ARG 41 H ARG 41 26.561 -10.942 -0.018
223 HA ARG 41 HA ARG 41 26.223 -13.275 -0.152
224 1HB ARG 41 2HB ARG 41 23.906 -12.120 0.936
225 2HB ARG 41 1HB ARG 41 23.302 -13.168 -0.354
226 1HG ARG 41 2HG ARG 41 24.070 -15.102 0.669
227 2HG ARG 41 1HG ARG 41 25.399 -14.266 1.472
228 1HD ARG 41 2HD ARG 41 23.308 -13.039 2.692
229 2HD ARG 41 1HD ARG 41 22.586 -14.626 2.394
230 HE ARG 41 HE ARG 41 25.102 -14.128 3.937
231 1HH1 ARG 41 1HH2 ARG 41 22.546 -16.259 2.883
232 2HH1 ARG 41 2HH2 ARG 41 23.015 -17.528 3.963
233 1HH2 ARG 41 1HH1 ARG 41 25.659 -15.768 5.362
234 2HH2 ARG 41 2HH1 ARG 41 24.784 -17.252 5.359
235 H ARG 42 H ARG 42 24.853 -14.944 -1.627
236 HA ARG 42 HA ARG 42 24.530 -13.763 -4.336
237 1HB ARG 42 2HB ARG 42 25.700 -16.500 -4.051
238 2HB ARG 42 1HB ARG 42 25.997 -15.291 -5.290
239 1HG ARG 42 2HG ARG 42 27.334 -13.961 -3.683
240 2HG ARG 42 1HG ARG 42 27.033 -15.172 -2.435
241 1HD ARG 42 2HD ARG 42 28.426 -15.748 -5.080
242 2HD ARG 42 1HD ARG 42 29.249 -15.513 -3.525
243 HE ARG 42 HE ARG 42 27.123 -17.512 -3.368
244 1HH1 ARG 42 1HH2 ARG 42 30.434 -16.938 -4.296
245 2HH1 ARG 42 2HH2 ARG 42 30.924 -18.560 -4.001
246 1HH2 ARG 42 1HH1 ARG 42 27.776 -19.632 -2.980
247 2HH2 ARG 42 2HH1 ARG 42 29.421 -20.095 -3.245
248 H GLU 43 H GLU 43 24.268 -17.042 -2.971
249 HA GLU 43 HA GLU 43 21.398 -17.086 -3.757
250 1HB GLU 43 2HB GLU 43 23.288 -19.448 -3.921
251 2HB GLU 43 1HB GLU 43 21.741 -19.240 -4.739
252 1HG GLU 43 2HG GLU 43 22.969 -18.587 -6.537
253 2HG GLU 43 1HG GLU 43 23.201 -17.075 -5.667
254 H GLY 44 H GLY 44 20.849 -16.676 -1.522
255 1HA GLY 44 2HA GLY 44 20.156 -18.761 0.113
256 2HA GLY 44 1HA GLY 44 21.838 -18.484 0.571
257 H GLN 45 HN GLN 45 18.868 -16.581 -0.017
258 HA GLN 45 HA GLN 45 19.214 -15.236 2.596
259 1HB GLN 45 2HB GLN 45 20.395 -14.173 0.338
260 2HB GLN 45 1HB GLN 45 18.845 -13.332 0.371
261 1HG GLN 45 2HG GLN 45 19.926 -13.458 3.041
262 2HG GLN 45 1HG GLN 45 21.135 -12.778 1.953
263 1HE2 GLN 45 1HE2 GLN 45 17.563 -12.441 1.685
264 2HE2 GLN 45 2HE2 GLN 45 17.575 -10.746 1.837
Start of MODEL 13
1 1H ALA 1 1HT ALA 1 39.481 46.662 16.762
2 2H ALA 1 2HT ALA 1 38.513 48.030 16.532
3 3H ALA 1 3HT ALA 1 39.347 47.363 15.214
4 HA ALA 1 HA ALA 1 37.150 46.010 16.724
5 1HB ALA 1 1HB ALA 1 36.392 47.960 15.423
6 2HB ALA 1 2HB ALA 1 35.890 46.479 14.607
7 3HB ALA 1 3HB ALA 1 37.278 47.383 14.009
8 H LEU 2 H LEU 2 37.375 43.801 16.499
9 HA LEU 2 HA LEU 2 37.939 42.528 13.981
10 1HB LEU 2 2HB LEU 2 40.183 41.575 14.675
11 2HB LEU 2 1HB LEU 2 40.208 43.314 14.390
12 HG LEU 2 HG LEU 2 39.486 42.883 17.128
13 1HD1 LEU 2 1HD1 LEU 2 41.150 40.793 16.155
14 2HD1 LEU 2 2HD1 LEU 2 40.722 41.144 17.830
15 3HD1 LEU 2 3HD1 LEU 2 42.174 41.854 17.125
16 1HD2 LEU 2 1HD2 LEU 2 41.059 44.525 17.469
17 2HD2 LEU 2 2HD2 LEU 2 40.913 44.695 15.720
18 3HD2 LEU 2 3HD2 LEU 2 42.241 43.760 16.405
19 H ALA 3 H ALA 3 37.747 40.178 14.198
20 HA ALA 3 HA ALA 3 36.589 39.334 16.805
21 1HB ALA 3 1HB ALA 3 35.146 39.358 14.761
22 2HB ALA 3 2HB ALA 3 35.309 37.745 15.455
23 3HB ALA 3 3HB ALA 3 36.237 38.185 14.021
24 H ARG 4 H ARG 4 37.016 37.025 17.408
25 HA ARG 4 HA ARG 4 39.165 35.545 16.133
26 1HB ARG 4 2HB ARG 4 40.601 35.822 18.332
27 2HB ARG 4 1HB ARG 4 40.676 37.054 17.076
28 1HG ARG 4 2HG ARG 4 39.842 38.628 18.471
29 2HG ARG 4 1HG ARG 4 38.481 37.596 18.912
30 1HD ARG 4 2HD ARG 4 41.161 36.896 20.061
31 2HD ARG 4 1HD ARG 4 40.303 38.295 20.736
32 HE ARG 4 HE ARG 4 38.923 35.646 20.405
33 1HH1 ARG 4 1HH2 ARG 4 39.804 38.420 22.346
34 2HH1 ARG 4 2HH2 ARG 4 38.843 37.928 23.690
35 1HH2 ARG 4 1HH1 ARG 4 37.676 35.036 22.181
36 2HH2 ARG 4 2HH1 ARG 4 37.645 36.022 23.601
37 H CYS 5 H CYS 5 37.555 33.842 16.344
38 HA CYS 5 HA CYS 5 37.665 32.442 18.928
39 1HB CYS 5 2HB CYS 5 35.875 33.954 19.422
40 2HB CYS 5 1HB CYS 5 35.151 33.727 17.831
41 HA PRO 6 HA PRO 6 37.355 29.541 15.447
42 1HB PRO 6 2HB PRO 6 38.814 27.553 16.632
43 2HB PRO 6 1HB PRO 6 39.563 28.934 15.809
44 1HG PRO 6 2HG PRO 6 39.234 28.407 18.705
45 2HG PRO 6 1HG PRO 6 40.536 29.245 17.850
46 1HD PRO 6 2HD PRO 6 38.487 30.477 19.252
47 2HD PRO 6 1HD PRO 6 39.497 31.258 18.017
48 H GLY 7 H GLY 7 36.136 27.520 15.267
49 1HA GLY 7 2HA GLY 7 34.717 25.774 16.033
50 2HA GLY 7 1HA GLY 7 35.027 26.293 17.690
51 H CYS 8 H CYS 8 34.178 28.901 17.743
52 HA CYS 8 HA CYS 8 31.276 28.555 17.636
53 1HB CYS 8 2HB CYS 8 31.251 30.603 18.829
54 2HB CYS 8 1HB CYS 8 32.726 29.805 19.362
55 H GLY 9 H GLY 9 33.682 30.302 15.716
56 1HA GLY 9 2HA GLY 9 31.673 31.759 14.166
57 2HA GLY 9 1HA GLY 9 33.401 31.713 13.831
58 H GLN 10 H GLN 10 34.086 29.279 13.226
59 HA GLN 10 HA GLN 10 32.062 28.056 11.445
60 1HB GLN 10 2HB GLN 10 34.575 29.477 10.724
61 2HB GLN 10 1HB GLN 10 34.218 28.004 9.825
62 1HG GLN 10 2HG GLN 10 31.988 28.899 9.248
63 2HG GLN 10 1HG GLN 10 32.354 30.376 10.138
64 1HE2 GLN 10 1HE2 GLN 10 31.790 30.790 7.489
65 2HE2 GLN 10 2HE2 GLN 10 33.201 31.089 6.595
66 H GLY 11 H GLY 11 35.575 27.740 12.112
67 1HA GLY 11 2HA GLY 11 36.665 25.906 13.203
68 2HA GLY 11 1HA GLY 11 35.138 25.021 13.188
69 H VAL 12 H VAL 12 34.344 24.499 10.884
70 HA VAL 12 HA VAL 12 36.630 23.925 9.047
71 HB VAL 12 HB VAL 12 34.479 21.963 9.919
72 1HG1 VAL 12 1HG1 VAL 12 35.992 20.324 8.748
73 2HG1 VAL 12 2HG1 VAL 12 36.916 21.694 8.134
74 3HG1 VAL 12 3HG1 VAL 12 35.229 21.488 7.663
75 1HG2 VAL 12 1HG2 VAL 12 35.922 22.156 11.773
76 2HG2 VAL 12 2HG2 VAL 12 37.345 22.386 10.756
77 3HG2 VAL 12 3HG2 VAL 12 36.591 20.796 10.871
78 H GLN 13 H GLN 13 33.401 22.584 8.558
79 HA GLN 13 HA GLN 13 32.389 24.811 6.990
80 1HB GLN 13 2HB GLN 13 34.329 23.681 5.698
81 2HB GLN 13 1HB GLN 13 33.206 22.344 5.454
82 1HG GLN 13 2HG GLN 13 32.373 23.466 3.687
83 2HG GLN 13 1HG GLN 13 31.734 24.657 4.817
84 1HE2 GLN 13 1HE2 GLN 13 35.101 23.937 3.705
85 2HE2 GLN 13 2HE2 GLN 13 35.438 25.534 3.241
86 H ALA 14 H ALA 14 31.460 22.842 9.073
87 HA ALA 14 HA ALA 14 28.912 22.104 7.760
88 1HB ALA 14 1HB ALA 14 30.794 20.099 9.057
89 2HB ALA 14 2HB ALA 14 30.427 20.207 7.334
90 3HB ALA 14 3HB ALA 14 29.168 19.735 8.475
91 H GLY 15 H GLY 15 27.228 22.261 9.235
92 1HA GLY 15 2HA GLY 15 27.986 22.683 12.100
93 2HA GLY 15 1HA GLY 15 26.552 23.372 11.337
94 H CYS 16 H CYS 16 28.019 20.156 11.900
95 HA CYS 16 HA CYS 16 25.395 18.835 11.896
96 1HB CYS 16 2HB CYS 16 28.143 17.846 12.726
97 2HB CYS 16 1HB CYS 16 26.744 16.834 12.343
98 HA PRO 17 HA PRO 17 24.911 19.920 16.242
99 1HB PRO 17 2HB PRO 17 22.356 18.946 16.481
100 2HB PRO 17 1HB PRO 17 22.731 20.530 15.769
101 1HG PRO 17 2HG PRO 17 22.107 17.946 14.426
102 2HG PRO 17 1HG PRO 17 21.608 19.590 13.994
103 1HD PRO 17 2HD PRO 17 23.616 18.258 12.725
104 2HD PRO 17 1HD PRO 17 23.554 20.031 12.875
105 H GLY 18 H GLY 18 26.486 18.300 16.909
106 1HA GLY 18 2HA GLY 18 26.566 16.516 18.619
107 2HA GLY 18 1HA GLY 18 25.219 15.733 17.790
108 H GLY 19 H GLY 19 26.755 16.532 15.167
109 1HA GLY 19 2HA GLY 19 28.945 15.675 14.273
110 2HA GLY 19 1HA GLY 19 28.687 14.243 15.280
111 H CYS 20 H CYS 20 28.790 14.787 12.228
112 HA CYS 20 HA CYS 20 26.256 13.312 11.594
113 1HB CYS 20 2HB CYS 20 26.500 14.481 9.332
114 2HB CYS 20 1HB CYS 20 26.060 15.510 10.699
115 H VAL 21 H VAL 21 29.638 12.963 11.642
116 HA VAL 21 HA VAL 21 29.480 10.564 9.947
117 HB VAL 21 HB VAL 21 29.720 12.514 8.377
118 1HG1 VAL 21 1HG1 VAL 21 32.354 12.894 9.836
119 2HG1 VAL 21 2HG1 VAL 21 30.986 14.007 9.845
120 3HG1 VAL 21 3HG1 VAL 21 31.885 13.725 8.355
121 1HG2 VAL 21 1HG2 VAL 21 31.336 11.473 7.002
122 2HG2 VAL 21 2HG2 VAL 21 30.775 10.161 8.040
123 3HG2 VAL 21 3HG2 VAL 21 32.308 10.961 8.382
124 H GLU 22 H GLU 22 30.145 11.003 12.736
125 HA GLU 22 HA GLU 22 33.071 10.687 12.882
126 1HB GLU 22 2HB GLU 22 30.899 11.030 14.973
127 2HB GLU 22 1HB GLU 22 32.628 11.014 15.301
128 1HG GLU 22 2HG GLU 22 31.682 12.914 13.194
129 2HG GLU 22 1HG GLU 22 31.292 13.298 14.867
130 H GLU 23 H GLU 23 31.798 8.483 11.680
131 HA GLU 23 HA GLU 23 31.418 6.154 11.877
132 1HB GLU 23 2HB GLU 23 33.900 7.048 13.062
133 2HB GLU 23 1HB GLU 23 33.349 5.570 13.849
134 1HG GLU 23 2HG GLU 23 33.168 5.655 10.873
135 2HG GLU 23 1HG GLU 23 34.782 5.526 11.573
136 H GLU 24 H GLU 24 29.281 6.858 13.101
137 HA GLU 24 HA GLU 24 29.253 6.381 15.983
138 1HB GLU 24 2HB GLU 24 27.718 7.767 14.173
139 2HB GLU 24 1HB GLU 24 26.722 6.340 14.456
140 1HG GLU 24 2HG GLU 24 26.379 6.846 16.682
141 2HG GLU 24 1HG GLU 24 27.908 7.717 16.832
142 H ASP 25 H ASP 25 27.698 4.758 13.210
143 HA ASP 25 HA ASP 25 28.326 2.092 14.253
144 1HB ASP 25 2HB ASP 25 26.161 3.223 15.374
145 2HB ASP 25 1HB ASP 25 25.405 2.666 13.884
146 H GLY 26 H GLY 26 27.082 0.458 12.711
147 1HA GLY 26 2HA GLY 26 26.735 -0.316 10.525
148 2HA GLY 26 1HA GLY 26 26.141 1.302 10.156
149 H GLY 27 H GLY 27 29.395 0.428 11.288
150 1HA GLY 27 2HA GLY 27 30.734 2.112 9.439
151 2HA GLY 27 1HA GLY 27 31.493 0.763 10.282
152 H SER 28 H SER 28 29.587 -1.206 9.085
153 HA SER 28 HA SER 28 31.058 -1.740 6.608
154 1HB SER 28 2HB SER 28 28.562 -3.167 7.509
155 2HB SER 28 1HB SER 28 30.009 -3.843 6.774
156 HG SER 28 HG SER 28 29.407 -3.676 9.341
157 HA PRO 29 HA PRO 29 28.206 0.076 3.770
158 1HB PRO 29 2HB PRO 29 28.080 -1.784 1.755
159 2HB PRO 29 1HB PRO 29 29.492 -0.740 2.037
160 1HG PRO 29 2HG PRO 29 29.061 -3.588 2.805
161 2HG PRO 29 1HG PRO 29 30.523 -2.799 2.192
162 1HD PRO 29 2HD PRO 29 30.125 -3.385 4.818
163 2HD PRO 29 1HD PRO 29 31.129 -2.027 4.263
164 H ALA 30 H ALA 30 26.548 -0.530 5.633
165 HA ALA 30 HA ALA 30 24.623 -2.619 4.785
166 1HB ALA 30 1HB ALA 30 23.662 -2.026 7.086
167 2HB ALA 30 2HB ALA 30 25.072 -0.988 7.287
168 3HB ALA 30 3HB ALA 30 25.281 -2.728 7.082
169 H GLU 31 H GLU 31 24.782 0.879 5.489
170 HA GLU 31 HA GLU 31 21.981 1.340 4.856
171 1HB GLU 31 2HB GLU 31 23.760 2.587 6.383
172 2HB GLU 31 1HB GLU 31 24.086 3.480 4.899
173 1HG GLU 31 2HG GLU 31 21.971 4.441 4.852
174 2HG GLU 31 1HG GLU 31 21.237 3.112 5.747
175 H GLY 32 H GLY 32 24.765 0.873 2.907
176 1HA GLY 32 2HA GLY 32 24.106 2.734 0.782
177 2HA GLY 32 1HA GLY 32 25.244 1.395 0.654
178 H CYS 33 H CYS 33 23.407 -0.679 1.394
179 HA CYS 33 HA CYS 33 21.464 -0.552 -0.883
180 1HB CYS 33 2HB CYS 33 22.049 -3.151 -0.863
181 2HB CYS 33 1HB CYS 33 23.043 -2.003 -1.752
182 H ALA 34 H ALA 34 19.701 -0.133 0.483
183 HA ALA 34 HA ALA 34 18.992 -2.339 2.401
184 1HB ALA 34 1HB ALA 34 18.102 -0.672 3.852
185 2HB ALA 34 2HB ALA 34 18.094 0.547 2.580
186 3HB ALA 34 3HB ALA 34 19.622 0.016 3.282
187 H GLU 35 H GLU 35 18.363 -2.186 -0.462
188 HA GLU 35 HA GLU 35 15.584 -1.304 -0.773
189 1HB GLU 35 2HB GLU 35 17.296 -3.115 -2.514
190 2HB GLU 35 1HB GLU 35 15.880 -2.202 -3.030
191 1HG GLU 35 2HG GLU 35 17.286 -0.535 -3.598
192 2HG GLU 35 1HG GLU 35 17.561 -0.282 -1.877
193 H ALA 36 H ALA 36 14.937 -3.792 -2.377
194 HA ALA 36 HA ALA 36 13.612 -5.250 -0.225
195 1HB ALA 36 1HB ALA 36 12.672 -4.809 -2.513
196 2HB ALA 36 2HB ALA 36 12.652 -6.516 -2.077
197 3HB ALA 36 3HB ALA 36 13.884 -5.905 -3.183
198 H GLU 37 H GLU 37 16.561 -5.635 -2.094
199 HA GLU 37 HA GLU 37 16.931 -8.388 -1.038
200 1HB GLU 37 2HB GLU 37 17.316 -7.416 -3.513
201 2HB GLU 37 1HB GLU 37 18.921 -7.070 -2.821
202 1HG GLU 37 2HG GLU 37 19.020 -9.487 -2.051
203 2HG GLU 37 1HG GLU 37 17.536 -9.770 -2.963
204 H GLY 38 H GLY 38 18.464 -5.182 -1.043
205 1HA GLY 38 2HA GLY 38 19.775 -4.210 0.668
206 2HA GLY 38 1HA GLY 38 19.686 -5.740 1.557
207 H CYS 39 H CYS 39 21.629 -6.742 1.723
208 HA CYS 39 HA CYS 39 23.408 -6.900 -0.650
209 1HB CYS 39 2HB CYS 39 23.781 -5.170 1.713
210 2HB CYS 39 1HB CYS 39 25.187 -6.155 1.321
211 H LEU 40 H LEU 40 21.948 -8.967 0.691
212 HA LEU 40 HA LEU 40 23.850 -10.329 2.483
213 1HB LEU 40 2HB LEU 40 21.027 -10.842 1.529
214 2HB LEU 40 1HB LEU 40 21.896 -11.990 2.548
215 HG LEU 40 HG LEU 40 21.407 -9.078 3.255
216 1HD1 LEU 40 1HD1 LEU 40 19.313 -10.292 3.310
217 2HD1 LEU 40 2HD1 LEU 40 19.871 -10.067 4.967
218 3HD1 LEU 40 3HD1 LEU 40 20.065 -11.632 4.178
219 1HD2 LEU 40 1HD2 LEU 40 23.047 -9.442 4.758
220 2HD2 LEU 40 2HD2 LEU 40 23.156 -11.141 4.302
221 3HD2 LEU 40 3HD2 LEU 40 21.993 -10.632 5.525
222 H ARG 41 H ARG 41 25.026 -12.144 1.880
223 HA ARG 41 HA ARG 41 24.757 -13.074 -0.938
224 1HB ARG 41 2HB ARG 41 27.158 -12.963 0.914
225 2HB ARG 41 1HB ARG 41 27.189 -13.559 -0.749
226 1HG ARG 41 2HG ARG 41 26.346 -10.757 0.053
227 2HG ARG 41 1HG ARG 41 27.950 -11.180 -0.543
228 1HD ARG 41 2HD ARG 41 26.976 -11.964 -2.669
229 2HD ARG 41 1HD ARG 41 25.349 -11.601 -2.063
230 HE ARG 41 HE ARG 41 25.779 -9.289 -2.387
231 1HH1 ARG 41 1HH2 ARG 41 28.728 -11.137 -2.499
232 2HH1 ARG 41 2HH2 ARG 41 29.678 -9.818 -3.078
233 1HH2 ARG 41 1HH1 ARG 41 27.031 -7.575 -3.157
234 2HH2 ARG 41 2HH1 ARG 41 28.722 -7.807 -3.458
235 H ARG 42 H ARG 42 24.960 -15.394 -1.277
236 HA ARG 42 HA ARG 42 24.063 -16.984 1.024
237 1HB ARG 42 2HB ARG 42 23.625 -16.940 -1.744
238 2HB ARG 42 1HB ARG 42 24.527 -18.430 -1.464
239 1HG ARG 42 2HG ARG 42 22.783 -18.610 0.580
240 2HG ARG 42 1HG ARG 42 21.809 -17.645 -0.529
241 1HD ARG 42 2HD ARG 42 21.302 -19.932 -1.037
242 2HD ARG 42 1HD ARG 42 22.403 -19.394 -2.324
243 HE ARG 42 HE ARG 42 24.118 -20.330 -0.348
244 1HH1 ARG 42 1HH2 ARG 42 21.389 -21.622 -2.086
245 2HH1 ARG 42 2HH2 ARG 42 21.928 -23.256 -1.963
246 1HH2 ARG 42 1HH1 ARG 42 24.826 -22.467 -0.195
247 2HH2 ARG 42 2HH1 ARG 42 23.877 -23.739 -0.898
248 H GLU 43 H GLU 43 26.801 -16.124 1.295
249 HA GLU 43 HA GLU 43 28.454 -18.465 0.610
250 1HB GLU 43 2HB GLU 43 28.852 -15.650 1.518
251 2HB GLU 43 1HB GLU 43 30.109 -16.819 1.918
252 1HG GLU 43 2HG GLU 43 29.974 -17.508 -0.576
253 2HG GLU 43 1HG GLU 43 29.144 -15.964 -0.806
254 H GLY 44 H GLY 44 27.134 -16.819 3.452
255 1HA GLY 44 2HA GLY 44 28.453 -18.654 5.330
256 2HA GLY 44 1HA GLY 44 27.340 -17.353 5.753
257 H GLN 45 HN GLN 45 27.337 -20.513 4.109
258 HA GLN 45 HA GLN 45 24.507 -20.920 5.014
259 1HB GLN 45 2HB GLN 45 24.472 -22.630 3.260
260 2HB GLN 45 1HB GLN 45 25.117 -21.134 2.590
261 1HG GLN 45 2HG GLN 45 27.394 -22.389 3.539
262 2HG GLN 45 1HG GLN 45 26.424 -23.741 2.953
263 1HE2 GLN 45 1HE2 GLN 45 28.892 -22.165 1.791
264 2HE2 GLN 45 2HE2 GLN 45 28.427 -21.872 0.184
Start of MODEL 14
1 1H ALA 1 1HT ALA 1 50.537 -32.594 -21.046
2 2H ALA 1 2HT ALA 1 49.515 -31.276 -21.362
3 3H ALA 1 3HT ALA 1 50.730 -31.151 -20.178
4 HA ALA 1 HA ALA 1 51.236 -31.528 -23.087
5 1HB ALA 1 1HB ALA 1 50.152 -29.360 -22.374
6 2HB ALA 1 2HB ALA 1 51.761 -29.153 -23.063
7 3HB ALA 1 3HB ALA 1 51.534 -29.080 -21.315
8 H LEU 2 H LEU 2 53.358 -32.046 -23.502
9 HA LEU 2 HA LEU 2 55.594 -32.686 -23.097
10 1HB LEU 2 2HB LEU 2 55.104 -30.103 -21.658
11 2HB LEU 2 1HB LEU 2 56.667 -30.894 -21.463
12 HG LEU 2 HG LEU 2 56.019 -30.993 -24.236
13 1HD1 LEU 2 1HD1 LEU 2 55.281 -28.918 -24.834
14 2HD1 LEU 2 2HD1 LEU 2 56.147 -28.121 -23.521
15 3HD1 LEU 2 3HD1 LEU 2 54.602 -28.910 -23.205
16 1HD2 LEU 2 1HD2 LEU 2 58.101 -29.808 -24.455
17 2HD2 LEU 2 2HD2 LEU 2 58.265 -30.862 -23.050
18 3HD2 LEU 2 3HD2 LEU 2 57.958 -29.140 -22.828
19 H ALA 3 H ALA 3 53.599 -34.004 -21.302
20 HA ALA 3 HA ALA 3 55.466 -35.098 -19.367
21 1HB ALA 3 1HB ALA 3 54.220 -32.722 -18.664
22 2HB ALA 3 2HB ALA 3 54.926 -33.871 -17.528
23 3HB ALA 3 3HB ALA 3 53.201 -33.938 -17.896
24 H ARG 4 H ARG 4 53.495 -36.045 -21.443
25 HA ARG 4 HA ARG 4 51.749 -37.635 -21.696
26 1HB ARG 4 2HB ARG 4 53.647 -38.485 -19.542
27 2HB ARG 4 1HB ARG 4 52.214 -39.477 -19.811
28 1HG ARG 4 2HG ARG 4 53.133 -38.980 -22.390
29 2HG ARG 4 1HG ARG 4 54.618 -39.194 -21.463
30 1HD ARG 4 2HD ARG 4 54.170 -41.407 -20.985
31 2HD ARG 4 1HD ARG 4 52.416 -41.157 -20.954
32 HE ARG 4 HE ARG 4 54.044 -41.692 -23.345
33 1HH1 ARG 4 1HH2 ARG 4 51.082 -40.393 -22.067
34 2HH1 ARG 4 2HH2 ARG 4 50.208 -40.619 -23.537
35 1HH2 ARG 4 1HH1 ARG 4 52.893 -41.978 -25.261
36 2HH2 ARG 4 2HH1 ARG 4 51.227 -41.514 -25.344
37 H CYS 5 H CYS 5 51.026 -35.299 -19.953
38 HA CYS 5 HA CYS 5 48.966 -36.661 -18.249
39 1HB CYS 5 2HB CYS 5 50.596 -35.651 -16.815
40 2HB CYS 5 1HB CYS 5 50.669 -34.196 -17.808
41 HA PRO 6 HA PRO 6 46.488 -34.283 -21.145
42 1HB PRO 6 2HB PRO 6 44.113 -35.490 -20.526
43 2HB PRO 6 1HB PRO 6 45.321 -36.213 -21.605
44 1HG PRO 6 2HG PRO 6 44.686 -36.847 -18.783
45 2HG PRO 6 1HG PRO 6 45.241 -37.908 -20.086
46 1HD PRO 6 2HD PRO 6 46.838 -36.914 -18.046
47 2HD PRO 6 1HD PRO 6 47.428 -37.553 -19.599
48 H GLY 7 H GLY 7 44.958 -35.046 -17.968
49 1HA GLY 7 2HA GLY 7 43.643 -32.451 -17.857
50 2HA GLY 7 1HA GLY 7 43.665 -33.653 -16.565
51 H CYS 8 H CYS 8 46.168 -31.668 -18.222
52 HA CYS 8 HA CYS 8 47.242 -31.003 -15.495
53 1HB CYS 8 2HB CYS 8 48.396 -31.811 -18.076
54 2HB CYS 8 1HB CYS 8 49.208 -30.428 -17.344
55 H GLY 9 H GLY 9 45.213 -29.637 -17.593
56 1HA GLY 9 2HA GLY 9 46.480 -26.926 -17.424
57 2HA GLY 9 1HA GLY 9 45.369 -27.401 -18.717
58 H GLN 10 H GLN 10 44.881 -25.164 -17.001
59 HA GLN 10 HA GLN 10 43.150 -24.237 -15.678
60 1HB GLN 10 2HB GLN 10 42.054 -26.562 -17.175
61 2HB GLN 10 1HB GLN 10 41.063 -25.987 -15.837
62 1HG GLN 10 2HG GLN 10 41.631 -23.611 -16.936
63 2HG GLN 10 1HG GLN 10 41.804 -24.610 -18.380
64 1HE2 GLN 10 1HE2 GLN 10 39.851 -24.573 -19.524
65 2HE2 GLN 10 2HE2 GLN 10 38.312 -24.660 -18.816
66 H GLY 11 H GLY 11 45.111 -26.119 -14.368
67 1HA GLY 11 2HA GLY 11 43.597 -27.720 -12.454
68 2HA GLY 11 1HA GLY 11 45.331 -27.403 -12.399
69 H VAL 12 H VAL 12 42.437 -25.288 -12.239
70 HA VAL 12 HA VAL 12 43.727 -23.856 -9.972
71 HB VAL 12 HB VAL 12 42.896 -22.726 -12.092
72 1HG1 VAL 12 1HG1 VAL 12 40.155 -23.279 -10.916
73 2HG1 VAL 12 2HG1 VAL 12 40.825 -24.166 -12.284
74 3HG1 VAL 12 3HG1 VAL 12 40.514 -22.435 -12.419
75 1HG2 VAL 12 1HG2 VAL 12 41.420 -21.823 -9.606
76 2HG2 VAL 12 2HG2 VAL 12 41.996 -20.817 -10.935
77 3HG2 VAL 12 3HG2 VAL 12 43.151 -21.577 -9.841
78 H GLN 13 H GLN 13 42.554 -26.498 -9.523
79 HA GLN 13 HA GLN 13 41.147 -27.600 -7.982
80 1HB GLN 13 2HB GLN 13 42.243 -25.425 -6.821
81 2HB GLN 13 1HB GLN 13 40.537 -25.004 -6.663
82 1HG GLN 13 2HG GLN 13 40.168 -27.319 -5.692
83 2HG GLN 13 1HG GLN 13 41.920 -27.495 -5.644
84 1HE2 GLN 13 1HE2 GLN 13 41.663 -24.274 -5.068
85 2HE2 GLN 13 2HE2 GLN 13 41.471 -24.285 -3.385
86 H ALA 14 H ALA 14 39.905 -25.847 -10.373
87 HA ALA 14 HA ALA 14 37.733 -25.271 -11.129
88 1HB ALA 14 1HB ALA 14 37.135 -27.620 -9.301
89 2HB ALA 14 2HB ALA 14 37.743 -27.753 -10.952
90 3HB ALA 14 3HB ALA 14 36.140 -27.079 -10.651
91 H GLY 15 H GLY 15 38.612 -23.809 -8.729
92 1HA GLY 15 2HA GLY 15 36.164 -23.654 -7.061
93 2HA GLY 15 1HA GLY 15 37.700 -22.868 -6.705
94 H CYS 16 H CYS 16 38.238 -21.439 -8.982
95 HA CYS 16 HA CYS 16 35.910 -19.549 -9.111
96 1HB CYS 16 2HB CYS 16 38.913 -19.195 -9.350
97 2HB CYS 16 1HB CYS 16 37.761 -17.901 -9.677
98 HA PRO 17 HA PRO 17 36.448 -21.226 -13.387
99 1HB PRO 17 2HB PRO 17 33.780 -21.551 -13.903
100 2HB PRO 17 1HB PRO 17 34.772 -22.795 -13.120
101 1HG PRO 17 2HG PRO 17 32.829 -20.897 -11.932
102 2HG PRO 17 1HG PRO 17 33.208 -22.561 -11.469
103 1HD PRO 17 2HD PRO 17 34.119 -20.317 -10.151
104 2HD PRO 17 1HD PRO 17 34.890 -21.915 -10.081
105 H GLY 18 H GLY 18 37.078 -19.217 -14.265
106 1HA GLY 18 2HA GLY 18 36.229 -17.599 -15.969
107 2HA GLY 18 1HA GLY 18 34.862 -17.301 -14.892
108 H GLY 19 H GLY 19 36.372 -17.158 -12.435
109 1HA GLY 19 2HA GLY 19 38.573 -15.370 -12.525
110 2HA GLY 19 1HA GLY 19 37.090 -14.412 -12.418
111 H CYS 20 H CYS 20 39.280 -14.967 -10.421
112 HA CYS 20 HA CYS 20 37.669 -16.233 -8.237
113 1HB CYS 20 2HB CYS 20 40.174 -16.780 -9.134
114 2HB CYS 20 1HB CYS 20 40.554 -15.577 -7.903
115 H VAL 21 H VAL 21 37.024 -13.574 -8.985
116 HA VAL 21 HA VAL 21 37.722 -12.117 -6.488
117 HB VAL 21 HB VAL 21 37.939 -10.081 -8.213
118 1HG1 VAL 21 1HG1 VAL 21 39.706 -10.613 -6.680
119 2HG1 VAL 21 2HG1 VAL 21 40.432 -10.560 -8.285
120 3HG1 VAL 21 3HG1 VAL 21 40.074 -12.113 -7.530
121 1HG2 VAL 21 1HG2 VAL 21 37.481 -11.674 -10.152
122 2HG2 VAL 21 2HG2 VAL 21 39.073 -12.365 -9.838
123 3HG2 VAL 21 3HG2 VAL 21 38.927 -10.674 -10.311
124 H GLU 22 H GLU 22 35.312 -13.309 -6.877
125 HA GLU 22 HA GLU 22 33.379 -11.635 -8.246
126 1HB GLU 22 2HB GLU 22 33.081 -13.871 -6.221
127 2HB GLU 22 1HB GLU 22 31.821 -13.287 -7.301
128 1HG GLU 22 2HG GLU 22 32.523 -14.854 -8.772
129 2HG GLU 22 1HG GLU 22 33.954 -13.854 -9.016
130 H GLU 23 H GLU 23 34.542 -11.917 -4.912
131 HA GLU 23 HA GLU 23 33.201 -9.415 -4.203
132 1HB GLU 23 2HB GLU 23 31.538 -11.396 -4.065
133 2HB GLU 23 1HB GLU 23 32.475 -11.919 -2.669
134 1HG GLU 23 2HG GLU 23 32.126 -9.479 -1.813
135 2HG GLU 23 1HG GLU 23 30.816 -9.427 -2.996
136 H GLU 24 H GLU 24 35.034 -8.483 -3.270
137 HA GLU 24 HA GLU 24 36.825 -10.100 -1.582
138 1HB GLU 24 2HB GLU 24 36.835 -7.402 -2.886
139 2HB GLU 24 1HB GLU 24 37.881 -7.643 -1.488
140 1HG GLU 24 2HG GLU 24 38.080 -9.907 -3.279
141 2HG GLU 24 1HG GLU 24 38.411 -8.410 -4.150
142 H ASP 25 H ASP 25 37.285 -9.471 0.642
143 HA ASP 25 HA ASP 25 34.916 -8.615 2.130
144 1HB ASP 25 2HB ASP 25 36.300 -9.192 4.061
145 2HB ASP 25 1HB ASP 25 36.499 -10.429 2.825
146 H GLY 26 H GLY 26 38.052 -7.200 1.277
147 1HA GLY 26 2HA GLY 26 38.101 -4.989 3.025
148 2HA GLY 26 1HA GLY 26 38.813 -4.986 1.411
149 H GLY 27 H GLY 27 36.567 -5.216 -0.210
150 1HA GLY 27 2HA GLY 27 35.272 -2.579 0.276
151 2HA GLY 27 1HA GLY 27 35.343 -3.416 -1.276
152 H SER 28 H SER 28 34.091 -4.101 2.022
153 HA SER 28 HA SER 28 31.666 -5.306 0.722
154 1HB SER 28 2HB SER 28 33.352 -5.910 3.112
155 2HB SER 28 1HB SER 28 31.629 -6.248 3.250
156 HG SER 28 HG SER 28 33.418 -7.185 1.235
157 HA PRO 29 HA PRO 29 30.032 -1.560 2.801
158 1HB PRO 29 2HB PRO 29 28.142 -1.008 0.907
159 2HB PRO 29 1HB PRO 29 29.830 -0.485 0.760
160 1HG PRO 29 2HG PRO 29 28.412 -2.705 -0.590
161 2HG PRO 29 1HG PRO 29 29.733 -1.684 -1.175
162 1HD PRO 29 2HD PRO 29 29.998 -4.286 -0.229
163 2HD PRO 29 1HD PRO 29 31.317 -3.109 -0.394
164 H ALA 30 H ALA 30 28.364 -1.724 4.301
165 HA ALA 30 HA ALA 30 26.203 -3.706 3.781
166 1HB ALA 30 1HB ALA 30 28.084 -4.323 5.428
167 2HB ALA 30 2HB ALA 30 26.433 -4.473 6.030
168 3HB ALA 30 3HB ALA 30 27.410 -3.078 6.483
169 H GLU 31 H GLU 31 25.581 -1.206 3.026
170 HA GLU 31 HA GLU 31 23.562 -0.364 4.964
171 1HB GLU 31 2HB GLU 31 25.963 0.676 5.433
172 2HB GLU 31 1HB GLU 31 25.491 1.770 4.133
173 1HG GLU 31 2HG GLU 31 23.282 2.064 5.451
174 2HG GLU 31 1HG GLU 31 24.158 1.355 6.808
175 H GLY 32 H GLY 32 25.326 0.665 2.045
176 1HA GLY 32 2HA GLY 32 23.260 2.219 0.888
177 2HA GLY 32 1HA GLY 32 24.557 1.454 -0.021
178 H CYS 33 H CYS 33 23.636 -1.291 0.939
179 HA CYS 33 HA CYS 33 21.728 -1.747 -1.236
180 1HB CYS 33 2HB CYS 33 21.988 -4.115 -0.492
181 2HB CYS 33 1HB CYS 33 23.541 -3.321 -0.724
182 H ALA 34 H ALA 34 20.139 -0.167 -0.028
183 HA ALA 34 HA ALA 34 18.655 -1.466 2.193
184 1HB ALA 34 1HB ALA 34 17.545 0.706 2.312
185 2HB ALA 34 2HB ALA 34 18.225 1.173 0.754
186 3HB ALA 34 3HB ALA 34 19.282 0.966 2.151
187 H GLU 35 H GLU 35 18.572 -2.683 -0.525
188 HA GLU 35 HA GLU 35 15.804 -2.099 -1.442
189 1HB GLU 35 2HB GLU 35 18.271 -3.444 -2.492
190 2HB GLU 35 1HB GLU 35 16.710 -3.891 -3.187
191 1HG GLU 35 2HG GLU 35 17.667 -2.044 -4.491
192 2HG GLU 35 1HG GLU 35 16.245 -1.469 -3.628
193 H ALA 36 H ALA 36 14.730 -4.348 -2.250
194 HA ALA 36 HA ALA 36 14.384 -5.965 0.196
195 1HB ALA 36 1HB ALA 36 13.047 -6.004 -2.529
196 2HB ALA 36 2HB ALA 36 12.464 -5.139 -1.107
197 3HB ALA 36 3HB ALA 36 12.494 -6.901 -1.116
198 H GLU 37 H GLU 37 16.925 -6.232 -1.462
199 HA GLU 37 HA GLU 37 16.766 -8.828 -2.774
200 1HB GLU 37 2HB GLU 37 19.142 -8.447 -3.118
201 2HB GLU 37 1HB GLU 37 18.310 -6.905 -3.342
202 1HG GLU 37 2HG GLU 37 18.832 -6.394 -0.900
203 2HG GLU 37 1HG GLU 37 19.864 -7.822 -0.901
204 H GLY 38 H GLY 38 17.235 -7.748 0.493
205 1HA GLY 38 2HA GLY 38 16.988 -9.621 2.195
206 2HA GLY 38 1HA GLY 38 18.235 -10.461 1.271
207 H CYS 39 H CYS 39 18.850 -7.106 1.365
208 HA CYS 39 HA CYS 39 21.189 -7.499 3.081
209 1HB CYS 39 2HB CYS 39 20.336 -5.746 1.037
210 2HB CYS 39 1HB CYS 39 20.496 -4.737 2.473
211 H LEU 40 H LEU 40 17.917 -6.236 3.513
212 HA LEU 40 HA LEU 40 18.570 -4.903 6.042
213 1HB LEU 40 2HB LEU 40 16.719 -4.512 4.086
214 2HB LEU 40 1HB LEU 40 15.754 -5.411 5.257
215 HG LEU 40 HG LEU 40 17.424 -2.985 5.969
216 1HD1 LEU 40 1HD1 LEU 40 14.448 -3.196 5.426
217 2HD1 LEU 40 2HD1 LEU 40 15.622 -2.366 4.404
218 3HD1 LEU 40 3HD1 LEU 40 15.282 -1.764 6.025
219 1HD2 LEU 40 1HD2 LEU 40 16.226 -3.051 8.053
220 2HD2 LEU 40 2HD2 LEU 40 16.832 -4.682 7.764
221 3HD2 LEU 40 3HD2 LEU 40 15.136 -4.303 7.455
222 H ARG 41 H ARG 41 16.022 -7.330 5.306
223 HA ARG 41 HA ARG 41 15.173 -9.116 6.593
224 1HB ARG 41 2HB ARG 41 17.795 -9.503 6.044
225 2HB ARG 41 1HB ARG 41 17.860 -9.514 7.810
226 1HG ARG 41 2HG ARG 41 15.613 -11.044 7.247
227 2HG ARG 41 1HG ARG 41 16.748 -11.516 5.982
228 1HD ARG 41 2HD ARG 41 18.225 -11.353 8.429
229 2HD ARG 41 1HD ARG 41 16.761 -12.310 8.741
230 HE ARG 41 HE ARG 41 18.216 -12.925 6.239
231 1HH1 ARG 41 1HH2 ARG 41 17.604 -13.728 9.573
232 2HH1 ARG 41 2HH2 ARG 41 18.080 -15.377 9.381
233 1HH2 ARG 41 1HH1 ARG 41 18.855 -15.076 6.022
234 2HH2 ARG 41 2HH1 ARG 41 18.789 -16.138 7.389
235 H ARG 42 H ARG 42 14.220 -7.123 7.893
236 HA ARG 42 HA ARG 42 15.270 -7.119 10.675
237 1HB ARG 42 2HB ARG 42 14.216 -4.939 10.866
238 2HB ARG 42 1HB ARG 42 15.161 -4.966 9.379
239 1HG ARG 42 2HG ARG 42 13.054 -5.561 8.135
240 2HG ARG 42 1HG ARG 42 12.163 -5.348 9.640
241 1HD ARG 42 2HD ARG 42 13.950 -3.103 8.766
242 2HD ARG 42 1HD ARG 42 12.410 -3.333 7.914
243 HE ARG 42 HE ARG 42 12.370 -3.336 10.904
244 1HH1 ARG 42 1HH2 ARG 42 11.655 -1.739 7.877
245 2HH1 ARG 42 2HH2 ARG 42 10.509 -0.665 8.591
246 1HH2 ARG 42 1HH1 ARG 42 10.908 -1.906 11.816
247 2HH2 ARG 42 2HH1 ARG 42 10.085 -0.754 10.814
248 H GLU 43 H GLU 43 13.212 -8.998 9.205
249 HA GLU 43 HA GLU 43 11.141 -10.008 9.703
250 1HB GLU 43 2HB GLU 43 12.232 -9.232 12.429
251 2HB GLU 43 1HB GLU 43 10.948 -10.412 12.171
252 1HG GLU 43 2HG GLU 43 12.524 -11.706 10.692
253 2HG GLU 43 1HG GLU 43 13.808 -10.597 11.178
254 H GLY 44 H GLY 44 10.036 -8.681 12.503
255 1HA GLY 44 2HA GLY 44 8.462 -6.602 11.030
256 2HA GLY 44 1HA GLY 44 7.819 -7.550 12.374
257 H GLN 45 HN GLN 45 11.113 -6.363 12.418
258 HA GLN 45 HA GLN 45 10.350 -4.588 14.709
259 1HB GLN 45 2HB GLN 45 12.522 -6.449 14.074
260 2HB GLN 45 1HB GLN 45 13.122 -4.896 14.649
261 1HG GLN 45 2HG GLN 45 11.105 -5.316 16.427
262 2HG GLN 45 1HG GLN 45 11.603 -6.981 16.108
263 1HE2 GLN 45 1HE2 GLN 45 14.149 -7.271 16.182
264 2HE2 GLN 45 2HE2 GLN 45 14.949 -6.426 17.415
Start of MODEL 15
1 1H ALA 1 1HT ALA 1 62.601 19.764 9.946
2 2H ALA 1 2HT ALA 1 63.527 20.761 10.960
3 3H ALA 1 3HT ALA 1 62.561 19.536 11.623
4 HA ALA 1 HA ALA 1 63.970 17.827 10.848
5 1HB ALA 1 1HB ALA 1 65.662 18.324 9.135
6 2HB ALA 1 2HB ALA 1 65.265 20.041 9.214
7 3HB ALA 1 3HB ALA 1 64.085 18.891 8.586
8 H LEU 2 H LEU 2 65.088 17.489 12.744
9 HA LEU 2 HA LEU 2 66.528 19.637 14.082
10 1HB LEU 2 2HB LEU 2 66.130 16.678 14.578
11 2HB LEU 2 1HB LEU 2 67.045 17.714 15.673
12 HG LEU 2 HG LEU 2 64.252 18.493 14.834
13 1HD1 LEU 2 1HD1 LEU 2 63.931 16.264 15.682
14 2HD1 LEU 2 2HD1 LEU 2 63.493 17.376 16.978
15 3HD1 LEU 2 3HD1 LEU 2 65.049 16.547 17.017
16 1HD2 LEU 2 1HD2 LEU 2 64.346 19.538 17.133
17 2HD2 LEU 2 2HD2 LEU 2 65.532 20.183 15.999
18 3HD2 LEU 2 3HD2 LEU 2 66.029 19.025 17.234
19 H ALA 3 H ALA 3 68.081 20.044 12.269
20 HA ALA 3 HA ALA 3 70.454 18.277 12.519
21 1HB ALA 3 1HB ALA 3 69.422 19.301 9.865
22 2HB ALA 3 2HB ALA 3 68.941 17.735 10.514
23 3HB ALA 3 3HB ALA 3 70.635 18.046 10.146
24 H ARG 4 H ARG 4 72.388 19.426 11.347
25 HA ARG 4 HA ARG 4 72.651 22.094 12.435
26 1HB ARG 4 2HB ARG 4 74.336 20.271 10.719
27 2HB ARG 4 1HB ARG 4 74.884 21.892 11.146
28 1HG ARG 4 2HG ARG 4 73.851 20.294 13.415
29 2HG ARG 4 1HG ARG 4 75.330 19.675 12.684
30 1HD ARG 4 2HD ARG 4 76.302 21.183 14.142
31 2HD ARG 4 1HD ARG 4 75.968 22.316 12.813
32 HE ARG 4 HE ARG 4 73.632 22.019 14.492
33 1HH1 ARG 4 1HH2 ARG 4 76.786 23.490 14.351
34 2HH1 ARG 4 2HH2 ARG 4 76.358 24.793 15.401
35 1HH2 ARG 4 1HH1 ARG 4 73.082 23.731 15.863
36 2HH2 ARG 4 2HH1 ARG 4 74.266 24.932 16.248
37 H CYS 5 H CYS 5 71.640 20.881 9.303
38 HA CYS 5 HA CYS 5 71.677 23.692 8.282
39 1HB CYS 5 2HB CYS 5 72.287 22.751 6.093
40 2HB CYS 5 1HB CYS 5 73.462 22.263 7.308
41 HA PRO 6 HA PRO 6 67.403 22.877 7.546
42 1HB PRO 6 2HB PRO 6 66.854 24.968 5.868
43 2HB PRO 6 1HB PRO 6 67.105 25.169 7.612
44 1HG PRO 6 2HG PRO 6 68.926 25.768 5.356
45 2HG PRO 6 1HG PRO 6 68.768 26.569 6.926
46 1HD PRO 6 2HD PRO 6 70.763 24.766 6.224
47 2HD PRO 6 1HD PRO 6 70.324 25.233 7.885
48 H GLY 7 H GLY 7 66.670 21.268 6.206
49 1HA GLY 7 2HA GLY 7 65.904 20.474 4.056
50 2HA GLY 7 1HA GLY 7 67.073 21.532 3.275
51 H CYS 8 H CYS 8 68.426 19.790 5.914
52 HA CYS 8 HA CYS 8 69.156 17.410 4.355
53 1HB CYS 8 2HB CYS 8 71.668 18.214 4.711
54 2HB CYS 8 1HB CYS 8 70.742 18.740 3.306
55 H GLY 9 H GLY 9 70.867 16.108 5.689
56 1HA GLY 9 2HA GLY 9 71.898 15.859 7.955
57 2HA GLY 9 1HA GLY 9 70.438 16.599 8.615
58 H GLN 10 H GLN 10 70.666 14.405 9.861
59 HA GLN 10 HA GLN 10 69.682 12.070 8.366
60 1HB GLN 10 2HB GLN 10 70.297 12.485 11.308
61 2HB GLN 10 1HB GLN 10 70.048 10.929 10.522
62 1HG GLN 10 2HG GLN 10 71.999 11.945 8.928
63 2HG GLN 10 1HG GLN 10 72.417 12.725 10.452
64 1HE2 GLN 10 1HE2 GLN 10 71.635 10.647 12.271
65 2HE2 GLN 10 2HE2 GLN 10 72.644 9.308 12.015
66 H GLY 11 H GLY 11 67.746 14.043 8.219
67 1HA GLY 11 2HA GLY 11 65.818 13.733 10.416
68 2HA GLY 11 1HA GLY 11 65.574 14.679 8.948
69 H VAL 12 H VAL 12 66.108 11.221 9.761
70 HA VAL 12 HA VAL 12 63.723 10.586 8.063
71 HB VAL 12 HB VAL 12 65.983 10.359 6.908
72 1HG1 VAL 12 1HG1 VAL 12 67.112 9.471 9.005
73 2HG1 VAL 12 2HG1 VAL 12 67.445 8.566 7.530
74 3HG1 VAL 12 3HG1 VAL 12 66.286 7.945 8.706
75 1HG2 VAL 12 1HG2 VAL 12 63.851 9.052 6.338
76 2HG2 VAL 12 2HG2 VAL 12 64.566 7.707 7.220
77 3HG2 VAL 12 3HG2 VAL 12 65.373 8.347 5.788
78 H GLN 13 H GLN 13 64.305 10.636 11.082
79 HA GLN 13 HA GLN 13 64.403 7.904 12.000
80 1HB GLN 13 2HB GLN 13 64.363 10.573 13.058
81 2HB GLN 13 1HB GLN 13 63.147 9.615 13.905
82 1HG GLN 13 2HG GLN 13 64.709 8.161 14.796
83 2HG GLN 13 1HG GLN 13 65.824 8.363 13.445
84 1HE2 GLN 13 1HE2 GLN 13 67.004 10.524 13.356
85 2HE2 GLN 13 2HE2 GLN 13 67.342 11.314 14.821
86 H ALA 14 H ALA 14 61.834 9.788 10.655
87 HA ALA 14 HA ALA 14 59.542 9.330 10.366
88 1HB ALA 14 1HB ALA 14 59.062 7.064 10.037
89 2HB ALA 14 2HB ALA 14 60.085 6.547 11.376
90 3HB ALA 14 3HB ALA 14 60.815 7.080 9.861
91 H GLY 15 H GLY 15 59.095 10.735 12.229
92 1HA GLY 15 2HA GLY 15 58.111 9.199 14.600
93 2HA GLY 15 1HA GLY 15 58.893 10.773 14.772
94 H CYS 16 H CYS 16 56.098 9.189 13.226
95 HA CYS 16 HA CYS 16 54.729 11.724 12.696
96 1HB CYS 16 2HB CYS 16 54.137 8.784 12.498
97 2HB CYS 16 1HB CYS 16 52.819 9.929 12.342
98 HA PRO 17 HA PRO 17 53.349 11.951 16.953
99 1HB PRO 17 2HB PRO 17 51.952 14.297 16.668
100 2HB PRO 17 1HB PRO 17 53.714 14.225 16.862
101 1HG PRO 17 2HG PRO 17 52.100 14.566 14.380
102 2HG PRO 17 1HG PRO 17 53.611 15.356 14.863
103 1HD PRO 17 2HD PRO 17 53.540 13.305 13.090
104 2HD PRO 17 1HD PRO 17 54.918 13.591 14.182
105 H GLY 18 H GLY 18 51.135 12.523 14.195
106 1HA GLY 18 2HA GLY 18 49.268 10.520 15.054
107 2HA GLY 18 1HA GLY 18 48.682 12.109 15.546
108 H GLY 19 H GLY 19 50.174 10.677 12.649
109 1HA GLY 19 2HA GLY 19 48.081 10.824 10.856
110 2HA GLY 19 1HA GLY 19 48.715 12.479 10.871
111 H CYS 20 H CYS 20 49.751 9.089 10.412
112 HA CYS 20 HA CYS 20 52.057 10.084 8.796
113 1HB CYS 20 2HB CYS 20 51.909 8.255 10.840
114 2HB CYS 20 1HB CYS 20 51.846 7.213 9.424
115 H VAL 21 H VAL 21 49.324 7.826 8.685
116 HA VAL 21 HA VAL 21 49.774 7.457 5.744
117 HB VAL 21 HB VAL 21 47.940 5.877 7.564
118 1HG1 VAL 21 1HG1 VAL 21 48.342 4.121 5.891
119 2HG1 VAL 21 2HG1 VAL 21 49.429 5.193 5.011
120 3HG1 VAL 21 3HG1 VAL 21 47.709 5.573 5.120
121 1HG2 VAL 21 1HG2 VAL 21 50.000 5.608 8.692
122 2HG2 VAL 21 2HG2 VAL 21 50.925 5.659 7.191
123 3HG2 VAL 21 3HG2 VAL 21 49.959 4.238 7.584
124 H GLU 22 H GLU 22 48.714 9.893 6.170
125 HA GLU 22 HA GLU 22 45.802 9.847 6.363
126 1HB GLU 22 2HB GLU 22 47.882 11.693 6.677
127 2HB GLU 22 1HB GLU 22 47.015 12.266 5.254
128 1HG GLU 22 2HG GLU 22 45.707 13.276 6.850
129 2HG GLU 22 1HG GLU 22 44.908 11.708 6.834
130 H GLU 23 H GLU 23 46.568 8.125 4.279
131 HA GLU 23 HA GLU 23 45.638 9.610 1.876
132 1HB GLU 23 2HB GLU 23 47.186 8.316 0.538
133 2HB GLU 23 1HB GLU 23 48.086 9.022 1.876
134 1HG GLU 23 2HG GLU 23 48.270 6.956 3.001
135 2HG GLU 23 1HG GLU 23 46.923 6.248 2.112
136 H GLU 24 H GLU 24 45.528 6.619 3.751
137 HA GLU 24 HA GLU 24 44.060 4.817 3.756
138 1HB GLU 24 2HB GLU 24 42.250 6.675 2.190
139 2HB GLU 24 1HB GLU 24 41.800 5.431 3.351
140 1HG GLU 24 2HG GLU 24 43.183 6.807 5.066
141 2HG GLU 24 1HG GLU 24 43.065 8.114 3.890
142 H ASP 25 H ASP 25 42.579 3.442 2.153
143 HA ASP 25 HA ASP 25 44.175 3.081 -0.340
144 1HB ASP 25 2HB ASP 25 43.602 0.800 -0.147
145 2HB ASP 25 1HB ASP 25 43.752 1.305 1.534
146 H GLY 26 H GLY 26 40.833 3.482 0.804
147 1HA GLY 26 2HA GLY 26 39.361 4.844 -0.720
148 2HA GLY 26 1HA GLY 26 40.007 3.866 -2.040
149 H GLY 27 H GLY 27 37.823 3.893 0.695
150 1HA GLY 27 2HA GLY 27 37.111 1.151 0.785
151 2HA GLY 27 1HA GLY 27 36.044 2.473 1.259
152 H SER 28 H SER 28 36.639 0.069 -1.083
153 HA SER 28 HA SER 28 35.192 1.326 -3.285
154 1HB SER 28 2HB SER 28 35.368 -1.557 -3.450
155 2HB SER 28 1HB SER 28 36.228 -0.341 -4.390
156 HG SER 28 HG SER 28 37.844 -0.313 -2.882
157 HA PRO 29 HA PRO 29 31.713 -1.711 -2.019
158 1HB PRO 29 2HB PRO 29 31.800 -2.830 0.481
159 2HB PRO 29 1HB PRO 29 32.510 -3.598 -0.952
160 1HG PRO 29 2HG PRO 29 33.832 -2.072 1.230
161 2HG PRO 29 1HG PRO 29 34.397 -3.495 0.342
162 1HD PRO 29 2HD PRO 29 35.266 -0.949 -0.140
163 2HD PRO 29 1HD PRO 29 35.278 -2.248 -1.352
164 H ALA 30 H ALA 30 31.560 0.928 -1.739
165 HA ALA 30 HA ALA 30 30.187 1.424 0.861
166 1HB ALA 30 1HB ALA 30 31.557 3.463 -0.916
167 2HB ALA 30 2HB ALA 30 32.401 2.602 0.371
168 3HB ALA 30 3HB ALA 30 31.054 3.667 0.764
169 H GLU 31 H GLU 31 28.733 0.308 -1.255
170 HA GLU 31 HA GLU 31 27.473 2.382 -2.870
171 1HB GLU 31 2HB GLU 31 27.903 -0.107 -3.413
172 2HB GLU 31 1HB GLU 31 26.504 -0.438 -2.391
173 1HG GLU 31 2HG GLU 31 25.266 -0.122 -4.262
174 2HG GLU 31 1HG GLU 31 25.598 1.597 -4.039
175 H GLY 32 H GLY 32 25.976 0.054 -0.612
176 1HA GLY 32 2HA GLY 32 24.746 0.927 1.386
177 2HA GLY 32 1HA GLY 32 24.226 2.271 0.370
178 H CYS 33 H CYS 33 23.998 -1.261 0.680
179 HA CYS 33 HA CYS 33 21.720 -1.420 -1.165
180 1HB CYS 33 2HB CYS 33 21.711 -3.807 -0.305
181 2HB CYS 33 1HB CYS 33 23.255 -3.290 -0.980
182 H ALA 34 H ALA 34 19.630 -1.066 -0.597
183 HA ALA 34 HA ALA 34 18.773 -1.476 2.239
184 1HB ALA 34 1HB ALA 34 17.711 0.781 2.172
185 2HB ALA 34 2HB ALA 34 18.431 1.049 0.584
186 3HB ALA 34 3HB ALA 34 19.462 0.872 2.004
187 H GLU 35 H GLU 35 18.261 -2.534 -0.694
188 HA GLU 35 HA GLU 35 15.362 -2.031 -0.974
189 1HB GLU 35 2HB GLU 35 17.414 -3.634 -2.546
190 2HB GLU 35 1HB GLU 35 15.747 -3.385 -3.058
191 1HG GLU 35 2HG GLU 35 16.489 -1.502 -4.080
192 2HG GLU 35 1HG GLU 35 16.617 -0.813 -2.463
193 H ALA 36 H ALA 36 14.506 -4.514 -1.942
194 HA ALA 36 HA ALA 36 14.246 -6.037 0.572
195 1HB ALA 36 1HB ALA 36 13.034 -6.444 -2.180
196 2HB ALA 36 2HB ALA 36 12.338 -5.433 -0.914
197 3HB ALA 36 3HB ALA 36 12.472 -7.174 -0.676
198 H GLU 37 H GLU 37 16.895 -6.245 -0.508
199 HA GLU 37 HA GLU 37 16.962 -9.151 -1.130
200 1HB GLU 37 2HB GLU 37 18.699 -8.666 -2.846
201 2HB GLU 37 1HB GLU 37 17.159 -7.881 -3.232
202 1HG GLU 37 2HG GLU 37 17.982 -5.766 -2.820
203 2HG GLU 37 1HG GLU 37 19.126 -6.328 -1.600
204 H GLY 38 H GLY 38 17.812 -6.941 1.106
205 1HA GLY 38 2HA GLY 38 19.410 -6.974 2.827
206 2HA GLY 38 1HA GLY 38 19.933 -8.549 2.222
207 H CYS 39 H CYS 39 21.885 -8.621 1.174
208 HA CYS 39 HA CYS 39 22.907 -6.320 -0.342
209 1HB CYS 39 2HB CYS 39 23.329 -6.268 2.350
210 2HB CYS 39 1HB CYS 39 24.757 -7.160 1.823
211 H LEU 40 H LEU 40 24.074 -9.286 1.325
212 HA LEU 40 HA LEU 40 26.005 -9.962 -0.681
213 1HB LEU 40 2HB LEU 40 25.872 -10.690 1.741
214 2HB LEU 40 1HB LEU 40 24.581 -11.794 1.265
215 HG LEU 40 HG LEU 40 27.016 -11.924 -0.414
216 1HD1 LEU 40 1HD1 LEU 40 28.394 -13.036 1.164
217 2HD1 LEU 40 2HD1 LEU 40 27.091 -13.152 2.346
218 3HD1 LEU 40 3HD1 LEU 40 27.831 -11.588 1.997
219 1HD2 LEU 40 1HD2 LEU 40 26.482 -14.242 -0.439
220 2HD2 LEU 40 2HD2 LEU 40 24.926 -13.415 -0.461
221 3HD2 LEU 40 3HD2 LEU 40 25.529 -14.120 1.040
222 H ARG 41 H ARG 41 22.563 -10.371 -0.582
223 HA ARG 41 HA ARG 41 21.051 -11.318 -2.111
224 1HB ARG 41 2HB ARG 41 23.467 -10.617 -3.523
225 2HB ARG 41 1HB ARG 41 22.820 -12.110 -4.200
226 1HG ARG 41 2HG ARG 41 20.598 -11.021 -4.438
227 2HG ARG 41 1HG ARG 41 21.280 -9.522 -3.806
228 1HD ARG 41 2HD ARG 41 21.289 -9.388 -6.240
229 2HD ARG 41 1HD ARG 41 22.968 -9.593 -5.701
230 HE ARG 41 HE ARG 41 21.889 -12.195 -6.034
231 1HH1 ARG 41 1HH2 ARG 41 22.613 -9.375 -7.940
232 2HH1 ARG 41 2HH2 ARG 41 22.910 -10.275 -9.384
233 1HH2 ARG 41 1HH1 ARG 41 22.299 -13.369 -7.912
234 2HH2 ARG 41 2HH1 ARG 41 22.741 -12.542 -9.365
235 H ARG 42 H ARG 42 21.049 -13.078 -0.420
236 HA ARG 42 HA ARG 42 22.059 -15.648 -1.518
237 1HB ARG 42 2HB ARG 42 23.258 -14.643 0.505
238 2HB ARG 42 1HB ARG 42 21.759 -14.895 1.403
239 1HG ARG 42 2HG ARG 42 21.976 -17.189 1.400
240 2HG ARG 42 1HG ARG 42 22.837 -17.209 -0.135
241 1HD ARG 42 2HD ARG 42 24.234 -15.864 2.116
242 2HD ARG 42 1HD ARG 42 24.095 -17.629 2.217
243 HE ARG 42 HE ARG 42 24.827 -16.965 -0.458
244 1HH1 ARG 42 1HH2 ARG 42 26.090 -16.901 2.781
245 2HH1 ARG 42 2HH2 ARG 42 27.738 -17.048 2.285
246 1HH2 ARG 42 1HH1 ARG 42 26.988 -17.164 -1.111
247 2HH2 ARG 42 2HH1 ARG 42 28.249 -17.201 0.071
248 H GLU 43 H GLU 43 19.703 -15.325 -2.450
249 HA GLU 43 HA GLU 43 17.421 -15.473 -0.753
250 1HB GLU 43 2HB GLU 43 17.872 -16.347 -3.622
251 2HB GLU 43 1HB GLU 43 16.287 -16.135 -2.876
252 1HG GLU 43 2HG GLU 43 16.461 -13.837 -2.826
253 2HG GLU 43 1HG GLU 43 18.212 -13.864 -2.651
254 H GLY 44 H GLY 44 18.038 -17.157 0.811
255 1HA GLY 44 2HA GLY 44 17.894 -19.334 1.670
256 2HA GLY 44 1HA GLY 44 16.772 -19.642 0.349
257 H GLN 45 HN GLN 45 20.250 -18.864 0.307
258 HA GLN 45 HA GLN 45 20.789 -21.570 -0.843
259 1HB GLN 45 2HB GLN 45 22.162 -20.473 -2.616
260 2HB GLN 45 1HB GLN 45 20.454 -20.035 -2.723
261 1HG GLN 45 2HG GLN 45 20.984 -17.864 -2.518
262 2HG GLN 45 1HG GLN 45 21.750 -18.182 -0.966
263 1HE2 GLN 45 1HE2 GLN 45 22.507 -18.669 -4.474
264 2HE2 GLN 45 2HE2 GLN 45 24.143 -18.236 -4.323
Start of MODEL 16
1 1H ALA 1 1HT ALA 1 60.258 23.063 -1.579
2 2H ALA 1 2HT ALA 1 60.107 24.722 -1.261
3 3H ALA 1 3HT ALA 1 58.793 23.852 -1.896
4 HA ALA 1 HA ALA 1 59.988 23.507 0.816
5 1HB ALA 1 1HB ALA 1 58.644 25.571 0.360
6 2HB ALA 1 2HB ALA 1 57.855 24.503 1.520
7 3HB ALA 1 3HB ALA 1 57.301 24.550 -0.154
8 H LEU 2 H LEU 2 58.368 22.116 2.144
9 HA LEU 2 HA LEU 2 57.648 19.740 0.529
10 1HB LEU 2 2HB LEU 2 57.838 18.553 2.632
11 2HB LEU 2 1HB LEU 2 59.229 19.626 2.482
12 HG LEU 2 HG LEU 2 57.011 21.011 3.753
13 1HD1 LEU 2 1HD1 LEU 2 58.049 18.612 5.275
14 2HD1 LEU 2 2HD1 LEU 2 56.514 18.592 4.406
15 3HD1 LEU 2 3HD1 LEU 2 56.756 19.717 5.743
16 1HD2 LEU 2 1HD2 LEU 2 58.929 22.010 4.428
17 2HD2 LEU 2 2HD2 LEU 2 59.897 20.585 4.045
18 3HD2 LEU 2 3HD2 LEU 2 59.065 20.697 5.596
19 H ALA 3 H ALA 3 56.057 22.420 1.806
20 HA ALA 3 HA ALA 3 53.744 21.396 3.063
21 1HB ALA 3 1HB ALA 3 54.129 23.790 1.237
22 2HB ALA 3 2HB ALA 3 54.368 23.760 2.984
23 3HB ALA 3 3HB ALA 3 52.750 23.559 2.315
24 H ARG 4 H ARG 4 54.408 21.782 -0.428
25 HA ARG 4 HA ARG 4 51.971 20.164 -0.972
26 1HB ARG 4 2HB ARG 4 52.785 22.853 -1.870
27 2HB ARG 4 1HB ARG 4 52.238 21.796 -3.171
28 1HG ARG 4 2HG ARG 4 50.195 22.639 -2.509
29 2HG ARG 4 1HG ARG 4 50.292 21.259 -1.418
30 1HD ARG 4 2HD ARG 4 51.686 23.327 -0.089
31 2HD ARG 4 1HD ARG 4 50.228 24.087 -0.759
32 HE ARG 4 HE ARG 4 49.740 21.470 0.488
33 1HH1 ARG 4 1HH2 ARG 4 49.955 24.912 0.962
34 2HH1 ARG 4 2HH2 ARG 4 48.900 24.915 2.325
35 1HH2 ARG 4 1HH1 ARG 4 48.349 21.489 2.273
36 2HH2 ARG 4 2HH1 ARG 4 48.005 22.977 3.075
37 H CYS 5 H CYS 5 52.348 18.437 -2.342
38 HA CYS 5 HA CYS 5 55.045 18.273 -3.642
39 1HB CYS 5 2HB CYS 5 54.205 16.616 -1.840
40 2HB CYS 5 1HB CYS 5 53.117 16.015 -3.087
41 HA PRO 6 HA PRO 6 52.566 18.752 -7.351
42 1HB PRO 6 2HB PRO 6 54.674 18.821 -9.093
43 2HB PRO 6 1HB PRO 6 54.177 20.214 -8.114
44 1HG PRO 6 2HG PRO 6 56.421 18.308 -7.697
45 2HG PRO 6 1HG PRO 6 56.347 20.051 -7.390
46 1HD PRO 6 2HD PRO 6 56.132 18.141 -5.440
47 2HD PRO 6 1HD PRO 6 55.444 19.777 -5.312
48 H GLY 7 H GLY 7 51.540 16.796 -7.753
49 1HA GLY 7 2HA GLY 7 51.180 14.704 -8.752
50 2HA GLY 7 1HA GLY 7 52.713 14.926 -9.590
51 H CYS 8 H CYS 8 51.936 14.603 -6.102
52 HA CYS 8 HA CYS 8 54.205 12.748 -5.780
53 1HB CYS 8 2HB CYS 8 52.760 14.595 -4.212
54 2HB CYS 8 1HB CYS 8 52.457 13.021 -3.482
55 H GLY 9 H GLY 9 53.620 10.777 -4.222
56 1HA GLY 9 2HA GLY 9 51.836 9.057 -5.727
57 2HA GLY 9 1HA GLY 9 52.709 8.604 -4.263
58 H GLN 10 H GLN 10 49.891 8.096 -4.943
59 HA GLN 10 HA GLN 10 48.230 9.846 -3.315
60 1HB GLN 10 2HB GLN 10 47.971 7.631 -5.198
61 2HB GLN 10 1HB GLN 10 46.882 7.439 -3.825
62 1HG GLN 10 2HG GLN 10 46.843 10.189 -4.666
63 2HG GLN 10 1HG GLN 10 46.554 9.154 -6.064
64 1HE2 GLN 10 1HE2 GLN 10 45.000 7.134 -5.298
65 2HE2 GLN 10 2HE2 GLN 10 43.606 7.643 -4.477
66 H GLY 11 H GLY 11 50.265 9.006 -1.647
67 1HA GLY 11 2HA GLY 11 49.485 6.617 -0.146
68 2HA GLY 11 1HA GLY 11 50.777 7.738 0.289
69 H VAL 12 H VAL 12 49.668 10.105 0.694
70 HA VAL 12 HA VAL 12 47.272 9.723 2.434
71 HB VAL 12 HB VAL 12 49.281 9.516 3.814
72 1HG1 VAL 12 1HG1 VAL 12 50.848 11.466 3.991
73 2HG1 VAL 12 2HG1 VAL 12 50.055 12.173 2.583
74 3HG1 VAL 12 3HG1 VAL 12 50.916 10.638 2.439
75 1HG2 VAL 12 1HG2 VAL 12 47.219 10.951 4.528
76 2HG2 VAL 12 2HG2 VAL 12 48.310 12.322 4.322
77 3HG2 VAL 12 3HG2 VAL 12 48.698 11.053 5.482
78 H GLN 13 H GLN 13 46.591 10.787 0.209
79 HA GLN 13 HA GLN 13 47.163 13.630 -0.065
80 1HB GLN 13 2HB GLN 13 46.684 11.936 -1.913
81 2HB GLN 13 1HB GLN 13 44.995 11.986 -1.401
82 1HG GLN 13 2HG GLN 13 44.931 13.657 -2.994
83 2HG GLN 13 1HG GLN 13 45.412 14.627 -1.601
84 1HE2 GLN 13 1HE2 GLN 13 46.233 14.085 -4.794
85 2HE2 GLN 13 2HE2 GLN 13 47.870 14.529 -4.731
86 H ALA 14 H ALA 14 44.492 11.657 1.166
87 HA ALA 14 HA ALA 14 42.900 14.081 1.799
88 1HB ALA 14 1HB ALA 14 41.945 12.002 0.734
89 2HB ALA 14 2HB ALA 14 41.140 12.452 2.237
90 3HB ALA 14 3HB ALA 14 42.307 11.130 2.223
91 H GLY 15 H GLY 15 41.937 14.165 4.056
92 1HA GLY 15 2HA GLY 15 43.936 14.216 6.085
93 2HA GLY 15 1HA GLY 15 42.198 14.307 6.380
94 H CYS 16 H CYS 16 41.602 11.661 5.189
95 HA CYS 16 HA CYS 16 42.747 9.958 7.378
96 1HB CYS 16 2HB CYS 16 40.414 8.903 5.984
97 2HB CYS 16 1HB CYS 16 40.635 9.210 7.703
98 HA PRO 17 HA PRO 17 44.686 8.260 3.610
99 1HB PRO 17 2HB PRO 17 46.743 7.043 4.951
100 2HB PRO 17 1HB PRO 17 46.759 8.754 4.476
101 1HG PRO 17 2HG PRO 17 46.123 7.535 7.124
102 2HG PRO 17 1HG PRO 17 47.071 8.984 6.749
103 1HD PRO 17 2HD PRO 17 44.515 9.109 7.620
104 2HD PRO 17 1HD PRO 17 45.203 10.308 6.496
105 H GLY 18 H GLY 18 43.446 6.548 2.927
106 1HA GLY 18 2HA GLY 18 42.588 4.369 2.781
107 2HA GLY 18 1HA GLY 18 43.884 3.893 3.880
108 H GLY 19 H GLY 19 41.716 6.368 5.022
109 1HA GLY 19 2HA GLY 19 39.874 4.475 6.314
110 2HA GLY 19 1HA GLY 19 41.010 5.256 7.421
111 H CYS 20 H CYS 20 39.097 6.383 4.610
112 HA CYS 20 HA CYS 20 37.996 8.563 6.362
113 1HB CYS 20 2HB CYS 20 39.811 8.927 4.409
114 2HB CYS 20 1HB CYS 20 38.348 8.987 3.428
115 H VAL 21 H VAL 21 36.039 7.451 6.694
116 HA VAL 21 HA VAL 21 34.352 6.996 4.261
117 HB VAL 21 HB VAL 21 33.279 5.222 5.699
118 1HG1 VAL 21 1HG1 VAL 21 36.196 4.577 5.624
119 2HG1 VAL 21 2HG1 VAL 21 35.418 5.008 4.101
120 3HG1 VAL 21 3HG1 VAL 21 34.826 3.635 5.036
121 1HG2 VAL 21 1HG2 VAL 21 35.675 5.286 7.476
122 2HG2 VAL 21 2HG2 VAL 21 34.044 4.712 7.816
123 3HG2 VAL 21 3HG2 VAL 21 34.385 6.441 7.807
124 H GLU 22 H GLU 22 34.453 9.527 5.607
125 HA GLU 22 HA GLU 22 31.868 9.613 7.057
126 1HB GLU 22 2HB GLU 22 34.376 11.299 7.025
127 2HB GLU 22 1HB GLU 22 32.878 11.880 7.747
128 1HG GLU 22 2HG GLU 22 33.176 9.287 8.753
129 2HG GLU 22 1HG GLU 22 34.800 9.973 8.810
130 H GLU 23 H GLU 23 31.773 9.412 4.224
131 HA GLU 23 HA GLU 23 31.350 12.181 3.259
132 1HB GLU 23 2HB GLU 23 32.667 10.131 2.143
133 2HB GLU 23 1HB GLU 23 31.061 9.769 1.516
134 1HG GLU 23 2HG GLU 23 31.723 11.199 -0.143
135 2HG GLU 23 1HG GLU 23 31.170 12.427 0.998
136 H GLU 24 H GLU 24 29.661 9.015 3.038
137 HA GLU 24 HA GLU 24 27.116 10.197 2.336
138 1HB GLU 24 2HB GLU 24 28.086 7.477 3.226
139 2HB GLU 24 1HB GLU 24 26.381 7.790 2.902
140 1HG GLU 24 2HG GLU 24 26.812 7.395 0.728
141 2HG GLU 24 1HG GLU 24 27.711 8.912 0.712
142 H ASP 25 H ASP 25 25.189 10.256 3.693
143 HA ASP 25 HA ASP 25 25.817 10.749 6.560
144 1HB ASP 25 2HB ASP 25 23.821 12.029 6.548
145 2HB ASP 25 1HB ASP 25 24.563 12.338 4.982
146 H GLY 26 H GLY 26 25.742 7.990 5.653
147 1HA GLY 26 2HA GLY 26 24.582 6.603 7.666
148 2HA GLY 26 1HA GLY 26 23.189 6.871 6.615
149 H GLY 27 H GLY 27 23.158 5.828 4.535
150 1HA GLY 27 2HA GLY 27 25.361 3.878 3.988
151 2HA GLY 27 1HA GLY 27 23.691 3.311 4.052
152 H SER 28 H SER 28 25.743 3.569 1.792
153 HA SER 28 HA SER 28 24.467 5.489 -0.038
154 1HB SER 28 2HB SER 28 26.918 4.957 0.086
155 2HB SER 28 1HB SER 28 26.552 3.329 -0.475
156 HG SER 28 HG SER 28 27.089 5.301 -1.986
157 HA PRO 29 HA PRO 29 21.566 2.642 -1.766
158 1HB PRO 29 2HB PRO 29 21.579 3.403 -4.411
159 2HB PRO 29 1HB PRO 29 20.768 4.330 -3.131
160 1HG PRO 29 2HG PRO 29 23.453 4.782 -4.370
161 2HG PRO 29 1HG PRO 29 22.196 5.955 -3.940
162 1HD PRO 29 2HD PRO 29 24.358 5.567 -2.390
163 2HD PRO 29 1HD PRO 29 22.766 5.959 -1.704
164 H ALA 30 H ALA 30 24.785 2.956 -3.150
165 HA ALA 30 HA ALA 30 24.611 0.346 -4.519
166 1HB ALA 30 1HB ALA 30 26.812 2.424 -4.276
167 2HB ALA 30 2HB ALA 30 25.672 2.286 -5.614
168 3HB ALA 30 3HB ALA 30 26.859 1.013 -5.340
169 H GLU 31 H GLU 31 24.631 0.728 -1.457
170 HA GLU 31 HA GLU 31 27.192 -0.369 -0.577
171 1HB GLU 31 2HB GLU 31 25.476 1.258 0.573
172 2HB GLU 31 1HB GLU 31 24.666 -0.231 1.054
173 1HG GLU 31 2HG GLU 31 26.082 -0.095 2.837
174 2HG GLU 31 1HG GLU 31 27.221 -0.851 1.723
175 H GLY 32 H GLY 32 24.373 -1.727 -1.928
176 1HA GLY 32 2HA GLY 32 23.866 -4.011 -2.289
177 2HA GLY 32 1HA GLY 32 25.269 -4.437 -1.305
178 H CYS 33 H CYS 33 22.815 -2.229 -0.126
179 HA CYS 33 HA CYS 33 21.347 -4.275 1.385
180 1HB CYS 33 2HB CYS 33 23.778 -3.187 2.392
181 2HB CYS 33 1HB CYS 33 22.474 -2.459 3.328
182 H ALA 34 H ALA 34 20.473 -2.268 -0.453
183 HA ALA 34 HA ALA 34 19.245 -0.181 1.318
184 1HB ALA 34 1HB ALA 34 20.712 0.457 -0.638
185 2HB ALA 34 2HB ALA 34 19.083 1.128 -0.717
186 3HB ALA 34 3HB ALA 34 19.508 -0.271 -1.703
187 H GLU 35 H GLU 35 18.406 -2.303 -1.466
188 HA GLU 35 HA GLU 35 15.527 -1.910 -0.859
189 1HB GLU 35 2HB GLU 35 17.079 -3.257 -3.099
190 2HB GLU 35 1HB GLU 35 15.319 -3.150 -3.053
191 1HG GLU 35 2HG GLU 35 15.616 -0.619 -2.810
192 2HG GLU 35 1HG GLU 35 17.310 -0.877 -3.230
193 H ALA 36 H ALA 36 14.453 -4.323 -1.628
194 HA ALA 36 HA ALA 36 15.038 -6.043 0.674
195 1HB ALA 36 1HB ALA 36 13.121 -6.371 -1.661
196 2HB ALA 36 2HB ALA 36 12.740 -5.510 -0.169
197 3HB ALA 36 3HB ALA 36 13.055 -7.246 -0.133
198 H GLU 37 H GLU 37 17.276 -5.918 -1.068
199 HA GLU 37 HA GLU 37 17.291 -8.232 -2.842
200 1HB GLU 37 2HB GLU 37 19.786 -7.610 -2.901
201 2HB GLU 37 1HB GLU 37 18.658 -6.373 -3.459
202 1HG GLU 37 2HG GLU 37 18.923 -5.080 -1.510
203 2HG GLU 37 1HG GLU 37 19.533 -6.448 -0.575
204 H GLY 38 H GLY 38 17.703 -7.756 0.533
205 1HA GLY 38 2HA GLY 38 17.737 -10.090 1.684
206 2HA GLY 38 1HA GLY 38 19.232 -10.313 0.783
207 H CYS 39 H CYS 39 18.204 -7.330 2.381
208 HA CYS 39 HA CYS 39 20.748 -7.345 3.899
209 1HB CYS 39 2HB CYS 39 19.833 -5.390 2.524
210 2HB CYS 39 1HB CYS 39 18.610 -5.213 3.780
211 H LEU 40 H LEU 40 17.237 -7.003 4.568
212 HA LEU 40 HA LEU 40 17.729 -7.312 7.448
213 1HB LEU 40 2HB LEU 40 15.435 -6.569 5.655
214 2HB LEU 40 1HB LEU 40 15.093 -7.081 7.308
215 HG LEU 40 HG LEU 40 17.237 -5.031 6.858
216 1HD1 LEU 40 1HD1 LEU 40 14.283 -4.651 6.500
217 2HD1 LEU 40 2HD1 LEU 40 15.618 -3.891 5.633
218 3HD1 LEU 40 3HD1 LEU 40 15.219 -3.371 7.270
219 1HD2 LEU 40 1HD2 LEU 40 16.269 -4.237 9.048
220 2HD2 LEU 40 2HD2 LEU 40 16.931 -5.871 9.106
221 3HD2 LEU 40 3HD2 LEU 40 15.185 -5.627 9.011
222 H ARG 41 H ARG 41 14.792 -8.708 6.214
223 HA ARG 41 HA ARG 41 15.770 -11.438 6.015
224 1HB ARG 41 2HB ARG 41 14.555 -12.173 8.109
225 2HB ARG 41 1HB ARG 41 15.959 -11.147 8.418
226 1HG ARG 41 2HG ARG 41 14.554 -9.210 8.765
227 2HG ARG 41 1HG ARG 41 13.121 -10.089 8.226
228 1HD ARG 41 2HD ARG 41 13.386 -11.651 10.158
229 2HD ARG 41 1HD ARG 41 14.753 -10.670 10.724
230 HE ARG 41 HE ARG 41 12.807 -8.775 10.371
231 1HH1 ARG 41 1HH2 ARG 41 12.897 -11.855 11.997
232 2HH1 ARG 41 2HH2 ARG 41 11.719 -11.405 13.179
233 1HH2 ARG 41 1HH1 ARG 41 11.275 -8.189 11.926
234 2HH2 ARG 41 2HH1 ARG 41 10.784 -9.338 13.126
235 H ARG 42 H ARG 42 13.668 -12.963 6.198
236 HA ARG 42 HA ARG 42 11.164 -11.683 5.392
237 1HB ARG 42 2HB ARG 42 13.009 -11.953 3.436
238 2HB ARG 42 1HB ARG 42 12.280 -13.555 3.352
239 1HG ARG 42 2HG ARG 42 10.304 -11.387 3.571
240 2HG ARG 42 1HG ARG 42 11.298 -11.295 2.118
241 1HD ARG 42 2HD ARG 42 10.556 -13.371 1.313
242 2HD ARG 42 1HD ARG 42 10.061 -13.923 2.927
243 HE ARG 42 HE ARG 42 8.655 -11.541 1.838
244 1HH1 ARG 42 1HH2 ARG 42 8.657 -14.978 2.465
245 2HH1 ARG 42 2HH2 ARG 42 6.924 -15.079 2.539
246 1HH2 ARG 42 1HH1 ARG 42 6.416 -11.719 1.824
247 2HH2 ARG 42 2HH1 ARG 42 5.665 -13.257 2.114
248 H GLU 43 H GLU 43 10.678 -13.036 7.391
249 HA GLU 43 HA GLU 43 10.011 -15.819 6.601
250 1HB GLU 43 2HB GLU 43 11.687 -14.808 8.873
251 2HB GLU 43 1HB GLU 43 10.757 -16.289 9.095
252 1HG GLU 43 2HG GLU 43 12.280 -17.457 7.923
253 2HG GLU 43 1HG GLU 43 12.063 -16.390 6.535
254 H GLY 44 H GLY 44 7.995 -16.465 7.323
255 1HA GLY 44 2HA GLY 44 6.114 -16.501 8.806
256 2HA GLY 44 1HA GLY 44 6.713 -15.030 9.576
257 H GLN 45 HN GLN 45 6.422 -15.296 6.070
258 HA GLN 45 HA GLN 45 3.883 -13.756 6.088
259 1HB GLN 45 2HB GLN 45 6.603 -12.786 5.195
260 2HB GLN 45 1HB GLN 45 5.131 -12.109 4.500
261 1HG GLN 45 2HG GLN 45 4.497 -12.003 7.139
262 2HG GLN 45 1HG GLN 45 6.244 -11.798 7.231
263 1HE2 GLN 45 1HE2 GLN 45 3.624 -10.582 5.041
264 2HE2 GLN 45 2HE2 GLN 45 4.168 -8.972 5.067
Start of MODEL 17
1 1H ALA 1 1HT ALA 1 62.896 6.276 -32.045
2 2H ALA 1 2HT ALA 1 64.510 6.001 -32.482
3 3H ALA 1 3HT ALA 1 63.631 7.245 -33.233
4 HA ALA 1 HA ALA 1 65.110 8.228 -31.610
5 1HB ALA 1 1HB ALA 1 63.346 9.409 -30.335
6 2HB ALA 1 2HB ALA 1 62.206 8.118 -30.715
7 3HB ALA 1 3HB ALA 1 62.834 9.146 -32.001
8 H LEU 2 H LEU 2 66.184 7.994 -29.637
9 HA LEU 2 HA LEU 2 65.092 6.189 -27.571
10 1HB LEU 2 2HB LEU 2 66.664 5.110 -29.442
11 2HB LEU 2 1HB LEU 2 67.939 5.806 -28.443
12 HG LEU 2 HG LEU 2 67.441 3.472 -27.789
13 1HD1 LEU 2 1HD1 LEU 2 67.499 3.851 -25.492
14 2HD1 LEU 2 2HD1 LEU 2 66.373 5.204 -25.579
15 3HD1 LEU 2 3HD1 LEU 2 68.038 5.403 -26.131
16 1HD2 LEU 2 1HD2 LEU 2 65.335 2.737 -27.130
17 2HD2 LEU 2 2HD2 LEU 2 64.911 3.858 -28.423
18 3HD2 LEU 2 3HD2 LEU 2 64.771 4.360 -26.737
19 H ALA 3 H ALA 3 65.156 7.568 -25.816
20 HA ALA 3 HA ALA 3 67.619 9.198 -25.412
21 1HB ALA 3 1HB ALA 3 66.014 10.699 -24.140
22 2HB ALA 3 2HB ALA 3 64.708 9.685 -24.754
23 3HB ALA 3 3HB ALA 3 65.718 10.597 -25.876
24 H ARG 4 H ARG 4 68.081 9.603 -23.040
25 HA ARG 4 HA ARG 4 67.335 7.230 -21.400
26 1HB ARG 4 2HB ARG 4 69.776 7.790 -22.257
27 2HB ARG 4 1HB ARG 4 69.760 8.935 -20.914
28 1HG ARG 4 2HG ARG 4 69.603 7.251 -19.300
29 2HG ARG 4 1HG ARG 4 68.888 6.101 -20.431
30 1HD ARG 4 2HD ARG 4 71.037 5.825 -21.578
31 2HD ARG 4 1HD ARG 4 71.774 7.061 -20.540
32 HE ARG 4 HE ARG 4 71.729 5.532 -18.715
33 1HH1 ARG 4 1HH2 ARG 4 69.916 4.336 -21.463
34 2HH1 ARG 4 2HH2 ARG 4 69.840 2.714 -20.854
35 1HH2 ARG 4 1HH1 ARG 4 71.608 3.417 -17.924
36 2HH2 ARG 4 2HH1 ARG 4 70.799 2.193 -18.854
37 H CYS 5 H CYS 5 67.092 7.653 -19.073
38 HA CYS 5 HA CYS 5 66.436 10.513 -18.444
39 1HB CYS 5 2HB CYS 5 64.634 9.306 -16.944
40 2HB CYS 5 1HB CYS 5 64.328 9.526 -18.662
41 HA PRO 6 HA PRO 6 68.828 9.859 -14.829
42 1HB PRO 6 2HB PRO 6 67.642 11.529 -13.021
43 2HB PRO 6 1HB PRO 6 68.619 12.107 -14.384
44 1HG PRO 6 2HG PRO 6 65.676 12.085 -14.055
45 2HG PRO 6 1HG PRO 6 66.712 13.211 -14.941
46 1HD PRO 6 2HD PRO 6 65.190 11.166 -16.076
47 2HD PRO 6 1HD PRO 6 66.532 12.029 -16.865
48 H GLY 7 H GLY 7 65.345 9.953 -13.956
49 1HA GLY 7 2HA GLY 7 65.855 7.775 -11.983
50 2HA GLY 7 1HA GLY 7 64.469 8.859 -11.957
51 H CYS 8 H CYS 8 65.955 6.428 -14.142
52 HA CYS 8 HA CYS 8 63.298 5.815 -15.290
53 1HB CYS 8 2HB CYS 8 65.837 4.261 -15.745
54 2HB CYS 8 1HB CYS 8 64.521 4.576 -16.869
55 H GLY 9 H GLY 9 62.084 4.008 -14.731
56 1HA GLY 9 2HA GLY 9 62.050 1.650 -13.908
57 2HA GLY 9 1HA GLY 9 63.279 2.131 -12.735
58 H GLN 10 H GLN 10 59.868 2.382 -13.572
59 HA GLN 10 HA GLN 10 57.986 3.029 -12.298
60 1HB GLN 10 2HB GLN 10 59.953 1.893 -10.311
61 2HB GLN 10 1HB GLN 10 58.351 2.424 -9.802
62 1HG GLN 10 2HG GLN 10 57.329 0.635 -10.758
63 2HG GLN 10 1HG GLN 10 58.319 0.740 -12.213
64 1HE2 GLN 10 1HE2 GLN 10 58.694 -0.196 -8.738
65 2HE2 GLN 10 2HE2 GLN 10 59.763 -1.474 -9.063
66 H GLY 11 H GLY 11 59.983 5.147 -12.857
67 1HA GLY 11 2HA GLY 11 59.640 6.865 -10.433
68 2HA GLY 11 1HA GLY 11 60.906 7.099 -11.643
69 H VAL 12 H VAL 12 59.292 6.792 -13.976
70 HA VAL 12 HA VAL 12 58.098 9.462 -14.081
71 HB VAL 12 HB VAL 12 58.175 7.202 -16.107
72 1HG1 VAL 12 1HG1 VAL 12 56.586 8.823 -16.845
73 2HG1 VAL 12 2HG1 VAL 12 58.078 9.204 -17.705
74 3HG1 VAL 12 3HG1 VAL 12 57.597 10.167 -16.308
75 1HG2 VAL 12 1HG2 VAL 12 60.103 8.800 -16.975
76 2HG2 VAL 12 2HG2 VAL 12 60.443 7.621 -15.708
77 3HG2 VAL 12 3HG2 VAL 12 60.157 9.308 -15.287
78 H GLN 13 H GLN 13 56.845 6.116 -14.460
79 HA GLN 13 HA GLN 13 54.088 6.955 -14.703
80 1HB GLN 13 2HB GLN 13 55.410 4.748 -15.371
81 2HB GLN 13 1HB GLN 13 54.911 4.229 -13.761
82 1HG GLN 13 2HG GLN 13 52.597 4.462 -14.291
83 2HG GLN 13 1HG GLN 13 52.947 5.383 -15.754
84 1HE2 GLN 13 1HE2 GLN 13 53.052 2.122 -14.342
85 2HE2 GLN 13 2HE2 GLN 13 53.210 1.306 -15.821
86 H ALA 14 H ALA 14 52.619 7.332 -13.069
87 HA ALA 14 HA ALA 14 53.552 7.013 -10.247
88 1HB ALA 14 1HB ALA 14 52.753 9.219 -11.347
89 2HB ALA 14 2HB ALA 14 52.060 8.802 -9.781
90 3HB ALA 14 3HB ALA 14 51.131 8.527 -11.255
91 H GLY 15 H GLY 15 51.043 6.953 -8.989
92 1HA GLY 15 2HA GLY 15 49.265 4.973 -10.141
93 2HA GLY 15 1HA GLY 15 50.330 4.254 -8.933
94 H CYS 16 H CYS 16 49.795 4.508 -6.796
95 HA CYS 16 HA CYS 16 47.512 6.361 -6.188
96 1HB CYS 16 2HB CYS 16 46.676 4.247 -5.741
97 2HB CYS 16 1HB CYS 16 48.273 3.571 -5.426
98 HA PRO 17 HA PRO 17 50.973 8.034 -3.753
99 1HB PRO 17 2HB PRO 17 50.081 10.626 -3.781
100 2HB PRO 17 1HB PRO 17 51.023 9.916 -5.106
101 1HG PRO 17 2HG PRO 17 48.116 10.455 -4.924
102 2HG PRO 17 1HG PRO 17 49.184 10.515 -6.332
103 1HD PRO 17 2HD PRO 17 47.431 8.453 -5.746
104 2HD PRO 17 1HD PRO 17 48.838 8.324 -6.824
105 H GLY 18 H GLY 18 49.278 6.576 -2.330
106 1HA GLY 18 2HA GLY 18 48.586 6.581 -0.029
107 2HA GLY 18 1HA GLY 18 48.415 8.341 -0.108
108 H GLY 19 H GLY 19 46.900 7.900 -2.805
109 1HA GLY 19 2HA GLY 19 44.264 7.450 -1.494
110 2HA GLY 19 1HA GLY 19 44.506 8.285 -3.035
111 H CYS 20 H CYS 20 44.994 5.045 -1.580
112 HA CYS 20 HA CYS 20 44.871 3.737 -4.194
113 1HB CYS 20 2HB CYS 20 45.170 2.928 -1.303
114 2HB CYS 20 1HB CYS 20 44.847 1.703 -2.537
115 H VAL 21 H VAL 21 43.115 2.599 -4.970
116 HA VAL 21 HA VAL 21 40.472 3.351 -3.980
117 HB VAL 21 HB VAL 21 39.728 1.999 -5.937
118 1HG1 VAL 21 1HG1 VAL 21 41.807 4.130 -6.088
119 2HG1 VAL 21 2HG1 VAL 21 40.149 4.129 -6.689
120 3HG1 VAL 21 3HG1 VAL 21 41.412 3.290 -7.587
121 1HG2 VAL 21 1HG2 VAL 21 42.604 1.552 -6.672
122 2HG2 VAL 21 2HG2 VAL 21 41.171 0.674 -7.204
123 3HG2 VAL 21 3HG2 VAL 21 41.824 0.401 -5.588
124 H GLU 22 H GLU 22 42.551 0.576 -3.483
125 HA GLU 22 HA GLU 22 40.342 -1.139 -2.601
126 1HB GLU 22 2HB GLU 22 42.378 -2.644 -2.041
127 2HB GLU 22 1HB GLU 22 42.053 -2.313 -3.736
128 1HG GLU 22 2HG GLU 22 43.834 -0.711 -3.853
129 2HG GLU 22 1HG GLU 22 43.991 -0.653 -2.095
130 H GLU 23 H GLU 23 41.436 1.473 -1.131
131 HA GLU 23 HA GLU 23 41.406 0.240 1.579
132 1HB GLU 23 2HB GLU 23 43.335 2.156 0.299
133 2HB GLU 23 1HB GLU 23 43.061 2.257 2.034
134 1HG GLU 23 2HG GLU 23 43.489 -0.482 1.038
135 2HG GLU 23 1HG GLU 23 44.883 0.580 0.847
136 H GLU 24 H GLU 24 39.368 1.759 -0.181
137 HA GLU 24 HA GLU 24 38.997 4.308 1.213
138 1HB GLU 24 2HB GLU 24 37.839 2.813 -1.084
139 2HB GLU 24 1HB GLU 24 36.773 3.972 -0.291
140 1HG GLU 24 2HG GLU 24 39.582 4.690 -1.136
141 2HG GLU 24 1HG GLU 24 38.207 4.875 -2.222
142 H ASP 25 H ASP 25 38.248 1.121 2.060
143 HA ASP 25 HA ASP 25 35.713 1.912 3.417
144 1HB ASP 25 2HB ASP 25 35.205 -0.413 3.391
145 2HB ASP 25 1HB ASP 25 35.969 -0.113 1.834
146 H GLY 26 H GLY 26 38.698 2.416 4.224
147 1HA GLY 26 2HA GLY 26 39.109 0.832 6.611
148 2HA GLY 26 1HA GLY 26 39.996 2.297 6.169
149 H GLY 27 H GLY 27 36.591 1.541 6.943
150 1HA GLY 27 2HA GLY 27 35.670 2.343 9.144
151 2HA GLY 27 1HA GLY 27 36.646 3.796 8.926
152 H SER 28 H SER 28 35.323 2.797 5.958
153 HA SER 28 HA SER 28 33.188 4.883 6.176
154 1HB SER 28 2HB SER 28 34.083 3.833 3.537
155 2HB SER 28 1HB SER 28 33.758 5.485 4.036
156 HG SER 28 HG SER 28 36.082 4.500 3.664
157 HA PRO 29 HA PRO 29 30.832 0.961 5.853
158 1HB PRO 29 2HB PRO 29 28.651 1.871 7.245
159 2HB PRO 29 1HB PRO 29 30.096 1.201 8.030
160 1HG PRO 29 2HG PRO 29 29.275 4.041 7.684
161 2HG PRO 29 1HG PRO 29 30.084 3.258 9.049
162 1HD PRO 29 2HD PRO 29 31.356 4.807 7.180
163 2HD PRO 29 1HD PRO 29 32.156 3.541 8.139
164 H ALA 30 H ALA 30 30.871 1.949 3.517
165 HA ALA 30 HA ALA 30 28.279 3.253 2.861
166 1HB ALA 30 1HB ALA 30 30.905 3.015 1.355
167 2HB ALA 30 2HB ALA 30 30.334 4.445 2.216
168 3HB ALA 30 3HB ALA 30 29.492 3.894 0.768
169 H GLU 31 H GLU 31 27.677 0.728 3.311
170 HA GLU 31 HA GLU 31 28.234 -1.084 1.100
171 1HB GLU 31 2HB GLU 31 27.816 -1.640 3.559
172 2HB GLU 31 1HB GLU 31 26.114 -1.304 3.245
173 1HG GLU 31 2HG GLU 31 25.824 -3.311 2.273
174 2HG GLU 31 1HG GLU 31 27.206 -3.059 1.208
175 H GLY 32 H GLY 32 25.680 1.180 1.944
176 1HA GLY 32 2HA GLY 32 23.957 2.014 0.576
177 2HA GLY 32 1HA GLY 32 24.599 1.029 -0.737
178 H CYS 33 H CYS 33 23.333 0.058 2.476
179 HA CYS 33 HA CYS 33 21.803 -2.116 1.245
180 1HB CYS 33 2HB CYS 33 22.315 -1.050 4.017
181 2HB CYS 33 1HB CYS 33 21.039 -2.239 3.766
182 H ALA 34 H ALA 34 20.309 -0.903 -0.117
183 HA ALA 34 HA ALA 34 18.322 0.805 1.323
184 1HB ALA 34 1HB ALA 34 18.830 0.346 -1.640
185 2HB ALA 34 2HB ALA 34 19.535 1.655 -0.689
186 3HB ALA 34 3HB ALA 34 17.792 1.588 -0.940
187 H GLU 35 H GLU 35 18.243 -1.620 -1.328
188 HA GLU 35 HA GLU 35 15.472 -2.324 -0.640
189 1HB GLU 35 2HB GLU 35 15.696 -3.756 -2.661
190 2HB GLU 35 1HB GLU 35 16.241 -2.110 -2.968
191 1HG GLU 35 2HG GLU 35 18.401 -3.830 -1.984
192 2HG GLU 35 1HG GLU 35 17.704 -4.398 -3.504
193 H ALA 36 H ALA 36 15.320 -5.027 -1.035
194 HA ALA 36 HA ALA 36 16.880 -6.120 1.278
195 1HB ALA 36 1HB ALA 36 14.952 -7.236 1.842
196 2HB ALA 36 2HB ALA 36 14.513 -7.543 0.163
197 3HB ALA 36 3HB ALA 36 14.189 -5.966 0.885
198 H GLU 37 H GLU 37 17.986 -5.980 -1.457
199 HA GLU 37 HA GLU 37 18.015 -8.862 -2.214
200 1HB GLU 37 2HB GLU 37 17.701 -6.424 -3.652
201 2HB GLU 37 1HB GLU 37 19.246 -7.128 -4.149
202 1HG GLU 37 2HG GLU 37 18.110 -8.552 -5.461
203 2HG GLU 37 1HG GLU 37 17.420 -9.276 -4.008
204 H GLY 38 H GLY 38 20.221 -6.033 -2.131
205 1HA GLY 38 2HA GLY 38 22.612 -7.651 -2.192
206 2HA GLY 38 1HA GLY 38 22.551 -5.942 -1.762
207 H CYS 39 H CYS 39 20.771 -6.126 0.431
208 HA CYS 39 HA CYS 39 21.876 -8.069 2.359
209 1HB CYS 39 2HB CYS 39 22.534 -5.993 3.825
210 2HB CYS 39 1HB CYS 39 23.625 -6.519 2.547
211 H LEU 40 H LEU 40 19.552 -8.600 2.419
212 HA LEU 40 HA LEU 40 17.553 -6.663 3.173
213 1HB LEU 40 2HB LEU 40 16.171 -8.713 3.509
214 2HB LEU 40 1HB LEU 40 17.069 -8.771 1.996
215 HG LEU 40 HG LEU 40 18.816 -9.903 3.856
216 1HD1 LEU 40 1HD1 LEU 40 15.946 -10.567 4.459
217 2HD1 LEU 40 2HD1 LEU 40 17.278 -10.273 5.578
218 3HD1 LEU 40 3HD1 LEU 40 17.202 -11.786 4.676
219 1HD2 LEU 40 1HD2 LEU 40 18.815 -10.981 1.841
220 2HD2 LEU 40 2HD2 LEU 40 17.078 -10.765 1.623
221 3HD2 LEU 40 3HD2 LEU 40 17.683 -12.056 2.663
222 H ARG 41 H ARG 41 16.269 -8.114 5.351
223 HA ARG 41 HA ARG 41 18.127 -8.285 7.584
224 1HB ARG 41 2HB ARG 41 16.914 -6.288 8.726
225 2HB ARG 41 1HB ARG 41 18.163 -5.943 7.528
226 1HG ARG 41 2HG ARG 41 15.593 -6.265 6.216
227 2HG ARG 41 1HG ARG 41 15.474 -5.061 7.498
228 1HD ARG 41 2HD ARG 41 17.914 -4.881 5.802
229 2HD ARG 41 1HD ARG 41 16.387 -4.448 5.010
230 HE ARG 41 HE ARG 41 17.547 -3.107 7.407
231 1HH1 ARG 41 1HH2 ARG 41 14.918 -3.454 5.135
232 2HH1 ARG 41 2HH2 ARG 41 14.244 -1.912 5.510
233 1HH2 ARG 41 1HH1 ARG 41 16.637 -1.117 7.900
234 2HH2 ARG 41 2HH1 ARG 41 15.205 -0.590 7.073
235 H ARG 42 H ARG 42 14.712 -7.996 6.547
236 HA ARG 42 HA ARG 42 12.758 -9.012 7.370
237 1HB ARG 42 2HB ARG 42 14.833 -10.887 8.575
238 2HB ARG 42 1HB ARG 42 13.127 -11.236 8.339
239 1HG ARG 42 2HG ARG 42 13.752 -10.516 5.820
240 2HG ARG 42 1HG ARG 42 15.319 -11.143 6.340
241 1HD ARG 42 2HD ARG 42 14.245 -13.261 7.048
242 2HD ARG 42 1HD ARG 42 12.675 -12.629 6.516
243 HE ARG 42 HE ARG 42 14.864 -13.502 4.748
244 1HH1 ARG 42 1HH2 ARG 42 11.994 -11.556 5.106
245 2HH1 ARG 42 2HH2 ARG 42 11.598 -11.603 3.420
246 1HH2 ARG 42 1HH1 ARG 42 14.335 -13.590 2.554
247 2HH2 ARG 42 2HH1 ARG 42 12.923 -12.771 1.969
248 H GLU 43 H GLU 43 13.491 -6.795 8.812
249 HA GLU 43 HA GLU 43 13.237 -5.733 10.901
250 1HB GLU 43 2HB GLU 43 11.338 -7.952 10.632
251 2HB GLU 43 1HB GLU 43 11.657 -7.536 12.313
252 1HG GLU 43 2HG GLU 43 9.893 -6.095 11.720
253 2HG GLU 43 1HG GLU 43 11.327 -5.085 11.559
254 H GLY 44 H GLY 44 15.657 -6.366 11.157
255 1HA GLY 44 2HA GLY 44 16.118 -7.266 13.834
256 2HA GLY 44 1HA GLY 44 16.505 -8.577 12.715
257 H GLN 45 HN GLN 45 17.106 -5.058 13.066
258 HA GLN 45 HA GLN 45 19.999 -5.512 12.615
259 1HB GLN 45 2HB GLN 45 19.893 -3.749 10.742
260 2HB GLN 45 1HB GLN 45 19.292 -5.362 10.355
261 1HG GLN 45 2HG GLN 45 17.284 -4.474 9.828
262 2HG GLN 45 1HG GLN 45 17.133 -3.832 11.464
263 1HE2 GLN 45 1HE2 GLN 45 18.223 -1.649 11.849
264 2HE2 GLN 45 2HE2 GLN 45 18.318 -0.557 10.559
Start of MODEL 18
1 1H ALA 1 1HT ALA 1 27.260 -8.222 -44.590
2 2H ALA 1 2HT ALA 1 26.668 -9.782 -44.267
3 3H ALA 1 3HT ALA 1 27.516 -9.461 -45.706
4 HA ALA 1 HA ALA 1 28.559 -9.759 -42.957
5 1HB ALA 1 1HB ALA 1 28.446 -11.575 -44.760
6 2HB ALA 1 2HB ALA 1 30.049 -11.275 -44.087
7 3HB ALA 1 3HB ALA 1 29.616 -10.619 -45.667
8 H LEU 2 H LEU 2 30.956 -9.195 -42.808
9 HA LEU 2 HA LEU 2 32.747 -7.664 -42.974
10 1HB LEU 2 2HB LEU 2 31.767 -8.090 -45.589
11 2HB LEU 2 1HB LEU 2 31.937 -6.342 -45.437
12 HG LEU 2 HG LEU 2 34.116 -8.332 -44.720
13 1HD1 LEU 2 1HD1 LEU 2 33.509 -8.232 -47.178
14 2HD1 LEU 2 2HD1 LEU 2 35.165 -7.747 -46.815
15 3HD1 LEU 2 3HD1 LEU 2 33.941 -6.524 -47.148
16 1HD2 LEU 2 1HD2 LEU 2 33.888 -5.322 -44.773
17 2HD2 LEU 2 2HD2 LEU 2 35.457 -6.100 -44.978
18 3HD2 LEU 2 3HD2 LEU 2 34.533 -6.356 -43.498
19 H ALA 3 H ALA 3 32.064 -6.346 -41.230
20 HA ALA 3 HA ALA 3 30.656 -3.840 -42.005
21 1HB ALA 3 1HB ALA 3 30.277 -5.729 -39.692
22 2HB ALA 3 2HB ALA 3 29.058 -5.060 -40.778
23 3HB ALA 3 3HB ALA 3 29.798 -4.039 -39.546
24 H ARG 4 H ARG 4 32.210 -2.248 -41.830
25 HA ARG 4 HA ARG 4 33.698 -1.989 -39.305
26 1HB ARG 4 2HB ARG 4 35.846 -1.756 -40.726
27 2HB ARG 4 1HB ARG 4 35.218 -3.381 -40.463
28 1HG ARG 4 2HG ARG 4 34.622 -3.653 -42.654
29 2HG ARG 4 1HG ARG 4 34.161 -1.961 -42.848
30 1HD ARG 4 2HD ARG 4 37.059 -2.807 -42.553
31 2HD ARG 4 1HD ARG 4 36.258 -2.679 -44.135
32 HE ARG 4 HE ARG 4 35.776 -0.302 -42.520
33 1HH1 ARG 4 1HH2 ARG 4 38.123 -1.912 -44.503
34 2HH1 ARG 4 2HH2 ARG 4 38.906 -0.454 -44.992
35 1HH2 ARG 4 1HH1 ARG 4 36.792 1.604 -43.182
36 2HH2 ARG 4 2HH1 ARG 4 38.147 1.544 -44.258
37 H CYS 5 H CYS 5 32.125 -0.117 -39.400
38 HA CYS 5 HA CYS 5 33.349 2.182 -40.891
39 1HB CYS 5 2HB CYS 5 30.900 2.983 -41.044
40 2HB CYS 5 1HB CYS 5 31.373 1.654 -42.098
41 HA PRO 6 HA PRO 6 33.465 3.710 -36.714
42 1HB PRO 6 2HB PRO 6 34.304 6.248 -37.304
43 2HB PRO 6 1HB PRO 6 35.382 4.838 -37.292
44 1HG PRO 6 2HG PRO 6 34.092 6.211 -39.600
45 2HG PRO 6 1HG PRO 6 35.727 5.548 -39.454
46 1HD PRO 6 2HD PRO 6 33.728 4.264 -40.766
47 2HD PRO 6 1HD PRO 6 35.047 3.405 -39.934
48 H GLY 7 H GLY 7 31.974 5.761 -39.257
49 1HA GLY 7 2HA GLY 7 30.253 7.088 -37.286
50 2HA GLY 7 1HA GLY 7 30.222 7.346 -39.030
51 H CYS 8 H CYS 8 29.756 4.410 -37.021
52 HA CYS 8 HA CYS 8 27.152 4.004 -38.461
53 1HB CYS 8 2HB CYS 8 29.448 2.234 -37.755
54 2HB CYS 8 1HB CYS 8 27.837 1.516 -37.704
55 H GLY 9 H GLY 9 28.815 3.885 -35.340
56 1HA GLY 9 2HA GLY 9 27.517 4.461 -33.313
57 2HA GLY 9 1HA GLY 9 26.155 3.586 -34.012
58 H GLN 10 H GLN 10 28.073 3.287 -31.536
59 HA GLN 10 HA GLN 10 29.024 1.503 -30.305
60 1HB GLN 10 2HB GLN 10 26.392 1.075 -30.987
61 2HB GLN 10 1HB GLN 10 27.142 -0.409 -31.575
62 1HG GLN 10 2HG GLN 10 26.622 -0.940 -29.345
63 2HG GLN 10 1HG GLN 10 28.317 -0.466 -29.249
64 1HE2 GLN 10 1HE2 GLN 10 25.763 -0.167 -27.376
65 2HE2 GLN 10 2HE2 GLN 10 25.903 1.437 -26.842
66 H GLY 11 H GLY 11 30.604 1.931 -32.529
67 1HA GLY 11 2HA GLY 11 30.944 -0.612 -33.973
68 2HA GLY 11 1HA GLY 11 31.894 0.854 -34.227
69 H VAL 12 H VAL 12 33.017 1.420 -31.860
70 HA VAL 12 HA VAL 12 34.279 -1.099 -30.854
71 HB VAL 12 HB VAL 12 35.569 -0.053 -32.744
72 1HG1 VAL 12 1HG1 VAL 12 36.482 2.139 -30.959
73 2HG1 VAL 12 2HG1 VAL 12 34.892 2.335 -31.694
74 3HG1 VAL 12 3HG1 VAL 12 36.313 2.109 -32.712
75 1HG2 VAL 12 1HG2 VAL 12 36.560 -1.306 -30.679
76 2HG2 VAL 12 2HG2 VAL 12 37.157 0.286 -30.212
77 3HG2 VAL 12 3HG2 VAL 12 37.654 -0.427 -31.747
78 H GLN 13 H GLN 13 32.338 0.293 -29.422
79 HA GLN 13 HA GLN 13 33.567 2.239 -27.623
80 1HB GLN 13 2HB GLN 13 31.105 1.969 -28.483
81 2HB GLN 13 1HB GLN 13 30.959 0.814 -27.159
82 1HG GLN 13 2HG GLN 13 32.183 2.886 -25.879
83 2HG GLN 13 1HG GLN 13 31.225 3.761 -27.073
84 1HE2 GLN 13 1HE2 GLN 13 30.733 0.928 -24.863
85 2HE2 GLN 13 2HE2 GLN 13 29.182 1.409 -24.373
86 H ALA 14 H ALA 14 33.615 -1.160 -27.776
87 HA ALA 14 HA ALA 14 34.217 -1.348 -24.841
88 1HB ALA 14 1HB ALA 14 32.960 -3.428 -26.670
89 2HB ALA 14 2HB ALA 14 32.052 -2.396 -25.562
90 3HB ALA 14 3HB ALA 14 33.198 -3.584 -24.934
91 H GLY 15 H GLY 15 36.124 -2.468 -24.329
92 1HA GLY 15 2HA GLY 15 37.474 -4.143 -26.309
93 2HA GLY 15 1HA GLY 15 38.300 -2.612 -26.011
94 H CYS 16 H CYS 16 37.398 -5.700 -24.598
95 HA CYS 16 HA CYS 16 38.751 -5.022 -22.035
96 1HB CYS 16 2HB CYS 16 37.530 -7.658 -22.897
97 2HB CYS 16 1HB CYS 16 37.786 -7.069 -21.255
98 HA PRO 17 HA PRO 17 42.469 -7.094 -23.267
99 1HB PRO 17 2HB PRO 17 43.485 -7.685 -20.786
100 2HB PRO 17 1HB PRO 17 43.470 -6.046 -21.454
101 1HG PRO 17 2HG PRO 17 41.695 -7.273 -19.418
102 2HG PRO 17 1HG PRO 17 42.284 -5.610 -19.553
103 1HD PRO 17 2HD PRO 17 39.759 -6.466 -20.276
104 2HD PRO 17 1HD PRO 17 40.540 -4.975 -20.851
105 H GLY 18 H GLY 18 43.489 -9.312 -21.475
106 1HA GLY 18 2HA GLY 18 42.168 -11.529 -22.692
107 2HA GLY 18 1HA GLY 18 43.284 -11.633 -21.333
108 H GLY 19 H GLY 19 41.160 -9.614 -20.007
109 1HA GLY 19 2HA GLY 19 38.967 -11.523 -19.480
110 2HA GLY 19 1HA GLY 19 40.002 -11.125 -18.105
111 H CYS 20 H CYS 20 37.205 -10.216 -19.697
112 HA CYS 20 HA CYS 20 37.399 -7.316 -19.213
113 1HB CYS 20 2HB CYS 20 36.117 -8.648 -21.068
114 2HB CYS 20 1HB CYS 20 34.880 -8.853 -19.824
115 H VAL 21 H VAL 21 36.606 -10.032 -17.257
116 HA VAL 21 HA VAL 21 35.223 -8.189 -15.338
117 HB VAL 21 HB VAL 21 33.771 -9.849 -16.611
118 1HG1 VAL 21 1HG1 VAL 21 33.868 -12.187 -15.917
119 2HG1 VAL 21 2HG1 VAL 21 35.225 -11.836 -14.846
120 3HG1 VAL 21 3HG1 VAL 21 35.422 -11.702 -16.594
121 1HG2 VAL 21 1HG2 VAL 21 33.785 -10.446 -13.655
122 2HG2 VAL 21 2HG2 VAL 21 32.404 -10.286 -14.741
123 3HG2 VAL 21 3HG2 VAL 21 33.322 -8.857 -14.267
124 H GLU 22 H GLU 22 38.129 -9.192 -15.542
125 HA GLU 22 HA GLU 22 38.286 -10.708 -12.992
126 1HB GLU 22 2HB GLU 22 39.403 -11.208 -15.404
127 2HB GLU 22 1HB GLU 22 40.690 -10.246 -14.677
128 1HG GLU 22 2HG GLU 22 41.291 -12.338 -13.888
129 2HG GLU 22 1HG GLU 22 40.191 -11.854 -12.596
130 H GLU 23 H GLU 23 38.512 -7.529 -14.083
131 HA GLU 23 HA GLU 23 40.134 -6.786 -11.713
132 1HB GLU 23 2HB GLU 23 40.611 -6.249 -14.604
133 2HB GLU 23 1HB GLU 23 40.953 -4.926 -13.488
134 1HG GLU 23 2HG GLU 23 41.990 -7.363 -12.379
135 2HG GLU 23 1HG GLU 23 42.574 -7.201 -14.035
136 H GLU 24 H GLU 24 38.053 -5.529 -14.336
137 HA GLU 24 HA GLU 24 37.348 -3.052 -13.149
138 1HB GLU 24 2HB GLU 24 36.180 -4.948 -15.160
139 2HB GLU 24 1HB GLU 24 35.196 -3.589 -14.619
140 1HG GLU 24 2HG GLU 24 37.704 -2.463 -15.099
141 2HG GLU 24 1HG GLU 24 37.478 -3.599 -16.430
142 H ASP 25 H ASP 25 36.367 -2.822 -11.135
143 HA ASP 25 HA ASP 25 34.451 -4.935 -10.239
144 1HB ASP 25 2HB ASP 25 36.619 -3.886 -8.999
145 2HB ASP 25 1HB ASP 25 35.404 -2.733 -8.458
146 H GLY 26 H GLY 26 32.616 -4.159 -11.435
147 1HA GLY 26 2HA GLY 26 31.776 -1.369 -11.235
148 2HA GLY 26 1HA GLY 26 30.858 -2.668 -11.985
149 H GLY 27 H GLY 27 32.017 -1.889 -8.678
150 1HA GLY 27 2HA GLY 27 29.428 -1.552 -7.554
151 2HA GLY 27 1HA GLY 27 29.863 -3.249 -7.364
152 H SER 28 H SER 28 29.581 -2.173 -5.017
153 HA SER 28 HA SER 28 32.321 -1.989 -3.942
154 1HB SER 28 2HB SER 28 31.016 0.332 -4.749
155 2HB SER 28 1HB SER 28 30.650 0.266 -3.026
156 HG SER 28 HG SER 28 33.146 0.402 -4.343
157 HA PRO 29 HA PRO 29 30.281 -3.869 -0.501
158 1HB PRO 29 2HB PRO 29 31.849 -3.009 1.577
159 2HB PRO 29 1HB PRO 29 32.353 -4.263 0.427
160 1HG PRO 29 2HG PRO 29 33.064 -1.367 0.491
161 2HG PRO 29 1HG PRO 29 34.084 -2.772 0.142
162 1HD PRO 29 2HD PRO 29 33.094 -1.182 -1.812
163 2HD PRO 29 1HD PRO 29 33.371 -2.922 -2.045
164 H ALA 30 H ALA 30 31.137 -0.425 -0.086
165 HA ALA 30 HA ALA 30 28.859 -0.009 1.745
166 1HB ALA 30 1HB ALA 30 31.050 1.793 0.672
167 2HB ALA 30 2HB ALA 30 31.039 0.995 2.246
168 3HB ALA 30 3HB ALA 30 29.872 2.271 1.894
169 H GLU 31 H GLU 31 27.964 -0.763 -0.781
170 HA GLU 31 HA GLU 31 27.439 1.532 -2.484
171 1HB GLU 31 2HB GLU 31 27.621 -1.061 -2.964
172 2HB GLU 31 1HB GLU 31 25.909 -1.058 -2.547
173 1HG GLU 31 2HG GLU 31 25.336 0.340 -4.345
174 2HG GLU 31 1HG GLU 31 26.985 0.930 -4.543
175 H GLY 32 H GLY 32 25.991 0.383 0.423
176 1HA GLY 32 2HA GLY 32 24.232 1.640 1.518
177 2HA GLY 32 1HA GLY 32 23.674 2.182 -0.068
178 H CYS 33 H CYS 33 23.781 -0.596 2.114
179 HA CYS 33 HA CYS 33 22.109 -2.265 0.388
180 1HB CYS 33 2HB CYS 33 23.848 -2.683 2.453
181 2HB CYS 33 1HB CYS 33 22.304 -2.837 3.290
182 H ALA 34 H ALA 34 20.543 -0.217 0.305
183 HA ALA 34 HA ALA 34 18.529 -0.457 2.529
184 1HB ALA 34 1HB ALA 34 19.633 1.741 2.301
185 2HB ALA 34 2HB ALA 34 17.930 1.862 1.860
186 3HB ALA 34 3HB ALA 34 19.165 1.808 0.603
187 H GLU 35 H GLU 35 18.255 -2.441 0.733
188 HA GLU 35 HA GLU 35 15.855 -1.660 -0.849
189 1HB GLU 35 2HB GLU 35 18.459 -1.984 -1.901
190 2HB GLU 35 1HB GLU 35 17.582 -3.443 -2.357
191 1HG GLU 35 2HG GLU 35 16.006 -2.261 -3.612
192 2HG GLU 35 1HG GLU 35 16.266 -0.767 -2.710
193 H ALA 36 H ALA 36 15.530 -4.117 -2.159
194 HA ALA 36 HA ALA 36 14.646 -5.847 0.038
195 1HB ALA 36 1HB ALA 36 14.736 -6.574 -2.890
196 2HB ALA 36 2HB ALA 36 13.609 -5.342 -2.322
197 3HB ALA 36 3HB ALA 36 13.508 -6.982 -1.685
198 H GLU 37 H GLU 37 17.306 -5.739 -2.279
199 HA GLU 37 HA GLU 37 18.549 -8.045 -0.877
200 1HB GLU 37 2HB GLU 37 17.735 -7.735 -3.668
201 2HB GLU 37 1HB GLU 37 19.409 -8.258 -3.493
202 1HG GLU 37 2HG GLU 37 18.820 -10.269 -2.524
203 2HG GLU 37 1HG GLU 37 17.375 -9.600 -1.768
204 H GLY 38 H GLY 38 19.569 -6.001 -3.624
205 1HA GLY 38 2HA GLY 38 21.455 -4.643 -3.910
206 2HA GLY 38 1HA GLY 38 21.226 -4.187 -2.220
207 H CYS 39 H CYS 39 22.573 -5.078 -0.675
208 HA CYS 39 HA CYS 39 24.869 -6.668 -1.708
209 1HB CYS 39 2HB CYS 39 26.094 -5.674 0.030
210 2HB CYS 39 1HB CYS 39 24.952 -4.407 -0.403
211 H LEU 40 H LEU 40 21.964 -7.467 -0.416
212 HA LEU 40 HA LEU 40 21.149 -9.369 0.713
213 1HB LEU 40 2HB LEU 40 23.737 -10.038 -0.521
214 2HB LEU 40 1HB LEU 40 23.294 -11.109 0.806
215 HG LEU 40 HG LEU 40 21.245 -10.405 -1.278
216 1HD1 LEU 40 1HD1 LEU 40 21.970 -12.474 -2.507
217 2HD1 LEU 40 2HD1 LEU 40 23.422 -12.502 -1.508
218 3HD1 LEU 40 3HD1 LEU 40 23.133 -11.151 -2.605
219 1HD2 LEU 40 1HD2 LEU 40 20.391 -12.625 -0.659
220 2HD2 LEU 40 2HD2 LEU 40 20.598 -11.632 0.784
221 3HD2 LEU 40 3HD2 LEU 40 21.781 -12.882 0.393
222 H ARG 41 H ARG 41 22.301 -11.095 2.544
223 HA ARG 41 HA ARG 41 23.469 -9.357 4.658
224 1HB ARG 41 2HB ARG 41 20.986 -11.052 4.617
225 2HB ARG 41 1HB ARG 41 21.845 -10.834 6.148
226 1HG ARG 41 2HG ARG 41 21.145 -8.686 6.359
227 2HG ARG 41 1HG ARG 41 21.475 -8.322 4.665
228 1HD ARG 41 2HD ARG 41 19.145 -10.114 5.202
229 2HD ARG 41 1HD ARG 41 18.962 -8.402 5.636
230 HE ARG 41 HE ARG 41 20.192 -8.653 3.031
231 1HH1 ARG 41 1HH2 ARG 41 17.163 -8.894 4.710
232 2HH1 ARG 41 2HH2 ARG 41 16.215 -8.510 3.319
233 1HH2 ARG 41 1HH1 ARG 41 18.954 -8.146 1.222
234 2HH2 ARG 41 2HH1 ARG 41 17.227 -8.095 1.324
235 H ARG 42 H ARG 42 25.346 -10.309 5.370
236 HA ARG 42 HA ARG 42 25.511 -13.279 5.441
237 1HB ARG 42 2HB ARG 42 26.593 -12.023 3.439
238 2HB ARG 42 1HB ARG 42 27.810 -11.514 4.609
239 1HG ARG 42 2HG ARG 42 28.232 -13.888 5.178
240 2HG ARG 42 1HG ARG 42 27.053 -14.384 3.967
241 1HD ARG 42 2HD ARG 42 29.333 -14.536 3.035
242 2HD ARG 42 1HD ARG 42 28.441 -13.241 2.219
243 HE ARG 42 HE ARG 42 30.483 -12.824 4.367
244 1HH1 ARG 42 1HH2 ARG 42 28.401 -11.567 1.870
245 2HH1 ARG 42 2HH2 ARG 42 29.191 -10.032 1.810
246 1HH2 ARG 42 1HH1 ARG 42 31.495 -10.812 4.287
247 2HH2 ARG 42 2HH1 ARG 42 30.944 -9.608 3.173
248 H GLU 43 H GLU 43 24.914 -11.967 7.745
249 HA GLU 43 HA GLU 43 27.251 -11.072 9.217
250 1HB GLU 43 2HB GLU 43 25.547 -11.173 11.133
251 2HB GLU 43 1HB GLU 43 25.142 -10.113 9.790
252 1HG GLU 43 2HG GLU 43 24.169 -12.824 9.325
253 2HG GLU 43 1HG GLU 43 23.547 -12.167 10.838
254 H GLY 44 H GLY 44 28.556 -13.100 8.773
255 1HA GLY 44 2HA GLY 44 29.560 -14.704 10.394
256 2HA GLY 44 1HA GLY 44 27.921 -15.184 10.829
257 H GLN 45 HN GLN 45 26.798 -15.424 8.247
258 HA GLN 45 HA GLN 45 28.507 -17.500 6.928
259 1HB GLN 45 2HB GLN 45 26.485 -18.955 6.838
260 2HB GLN 45 1HB GLN 45 26.953 -18.585 8.494
261 1HG GLN 45 2HG GLN 45 25.226 -16.498 7.796
262 2HG GLN 45 1HG GLN 45 24.490 -17.924 7.075
263 1HE2 GLN 45 1HE2 GLN 45 26.370 -17.661 10.139
264 2HE2 GLN 45 2HE2 GLN 45 25.122 -18.249 11.125
Start of MODEL 19
1 1H ALA 1 1HT ALA 1 65.714 -6.774 -13.433
2 2H ALA 1 2HT ALA 1 64.377 -7.745 -13.840
3 3H ALA 1 3HT ALA 1 64.623 -6.254 -14.614
4 HA ALA 1 HA ALA 1 66.619 -7.068 -15.678
5 1HB ALA 1 1HB ALA 1 67.696 -8.707 -14.553
6 2HB ALA 1 2HB ALA 1 66.456 -9.830 -15.107
7 3HB ALA 1 3HB ALA 1 66.272 -9.017 -13.552
8 H LEU 2 H LEU 2 66.519 -8.830 -17.511
9 HA LEU 2 HA LEU 2 63.823 -8.742 -18.656
10 1HB LEU 2 2HB LEU 2 64.984 -9.525 -20.670
11 2HB LEU 2 1HB LEU 2 65.909 -8.224 -19.924
12 HG LEU 2 HG LEU 2 66.774 -10.678 -18.740
13 1HD1 LEU 2 1HD1 LEU 2 66.586 -10.717 -21.763
14 2HD1 LEU 2 2HD1 LEU 2 65.949 -11.913 -20.634
15 3HD1 LEU 2 3HD1 LEU 2 67.691 -11.743 -20.852
16 1HD2 LEU 2 1HD2 LEU 2 68.905 -10.008 -20.039
17 2HD2 LEU 2 2HD2 LEU 2 68.267 -8.832 -18.888
18 3HD2 LEU 2 3HD2 LEU 2 67.970 -8.629 -20.614
19 H ALA 3 H ALA 3 63.753 -11.110 -20.136
20 HA ALA 3 HA ALA 3 63.219 -13.399 -20.035
21 1HB ALA 3 1HB ALA 3 65.554 -13.210 -18.809
22 2HB ALA 3 2HB ALA 3 64.635 -14.714 -18.728
23 3HB ALA 3 3HB ALA 3 64.598 -13.583 -17.375
24 H ARG 4 H ARG 4 61.864 -11.127 -18.163
25 HA ARG 4 HA ARG 4 59.924 -11.033 -16.838
26 1HB ARG 4 2HB ARG 4 59.735 -13.907 -17.801
27 2HB ARG 4 1HB ARG 4 58.411 -12.977 -17.099
28 1HG ARG 4 2HG ARG 4 59.776 -11.607 -19.327
29 2HG ARG 4 1HG ARG 4 58.980 -13.110 -19.792
30 1HD ARG 4 2HD ARG 4 57.050 -12.011 -18.216
31 2HD ARG 4 1HD ARG 4 57.792 -10.546 -18.892
32 HE ARG 4 HE ARG 4 57.408 -12.565 -20.928
33 1HH1 ARG 4 1HH2 ARG 4 55.753 -10.163 -19.032
34 2HH1 ARG 4 2HH2 ARG 4 54.520 -9.906 -20.212
35 1HH2 ARG 4 1HH1 ARG 4 55.789 -12.235 -22.467
36 2HH2 ARG 4 2HH1 ARG 4 54.554 -11.061 -22.161
37 H CYS 5 H CYS 5 58.796 -12.410 -14.976
38 HA CYS 5 HA CYS 5 60.750 -13.933 -13.351
39 1HB CYS 5 2HB CYS 5 60.854 -12.319 -11.673
40 2HB CYS 5 1HB CYS 5 60.741 -11.290 -13.089
41 HA PRO 6 HA PRO 6 57.153 -16.117 -12.085
42 1HB PRO 6 2HB PRO 6 57.687 -16.678 -9.451
43 2HB PRO 6 1HB PRO 6 58.483 -17.503 -10.808
44 1HG PRO 6 2HG PRO 6 59.477 -15.263 -9.108
45 2HG PRO 6 1HG PRO 6 60.342 -16.680 -9.723
46 1HD PRO 6 2HD PRO 6 60.569 -14.223 -10.838
47 2HD PRO 6 1HD PRO 6 60.712 -15.725 -11.784
48 H GLY 7 H GLY 7 58.128 -13.388 -10.030
49 1HA GLY 7 2HA GLY 7 55.382 -13.146 -8.946
50 2HA GLY 7 1HA GLY 7 56.767 -12.165 -8.473
51 H CYS 8 H CYS 8 56.136 -12.623 -11.886
52 HA CYS 8 HA CYS 8 55.528 -9.719 -12.124
53 1HB CYS 8 2HB CYS 8 56.439 -11.938 -13.970
54 2HB CYS 8 1HB CYS 8 55.925 -10.375 -14.598
55 H GLY 9 H GLY 9 53.549 -12.069 -11.392
56 1HA GLY 9 2HA GLY 9 51.697 -12.100 -13.651
57 2HA GLY 9 1HA GLY 9 51.403 -12.789 -12.054
58 H GLN 10 H GLN 10 51.671 -10.603 -10.390
59 HA GLN 10 HA GLN 10 49.452 -8.847 -11.312
60 1HB GLN 10 2HB GLN 10 50.364 -9.528 -8.498
61 2HB GLN 10 1HB GLN 10 48.880 -8.689 -8.941
62 1HG GLN 10 2HG GLN 10 48.582 -10.925 -10.427
63 2HG GLN 10 1HG GLN 10 49.538 -11.586 -9.105
64 1HE2 GLN 10 1HE2 GLN 10 46.549 -9.695 -9.744
65 2HE2 GLN 10 2HE2 GLN 10 45.751 -10.191 -8.332
66 H GLY 11 H GLY 11 52.183 -8.221 -12.030
67 1HA GLY 11 2HA GLY 11 53.140 -6.185 -10.132
68 2HA GLY 11 1HA GLY 11 53.890 -6.599 -11.672
69 H VAL 12 H VAL 12 50.788 -5.204 -10.528
70 HA VAL 12 HA VAL 12 51.122 -3.054 -12.592
71 HB VAL 12 HB VAL 12 48.603 -3.325 -12.959
72 1HG1 VAL 12 1HG1 VAL 12 50.752 -4.559 -14.156
73 2HG1 VAL 12 2HG1 VAL 12 49.095 -4.630 -14.754
74 3HG1 VAL 12 3HG1 VAL 12 49.726 -5.935 -13.750
75 1HG2 VAL 12 1HG2 VAL 12 48.320 -4.677 -10.810
76 2HG2 VAL 12 2HG2 VAL 12 49.063 -6.028 -11.667
77 3HG2 VAL 12 3HG2 VAL 12 47.538 -5.352 -12.240
78 H GLN 13 H GLN 13 51.788 -2.617 -9.925
79 HA GLN 13 HA GLN 13 49.579 -1.628 -8.342
80 1HB GLN 13 2HB GLN 13 52.494 -1.847 -8.243
81 2HB GLN 13 1HB GLN 13 51.878 -0.435 -7.395
82 1HG GLN 13 2HG GLN 13 50.372 -1.849 -6.075
83 2HG GLN 13 1HG GLN 13 50.901 -3.279 -6.964
84 1HE2 GLN 13 1HE2 GLN 13 51.347 -3.628 -4.360
85 2HE2 GLN 13 2HE2 GLN 13 52.957 -3.322 -3.919
86 H ALA 14 H ALA 14 48.644 -0.267 -10.182
87 HA ALA 14 HA ALA 14 50.075 2.351 -10.480
88 1HB ALA 14 1HB ALA 14 48.336 0.638 -12.187
89 2HB ALA 14 2HB ALA 14 49.724 1.629 -12.636
90 3HB ALA 14 3HB ALA 14 48.151 2.381 -12.378
91 H GLY 15 H GLY 15 46.631 1.362 -10.646
92 1HA GLY 15 2HA GLY 15 45.934 3.035 -8.351
93 2HA GLY 15 1HA GLY 15 45.424 3.717 -9.896
94 H CYS 16 H CYS 16 43.543 2.936 -10.812
95 HA CYS 16 HA CYS 16 42.296 0.532 -9.502
96 1HB CYS 16 2HB CYS 16 40.521 2.380 -10.956
97 2HB CYS 16 1HB CYS 16 40.358 1.722 -9.328
98 HA PRO 17 HA PRO 17 42.156 -1.363 -13.463
99 1HB PRO 17 2HB PRO 17 39.741 -2.674 -13.415
100 2HB PRO 17 1HB PRO 17 41.160 -3.213 -12.496
101 1HG PRO 17 2HG PRO 17 38.770 -1.705 -11.574
102 2HG PRO 17 1HG PRO 17 39.691 -2.972 -10.751
103 1HD PRO 17 2HD PRO 17 39.938 -0.313 -10.185
104 2HD PRO 17 1HD PRO 17 41.241 -1.497 -9.937
105 H GLY 18 H GLY 18 38.810 -0.203 -12.809
106 1HA GLY 18 2HA GLY 18 38.785 0.942 -15.573
107 2HA GLY 18 1HA GLY 18 37.339 0.472 -14.664
108 H GLY 19 H GLY 19 38.109 1.693 -12.160
109 1HA GLY 19 2HA GLY 19 38.868 4.401 -12.303
110 2HA GLY 19 1HA GLY 19 37.135 4.354 -12.620
111 H CYS 20 H CYS 20 38.982 5.122 -10.195
112 HA CYS 20 HA CYS 20 38.089 3.342 -8.056
113 1HB CYS 20 2HB CYS 20 39.653 5.885 -8.345
114 2HB CYS 20 1HB CYS 20 39.041 5.453 -6.746
115 H VAL 21 H VAL 21 35.730 3.790 -8.992
116 HA VAL 21 HA VAL 21 34.533 5.895 -7.242
117 HB VAL 21 HB VAL 21 34.646 6.729 -9.551
118 1HG1 VAL 21 1HG1 VAL 21 34.650 4.410 -10.583
119 2HG1 VAL 21 2HG1 VAL 21 33.646 5.607 -11.399
120 3HG1 VAL 21 3HG1 VAL 21 32.900 4.397 -10.354
121 1HG2 VAL 21 1HG2 VAL 21 32.579 7.075 -8.034
122 2HG2 VAL 21 2HG2 VAL 21 31.777 5.910 -9.091
123 3HG2 VAL 21 3HG2 VAL 21 32.401 7.421 -9.754
124 H GLU 22 H GLU 22 33.863 2.958 -9.165
125 HA GLU 22 HA GLU 22 31.538 2.334 -7.478
126 1HB GLU 22 2HB GLU 22 32.819 1.301 -9.989
127 2HB GLU 22 1HB GLU 22 31.722 0.244 -9.106
128 1HG GLU 22 2HG GLU 22 29.922 1.862 -9.276
129 2HG GLU 22 1HG GLU 22 31.009 3.062 -9.977
130 H GLU 23 H GLU 23 34.222 2.426 -6.253
131 HA GLU 23 HA GLU 23 34.225 -0.225 -5.011
132 1HB GLU 23 2HB GLU 23 36.887 -0.094 -5.595
133 2HB GLU 23 1HB GLU 23 35.726 -0.948 -6.607
134 1HG GLU 23 2HG GLU 23 35.774 0.672 -8.261
135 2HG GLU 23 1HG GLU 23 36.085 1.976 -7.120
136 H GLU 24 H GLU 24 36.781 2.246 -5.262
137 HA GLU 24 HA GLU 24 37.824 3.571 -3.637
138 1HB GLU 24 2HB GLU 24 35.046 3.885 -3.537
139 2HB GLU 24 1HB GLU 24 35.519 3.671 -1.858
140 1HG GLU 24 2HG GLU 24 37.280 5.470 -3.400
141 2HG GLU 24 1HG GLU 24 35.630 6.055 -3.194
142 H ASP 25 H ASP 25 37.590 3.643 -0.863
143 HA ASP 25 HA ASP 25 38.466 0.889 -0.085
144 1HB ASP 25 2HB ASP 25 39.129 3.704 0.718
145 2HB ASP 25 1HB ASP 25 39.415 2.396 1.865
146 H GLY 26 H GLY 26 37.673 -0.006 1.903
147 1HA GLY 26 2HA GLY 26 36.304 -0.085 3.855
148 2HA GLY 26 1HA GLY 26 35.645 1.499 3.434
149 H GLY 27 H GLY 27 33.943 1.597 1.841
150 1HA GLY 27 2HA GLY 27 32.046 0.783 0.709
151 2HA GLY 27 1HA GLY 27 32.833 -0.795 0.638
152 H SER 28 H SER 28 31.400 1.359 3.126
153 HA SER 28 HA SER 28 30.671 -0.942 4.798
154 1HB SER 28 2HB SER 28 29.520 1.043 6.061
155 2HB SER 28 1HB SER 28 31.280 0.995 5.972
156 HG SER 28 HG SER 28 29.590 2.357 4.126
157 HA PRO 29 HA PRO 29 26.756 -1.515 2.744
158 1HB PRO 29 2HB PRO 29 25.716 -3.326 4.517
159 2HB PRO 29 1HB PRO 29 26.928 -3.750 3.290
160 1HG PRO 29 2HG PRO 29 27.290 -3.216 6.199
161 2HG PRO 29 1HG PRO 29 28.065 -4.430 5.165
162 1HD PRO 29 2HD PRO 29 29.292 -2.119 5.909
163 2HD PRO 29 1HD PRO 29 29.642 -2.965 4.387
164 H ALA 30 H ALA 30 27.267 -0.158 5.866
165 HA ALA 30 HA ALA 30 24.453 0.240 6.532
166 1HB ALA 30 1HB ALA 30 26.197 -0.086 8.236
167 2HB ALA 30 2HB ALA 30 25.445 1.498 8.433
168 3HB ALA 30 3HB ALA 30 27.031 1.364 7.673
169 H GLU 31 H GLU 31 26.210 1.631 4.137
170 HA GLU 31 HA GLU 31 25.671 4.448 4.626
171 1HB GLU 31 2HB GLU 31 27.571 4.051 3.317
172 2HB GLU 31 1HB GLU 31 26.808 2.733 2.433
173 1HG GLU 31 2HG GLU 31 25.354 4.375 1.259
174 2HG GLU 31 1HG GLU 31 26.152 5.688 2.128
175 H GLY 32 H GLY 32 24.687 2.536 1.799
176 1HA GLY 32 2HA GLY 32 21.879 3.454 2.192
177 2HA GLY 32 1HA GLY 32 22.666 3.727 0.635
178 H CYS 33 H CYS 33 23.473 0.818 2.392
179 HA CYS 33 HA CYS 33 22.399 -0.821 0.212
180 1HB CYS 33 2HB CYS 33 24.481 -0.996 1.987
181 2HB CYS 33 1HB CYS 33 23.311 -2.086 2.729
182 H ALA 34 H ALA 34 20.147 0.191 0.821
183 HA ALA 34 HA ALA 34 18.785 -1.686 2.734
184 1HB ALA 34 1HB ALA 34 19.212 0.763 3.444
185 2HB ALA 34 2HB ALA 34 17.571 0.142 3.616
186 3HB ALA 34 3HB ALA 34 17.981 1.185 2.253
187 H GLU 35 H GLU 35 18.831 -2.496 0.178
188 HA GLU 35 HA GLU 35 16.491 -1.432 -1.298
189 1HB GLU 35 2HB GLU 35 18.587 -3.547 -1.902
190 2HB GLU 35 1HB GLU 35 17.368 -2.993 -3.048
191 1HG GLU 35 2HG GLU 35 19.138 -0.959 -1.719
192 2HG GLU 35 1HG GLU 35 19.772 -1.908 -3.065
193 H ALA 36 H ALA 36 16.084 -4.228 -2.457
194 HA ALA 36 HA ALA 36 14.455 -5.307 -0.176
195 1HB ALA 36 1HB ALA 36 14.050 -5.603 -3.167
196 2HB ALA 36 2HB ALA 36 13.292 -4.349 -2.184
197 3HB ALA 36 3HB ALA 36 12.913 -6.047 -1.896
198 H GLU 37 H GLU 37 17.351 -5.937 -1.469
199 HA GLU 37 HA GLU 37 17.213 -8.800 -0.871
200 1HB GLU 37 2HB GLU 37 16.388 -8.722 -3.189
201 2HB GLU 37 1HB GLU 37 17.819 -7.807 -3.678
202 1HG GLU 37 2HG GLU 37 19.258 -9.649 -3.356
203 2HG GLU 37 1HG GLU 37 18.096 -10.495 -2.332
204 H GLY 38 H GLY 38 19.267 -6.441 -2.632
205 1HA GLY 38 2HA GLY 38 21.778 -7.470 -2.200
206 2HA GLY 38 1HA GLY 38 21.470 -5.738 -2.188
207 H CYS 39 H CYS 39 20.135 -5.322 0.142
208 HA CYS 39 HA CYS 39 21.785 -6.588 2.297
209 1HB CYS 39 2HB CYS 39 21.447 -3.670 1.584
210 2HB CYS 39 1HB CYS 39 21.980 -4.181 3.187
211 H LEU 40 H LEU 40 19.522 -7.636 2.569
212 HA LEU 40 HA LEU 40 17.451 -7.762 3.721
213 1HB LEU 40 2HB LEU 40 19.455 -6.411 5.252
214 2HB LEU 40 1HB LEU 40 17.926 -5.593 5.563
215 HG LEU 40 HG LEU 40 18.312 -7.474 7.147
216 1HD1 LEU 40 1HD1 LEU 40 16.041 -7.906 5.178
217 2HD1 LEU 40 2HD1 LEU 40 16.002 -6.861 6.599
218 3HD1 LEU 40 3HD1 LEU 40 16.127 -8.608 6.794
219 1HD2 LEU 40 1HD2 LEU 40 19.491 -8.805 5.179
220 2HD2 LEU 40 2HD2 LEU 40 17.861 -9.422 4.908
221 3HD2 LEU 40 3HD2 LEU 40 18.652 -9.673 6.465
222 H ARG 41 H ARG 41 16.177 -5.378 5.045
223 HA ARG 41 HA ARG 41 15.579 -3.653 2.715
224 1HB ARG 41 2HB ARG 41 13.170 -4.045 3.046
225 2HB ARG 41 1HB ARG 41 14.004 -5.581 2.774
226 1HG ARG 41 2HG ARG 41 14.102 -5.087 5.580
227 2HG ARG 41 1HG ARG 41 12.448 -4.759 5.068
228 1HD ARG 41 2HD ARG 41 13.581 -7.192 3.851
229 2HD ARG 41 1HD ARG 41 13.428 -7.273 5.619
230 HE ARG 41 HE ARG 41 11.075 -6.135 4.260
231 1HH1 ARG 41 1HH2 ARG 41 12.663 -9.011 5.407
232 2HH1 ARG 41 2HH2 ARG 41 11.188 -9.885 5.595
233 1HH2 ARG 41 1HH1 ARG 41 9.174 -7.284 4.496
234 2HH2 ARG 41 2HH1 ARG 41 9.205 -8.921 5.072
235 H ARG 42 H ARG 42 14.544 -1.610 3.348
236 HA ARG 42 HA ARG 42 15.324 -0.778 6.065
237 1HB ARG 42 2HB ARG 42 15.576 0.357 3.608
238 2HB ARG 42 1HB ARG 42 14.084 1.123 4.155
239 1HG ARG 42 2HG ARG 42 15.913 1.159 6.353
240 2HG ARG 42 1HG ARG 42 16.784 1.730 4.929
241 1HD ARG 42 2HD ARG 42 14.548 3.148 4.553
242 2HD ARG 42 1HD ARG 42 14.411 2.942 6.306
243 HE ARG 42 HE ARG 42 16.346 4.262 6.593
244 1HH1 ARG 42 1HH2 ARG 42 15.972 3.291 3.280
245 2HH1 ARG 42 2HH2 ARG 42 17.186 4.369 2.687
246 1HH2 ARG 42 1HH1 ARG 42 17.951 5.657 5.824
247 2HH2 ARG 42 2HH1 ARG 42 18.325 5.691 4.137
248 H GLU 43 H GLU 43 12.433 -0.780 3.992
249 HA GLU 43 HA GLU 43 10.705 0.146 6.147
250 1HB GLU 43 2HB GLU 43 10.621 -0.314 3.247
251 2HB GLU 43 1HB GLU 43 9.103 -0.702 4.055
252 1HG GLU 43 2HG GLU 43 9.185 1.678 3.315
253 2HG GLU 43 1HG GLU 43 9.055 1.545 5.071
254 H GLY 44 H GLY 44 9.187 -1.105 7.252
255 1HA GLY 44 2HA GLY 44 9.815 -3.939 7.502
256 2HA GLY 44 1HA GLY 44 8.566 -3.071 8.385
257 H GLN 45 HN GLN 45 9.191 -4.010 4.970
258 HA GLN 45 HA GLN 45 6.548 -5.353 4.849
259 1HB GLN 45 2HB GLN 45 5.723 -3.872 3.081
260 2HB GLN 45 1HB GLN 45 6.146 -2.902 4.487
261 1HG GLN 45 2HG GLN 45 7.518 -1.675 3.176
262 2HG GLN 45 1HG GLN 45 8.496 -3.120 2.909
263 1HE2 GLN 45 1HE2 GLN 45 8.838 -3.184 0.692
264 2HE2 GLN 45 2HE2 GLN 45 7.633 -3.046 -0.491
Start of MODEL 20
1 1H ALA 1 1HT ALA 1 7.816 3.484 47.910
2 2H ALA 1 2HT ALA 1 7.984 5.054 47.291
3 3H ALA 1 3HT ALA 1 9.335 4.233 47.906
4 HA ALA 1 HA ALA 1 9.409 4.196 45.497
5 1HB ALA 1 1HB ALA 1 9.473 1.678 45.338
6 2HB ALA 1 2HB ALA 1 8.685 1.608 46.915
7 3HB ALA 1 3HB ALA 1 10.297 2.310 46.761
8 H LEU 2 H LEU 2 7.839 4.968 44.075
9 HA LEU 2 HA LEU 2 5.067 4.205 44.142
10 1HB LEU 2 2HB LEU 2 6.928 5.785 42.436
11 2HB LEU 2 1HB LEU 2 5.454 5.219 41.650
12 HG LEU 2 HG LEU 2 4.214 6.151 43.722
13 1HD1 LEU 2 1HD1 LEU 2 6.271 6.449 45.093
14 2HD1 LEU 2 2HD1 LEU 2 5.380 7.958 44.897
15 3HD1 LEU 2 3HD1 LEU 2 6.835 7.665 43.946
16 1HD2 LEU 2 1HD2 LEU 2 5.616 7.906 41.688
17 2HD2 LEU 2 2HD2 LEU 2 4.352 8.502 42.764
18 3HD2 LEU 2 3HD2 LEU 2 3.986 7.239 41.589
19 H ALA 3 H ALA 3 3.933 2.913 42.527
20 HA ALA 3 HA ALA 3 5.315 0.469 41.805
21 1HB ALA 3 1HB ALA 3 3.087 -0.152 40.962
22 2HB ALA 3 2HB ALA 3 2.566 1.530 41.074
23 3HB ALA 3 3HB ALA 3 2.945 0.622 42.539
24 H ARG 4 H ARG 4 6.953 1.818 40.421
25 HA ARG 4 HA ARG 4 5.867 2.203 37.675
26 1HB ARG 4 2HB ARG 4 7.791 3.776 37.398
27 2HB ARG 4 1HB ARG 4 6.695 4.257 38.689
28 1HG ARG 4 2HG ARG 4 8.434 4.268 40.119
29 2HG ARG 4 1HG ARG 4 8.634 2.536 39.862
30 1HD ARG 4 2HD ARG 4 10.089 2.969 37.921
31 2HD ARG 4 1HD ARG 4 9.857 4.715 38.133
32 HE ARG 4 HE ARG 4 11.315 4.646 39.993
33 1HH1 ARG 4 1HH2 ARG 4 10.223 1.448 39.127
34 2HH1 ARG 4 2HH2 ARG 4 11.320 0.657 40.211
35 1HH2 ARG 4 1HH1 ARG 4 12.737 3.602 41.401
36 2HH2 ARG 4 2HH1 ARG 4 12.737 1.875 41.499
37 H CYS 5 H CYS 5 6.283 0.308 36.582
38 HA CYS 5 HA CYS 5 9.119 -0.574 36.382
39 1HB CYS 5 2HB CYS 5 8.260 -1.916 38.187
40 2HB CYS 5 1HB CYS 5 6.759 -2.233 37.317
41 HA PRO 6 HA PRO 6 7.292 -0.869 32.286
42 1HB PRO 6 2HB PRO 6 9.635 -0.525 30.927
43 2HB PRO 6 1HB PRO 6 8.728 0.817 31.649
44 1HG PRO 6 2HG PRO 6 11.245 -0.421 32.518
45 2HG PRO 6 1HG PRO 6 10.603 1.192 32.853
46 1HD PRO 6 2HD PRO 6 10.584 -1.081 34.578
47 2HD PRO 6 1HD PRO 6 9.863 0.520 34.871
48 H GLY 7 H GLY 7 9.958 -2.817 33.570
49 1HA GLY 7 2HA GLY 7 9.534 -4.796 31.376
50 2HA GLY 7 1HA GLY 7 11.004 -4.674 32.337
51 H CYS 8 H CYS 8 7.505 -5.312 32.794
52 HA CYS 8 HA CYS 8 8.150 -7.741 34.317
53 1HB CYS 8 2HB CYS 8 6.677 -6.722 36.261
54 2HB CYS 8 1HB CYS 8 8.392 -6.336 36.161
55 H GLY 9 H GLY 9 6.300 -9.118 34.540
56 1HA GLY 9 2HA GLY 9 3.982 -9.696 34.310
57 2HA GLY 9 1HA GLY 9 3.689 -8.136 33.541
58 H GLN 10 H GLN 10 3.533 -8.148 31.338
59 HA GLN 10 HA GLN 10 5.035 -10.084 29.726
60 1HB GLN 10 2HB GLN 10 2.887 -10.917 28.672
61 2HB GLN 10 1HB GLN 10 3.124 -11.415 30.346
62 1HG GLN 10 2HG GLN 10 1.689 -9.489 31.069
63 2HG GLN 10 1HG GLN 10 1.376 -9.135 29.369
64 1HE2 GLN 10 1HE2 GLN 10 1.199 -11.944 31.638
65 2HE2 GLN 10 2HE2 GLN 10 -0.212 -12.584 30.949
66 H GLY 11 H GLY 11 4.807 -7.098 29.981
67 1HA GLY 11 2HA GLY 11 3.488 -6.263 27.478
68 2HA GLY 11 1HA GLY 11 4.309 -5.201 28.623
69 H VAL 12 H VAL 12 5.156 -7.952 26.500
70 HA VAL 12 HA VAL 12 7.566 -6.391 25.614
71 HB VAL 12 HB VAL 12 7.290 -9.376 26.162
72 1HG1 VAL 12 1HG1 VAL 12 9.261 -7.783 24.700
73 2HG1 VAL 12 2HG1 VAL 12 9.071 -9.536 24.776
74 3HG1 VAL 12 3HG1 VAL 12 9.985 -8.690 26.025
75 1HG2 VAL 12 1HG2 VAL 12 7.399 -8.324 28.276
76 2HG2 VAL 12 2HG2 VAL 12 8.497 -7.073 27.693
77 3HG2 VAL 12 3HG2 VAL 12 9.085 -8.718 27.923
78 H GLN 13 H GLN 13 6.177 -9.529 24.609
79 HA GLN 13 HA GLN 13 5.700 -10.341 22.456
80 1HB GLN 13 2HB GLN 13 4.158 -7.956 23.161
81 2HB GLN 13 1HB GLN 13 4.145 -8.322 21.445
82 1HG GLN 13 2HG GLN 13 3.658 -10.766 22.214
83 2HG GLN 13 1HG GLN 13 3.182 -10.016 23.736
84 1HE2 GLN 13 1HE2 GLN 13 1.715 -7.872 23.190
85 2HE2 GLN 13 2HE2 GLN 13 0.448 -8.188 22.105
86 H ALA 14 H ALA 14 8.264 -8.888 22.542
87 HA ALA 14 HA ALA 14 8.470 -7.080 20.286
88 1HB ALA 14 1HB ALA 14 10.892 -7.400 20.689
89 2HB ALA 14 2HB ALA 14 10.533 -8.767 21.743
90 3HB ALA 14 3HB ALA 14 10.026 -7.141 22.203
91 H GLY 15 H GLY 15 8.470 -10.565 20.576
92 1HA GLY 15 2HA GLY 15 7.944 -11.573 18.236
93 2HA GLY 15 1HA GLY 15 9.487 -10.840 17.785
94 H CYS 16 H CYS 16 11.154 -11.374 19.823
95 HA CYS 16 HA CYS 16 11.418 -14.314 19.658
96 1HB CYS 16 2HB CYS 16 13.628 -13.714 20.863
97 2HB CYS 16 1HB CYS 16 13.420 -13.149 19.208
98 HA PRO 17 HA PRO 17 9.644 -14.609 23.740
99 1HB PRO 17 2HB PRO 17 9.630 -17.343 23.859
100 2HB PRO 17 1HB PRO 17 8.419 -16.413 22.957
101 1HG PRO 17 2HG PRO 17 10.784 -17.905 21.964
102 2HG PRO 17 1HG PRO 17 9.195 -17.680 21.219
103 1HD PRO 17 2HD PRO 17 11.476 -16.302 20.501
104 2HD PRO 17 1HD PRO 17 9.813 -15.744 20.199
105 H GLY 18 H GLY 18 11.787 -13.700 24.504
106 1HA GLY 18 2HA GLY 18 13.418 -13.970 26.223
107 2HA GLY 18 1HA GLY 18 13.213 -15.719 26.112
108 H GLY 19 H GLY 19 13.725 -16.223 23.454
109 1HA GLY 19 2HA GLY 19 16.613 -16.005 23.339
110 2HA GLY 19 1HA GLY 19 15.581 -16.714 22.095
111 H CYS 20 H CYS 20 16.407 -13.512 23.453
112 HA CYS 20 HA CYS 20 15.998 -12.309 20.739
113 1HB CYS 20 2HB CYS 20 16.204 -11.107 23.528
114 2HB CYS 20 1HB CYS 20 15.895 -10.184 22.052
115 H VAL 21 H VAL 21 17.857 -12.047 19.584
116 HA VAL 21 HA VAL 21 20.452 -11.801 21.044
117 HB VAL 21 HB VAL 21 19.928 -12.460 18.133
118 1HG1 VAL 21 1HG1 VAL 21 22.208 -11.802 18.561
119 2HG1 VAL 21 2HG1 VAL 21 22.190 -13.561 18.425
120 3HG1 VAL 21 3HG1 VAL 21 22.276 -12.798 20.013
121 1HG2 VAL 21 1HG2 VAL 21 18.833 -14.233 19.222
122 2HG2 VAL 21 2HG2 VAL 21 19.926 -14.177 20.606
123 3HG2 VAL 21 3HG2 VAL 21 20.481 -14.847 19.073
124 H GLU 22 H GLU 22 18.234 -9.853 19.304
125 HA GLU 22 HA GLU 22 20.194 -8.097 18.061
126 1HB GLU 22 2HB GLU 22 17.514 -8.671 17.753
127 2HB GLU 22 1HB GLU 22 17.467 -7.094 18.544
128 1HG GLU 22 2HG GLU 22 18.110 -6.061 16.648
129 2HG GLU 22 1HG GLU 22 19.511 -7.115 16.502
130 H GLU 23 H GLU 23 21.007 -8.281 20.673
131 HA GLU 23 HA GLU 23 19.970 -5.897 22.101
132 1HB GLU 23 2HB GLU 23 20.287 -8.320 23.043
133 2HB GLU 23 1HB GLU 23 21.990 -7.875 23.131
134 1HG GLU 23 2HG GLU 23 21.659 -6.442 24.863
135 2HG GLU 23 1HG GLU 23 20.129 -5.854 24.214
136 H GLU 24 H GLU 24 22.772 -7.120 20.392
137 HA GLU 24 HA GLU 24 24.630 -5.134 21.425
138 1HB GLU 24 2HB GLU 24 26.104 -6.153 19.674
139 2HB GLU 24 1HB GLU 24 25.344 -7.365 20.701
140 1HG GLU 24 2HG GLU 24 23.963 -8.134 19.016
141 2HG GLU 24 1HG GLU 24 23.874 -6.558 18.225
142 H ASP 25 H ASP 25 25.854 -4.461 18.859
143 HA ASP 25 HA ASP 25 24.187 -2.152 18.127
144 1HB ASP 25 2HB ASP 25 26.962 -3.110 17.811
145 2HB ASP 25 1HB ASP 25 26.357 -2.216 16.418
146 H GLY 26 H GLY 26 25.540 -4.995 16.392
147 1HA GLY 26 2HA GLY 26 23.542 -5.996 14.950
148 2HA GLY 26 1HA GLY 26 23.695 -4.448 14.122
149 H GLY 27 H GLY 27 26.217 -6.671 15.384
150 1HA GLY 27 2HA GLY 27 28.008 -7.717 14.272
151 2HA GLY 27 1HA GLY 27 27.021 -7.674 12.809
152 H SER 28 H SER 28 28.274 -6.746 11.245
153 HA SER 28 HA SER 28 29.365 -4.024 11.755
154 1HB SER 28 2HB SER 28 30.914 -6.295 11.970
155 2HB SER 28 1HB SER 28 31.167 -5.838 10.287
156 HG SER 28 HG SER 28 31.734 -3.746 11.027
157 HA PRO 29 HA PRO 29 27.377 -4.645 7.592
158 1HB PRO 29 2HB PRO 29 25.667 -2.509 7.758
159 2HB PRO 29 1HB PRO 29 25.261 -4.127 8.363
160 1HG PRO 29 2HG PRO 29 26.142 -1.717 9.860
161 2HG PRO 29 1HG PRO 29 24.976 -2.970 10.314
162 1HD PRO 29 2HD PRO 29 27.548 -2.839 11.263
163 2HD PRO 29 1HD PRO 29 26.588 -4.331 11.182
164 H ALA 30 H ALA 30 29.736 -3.863 7.195
165 HA ALA 30 HA ALA 30 30.057 -0.957 6.841
166 1HB ALA 30 1HB ALA 30 31.807 -2.496 7.791
167 2HB ALA 30 2HB ALA 30 32.368 -1.571 6.396
168 3HB ALA 30 3HB ALA 30 31.916 -3.266 6.210
169 H GLU 31 H GLU 31 28.127 -1.304 5.143
170 HA GLU 31 HA GLU 31 29.377 -1.249 2.487
171 1HB GLU 31 2HB GLU 31 28.833 -3.629 2.934
172 2HB GLU 31 1HB GLU 31 27.153 -3.179 3.218
173 1HG GLU 31 2HG GLU 31 27.054 -3.814 0.982
174 2HG GLU 31 1HG GLU 31 27.357 -2.089 0.814
175 H GLY 32 H GLY 32 26.033 -1.585 3.707
176 1HA GLY 32 2HA GLY 32 24.705 0.582 3.929
177 2HA GLY 32 1HA GLY 32 25.396 1.017 2.364
178 H CYS 33 H CYS 33 23.180 -1.224 3.985
179 HA CYS 33 HA CYS 33 22.187 -2.201 1.357
180 1HB CYS 33 2HB CYS 33 22.605 -3.380 3.811
181 2HB CYS 33 1HB CYS 33 20.873 -3.058 3.868
182 H ALA 34 H ALA 34 20.703 -0.855 0.414
183 HA ALA 34 HA ALA 34 18.766 0.618 2.164
184 1HB ALA 34 1HB ALA 34 19.686 1.019 -0.705
185 2HB ALA 34 2HB ALA 34 20.184 1.975 0.692
186 3HB ALA 34 3HB ALA 34 18.515 2.043 0.128
187 H GLU 35 H GLU 35 18.954 -1.270 -0.870
188 HA GLU 35 HA GLU 35 16.041 -1.520 -1.109
189 1HB GLU 35 2HB GLU 35 18.305 -2.977 -2.518
190 2HB GLU 35 1HB GLU 35 16.636 -2.847 -3.077
191 1HG GLU 35 2HG GLU 35 17.027 -0.272 -2.939
192 2HG GLU 35 1HG GLU 35 18.741 -0.691 -2.927
193 H ALA 36 H ALA 36 15.326 -3.991 -1.559
194 HA ALA 36 HA ALA 36 15.607 -5.349 1.021
195 1HB ALA 36 1HB ALA 36 13.578 -5.150 -0.619
196 2HB ALA 36 2HB ALA 36 13.842 -6.689 0.200
197 3HB ALA 36 3HB ALA 36 14.349 -6.484 -1.476
198 H GLU 37 H GLU 37 16.736 -5.907 -2.302
199 HA GLU 37 HA GLU 37 18.470 -8.116 -1.282
200 1HB GLU 37 2HB GLU 37 16.461 -8.363 -3.043
201 2HB GLU 37 1HB GLU 37 17.733 -7.874 -4.166
202 1HG GLU 37 2HG GLU 37 19.075 -9.751 -3.645
203 2HG GLU 37 1HG GLU 37 18.201 -10.067 -2.149
204 H GLY 38 H GLY 38 19.120 -5.227 -1.335
205 1HA GLY 38 2HA GLY 38 20.938 -4.855 -3.620
206 2HA GLY 38 1HA GLY 38 20.677 -3.706 -2.302
207 H CYS 39 H CYS 39 21.178 -6.402 -0.583
208 HA CYS 39 HA CYS 39 23.982 -5.717 -0.058
209 1HB CYS 39 2HB CYS 39 21.826 -7.429 1.088
210 2HB CYS 39 1HB CYS 39 23.482 -7.950 1.409
211 H LEU 40 H LEU 40 24.565 -6.304 -2.401
212 HA LEU 40 HA LEU 40 24.584 -9.082 -3.218
213 1HB LEU 40 2HB LEU 40 25.283 -6.442 -4.235
214 2HB LEU 40 1HB LEU 40 26.496 -7.636 -4.687
215 HG LEU 40 HG LEU 40 24.680 -7.468 -6.375
216 1HD1 LEU 40 1HD1 LEU 40 24.250 -9.851 -6.578
217 2HD1 LEU 40 2HD1 LEU 40 24.608 -10.100 -4.868
218 3HD1 LEU 40 3HD1 LEU 40 25.891 -9.620 -5.979
219 1HD2 LEU 40 1HD2 LEU 40 22.531 -7.319 -5.738
220 2HD2 LEU 40 2HD2 LEU 40 23.049 -7.401 -4.056
221 3HD2 LEU 40 3HD2 LEU 40 22.635 -8.879 -4.923
222 H ARG 41 H ARG 41 27.152 -9.475 -4.185
223 HA ARG 41 HA ARG 41 29.328 -10.167 -3.592
224 1HB ARG 41 2HB ARG 41 29.103 -8.468 -1.113
225 2HB ARG 41 1HB ARG 41 30.522 -8.787 -2.111
226 1HG ARG 41 2HG ARG 41 28.174 -7.332 -3.307
227 2HG ARG 41 1HG ARG 41 29.301 -6.459 -2.277
228 1HD ARG 41 2HD ARG 41 31.088 -7.712 -3.873
229 2HD ARG 41 1HD ARG 41 29.717 -7.592 -5.000
230 HE ARG 41 HE ARG 41 30.330 -5.134 -3.462
231 1HH1 ARG 41 1HH2 ARG 41 30.750 -6.939 -6.404
232 2HH1 ARG 41 2HH2 ARG 41 31.099 -5.542 -7.356
233 1HH2 ARG 41 1HH1 ARG 41 30.775 -3.314 -4.716
234 2HH2 ARG 41 2HH1 ARG 41 31.105 -3.486 -6.404
235 H ARG 42 H ARG 42 26.623 -10.837 -1.669
236 HA ARG 42 HA ARG 42 26.149 -12.476 -0.080
237 1HB ARG 42 2HB ARG 42 27.910 -13.478 -1.998
238 2HB ARG 42 1HB ARG 42 28.613 -13.993 -0.465
239 1HG ARG 42 2HG ARG 42 26.340 -14.855 0.200
240 2HG ARG 42 1HG ARG 42 25.789 -14.486 -1.437
241 1HD ARG 42 2HD ARG 42 27.757 -15.967 -2.251
242 2HD ARG 42 1HD ARG 42 27.835 -16.554 -0.577
243 HE ARG 42 HE ARG 42 25.678 -17.552 -0.838
244 1HH1 ARG 42 1HH2 ARG 42 26.546 -15.562 -3.566
245 2HH1 ARG 42 2HH2 ARG 42 25.242 -16.124 -4.549
246 1HH2 ARG 42 1HH1 ARG 42 23.971 -18.276 -2.120
247 2HH2 ARG 42 2HH1 ARG 42 23.776 -17.666 -3.729
248 H GLU 43 H GLU 43 28.030 -10.127 0.666
249 HA GLU 43 HA GLU 43 29.647 -11.329 2.813
250 1HB GLU 43 2HB GLU 43 29.205 -8.540 1.724
251 2HB GLU 43 1HB GLU 43 30.221 -8.853 3.129
252 1HG GLU 43 2HG GLU 43 30.619 -10.112 0.397
253 2HG GLU 43 1HG GLU 43 31.544 -8.746 1.024
254 H GLY 44 H GLY 44 28.087 -12.102 4.315
255 1HA GLY 44 2HA GLY 44 26.788 -10.013 5.942
256 2HA GLY 44 1HA GLY 44 25.685 -11.140 5.144
257 H GLN 45 HN GLN 45 28.603 -11.136 7.204
258 HA GLN 45 HA GLN 45 27.422 -13.407 8.753
259 1HB GLN 45 2HB GLN 45 29.620 -14.567 8.598
260 2HB GLN 45 1HB GLN 45 28.922 -14.312 7.000
261 1HG GLN 45 2HG GLN 45 30.642 -12.983 6.361
262 2HG GLN 45 1HG GLN 45 30.573 -12.053 7.860
263 1HE2 GLN 45 1HE2 GLN 45 31.149 -13.949 9.807
264 2HE2 GLN 45 2HE2 GLN 45 32.696 -14.601 9.544