Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
14457 | 1wrg RC | 6350 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1H ALA 1 4.319 -30.790 -8.554
2 HA ALA 1 HA ALA 1 5.947 -32.572 -10.045
3 1HB ALA 1 1HB ALA 1 7.031 -33.559 -7.818
4 2HB ALA 1 2HB ALA 1 7.000 -31.852 -7.375
5 3HB ALA 1 3HB ALA 1 7.851 -32.370 -8.830
6 H GLU 2 H GLU 2 5.007 -32.853 -6.630
7 HA GLU 2 HA GLU 2 3.238 -35.066 -7.367
8 1HB GLU 2 2HB GLU 2 4.919 -35.487 -5.624
9 2HB GLU 2 1HB GLU 2 4.240 -34.188 -4.653
10 1HG GLU 2 2HG GLU 2 2.101 -35.448 -4.574
11 2HG GLU 2 1HG GLU 2 2.907 -36.778 -5.404
12 H VAL 3 H VAL 3 3.220 -31.874 -5.950
13 HA VAL 3 HA VAL 3 0.622 -31.920 -4.854
14 HB VAL 3 HB VAL 3 0.750 -29.399 -5.110
15 1HG1 VAL 3 1HG1 VAL 3 3.071 -30.743 -3.731
16 2HG1 VAL 3 2HG1 VAL 3 1.438 -30.608 -3.078
17 3HG1 VAL 3 3HG1 VAL 3 2.401 -29.156 -3.354
18 1HG2 VAL 3 1HG2 VAL 3 3.620 -29.828 -5.851
19 2HG2 VAL 3 2HG2 VAL 3 2.649 -28.358 -5.950
20 3HG2 VAL 3 3HG2 VAL 3 2.381 -29.671 -7.097
21 H LYS 4 H LYS 4 -1.273 -30.782 -5.646
22 HA LYS 4 HA LYS 4 -1.572 -29.968 -8.328
23 1HB LYS 4 2HB LYS 4 -3.101 -31.875 -9.023
24 2HB LYS 4 1HB LYS 4 -1.378 -32.224 -9.006
25 1HG LYS 4 2HG LYS 4 -1.643 -33.300 -6.807
26 2HG LYS 4 1HG LYS 4 -3.380 -33.004 -6.896
27 1HD LYS 4 2HD LYS 4 -2.928 -34.227 -9.280
28 2HD LYS 4 1HD LYS 4 -1.731 -35.021 -8.256
29 1HE LYS 4 2HE LYS 4 -3.297 -36.087 -7.027
30 2HE LYS 4 1HE LYS 4 -4.417 -34.727 -7.086
31 1HZ LYS 4 1HZ LYS 4 -3.967 -36.168 -9.579
32 2HZ LYS 4 2HZ LYS 4 -5.388 -35.490 -8.962
33 3HZ LYS 4 3HZ LYS 4 -4.844 -36.983 -8.382
34 H GLN 5 H GLN 5 -2.786 -28.299 -7.633
35 HA GLN 5 HA GLN 5 -4.409 -27.151 -6.441
36 1HB GLN 5 2HB GLN 5 -6.147 -29.118 -7.927
37 2HB GLN 5 1HB GLN 5 -6.550 -27.469 -7.470
38 1HG GLN 5 2HG GLN 5 -5.486 -26.580 -9.231
39 2HG GLN 5 1HG GLN 5 -4.161 -27.740 -9.151
40 1HE2 GLN 5 1HE2 GLN 5 -4.049 -28.463 -11.182
41 2HE2 GLN 5 2HE2 GLN 5 -5.347 -29.208 -12.043
42 H GLU 6 H GLU 6 -3.399 -29.133 -4.739
43 HA GLU 6 HA GLU 6 -5.596 -30.572 -3.553
44 1HB GLU 6 2HB GLU 6 -2.918 -30.993 -3.596
45 2HB GLU 6 1HB GLU 6 -3.093 -30.239 -2.016
46 1HG GLU 6 2HG GLU 6 -5.120 -32.062 -1.994
47 2HG GLU 6 1HG GLU 6 -3.883 -32.898 -2.934
48 H SER 7 H SER 7 -4.980 -30.257 -0.815
49 HA SER 7 HA SER 7 -6.582 -28.027 -0.172
50 1HB SER 7 2HB SER 7 -5.747 -28.525 2.208
51 2HB SER 7 1HB SER 7 -6.621 -29.811 1.376
52 HG SER 7 HG SER 7 -3.808 -29.561 1.657
53 H LEU 8 H LEU 8 -3.141 -28.455 -0.481
54 HA LEU 8 HA LEU 8 -2.283 -26.201 0.968
55 1HB LEU 8 2HB LEU 8 -0.226 -26.367 -0.441
56 2HB LEU 8 1HB LEU 8 -0.672 -27.835 0.406
57 HG LEU 8 HG LEU 8 -1.903 -28.233 -1.991
58 1HD1 LEU 8 1HD1 LEU 8 -1.148 -26.575 -3.335
59 2HD1 LEU 8 2HD1 LEU 8 0.207 -27.687 -3.524
60 3HD1 LEU 8 3HD1 LEU 8 0.328 -26.333 -2.400
61 1HD2 LEU 8 1HD2 LEU 8 -0.195 -29.599 -0.554
62 2HD2 LEU 8 2HD2 LEU 8 0.972 -28.980 -1.722
63 3HD2 LEU 8 3HD2 LEU 8 -0.396 -29.947 -2.272
64 H SER 9 H SER 9 -4.046 -26.360 -1.924
65 HA SER 9 HA SER 9 -3.024 -24.234 -3.405
66 1HB SER 9 2HB SER 9 -5.660 -25.590 -3.193
67 2HB SER 9 1HB SER 9 -5.652 -23.995 -3.944
68 HG SER 9 HG SER 9 -5.122 -25.139 -5.643
69 H GLY 10 H GLY 10 -4.853 -24.278 -0.460
70 1HA GLY 10 2HA GLY 10 -5.649 -21.515 -0.579
71 2HA GLY 10 1HA GLY 10 -5.779 -22.583 0.813
72 H ILE 11 H ILE 11 -2.897 -23.305 0.606
73 HA ILE 11 HA ILE 11 -1.898 -21.181 2.262
74 HB ILE 11 HB ILE 11 -0.344 -23.526 1.168
75 1HG1 ILE 11 2HG1 ILE 11 -1.977 -23.342 3.712
76 2HG1 ILE 11 1HG1 ILE 11 -2.380 -24.314 2.300
77 1HG2 ILE 11 1HG2 ILE 11 0.681 -21.417 2.387
78 2HG2 ILE 11 2HG2 ILE 11 1.280 -23.047 2.697
79 3HG2 ILE 11 3HG2 ILE 11 0.152 -22.292 3.825
80 1HD1 ILE 11 1HD1 ILE 11 0.281 -24.873 3.310
81 2HD1 ILE 11 2HD1 ILE 11 -1.052 -25.971 2.948
82 3HD1 ILE 11 3HD1 ILE 11 -0.982 -25.152 4.509
83 H THR 12 H THR 12 -0.822 -22.605 -0.828
84 HA THR 12 HA THR 12 1.147 -20.656 -1.353
85 HB THR 12 HB THR 12 -0.352 -22.265 -3.423
86 HG1 THR 12 1HG THR 12 1.740 -23.027 -1.682
87 1HG2 THR 12 1HG2 THR 12 1.908 -22.329 -4.501
88 2HG2 THR 12 2HG2 THR 12 2.410 -21.094 -3.347
89 3HG2 THR 12 3HG2 THR 12 1.114 -20.755 -4.494
90 H GLU 13 H GLU 13 -2.153 -21.030 -2.642
91 HA GLU 13 HA GLU 13 -2.109 -18.580 -4.081
92 1HB GLU 13 2HB GLU 13 -3.671 -20.704 -4.277
93 2HB GLU 13 1HB GLU 13 -4.677 -19.794 -3.159
94 1HG GLU 13 2HG GLU 13 -4.109 -17.910 -5.033
95 2HG GLU 13 1HG GLU 13 -4.168 -19.377 -6.009
96 H GLY 14 H GLY 14 -2.744 -19.403 -0.786
97 1HA GLY 14 2HA GLY 14 -4.309 -17.099 -0.135
98 2HA GLY 14 1HA GLY 14 -3.518 -18.177 1.007
99 H GLU 15 H GLU 15 -0.936 -17.963 0.631
100 HA GLU 15 HA GLU 15 -0.261 -15.439 1.686
101 1HB GLU 15 2HB GLU 15 2.078 -16.178 1.434
102 2HB GLU 15 1HB GLU 15 1.074 -17.421 2.168
103 1HG GLU 15 2HG GLU 15 0.848 -18.275 -0.289
104 2HG GLU 15 1HG GLU 15 2.323 -17.341 -0.534
105 H ALA 16 H ALA 16 0.083 -16.853 -1.533
106 HA ALA 16 HA ALA 16 1.487 -14.769 -2.762
107 1HB ALA 16 1HB ALA 16 1.225 -16.932 -3.819
108 2HB ALA 16 2HB ALA 16 0.582 -15.675 -4.874
109 3HB ALA 16 3HB ALA 16 -0.517 -16.692 -3.943
110 H LYS 17 H LYS 17 -1.993 -15.345 -2.439
111 HA LYS 17 HA LYS 17 -2.878 -13.109 -3.887
112 1HB LYS 17 2HB LYS 17 -4.319 -15.014 -3.246
113 2HB LYS 17 1HB LYS 17 -4.228 -14.503 -1.566
114 1HG LYS 17 2HG LYS 17 -5.145 -12.453 -3.470
115 2HG LYS 17 1HG LYS 17 -6.223 -13.832 -3.241
116 1HD LYS 17 2HD LYS 17 -5.054 -12.464 -0.857
117 2HD LYS 17 1HD LYS 17 -6.420 -11.730 -1.697
118 1HE LYS 17 2HE LYS 17 -7.867 -13.363 -1.059
119 2HE LYS 17 1HE LYS 17 -6.624 -14.613 -1.053
120 1HZ LYS 17 1HZ LYS 17 -7.462 -12.820 1.075
121 2HZ LYS 17 2HZ LYS 17 -5.799 -13.110 0.969
122 3HZ LYS 17 3HZ LYS 17 -6.872 -14.404 1.161
123 H GLU 18 H GLU 18 -1.846 -13.513 -0.566
124 HA GLU 18 HA GLU 18 -2.796 -11.043 0.429
125 1HB GLU 18 2HB GLU 18 -1.706 -13.226 1.579
126 2HB GLU 18 1HB GLU 18 -0.307 -12.160 1.583
127 1HG GLU 18 2HG GLU 18 -2.853 -11.021 2.555
128 2HG GLU 18 1HG GLU 18 -2.084 -12.244 3.565
129 H PHE 19 H PHE 19 0.490 -12.013 -0.548
130 HA PHE 19 HA PHE 19 1.693 -9.524 -0.318
131 1HB PHE 19 2HB PHE 19 2.328 -12.082 -1.582
132 2HB PHE 19 1HB PHE 19 3.040 -10.705 -2.418
133 HD1 PHE 19 1HD PHE 19 5.260 -10.536 -1.874
134 HD2 PHE 19 2HD PHE 19 2.451 -11.453 1.190
135 HE1 PHE 19 1HE PHE 19 7.063 -10.451 -0.201
136 HE2 PHE 19 2HE PHE 19 4.249 -11.370 2.868
137 HZ PHE 19 HZ PHE 19 6.558 -10.868 2.173
138 H HIS 20 H HIS 20 -0.212 -10.881 -2.934
139 HA HIS 20 HA HIS 20 0.438 -8.879 -4.851
140 1HB HIS 20 2HB HIS 20 -1.851 -10.839 -4.659
141 2HB HIS 20 1HB HIS 20 -1.635 -9.742 -6.020
142 HD1 HIS 20 1HD HIS 20 1.620 -10.226 -5.816
143 HD2 HIS 20 2HD HIS 20 -1.398 -13.018 -6.413
144 HE1 HIS 20 1HE HIS 20 2.728 -12.182 -6.945
145 HE2 HIS 20 2HE HIS 20 0.899 -13.895 -7.214
146 H LYS 21 H LYS 21 -2.530 -9.435 -2.948
147 HA LYS 21 HA LYS 21 -3.834 -7.076 -3.660
148 1HB LYS 21 2HB LYS 21 -4.456 -9.245 -2.120
149 2HB LYS 21 1HB LYS 21 -4.309 -7.987 -0.901
150 1HG LYS 21 2HG LYS 21 -6.588 -8.098 -1.569
151 2HG LYS 21 1HG LYS 21 -5.906 -6.610 -2.228
152 1HD LYS 21 2HD LYS 21 -5.600 -7.725 -4.396
153 2HD LYS 21 1HD LYS 21 -6.314 -9.195 -3.731
154 1HE LYS 21 2HE LYS 21 -8.432 -8.259 -3.597
155 2HE LYS 21 1HE LYS 21 -7.811 -6.609 -3.617
156 1HZ LYS 21 1HZ LYS 21 -7.374 -6.744 -5.910
157 2HZ LYS 21 2HZ LYS 21 -8.920 -7.401 -5.713
158 3HZ LYS 21 3HZ LYS 21 -7.592 -8.423 -5.948
159 H ILE 22 H ILE 22 -1.779 -7.736 -0.832
160 HA ILE 22 HA ILE 22 -1.974 -5.215 0.348
161 HB ILE 22 HB ILE 22 -0.092 -5.802 1.666
162 1HG1 ILE 22 2HG1 ILE 22 0.561 -7.957 -0.344
163 2HG1 ILE 22 1HG1 ILE 22 1.427 -6.434 -0.182
164 1HG2 ILE 22 1HG2 ILE 22 -0.688 -8.498 1.747
165 2HG2 ILE 22 2HG2 ILE 22 -2.152 -7.743 1.119
166 3HG2 ILE 22 3HG2 ILE 22 -1.478 -7.213 2.660
167 1HD1 ILE 22 1HD1 ILE 22 1.717 -7.235 2.298
168 2HD1 ILE 22 2HD1 ILE 22 2.782 -7.815 1.018
169 3HD1 ILE 22 3HD1 ILE 22 1.447 -8.822 1.579
170 H PHE 23 H PHE 23 0.142 -6.448 -2.172
171 HA PHE 23 HA PHE 23 1.952 -4.297 -2.272
172 1HB PHE 23 2HB PHE 23 1.249 -6.583 -3.972
173 2HB PHE 23 1HB PHE 23 1.824 -5.187 -4.875
174 HD1 PHE 23 1HD PHE 23 4.014 -5.458 -5.481
175 HD2 PHE 23 2HD PHE 23 2.783 -6.709 -1.604
176 HE1 PHE 23 1HE PHE 23 6.337 -6.064 -4.944
177 HE2 PHE 23 2HE PHE 23 5.105 -7.316 -1.059
178 HZ PHE 23 HZ PHE 23 6.886 -6.993 -2.730
179 H THR 24 H THR 24 -0.698 -4.988 -4.557
180 HA THR 24 HA THR 24 -0.705 -2.541 -5.843
181 HB THR 24 HB THR 24 -2.159 -4.886 -5.986
182 HG1 THR 24 1HG THR 24 -1.566 -3.648 -7.743
183 1HG2 THR 24 1HG2 THR 24 -4.501 -4.234 -6.125
184 2HG2 THR 24 2HG2 THR 24 -4.104 -2.653 -5.453
185 3HG2 THR 24 3HG2 THR 24 -3.887 -4.105 -4.477
186 H SER 25 H SER 25 -2.628 -3.561 -3.039
187 HA SER 25 HA SER 25 -4.124 -1.263 -2.659
188 1HB SER 25 2HB SER 25 -4.246 -3.520 -1.420
189 2HB SER 25 1HB SER 25 -3.016 -2.847 -0.349
190 HG SER 25 HG SER 25 -5.576 -1.737 -0.879
191 H SER 26 H SER 26 -0.991 -2.072 -1.163
192 HA SER 26 HA SER 26 -0.634 0.277 0.272
193 1HB SER 26 2HB SER 26 1.863 -0.265 0.006
194 2HB SER 26 1HB SER 26 0.845 -1.484 0.773
195 HG SER 26 HG SER 26 1.987 -1.472 -1.794
196 H ILE 27 H ILE 27 0.076 -0.419 -3.109
197 HA ILE 27 HA ILE 27 1.560 1.922 -3.644
198 HB ILE 27 HB ILE 27 -0.113 0.312 -5.577
199 1HG1 ILE 27 2HG1 ILE 27 2.846 0.026 -5.354
200 2HG1 ILE 27 1HG1 ILE 27 1.853 -0.741 -4.119
201 1HG2 ILE 27 1HG2 ILE 27 1.915 1.244 -7.050
202 2HG2 ILE 27 2HG2 ILE 27 1.782 2.561 -5.884
203 3HG2 ILE 27 3HG2 ILE 27 0.388 2.106 -6.865
204 1HD1 ILE 27 1HD1 ILE 27 0.723 -1.373 -6.628
205 2HD1 ILE 27 2HD1 ILE 27 1.517 -2.447 -5.477
206 3HD1 ILE 27 3HD1 ILE 27 2.461 -1.649 -6.734
207 H LEU 28 H LEU 28 -1.841 1.172 -4.446
208 HA LEU 28 HA LEU 28 -2.486 3.745 -5.356
209 1HB LEU 28 2HB LEU 28 -4.435 1.824 -4.109
210 2HB LEU 28 1HB LEU 28 -4.757 3.041 -5.330
211 HG LEU 28 HG LEU 28 -2.766 1.159 -6.261
212 1HD1 LEU 28 1HD1 LEU 28 -5.451 -0.081 -5.765
213 2HD1 LEU 28 2HD1 LEU 28 -4.125 -0.254 -4.614
214 3HD1 LEU 28 3HD1 LEU 28 -3.945 -0.853 -6.263
215 1HD2 LEU 28 1HD2 LEU 28 -4.782 0.863 -7.950
216 2HD2 LEU 28 2HD2 LEU 28 -3.768 2.306 -7.954
217 3HD2 LEU 28 3HD2 LEU 28 -5.341 2.336 -7.156
218 H VAL 29 H VAL 29 -2.856 2.270 -2.169
219 HA VAL 29 HA VAL 29 -4.194 4.448 -0.981
220 HB VAL 29 HB VAL 29 -3.797 3.370 1.122
221 1HG1 VAL 29 1HG1 VAL 29 -5.498 2.184 0.202
222 2HG1 VAL 29 2HG1 VAL 29 -4.311 0.886 0.339
223 3HG1 VAL 29 3HG1 VAL 29 -4.548 1.706 -1.204
224 1HG2 VAL 29 1HG2 VAL 29 -2.356 1.222 1.079
225 2HG2 VAL 29 2HG2 VAL 29 -1.558 2.790 1.209
226 3HG2 VAL 29 3HG2 VAL 29 -1.615 1.956 -0.342
227 H PHE 30 H PHE 30 -0.782 3.525 -1.214
228 HA PHE 30 HA PHE 30 0.259 5.479 0.519
229 1HB PHE 30 2HB PHE 30 1.633 3.622 -0.257
230 2HB PHE 30 1HB PHE 30 1.500 4.180 -1.921
231 HD1 PHE 30 1HD PHE 30 3.211 5.442 -2.798
232 HD2 PHE 30 2HD PHE 30 2.644 5.376 1.420
233 HE1 PHE 30 1HE PHE 30 5.248 6.793 -2.507
234 HE2 PHE 30 2HE PHE 30 4.677 6.728 1.718
235 HZ PHE 30 HZ PHE 30 5.982 7.437 -0.247
236 H PHE 31 H PHE 31 0.521 5.530 -3.028
237 HA PHE 31 HA PHE 31 1.000 8.280 -3.241
238 1HB PHE 31 2HB PHE 31 1.127 6.252 -4.984
239 2HB PHE 31 1HB PHE 31 -0.441 6.901 -5.450
240 HD1 PHE 31 1HD PHE 31 2.682 8.606 -4.348
241 HD2 PHE 31 2HD PHE 31 -0.156 7.991 -7.459
242 HE1 PHE 31 1HE PHE 31 3.802 10.325 -5.706
243 HE2 PHE 31 2HE PHE 31 0.959 9.709 -8.822
244 HZ PHE 31 HZ PHE 31 2.942 10.879 -7.946
245 H GLY 32 H GLY 32 -1.937 6.410 -3.029
246 1HA GLY 32 2HA GLY 32 -3.808 8.282 -3.927
247 2HA GLY 32 1HA GLY 32 -4.126 7.019 -2.745
248 H VAL 33 H VAL 33 -2.588 7.693 -0.636
249 HA VAL 33 HA VAL 33 -4.024 9.790 0.560
250 HB VAL 33 HB VAL 33 -2.195 7.675 1.272
251 1HG1 VAL 33 1HG1 VAL 33 -0.510 9.145 1.820
252 2HG1 VAL 33 2HG1 VAL 33 -1.344 8.861 3.347
253 3HG1 VAL 33 3HG1 VAL 33 -1.631 10.352 2.449
254 1HG2 VAL 33 1HG2 VAL 33 -4.189 9.294 2.810
255 2HG2 VAL 33 2HG2 VAL 33 -3.389 7.840 3.411
256 3HG2 VAL 33 3HG2 VAL 33 -4.452 7.748 2.005
257 H ALA 34 H ALA 34 -0.551 9.391 -0.089
258 HA ALA 34 HA ALA 34 0.358 11.903 0.491
259 1HB ALA 34 1HB ALA 34 1.988 11.441 -1.506
260 2HB ALA 34 2HB ALA 34 1.206 9.860 -1.519
261 3HB ALA 34 3HB ALA 34 2.037 10.421 -0.068
262 H ALA 35 H ALA 35 -1.406 10.828 -2.337
263 HA ALA 35 HA ALA 35 -1.051 13.138 -3.930
264 1HB ALA 35 1HB ALA 35 -1.784 11.326 -5.152
265 2HB ALA 35 2HB ALA 35 -3.274 12.252 -4.971
266 3HB ALA 35 3HB ALA 35 -2.974 10.854 -3.939
267 H PHE 36 H PHE 36 -4.200 12.134 -2.614
268 HA PHE 36 HA PHE 36 -5.308 14.699 -2.643
269 1HB PHE 36 2HB PHE 36 -6.644 12.628 -2.506
270 2HB PHE 36 1HB PHE 36 -6.070 12.373 -0.862
271 HD1 PHE 36 1HD PHE 36 -7.259 15.466 -2.556
272 HD2 PHE 36 2HD PHE 36 -7.905 12.595 0.517
273 HE1 PHE 36 1HE PHE 36 -9.130 16.813 -1.697
274 HE2 PHE 36 2HE PHE 36 -9.778 13.936 1.382
275 HZ PHE 36 HZ PHE 36 -10.393 16.049 0.274
276 H ALA 37 H ALA 37 -3.805 12.905 -0.017
277 HA ALA 37 HA ALA 37 -4.192 14.581 2.121
278 1HB ALA 37 1HB ALA 37 -2.313 13.526 3.155
279 2HB ALA 37 2HB ALA 37 -1.622 13.096 1.591
280 3HB ALA 37 3HB ALA 37 -3.105 12.318 2.143
281 H HIS 38 H HIS 38 -1.585 14.744 -0.300
282 HA HIS 38 HA HIS 38 -0.316 16.995 0.895
283 1HB HIS 38 2HB HIS 38 -0.105 15.682 -1.805
284 2HB HIS 38 1HB HIS 38 0.764 17.168 -1.442
285 HD1 HIS 38 1HD HIS 38 2.849 15.464 -1.942
286 HD2 HIS 38 2HD HIS 38 0.771 14.938 1.617
287 HE1 HIS 38 1HE HIS 38 4.369 14.104 -0.471
288 HE2 HIS 38 2HE HIS 38 3.048 13.712 1.638
289 H LEU 39 H LEU 39 -2.621 16.602 -1.759
290 HA LEU 39 HA LEU 39 -2.662 19.359 -2.464
291 1HB LEU 39 2HB LEU 39 -4.283 16.957 -3.159
292 2HB LEU 39 1HB LEU 39 -4.935 18.541 -3.531
293 HG LEU 39 HG LEU 39 -2.655 18.948 -4.707
294 1HD1 LEU 39 1HD1 LEU 39 -2.732 15.939 -4.797
295 2HD1 LEU 39 2HD1 LEU 39 -1.640 16.869 -3.773
296 3HD1 LEU 39 3HD1 LEU 39 -1.534 17.007 -5.527
297 1HD2 LEU 39 1HD2 LEU 39 -4.414 16.933 -6.056
298 2HD2 LEU 39 2HD2 LEU 39 -3.608 18.346 -6.739
299 3HD2 LEU 39 3HD2 LEU 39 -5.009 18.553 -5.687
300 H LEU 40 H LEU 40 -4.213 17.571 0.045
301 HA LEU 40 HA LEU 40 -6.294 19.596 0.346
302 1HB LEU 40 2HB LEU 40 -7.261 18.146 2.028
303 2HB LEU 40 1HB LEU 40 -6.969 17.269 0.539
304 HG LEU 40 HG LEU 40 -4.792 16.477 1.673
305 1HD1 LEU 40 1HD1 LEU 40 -4.441 17.564 3.617
306 2HD1 LEU 40 2HD1 LEU 40 -5.501 16.310 4.261
307 3HD1 LEU 40 3HD1 LEU 40 -6.155 17.899 3.864
308 1HD2 LEU 40 1HD2 LEU 40 -7.583 15.596 2.144
309 2HD2 LEU 40 2HD2 LEU 40 -6.314 14.840 3.107
310 3HD2 LEU 40 3HD2 LEU 40 -6.248 14.762 1.346
311 H VAL 41 H VAL 41 -3.251 18.707 1.755
312 HA VAL 41 HA VAL 41 -3.639 19.937 4.284
313 HB VAL 41 HB VAL 41 -1.088 20.056 4.309
314 1HG1 VAL 41 1HG1 VAL 41 -1.206 18.085 5.328
315 2HG1 VAL 41 2HG1 VAL 41 -1.553 17.247 3.816
316 3HG1 VAL 41 3HG1 VAL 41 -2.867 17.966 4.747
317 1HG2 VAL 41 1HG2 VAL 41 -1.249 18.262 1.918
318 2HG2 VAL 41 2HG2 VAL 41 0.161 19.054 2.618
319 3HG2 VAL 41 3HG2 VAL 41 -1.039 20.002 1.740
320 H TRP 42 H TRP 42 -3.030 21.191 1.138
321 HA TRP 42 HA TRP 42 -2.985 23.318 0.352
322 1HB TRP 42 2HB TRP 42 -4.370 24.630 1.508
323 2HB TRP 42 1HB TRP 42 -4.223 23.565 2.895
324 HD1 TRP 42 HD TRP 42 -2.613 24.351 4.882
325 HE1 TRP 42 1HE TRP 42 -1.612 26.644 5.482
326 HE3 TRP 42 3HE TRP 42 -3.438 26.782 0.459
327 HZ2 TRP 42 2HZ TRP 42 -1.226 29.153 4.247
328 HZ3 TRP 42 3HZ TRP 42 -2.724 29.127 0.253
329 HH2 TRP 42 HH TRP 42 -1.641 30.286 2.109
330 H ILE 43 H ILE 43 -0.640 21.897 2.006
331 HA ILE 43 HA ILE 43 1.177 24.200 1.721
332 HB ILE 43 HB ILE 43 0.885 23.639 4.091
333 1HG1 ILE 43 2HG1 ILE 43 3.342 23.176 4.592
334 2HG1 ILE 43 1HG1 ILE 43 3.570 23.033 2.852
335 1HG2 ILE 43 1HG2 ILE 43 1.926 20.929 3.284
336 2HG2 ILE 43 2HG2 ILE 43 0.325 21.305 3.920
337 3HG2 ILE 43 3HG2 ILE 43 1.746 21.486 4.947
338 1HD1 ILE 43 1HD1 ILE 43 2.174 25.464 3.649
339 2HD1 ILE 43 2HD1 ILE 43 3.545 25.241 2.561
340 3HD1 ILE 43 3HD1 ILE 43 3.805 25.328 4.303
341 H TRP 44 H TRP 44 0.779 20.710 1.458
342 HA TRP 44 HA TRP 44 2.100 19.081 0.514
343 1HB TRP 44 2HB TRP 44 0.816 20.013 -1.364
344 2HB TRP 44 1HB TRP 44 2.101 21.178 -1.666
345 HD1 TRP 44 HD TRP 44 3.276 17.699 -0.823
346 HE1 TRP 44 1HE TRP 44 4.183 16.561 -2.946
347 HE3 TRP 44 3HE TRP 44 1.692 21.093 -4.301
348 HZ2 TRP 44 2HZ TRP 44 4.221 17.039 -5.727
349 HZ3 TRP 44 3HZ TRP 44 2.205 20.678 -6.672
350 HH2 TRP 44 HH TRP 44 3.444 18.693 -7.369
351 H ARG 45 H ARG 45 3.907 19.225 1.939
352 HA ARG 45 HA ARG 45 6.380 19.403 0.690
353 1HB ARG 45 2HB ARG 45 5.505 21.945 1.102
354 2HB ARG 45 1HB ARG 45 6.389 21.657 2.593
355 1HG ARG 45 2HG ARG 45 7.803 22.704 0.918
356 2HG ARG 45 1HG ARG 45 8.383 21.087 1.321
357 1HD ARG 45 2HD ARG 45 6.623 20.695 -0.796
358 2HD ARG 45 1HD ARG 45 7.506 22.161 -1.220
359 HE ARG 45 HE ARG 45 8.500 19.524 -1.297
360 1HH1 ARG 45 1HH1 ARG 45 9.461 22.758 -0.404
361 2HH1 ARG 45 2HH1 ARG 45 11.142 22.478 -0.713
362 1HH2 ARG 45 1HH2 ARG 45 10.711 19.154 -1.701
363 2HH2 ARG 45 2HH2 ARG 45 11.851 20.432 -1.449
364 HA PRO 46 HA PRO 46 6.955 19.091 5.532
365 1HB PRO 46 2HB PRO 46 4.147 18.871 6.422
366 2HB PRO 46 1HB PRO 46 5.477 19.801 7.118
367 1HG PRO 46 2HG PRO 46 3.476 21.005 5.813
368 2HG PRO 46 1HG PRO 46 5.145 21.594 5.694
369 1HD PRO 46 2HD PRO 46 3.569 19.952 3.747
370 2HD PRO 46 1HD PRO 46 4.677 21.305 3.441
371 H TRP 47 H TRP 47 3.837 17.600 4.622
372 HA TRP 47 HA TRP 47 3.176 15.429 4.458
373 1HB TRP 47 2HB TRP 47 5.211 15.349 2.945
374 2HB TRP 47 1HB TRP 47 6.105 14.705 4.317
375 HD1 TRP 47 HD TRP 47 3.157 13.013 5.020
376 HE1 TRP 47 1HE TRP 47 2.933 10.747 3.823
377 HE3 TRP 47 3HE TRP 47 6.666 13.677 1.359
378 HZ2 TRP 47 2HZ TRP 47 4.090 9.415 1.620
379 HZ3 TRP 47 3HZ TRP 47 7.045 11.858 -0.253
380 HH2 TRP 47 HH TRP 47 5.783 9.771 -0.124
381 H VAL 48 H VAL 48 2.392 15.454 6.604
382 HA VAL 48 HA VAL 48 2.167 14.691 8.737
383 HB VAL 48 HB VAL 48 4.265 12.658 7.971
384 1HG1 VAL 48 1HG1 VAL 48 3.218 13.107 10.422
385 2HG1 VAL 48 2HG1 VAL 48 3.759 11.528 9.852
386 3HG1 VAL 48 3HG1 VAL 48 2.049 11.955 9.774
387 1HG2 VAL 48 1HG2 VAL 48 2.768 11.500 6.758
388 2HG2 VAL 48 2HG2 VAL 48 1.943 13.052 6.614
389 3HG2 VAL 48 3HG2 VAL 48 1.434 11.893 7.842
390 HA PRO 49 HA PRO 49 6.300 16.689 9.882
391 1HB PRO 49 2HB PRO 49 5.410 19.176 10.453
392 2HB PRO 49 1HB PRO 49 5.897 18.695 8.823
393 1HG PRO 49 2HG PRO 49 3.151 18.904 9.997
394 2HG PRO 49 1HG PRO 49 3.729 19.423 8.402
395 1HD PRO 49 2HD PRO 49 2.368 17.102 8.805
396 2HD PRO 49 1HD PRO 49 3.574 17.306 7.520
397 H GLY 50 H GLY 50 3.091 17.377 11.279
398 1HA GLY 50 2HA GLY 50 2.325 16.905 13.419
399 2HA GLY 50 1HA GLY 50 3.912 16.264 13.814
400 HA PRO 51 HA PRO 51 3.349 20.376 15.957
401 1HB PRO 51 2HB PRO 51 4.042 19.520 18.434
402 2HB PRO 51 1HB PRO 51 2.389 19.422 17.817
403 1HG PRO 51 2HG PRO 51 4.486 17.290 17.961
404 2HG PRO 51 1HG PRO 51 2.759 17.187 18.349
405 1HD PRO 51 2HD PRO 51 3.786 16.301 16.003
406 2HD PRO 51 1HD PRO 51 2.147 16.969 16.139
407 H ASN 52 H ASN 52 5.211 20.980 14.700
408 HA ASN 52 HA ASN 52 7.501 21.507 16.233
409 1HB ASN 52 2HB ASN 52 7.705 18.970 15.665
410 2HB ASN 52 1HB ASN 52 8.157 19.542 14.061
411 1HD2 ASN 52 1HD2 ASN 52 9.441 18.403 16.740
412 2HD2 ASN 52 2HD2 ASN 52 10.939 19.263 16.789
413 H GLY 53 H GLY 53 7.169 23.564 15.394
414 1HA GLY 53 2HA GLY 53 7.463 25.299 13.923
415 2HA GLY 53 1HA GLY 53 8.587 24.245 13.079
416 H TYR 54 H TYR 54 7.591 25.614 11.284
417 HA TYR 54 HA TYR 54 5.687 23.955 9.900
418 1HB TYR 54 2HB TYR 54 4.028 25.704 9.511
419 2HB TYR 54 1HB TYR 54 4.193 25.389 11.235
420 HD1 TYR 54 1HD TYR 54 6.089 26.947 12.377
421 HD2 TYR 54 2HD TYR 54 3.853 27.911 8.889
422 HE1 TYR 54 1HE TYR 54 6.507 29.337 12.777
423 HE2 TYR 54 2HE TYR 54 4.266 30.303 9.278
424 HH TYR 54 HH TYR 54 6.352 31.604 10.698
425 H SER 55 H SER 55 8.433 24.868 9.563
426 HA SER 55 HA SER 55 8.338 26.730 7.336
427 1HB SER 55 2HB SER 55 10.563 25.386 8.853
428 2HB SER 55 1HB SER 55 10.875 26.226 7.334
429 HG SER 55 HG SER 55 9.742 27.326 9.692
Start of MODEL 2
1 1H ALA 1 1H ALA 1 -3.138 -35.952 -3.027
2 HA ALA 1 HA ALA 1 -1.002 -35.034 -1.401
3 1HB ALA 1 1HB ALA 1 0.197 -36.686 -2.984
4 2HB ALA 1 2HB ALA 1 0.906 -35.094 -2.720
5 3HB ALA 1 3HB ALA 1 -0.003 -35.421 -4.196
6 H GLU 2 H GLU 2 -1.706 -34.621 -4.874
7 HA GLU 2 HA GLU 2 -2.067 -31.756 -4.403
8 1HB GLU 2 2HB GLU 2 -0.533 -32.435 -6.198
9 2HB GLU 2 1HB GLU 2 -1.841 -33.300 -6.993
10 1HG GLU 2 2HG GLU 2 -3.017 -30.968 -6.941
11 2HG GLU 2 1HG GLU 2 -1.367 -30.371 -6.763
12 H VAL 3 H VAL 3 -3.999 -30.801 -4.439
13 HA VAL 3 HA VAL 3 -6.220 -31.975 -5.892
14 HB VAL 3 HB VAL 3 -6.513 -31.455 -2.933
15 1HG1 VAL 3 1HG1 VAL 3 -8.626 -32.847 -3.391
16 2HG1 VAL 3 2HG1 VAL 3 -8.343 -32.454 -5.087
17 3HG1 VAL 3 3HG1 VAL 3 -8.605 -31.163 -3.915
18 1HG2 VAL 3 1HG2 VAL 3 -6.186 -34.072 -4.396
19 2HG2 VAL 3 2HG2 VAL 3 -6.691 -33.917 -2.713
20 3HG2 VAL 3 3HG2 VAL 3 -5.086 -33.377 -3.205
21 H LYS 4 H LYS 4 -5.264 -29.484 -3.546
22 HA LYS 4 HA LYS 4 -5.360 -27.188 -3.783
23 1HB LYS 4 2HB LYS 4 -5.770 -27.733 -6.326
24 2HB LYS 4 1HB LYS 4 -7.436 -27.331 -5.934
25 1HG LYS 4 2HG LYS 4 -6.824 -25.123 -5.271
26 2HG LYS 4 1HG LYS 4 -5.106 -25.509 -5.385
27 1HD LYS 4 2HD LYS 4 -6.963 -25.686 -7.744
28 2HD LYS 4 1HD LYS 4 -6.115 -24.198 -7.316
29 1HE LYS 4 2HE LYS 4 -3.972 -25.397 -7.484
30 2HE LYS 4 1HE LYS 4 -4.841 -26.854 -7.966
31 1HZ LYS 4 1HZ LYS 4 -5.210 -26.059 -10.029
32 2HZ LYS 4 2HZ LYS 4 -3.840 -25.123 -9.701
33 3HZ LYS 4 3HZ LYS 4 -5.383 -24.454 -9.520
34 H GLN 5 H GLN 5 -6.746 -28.633 -1.936
35 HA GLN 5 HA GLN 5 -8.742 -26.813 -1.129
36 1HB GLN 5 2HB GLN 5 -9.782 -28.428 -3.001
37 2HB GLN 5 1HB GLN 5 -10.030 -29.449 -1.591
38 1HG GLN 5 2HG GLN 5 -11.997 -28.295 -1.633
39 2HG GLN 5 1HG GLN 5 -11.043 -27.268 -0.564
40 1HE2 GLN 5 1HE2 GLN 5 -13.148 -27.181 -3.018
41 2HE2 GLN 5 2HE2 GLN 5 -12.691 -25.696 -3.772
42 H GLU 6 H GLU 6 -7.522 -30.120 -0.885
43 HA GLU 6 HA GLU 6 -8.385 -30.715 1.699
44 1HB GLU 6 2HB GLU 6 -6.050 -31.636 0.051
45 2HB GLU 6 1HB GLU 6 -6.245 -32.189 1.708
46 1HG GLU 6 2HG GLU 6 -8.383 -32.473 -0.383
47 2HG GLU 6 1HG GLU 6 -7.159 -33.703 -0.071
48 H SER 7 H SER 7 -5.346 -29.214 0.627
49 HA SER 7 HA SER 7 -5.153 -27.541 2.884
50 1HB SER 7 2HB SER 7 -3.224 -28.563 4.014
51 2HB SER 7 1HB SER 7 -4.632 -29.623 4.052
52 HG SER 7 HG SER 7 -2.350 -30.387 3.333
53 H LEU 8 H LEU 8 -4.932 -26.360 0.846
54 HA LEU 8 HA LEU 8 -2.220 -25.600 0.378
55 1HB LEU 8 2HB LEU 8 -3.727 -26.865 -1.908
56 2HB LEU 8 1HB LEU 8 -2.205 -26.012 -2.044
57 HG LEU 8 HG LEU 8 -1.409 -27.864 -0.322
58 1HD1 LEU 8 1HD1 LEU 8 -2.674 -29.697 -0.117
59 2HD1 LEU 8 2HD1 LEU 8 -3.076 -29.717 -1.834
60 3HD1 LEU 8 3HD1 LEU 8 -3.997 -28.702 -0.724
61 1HD2 LEU 8 1HD2 LEU 8 -0.658 -27.343 -2.694
62 2HD2 LEU 8 2HD2 LEU 8 -1.770 -28.614 -3.203
63 3HD2 LEU 8 3HD2 LEU 8 -0.429 -28.996 -2.123
64 H SER 9 H SER 9 -5.633 -25.380 -0.399
65 HA SER 9 HA SER 9 -5.652 -23.170 -2.073
66 1HB SER 9 2HB SER 9 -7.939 -22.758 -1.256
67 2HB SER 9 1HB SER 9 -7.672 -24.478 -1.543
68 HG SER 9 HG SER 9 -8.725 -23.972 0.480
69 H GLY 10 H GLY 10 -5.118 -23.410 1.360
70 1HA GLY 10 2HA GLY 10 -5.400 -20.617 1.918
71 2HA GLY 10 1HA GLY 10 -4.664 -21.822 2.967
72 H ILE 11 H ILE 11 -2.888 -22.609 0.612
73 HA ILE 11 HA ILE 11 -0.754 -20.772 1.261
74 HB ILE 11 HB ILE 11 -0.680 -23.014 -0.755
75 1HG1 ILE 11 2HG1 ILE 11 -0.078 -23.113 2.210
76 2HG1 ILE 11 1HG1 ILE 11 -1.451 -23.876 1.414
77 1HG2 ILE 11 1HG2 ILE 11 1.752 -23.005 -0.096
78 2HG2 ILE 11 2HG2 ILE 11 1.432 -21.491 0.751
79 3HG2 ILE 11 3HG2 ILE 11 1.199 -21.592 -0.995
80 1HD1 ILE 11 1HD1 ILE 11 0.318 -25.125 0.035
81 2HD1 ILE 11 2HD1 ILE 11 0.052 -25.611 1.709
82 3HD1 ILE 11 3HD1 ILE 11 1.443 -24.609 1.290
83 H THR 12 H THR 12 -2.514 -21.747 -1.669
84 HA THR 12 HA THR 12 -1.214 -19.972 -3.428
85 HB THR 12 HB THR 12 -3.586 -20.266 -4.640
86 HG1 THR 12 1HG THR 12 -4.748 -21.865 -3.864
87 1HG2 THR 12 1HG2 THR 12 -1.283 -21.272 -5.213
88 2HG2 THR 12 2HG2 THR 12 -2.741 -22.053 -5.826
89 3HG2 THR 12 3HG2 THR 12 -1.905 -22.722 -4.425
90 H GLU 13 H GLU 13 -4.306 -19.694 -1.684
91 HA GLU 13 HA GLU 13 -4.808 -17.037 -2.591
92 1HB GLU 13 2HB GLU 13 -6.685 -17.047 -1.115
93 2HB GLU 13 1HB GLU 13 -6.565 -18.658 -1.809
94 1HG GLU 13 2HG GLU 13 -6.768 -19.382 0.284
95 2HG GLU 13 1HG GLU 13 -5.082 -18.904 0.473
96 H GLY 14 H GLY 14 -3.094 -18.440 0.091
97 1HA GLY 14 2HA GLY 14 -3.016 -16.192 1.794
98 2HA GLY 14 1HA GLY 14 -1.854 -17.511 1.787
99 H GLU 15 H GLU 15 -0.433 -17.410 -0.345
100 HA GLU 15 HA GLU 15 1.168 -15.100 -0.106
101 1HB GLU 15 2HB GLU 15 2.377 -15.987 -2.076
102 2HB GLU 15 1HB GLU 15 2.124 -17.208 -0.834
103 1HG GLU 15 2HG GLU 15 -0.018 -17.734 -2.275
104 2HG GLU 15 1HG GLU 15 0.943 -16.982 -3.548
105 H ALA 16 H ALA 16 -1.202 -16.126 -2.517
106 HA ALA 16 HA ALA 16 -0.898 -14.027 -4.337
107 1HB ALA 16 1HB ALA 16 -3.463 -15.470 -3.680
108 2HB ALA 16 2HB ALA 16 -2.199 -16.112 -4.729
109 3HB ALA 16 3HB ALA 16 -3.062 -14.642 -5.184
110 H LYS 17 H LYS 17 -2.811 -14.302 -1.394
111 HA LYS 17 HA LYS 17 -4.177 -11.823 -1.691
112 1HB LYS 17 2HB LYS 17 -5.050 -13.624 -0.276
113 2HB LYS 17 1HB LYS 17 -3.651 -13.484 0.781
114 1HG LYS 17 2HG LYS 17 -5.346 -12.345 1.901
115 2HG LYS 17 1HG LYS 17 -4.388 -11.068 1.149
116 1HD LYS 17 2HD LYS 17 -6.064 -10.447 -0.225
117 2HD LYS 17 1HD LYS 17 -6.588 -12.109 -0.500
118 1HE LYS 17 2HE LYS 17 -7.336 -11.872 2.042
119 2HE LYS 17 1HE LYS 17 -7.414 -10.171 1.588
120 1HZ LYS 17 1HZ LYS 17 -8.708 -11.206 -0.449
121 2HZ LYS 17 2HZ LYS 17 -9.491 -10.809 0.996
122 3HZ LYS 17 3HZ LYS 17 -9.052 -12.413 0.686
123 H GLU 18 H GLU 18 -1.113 -12.799 -0.343
124 HA GLU 18 HA GLU 18 -0.604 -10.464 1.178
125 1HB GLU 18 2HB GLU 18 0.607 -12.868 0.988
126 2HB GLU 18 1HB GLU 18 1.695 -11.911 -0.008
127 1HG GLU 18 2HG GLU 18 1.795 -10.280 1.935
128 2HG GLU 18 1HG GLU 18 1.016 -11.541 2.890
129 H PHE 19 H PHE 19 0.875 -11.484 -1.900
130 HA PHE 19 HA PHE 19 2.062 -9.045 -2.505
131 1HB PHE 19 2HB PHE 19 1.745 -11.581 -3.764
132 2HB PHE 19 1HB PHE 19 1.355 -10.333 -4.943
133 HD1 PHE 19 1HD PHE 19 3.099 -9.743 -6.296
134 HD2 PHE 19 2HD PHE 19 3.908 -10.809 -2.256
135 HE1 PHE 19 1HE PHE 19 5.497 -9.354 -6.678
136 HE2 PHE 19 2HE PHE 19 6.308 -10.422 -2.631
137 HZ PHE 19 HZ PHE 19 7.106 -9.693 -4.844
138 H HIS 20 H HIS 20 -1.165 -10.256 -3.233
139 HA HIS 20 HA HIS 20 -1.883 -8.146 -4.995
140 1HB HIS 20 2HB HIS 20 -3.002 -10.411 -4.826
141 2HB HIS 20 1HB HIS 20 -3.779 -9.830 -3.357
142 HD1 HIS 20 1HD HIS 20 -3.816 -9.426 -7.073
143 HD2 HIS 20 2HD HIS 20 -5.853 -7.992 -3.746
144 HE1 HIS 20 1HE HIS 20 -5.846 -8.252 -7.982
145 HE2 HIS 20 2HE HIS 20 -7.112 -7.476 -5.946
146 H LYS 21 H LYS 21 -2.562 -8.742 -1.554
147 HA LYS 21 HA LYS 21 -4.046 -6.371 -1.152
148 1HB LYS 21 2HB LYS 21 -2.588 -8.202 0.747
149 2HB LYS 21 1HB LYS 21 -3.503 -6.805 1.296
150 1HG LYS 21 2HG LYS 21 -4.695 -9.002 -0.373
151 2HG LYS 21 1HG LYS 21 -4.708 -9.001 1.392
152 1HD LYS 21 2HD LYS 21 -6.712 -7.990 1.056
153 2HD LYS 21 1HD LYS 21 -5.690 -6.553 0.963
154 1HE LYS 21 2HE LYS 21 -6.043 -6.287 -1.249
155 2HE LYS 21 1HE LYS 21 -6.035 -8.022 -1.563
156 1HZ LYS 21 1HZ LYS 21 -8.273 -6.312 -0.693
157 2HZ LYS 21 2HZ LYS 21 -8.301 -7.975 -0.385
158 3HZ LYS 21 3HZ LYS 21 -8.210 -7.412 -1.977
159 H ILE 22 H ILE 22 -0.626 -7.147 -0.633
160 HA ILE 22 HA ILE 22 0.103 -4.709 0.540
161 HB ILE 22 HB ILE 22 2.373 -5.330 0.122
162 1HG1 ILE 22 2HG1 ILE 22 1.326 -7.420 -1.782
163 2HG1 ILE 22 1HG1 ILE 22 2.169 -5.947 -2.247
164 1HG2 ILE 22 1HG2 ILE 22 1.919 -6.670 1.843
165 2HG2 ILE 22 2HG2 ILE 22 2.022 -7.966 0.652
166 3HG2 ILE 22 3HG2 ILE 22 0.451 -7.294 1.090
167 1HD1 ILE 22 1HD1 ILE 22 3.242 -8.389 -0.911
168 2HD1 ILE 22 2HD1 ILE 22 4.068 -6.839 -0.747
169 3HD1 ILE 22 3HD1 ILE 22 3.826 -7.546 -2.346
170 H PHE 23 H PHE 23 0.128 -5.784 -2.841
171 HA PHE 23 HA PHE 23 1.308 -3.468 -3.924
172 1HB PHE 23 2HB PHE 23 0.814 -5.790 -5.016
173 2HB PHE 23 1HB PHE 23 -0.734 -5.066 -5.437
174 HD1 PHE 23 1HD PHE 23 -0.932 -3.679 -7.301
175 HD2 PHE 23 2HD PHE 23 2.930 -4.617 -5.778
176 HE1 PHE 23 1HE PHE 23 0.096 -2.629 -9.273
177 HE2 PHE 23 2HE PHE 23 3.966 -3.568 -7.749
178 HZ PHE 23 HZ PHE 23 2.548 -2.572 -9.500
179 H THR 24 H THR 24 -2.123 -4.437 -3.878
180 HA THR 24 HA THR 24 -3.210 -2.098 -4.869
181 HB THR 24 HB THR 24 -4.170 -4.503 -3.890
182 HG1 THR 24 1HG THR 24 -5.012 -3.340 -5.628
183 1HG2 THR 24 1HG2 THR 24 -6.020 -3.943 -2.410
184 2HG2 THR 24 2HG2 THR 24 -5.407 -2.297 -2.260
185 3HG2 THR 24 3HG2 THR 24 -4.462 -3.650 -1.638
186 H SER 25 H SER 25 -2.573 -2.973 -1.484
187 HA SER 25 HA SER 25 -3.585 -0.723 -0.231
188 1HB SER 25 2HB SER 25 -2.756 -2.713 0.974
189 2HB SER 25 1HB SER 25 -1.102 -2.276 0.544
190 HG SER 25 HG SER 25 -1.119 -0.721 1.994
191 H SER 26 H SER 26 -0.301 -1.247 -1.479
192 HA SER 26 HA SER 26 0.797 1.214 -0.794
193 1HB SER 26 2HB SER 26 2.569 0.691 -2.247
194 2HB SER 26 1HB SER 26 1.942 -0.885 -1.765
195 HG SER 26 HG SER 26 1.207 -1.216 -3.737
196 H ILE 27 H ILE 27 -1.123 0.281 -3.601
197 HA ILE 27 HA ILE 27 -0.746 2.667 -5.073
198 HB ILE 27 HB ILE 27 -3.122 0.807 -5.195
199 1HG1 ILE 27 2HG1 ILE 27 -0.798 0.665 -7.075
200 2HG1 ILE 27 1HG1 ILE 27 -0.667 -0.106 -5.498
201 1HG2 ILE 27 1HG2 ILE 27 -2.773 3.237 -6.418
202 2HG2 ILE 27 2HG2 ILE 27 -3.836 1.948 -6.980
203 3HG2 ILE 27 3HG2 ILE 27 -2.209 2.103 -7.645
204 1HD1 ILE 27 1HD1 ILE 27 -1.772 -1.860 -6.254
205 2HD1 ILE 27 2HD1 ILE 27 -1.870 -1.100 -7.843
206 3HD1 ILE 27 3HD1 ILE 27 -3.154 -0.841 -6.661
207 H LEU 28 H LEU 28 -3.458 1.607 -3.016
208 HA LEU 28 HA LEU 28 -4.934 3.998 -3.243
209 1HB LEU 28 2HB LEU 28 -5.054 2.141 -0.884
210 2HB LEU 28 1HB LEU 28 -6.337 3.136 -1.547
211 HG LEU 28 HG LEU 28 -5.290 1.168 -3.448
212 1HD1 LEU 28 1HD1 LEU 28 -6.509 0.283 -0.849
213 2HD1 LEU 28 2HD1 LEU 28 -5.016 -0.274 -1.606
214 3HD1 LEU 28 3HD1 LEU 28 -6.575 -0.693 -2.316
215 1HD2 LEU 28 1HD2 LEU 28 -7.401 2.678 -3.496
216 2HD2 LEU 28 2HD2 LEU 28 -8.111 1.411 -2.496
217 3HD2 LEU 28 3HD2 LEU 28 -7.497 1.026 -4.105
218 H VAL 29 H VAL 29 -2.590 2.908 -0.856
219 HA VAL 29 HA VAL 29 -2.887 5.098 0.899
220 HB VAL 29 HB VAL 29 -0.919 4.283 2.012
221 1HG1 VAL 29 1HG1 VAL 29 -2.555 2.907 2.745
222 2HG1 VAL 29 2HG1 VAL 29 -1.562 1.697 1.931
223 3HG1 VAL 29 3HG1 VAL 29 -2.978 2.367 1.120
224 1HG2 VAL 29 1HG2 VAL 29 -0.448 2.769 -0.524
225 2HG2 VAL 29 2HG2 VAL 29 0.286 2.272 0.998
226 3HG2 VAL 29 3HG2 VAL 29 0.642 3.863 0.324
227 H PHE 30 H PHE 30 -0.616 4.353 -1.721
228 HA PHE 30 HA PHE 30 1.026 6.634 -1.399
229 1HB PHE 30 2HB PHE 30 1.639 4.608 -2.719
230 2HB PHE 30 1HB PHE 30 0.461 5.083 -3.938
231 HD1 PHE 30 1HD PHE 30 0.771 7.453 -4.955
232 HD2 PHE 30 2HD PHE 30 3.828 5.311 -2.912
233 HE1 PHE 30 1HE PHE 30 2.476 8.833 -6.069
234 HE2 PHE 30 2HE PHE 30 5.539 6.687 -4.022
235 HZ PHE 30 HZ PHE 30 4.864 8.452 -5.602
236 H PHE 31 H PHE 31 -1.953 6.035 -3.068
237 HA PHE 31 HA PHE 31 -2.010 8.700 -4.253
238 1HB PHE 31 2HB PHE 31 -2.900 6.261 -5.182
239 2HB PHE 31 1HB PHE 31 -4.384 7.012 -4.605
240 HD1 PHE 31 1HD PHE 31 -3.952 9.828 -5.217
241 HD2 PHE 31 2HD PHE 31 -2.983 6.361 -7.486
242 HE1 PHE 31 1HE PHE 31 -4.089 11.150 -7.287
243 HE2 PHE 31 2HE PHE 31 -3.118 7.677 -9.561
244 HZ PHE 31 HZ PHE 31 -3.671 10.075 -9.463
245 H GLY 32 H GLY 32 -3.025 7.026 -1.502
246 1HA GLY 32 2HA GLY 32 -5.355 8.648 -0.947
247 2HA GLY 32 1HA GLY 32 -4.620 7.449 0.121
248 H VAL 33 H VAL 33 -2.011 8.364 -0.135
249 HA VAL 33 HA VAL 33 -1.928 10.430 1.830
250 HB VAL 33 HB VAL 33 0.480 10.150 1.659
251 1HG1 VAL 33 1HG1 VAL 33 0.400 7.482 1.891
252 2HG1 VAL 33 2HG1 VAL 33 -1.312 7.868 2.072
253 3HG1 VAL 33 3HG1 VAL 33 -0.125 8.587 3.161
254 1HG2 VAL 33 1HG2 VAL 33 1.339 8.329 0.129
255 2HG2 VAL 33 2HG2 VAL 33 0.912 9.878 -0.600
256 3HG2 VAL 33 3HG2 VAL 33 -0.192 8.511 -0.720
257 H ALA 34 H ALA 34 -1.009 10.058 -1.566
258 HA ALA 34 HA ALA 34 0.005 12.643 -1.981
259 1HB ALA 34 1HB ALA 34 -0.975 10.459 -3.769
260 2HB ALA 34 2HB ALA 34 0.639 11.156 -3.629
261 3HB ALA 34 3HB ALA 34 -0.643 12.056 -4.440
262 H ALA 35 H ALA 35 -3.201 11.219 -2.325
263 HA ALA 35 HA ALA 35 -4.493 13.434 -3.493
264 1HB ALA 35 1HB ALA 35 -5.704 11.456 -3.638
265 2HB ALA 35 2HB ALA 35 -6.558 12.329 -2.365
266 3HB ALA 35 3HB ALA 35 -5.425 11.043 -1.946
267 H PHE 36 H PHE 36 -4.514 12.287 -0.118
268 HA PHE 36 HA PHE 36 -5.698 14.631 0.931
269 1HB PHE 36 2HB PHE 36 -4.008 12.493 2.252
270 2HB PHE 36 1HB PHE 36 -4.841 13.771 3.131
271 HD1 PHE 36 1HD PHE 36 -5.067 10.538 2.896
272 HD2 PHE 36 2HD PHE 36 -7.411 13.887 1.714
273 HE1 PHE 36 1HE PHE 36 -7.093 9.145 2.984
274 HE2 PHE 36 2HE PHE 36 -9.442 12.500 1.800
275 HZ PHE 36 HZ PHE 36 -9.285 10.126 2.436
276 H ALA 37 H ALA 37 -2.444 13.679 0.159
277 HA ALA 37 HA ALA 37 -0.942 15.511 1.618
278 1HB ALA 37 1HB ALA 37 0.611 15.323 -0.484
279 2HB ALA 37 2HB ALA 37 -0.545 14.091 -0.978
280 3HB ALA 37 3HB ALA 37 0.332 13.912 0.538
281 H HIS 38 H HIS 38 -2.346 15.836 -1.634
282 HA HIS 38 HA HIS 38 -1.532 18.546 -1.963
283 1HB HIS 38 2HB HIS 38 -3.623 16.877 -3.378
284 2HB HIS 38 1HB HIS 38 -3.205 18.521 -3.851
285 HD1 HIS 38 1HD HIS 38 -0.072 17.371 -2.957
286 HD2 HIS 38 2HD HIS 38 -2.596 16.434 -6.122
287 HE1 HIS 38 1HE HIS 38 1.414 16.396 -4.736
288 HE2 HIS 38 2HE HIS 38 -0.141 15.791 -6.624
289 H LEU 39 H LEU 39 -4.391 16.919 -0.747
290 HA LEU 39 HA LEU 39 -6.005 19.256 -0.524
291 1HB LEU 39 2HB LEU 39 -6.457 16.567 -0.323
292 2HB LEU 39 1HB LEU 39 -6.543 17.062 1.357
293 HG LEU 39 HG LEU 39 -8.237 18.797 0.655
294 1HD1 LEU 39 1HD1 LEU 39 -9.426 18.154 -1.513
295 2HD1 LEU 39 2HD1 LEU 39 -7.938 17.304 -1.930
296 3HD1 LEU 39 3HD1 LEU 39 -7.910 19.045 -1.647
297 1HD2 LEU 39 1HD2 LEU 39 -8.871 15.879 0.240
298 2HD2 LEU 39 2HD2 LEU 39 -10.072 17.149 0.471
299 3HD2 LEU 39 3HD2 LEU 39 -8.929 16.770 1.761
300 H LEU 40 H LEU 40 -3.405 17.991 1.307
301 HA LEU 40 HA LEU 40 -4.145 19.450 3.721
302 1HB LEU 40 2HB LEU 40 -1.832 17.612 3.115
303 2HB LEU 40 1HB LEU 40 -2.076 18.411 4.656
304 HG LEU 40 HG LEU 40 -4.339 16.782 3.660
305 1HD1 LEU 40 1HD1 LEU 40 -2.185 15.500 3.158
306 2HD1 LEU 40 2HD1 LEU 40 -3.406 14.692 4.139
307 3HD1 LEU 40 3HD1 LEU 40 -1.986 15.400 4.908
308 1HD2 LEU 40 1HD2 LEU 40 -4.321 18.002 5.824
309 2HD2 LEU 40 2HD2 LEU 40 -3.002 16.959 6.354
310 3HD2 LEU 40 3HD2 LEU 40 -4.582 16.266 5.988
311 H VAL 41 H VAL 41 -2.173 19.824 0.923
312 HA VAL 41 HA VAL 41 -0.182 21.516 2.001
313 HB VAL 41 HB VAL 41 -0.034 20.379 -0.223
314 1HG1 VAL 41 1HG1 VAL 41 -1.192 22.431 -1.822
315 2HG1 VAL 41 2HG1 VAL 41 -2.421 21.816 -0.717
316 3HG1 VAL 41 3HG1 VAL 41 -1.567 20.708 -1.790
317 1HG2 VAL 41 1HG2 VAL 41 1.450 22.248 0.498
318 2HG2 VAL 41 2HG2 VAL 41 0.387 23.359 -0.366
319 3HG2 VAL 41 3HG2 VAL 41 1.262 22.109 -1.251
320 H TRP 42 H TRP 42 -3.490 22.049 1.518
321 HA TRP 42 HA TRP 42 -4.806 23.874 1.847
322 1HB TRP 42 2HB TRP 42 -2.779 24.356 3.514
323 2HB TRP 42 1HB TRP 42 -2.505 25.685 2.394
324 HD1 TRP 42 HD TRP 42 -6.069 25.388 2.294
325 HE1 TRP 42 1HE TRP 42 -7.231 26.953 3.975
326 HE3 TRP 42 3HE TRP 42 -2.057 26.527 5.253
327 HZ2 TRP 42 2HZ TRP 42 -6.539 28.469 6.252
328 HZ3 TRP 42 3HZ TRP 42 -2.393 28.043 7.163
329 HH2 TRP 42 HH TRP 42 -4.589 28.993 7.650
330 H ILE 43 H ILE 43 -4.763 23.492 -0.604
331 HA ILE 43 HA ILE 43 -4.311 26.088 -1.861
332 HB ILE 43 HB ILE 43 -3.321 23.532 -3.132
333 1HG1 ILE 43 2HG1 ILE 43 -1.916 24.274 -1.224
334 2HG1 ILE 43 1HG1 ILE 43 -1.075 24.379 -2.768
335 1HG2 ILE 43 1HG2 ILE 43 -4.166 25.830 -4.359
336 2HG2 ILE 43 2HG2 ILE 43 -3.036 24.661 -5.041
337 3HG2 ILE 43 3HG2 ILE 43 -2.429 26.094 -4.213
338 1HD1 ILE 43 1HD1 ILE 43 -1.232 26.352 -0.873
339 2HD1 ILE 43 2HD1 ILE 43 -2.440 26.842 -2.060
340 3HD1 ILE 43 3HD1 ILE 43 -0.771 26.569 -2.561
341 H TRP 44 H TRP 44 -5.658 22.830 -2.089
342 HA TRP 44 HA TRP 44 -7.790 22.205 -2.696
343 1HB TRP 44 2HB TRP 44 -8.197 24.887 -2.520
344 2HB TRP 44 1HB TRP 44 -8.457 24.633 -4.243
345 HD1 TRP 44 HD TRP 44 -10.067 22.037 -4.393
346 HE1 TRP 44 1HE TRP 44 -12.411 21.824 -3.352
347 HE3 TRP 44 3HE TRP 44 -9.797 25.847 -0.994
348 HZ2 TRP 44 2HZ TRP 44 -13.944 23.102 -1.355
349 HZ3 TRP 44 3HZ TRP 44 -11.746 26.286 0.443
350 HH2 TRP 44 HH TRP 44 -13.776 24.941 0.264
351 H ARG 45 H ARG 45 -5.308 21.953 -4.165
352 HA ARG 45 HA ARG 45 -6.247 20.749 -6.504
353 1HB ARG 45 2HB ARG 45 -5.126 22.320 -8.162
354 2HB ARG 45 1HB ARG 45 -6.649 22.867 -7.474
355 1HG ARG 45 2HG ARG 45 -5.439 24.290 -5.905
356 2HG ARG 45 1HG ARG 45 -3.906 23.733 -6.582
357 1HD ARG 45 2HD ARG 45 -4.677 25.948 -7.443
358 2HD ARG 45 1HD ARG 45 -4.388 24.737 -8.691
359 HE ARG 45 HE ARG 45 -6.618 24.787 -9.216
360 1HH1 ARG 45 1HH1 ARG 45 -6.135 26.380 -6.149
361 2HH1 ARG 45 2HH1 ARG 45 -7.757 26.980 -6.063
362 1HH2 ARG 45 1HH2 ARG 45 -8.752 25.576 -9.105
363 2HH2 ARG 45 2HH2 ARG 45 -9.242 26.524 -7.741
364 HA PRO 46 HA PRO 46 -2.275 18.870 -6.265
365 1HB PRO 46 2HB PRO 46 -1.706 18.379 -8.898
366 2HB PRO 46 1HB PRO 46 -2.838 17.418 -7.941
367 1HG PRO 46 2HG PRO 46 -3.393 19.631 -9.878
368 2HG PRO 46 1HG PRO 46 -4.245 18.089 -9.663
369 1HD PRO 46 2HD PRO 46 -5.211 20.397 -8.671
370 2HD PRO 46 1HD PRO 46 -5.422 18.851 -7.824
371 H TRP 47 H TRP 47 -0.526 19.998 -5.702
372 HA TRP 47 HA TRP 47 0.259 22.465 -6.675
373 1HB TRP 47 2HB TRP 47 1.060 21.260 -4.574
374 2HB TRP 47 1HB TRP 47 2.203 20.417 -5.613
375 HD1 TRP 47 HD TRP 47 4.145 21.932 -6.768
376 HE1 TRP 47 1HE TRP 47 5.211 24.148 -6.008
377 HE3 TRP 47 3HE TRP 47 0.599 23.429 -3.403
378 HZ2 TRP 47 2HZ TRP 47 4.627 26.252 -4.219
379 HZ3 TRP 47 3HZ TRP 47 0.928 25.556 -2.209
380 HH2 TRP 47 HH TRP 47 2.902 26.936 -2.610
381 H VAL 48 H VAL 48 0.895 19.286 -7.948
382 HA VAL 48 HA VAL 48 3.036 20.036 -9.674
383 HB VAL 48 HB VAL 48 1.181 17.683 -10.020
384 1HG1 VAL 48 1HG1 VAL 48 2.777 18.355 -11.874
385 2HG1 VAL 48 2HG1 VAL 48 2.904 16.696 -11.289
386 3HG1 VAL 48 3HG1 VAL 48 4.081 17.905 -10.776
387 1HG2 VAL 48 1HG2 VAL 48 1.897 17.262 -7.888
388 2HG2 VAL 48 2HG2 VAL 48 3.400 18.160 -8.097
389 3HG2 VAL 48 3HG2 VAL 48 3.228 16.551 -8.801
390 HA PRO 49 HA PRO 49 0.254 22.140 -12.551
391 1HB PRO 49 2HB PRO 49 2.217 23.050 -14.203
392 2HB PRO 49 1HB PRO 49 1.793 23.838 -12.678
393 1HG PRO 49 2HG PRO 49 4.034 21.943 -13.273
394 2HG PRO 49 1HG PRO 49 4.053 23.435 -12.312
395 1HD PRO 49 2HD PRO 49 3.938 20.988 -11.174
396 2HD PRO 49 1HD PRO 49 3.138 22.404 -10.460
397 H GLY 50 H GLY 50 -0.239 19.714 -12.990
398 1HA GLY 50 2HA GLY 50 -0.652 18.102 -14.569
399 2HA GLY 50 1HA GLY 50 -0.222 19.312 -15.767
400 HA PRO 51 HA PRO 51 3.112 15.902 -15.226
401 1HB PRO 51 2HB PRO 51 2.405 14.168 -17.185
402 2HB PRO 51 1HB PRO 51 1.826 14.017 -15.522
403 1HG PRO 51 2HG PRO 51 0.446 15.184 -17.910
404 2HG PRO 51 1HG PRO 51 -0.204 14.111 -16.656
405 1HD PRO 51 2HD PRO 51 -0.627 16.788 -16.654
406 2HD PRO 51 1HD PRO 51 -0.508 15.837 -15.161
407 H ASN 52 H ASN 52 1.538 17.377 -17.994
408 HA ASN 52 HA ASN 52 4.184 17.754 -19.225
409 1HB ASN 52 2HB ASN 52 2.872 16.006 -20.431
410 2HB ASN 52 1HB ASN 52 1.629 17.211 -20.751
411 1HD2 ASN 52 1HD2 ASN 52 1.738 17.589 -22.853
412 2HD2 ASN 52 2HD2 ASN 52 3.169 18.011 -23.726
413 H GLY 53 H GLY 53 2.662 19.510 -17.490
414 1HA GLY 53 2HA GLY 53 2.394 21.805 -17.398
415 2HA GLY 53 1HA GLY 53 2.799 21.883 -19.105
416 H TYR 54 H TYR 54 0.878 23.538 -18.247
417 HA TYR 54 HA TYR 54 -1.735 22.349 -18.531
418 1HB TYR 54 2HB TYR 54 -1.320 24.284 -17.028
419 2HB TYR 54 1HB TYR 54 -0.958 25.271 -18.441
420 HD1 TYR 54 1HD TYR 54 -2.651 26.646 -19.173
421 HD2 TYR 54 2HD TYR 54 -3.680 22.974 -17.286
422 HE1 TYR 54 1HE TYR 54 -5.035 27.206 -19.396
423 HE2 TYR 54 2HE TYR 54 -6.066 23.522 -17.506
424 HH TYR 54 HH TYR 54 -7.449 25.086 -19.187
425 H SER 55 H SER 55 -3.299 23.169 -20.138
426 HA SER 55 HA SER 55 -2.080 23.167 -22.775
427 1HB SER 55 2HB SER 55 -5.033 23.375 -22.435
428 2HB SER 55 1HB SER 55 -4.095 22.410 -23.575
429 HG SER 55 HG SER 55 -4.765 20.911 -22.194
Start of MODEL 3
1 1H ALA 1 1H ALA 1 6.197 -33.399 -5.411
2 HA ALA 1 HA ALA 1 5.432 -35.784 -4.076
3 1HB ALA 1 1HB ALA 1 5.965 -34.712 -1.696
4 2HB ALA 1 2HB ALA 1 7.343 -34.078 -2.594
5 3HB ALA 1 3HB ALA 1 7.071 -35.819 -2.509
6 H GLU 2 H GLU 2 3.355 -35.576 -3.507
7 HA GLU 2 HA GLU 2 1.311 -34.653 -3.130
8 1HB GLU 2 2HB GLU 2 2.862 -33.630 -1.217
9 2HB GLU 2 1HB GLU 2 2.492 -32.135 -2.066
10 1HG GLU 2 2HG GLU 2 0.158 -33.816 -1.555
11 2HG GLU 2 1HG GLU 2 0.978 -33.254 -0.097
12 H VAL 3 H VAL 3 2.654 -34.164 -5.649
13 HA VAL 3 HA VAL 3 1.755 -31.478 -6.383
14 HB VAL 3 HB VAL 3 2.828 -32.046 -8.608
15 1HG1 VAL 3 1HG1 VAL 3 4.311 -31.789 -6.028
16 2HG1 VAL 3 2HG1 VAL 3 4.089 -30.607 -7.318
17 3HG1 VAL 3 3HG1 VAL 3 5.202 -31.956 -7.540
18 1HG2 VAL 3 1HG2 VAL 3 3.891 -34.000 -8.982
19 2HG2 VAL 3 2HG2 VAL 3 2.796 -34.600 -7.735
20 3HG2 VAL 3 3HG2 VAL 3 4.445 -34.139 -7.314
21 H LYS 4 H LYS 4 -0.482 -31.771 -6.396
22 HA LYS 4 HA LYS 4 -1.598 -32.660 -8.828
23 1HB LYS 4 2HB LYS 4 -1.115 -34.790 -7.224
24 2HB LYS 4 1HB LYS 4 -2.733 -34.355 -6.688
25 1HG LYS 4 2HG LYS 4 -3.004 -35.962 -8.388
26 2HG LYS 4 1HG LYS 4 -3.425 -34.408 -9.109
27 1HD LYS 4 2HD LYS 4 -1.451 -34.313 -10.348
28 2HD LYS 4 1HD LYS 4 -0.641 -35.499 -9.323
29 1HE LYS 4 2HE LYS 4 -1.123 -36.922 -10.996
30 2HE LYS 4 1HE LYS 4 -2.720 -36.964 -10.251
31 1HZ LYS 4 1HZ LYS 4 -3.564 -35.470 -11.816
32 2HZ LYS 4 2HZ LYS 4 -2.615 -36.530 -12.729
33 3HZ LYS 4 3HZ LYS 4 -2.029 -34.991 -12.342
34 H GLN 5 H GLN 5 -1.751 -30.297 -7.514
35 HA GLN 5 HA GLN 5 -3.106 -28.822 -6.339
36 1HB GLN 5 2HB GLN 5 -5.180 -28.439 -7.626
37 2HB GLN 5 1HB GLN 5 -3.767 -28.625 -8.655
38 1HG GLN 5 2HG GLN 5 -4.422 -30.990 -9.028
39 2HG GLN 5 1HG GLN 5 -5.900 -30.677 -8.121
40 1HE2 GLN 5 1HE2 GLN 5 -6.711 -28.282 -8.987
41 2HE2 GLN 5 2HE2 GLN 5 -7.044 -28.314 -10.682
42 H GLU 6 H GLU 6 -3.033 -30.993 -4.719
43 HA GLU 6 HA GLU 6 -5.563 -32.131 -4.146
44 1HB GLU 6 2HB GLU 6 -2.987 -31.907 -2.613
45 2HB GLU 6 1HB GLU 6 -4.422 -32.605 -1.875
46 1HG GLU 6 2HG GLU 6 -4.327 -33.969 -4.213
47 2HG GLU 6 1HG GLU 6 -2.612 -33.702 -3.903
48 H SER 7 H SER 7 -3.885 -29.263 -3.003
49 HA SER 7 HA SER 7 -6.266 -27.978 -2.212
50 1HB SER 7 2HB SER 7 -6.257 -28.102 0.118
51 2HB SER 7 1HB SER 7 -5.833 -29.748 -0.351
52 HG SER 7 HG SER 7 -3.859 -29.470 0.392
53 H LEU 8 H LEU 8 -3.893 -27.450 -3.733
54 HA LEU 8 HA LEU 8 -2.101 -25.765 -2.362
55 1HB LEU 8 2HB LEU 8 -1.225 -25.169 -4.443
56 2HB LEU 8 1HB LEU 8 -1.766 -26.827 -4.624
57 HG LEU 8 HG LEU 8 -3.108 -24.345 -5.690
58 1HD1 LEU 8 1HD1 LEU 8 -1.571 -24.810 -7.284
59 2HD1 LEU 8 2HD1 LEU 8 -2.811 -25.956 -7.793
60 3HD1 LEU 8 3HD1 LEU 8 -1.444 -26.509 -6.826
61 1HD2 LEU 8 1HD2 LEU 8 -4.774 -25.890 -6.662
62 2HD2 LEU 8 2HD2 LEU 8 -4.838 -25.829 -4.900
63 3HD2 LEU 8 3HD2 LEU 8 -4.078 -27.200 -5.708
64 H SER 9 H SER 9 -5.348 -25.248 -2.972
65 HA SER 9 HA SER 9 -5.486 -22.590 -3.774
66 1HB SER 9 2HB SER 9 -7.695 -22.545 -2.687
67 2HB SER 9 1HB SER 9 -7.464 -24.040 -3.592
68 HG SER 9 HG SER 9 -8.176 -23.864 -1.121
69 H GLY 10 H GLY 10 -4.455 -23.970 -0.783
70 1HA GLY 10 2HA GLY 10 -4.807 -21.595 0.796
71 2HA GLY 10 1HA GLY 10 -3.909 -23.034 1.258
72 H ILE 11 H ILE 11 -2.218 -22.998 -1.131
73 HA ILE 11 HA ILE 11 -0.258 -21.108 -0.151
74 HB ILE 11 HB ILE 11 -0.130 -23.093 -2.429
75 1HG1 ILE 11 2HG1 ILE 11 1.470 -24.239 -0.825
76 2HG1 ILE 11 1HG1 ILE 11 0.901 -23.122 0.410
77 1HG2 ILE 11 1HG2 ILE 11 2.429 -22.621 -1.975
78 2HG2 ILE 11 2HG2 ILE 11 1.805 -21.056 -1.455
79 3HG2 ILE 11 3HG2 ILE 11 1.494 -21.629 -3.094
80 1HD1 ILE 11 1HD1 ILE 11 -0.138 -25.530 0.084
81 2HD1 ILE 11 2HD1 ILE 11 -1.140 -24.660 -1.077
82 3HD1 ILE 11 3HD1 ILE 11 -1.105 -24.153 0.612
83 H THR 12 H THR 12 -2.012 -21.662 -3.193
84 HA THR 12 HA THR 12 -0.946 -19.457 -4.580
85 HB THR 12 HB THR 12 -3.284 -19.732 -5.824
86 HG1 THR 12 1HG THR 12 -4.406 -21.139 -4.714
87 1HG2 THR 12 1HG2 THR 12 -2.251 -21.027 -7.350
88 2HG2 THR 12 2HG2 THR 12 -1.614 -22.142 -6.141
89 3HG2 THR 12 3HG2 THR 12 -0.830 -20.584 -6.405
90 H GLU 13 H GLU 13 -3.938 -19.833 -2.701
91 HA GLU 13 HA GLU 13 -4.778 -17.135 -3.097
92 1HB GLU 13 2HB GLU 13 -6.287 -19.077 -2.538
93 2HB GLU 13 1HB GLU 13 -5.651 -19.014 -0.900
94 1HG GLU 13 2HG GLU 13 -6.390 -16.515 -1.019
95 2HG GLU 13 1HG GLU 13 -7.433 -17.095 -2.317
96 H GLY 14 H GLY 14 -2.823 -18.793 -0.722
97 1HA GLY 14 2HA GLY 14 -2.880 -16.816 1.299
98 2HA GLY 14 1HA GLY 14 -1.629 -18.033 1.089
99 H GLU 15 H GLU 15 -0.247 -17.529 -0.998
100 HA GLU 15 HA GLU 15 1.201 -15.184 -0.445
101 1HB GLU 15 2HB GLU 15 1.237 -16.720 -3.046
102 2HB GLU 15 1HB GLU 15 2.519 -15.715 -2.385
103 1HG GLU 15 2HG GLU 15 1.685 -17.898 -0.629
104 2HG GLU 15 1HG GLU 15 2.370 -18.421 -2.166
105 H ALA 16 H ALA 16 -1.203 -15.958 -2.914
106 HA ALA 16 HA ALA 16 -1.054 -13.583 -4.392
107 1HB ALA 16 1HB ALA 16 -3.351 -14.147 -5.134
108 2HB ALA 16 2HB ALA 16 -3.396 -15.424 -3.918
109 3HB ALA 16 3HB ALA 16 -2.234 -15.508 -5.242
110 H LYS 17 H LYS 17 -2.980 -14.457 -1.558
111 HA LYS 17 HA LYS 17 -4.509 -12.110 -1.393
112 1HB LYS 17 2HB LYS 17 -5.054 -14.142 -0.140
113 2HB LYS 17 1HB LYS 17 -3.591 -13.958 0.817
114 1HG LYS 17 2HG LYS 17 -5.007 -13.003 2.279
115 2HG LYS 17 1HG LYS 17 -4.738 -11.575 1.278
116 1HD LYS 17 2HD LYS 17 -6.739 -12.254 -0.071
117 2HD LYS 17 1HD LYS 17 -7.046 -13.509 1.132
118 1HE LYS 17 2HE LYS 17 -7.041 -11.657 2.861
119 2HE LYS 17 1HE LYS 17 -7.075 -10.523 1.511
120 1HZ LYS 17 1HZ LYS 17 -9.084 -12.111 0.839
121 2HZ LYS 17 2HZ LYS 17 -9.285 -10.739 1.808
122 3HZ LYS 17 3HZ LYS 17 -9.170 -12.269 2.521
123 H GLU 18 H GLU 18 -1.375 -12.966 0.018
124 HA GLU 18 HA GLU 18 -1.044 -10.603 1.524
125 1HB GLU 18 2HB GLU 18 0.298 -12.931 1.401
126 2HB GLU 18 1HB GLU 18 1.372 -11.934 0.430
127 1HG GLU 18 2HG GLU 18 1.452 -10.305 2.307
128 2HG GLU 18 1HG GLU 18 0.519 -11.447 3.273
129 H PHE 19 H PHE 19 0.493 -11.541 -1.553
130 HA PHE 19 HA PHE 19 1.658 -9.065 -2.097
131 1HB PHE 19 2HB PHE 19 1.858 -11.473 -3.235
132 2HB PHE 19 1HB PHE 19 0.748 -10.733 -4.384
133 HD1 PHE 19 1HD PHE 19 1.437 -8.551 -5.475
134 HD2 PHE 19 2HD PHE 19 4.145 -11.030 -3.324
135 HE1 PHE 19 1HE PHE 19 3.329 -7.449 -6.596
136 HE2 PHE 19 2HE PHE 19 6.043 -9.932 -4.440
137 HZ PHE 19 HZ PHE 19 5.637 -8.140 -6.079
138 H HIS 20 H HIS 20 -1.589 -10.227 -2.621
139 HA HIS 20 HA HIS 20 -2.351 -8.189 -4.471
140 1HB HIS 20 2HB HIS 20 -3.556 -10.317 -4.359
141 2HB HIS 20 1HB HIS 20 -4.053 -9.964 -2.708
142 HD1 HIS 20 1HD HIS 20 -6.420 -9.286 -2.656
143 HD2 HIS 20 2HD HIS 20 -4.512 -7.923 -6.086
144 HE1 HIS 20 1HE HIS 20 -8.167 -8.005 -3.933
145 HE2 HIS 20 2HE HIS 20 -6.967 -7.120 -5.963
146 H LYS 21 H LYS 21 -3.221 -8.719 -1.048
147 HA LYS 21 HA LYS 21 -4.493 -6.258 -0.671
148 1HB LYS 21 2HB LYS 21 -4.726 -8.149 0.876
149 2HB LYS 21 1HB LYS 21 -3.049 -7.961 1.366
150 1HG LYS 21 2HG LYS 21 -3.489 -5.898 2.428
151 2HG LYS 21 1HG LYS 21 -5.089 -5.781 1.692
152 1HD LYS 21 2HD LYS 21 -4.615 -8.200 3.302
153 2HD LYS 21 1HD LYS 21 -4.629 -6.683 4.203
154 1HE LYS 21 2HE LYS 21 -6.852 -7.854 3.989
155 2HE LYS 21 1HE LYS 21 -6.821 -6.166 3.483
156 1HZ LYS 21 1HZ LYS 21 -6.564 -8.455 1.612
157 2HZ LYS 21 2HZ LYS 21 -6.758 -6.824 1.209
158 3HZ LYS 21 3HZ LYS 21 -8.024 -7.669 1.945
159 H ILE 22 H ILE 22 -1.133 -7.213 -0.012
160 HA ILE 22 HA ILE 22 -0.285 -4.773 1.060
161 HB ILE 22 HB ILE 22 1.963 -5.538 0.680
162 1HG1 ILE 22 2HG1 ILE 22 2.090 -7.887 -0.537
163 2HG1 ILE 22 1HG1 ILE 22 0.667 -7.272 -1.367
164 1HG2 ILE 22 1HG2 ILE 22 1.302 -6.686 2.504
165 2HG2 ILE 22 2HG2 ILE 22 1.530 -8.064 1.427
166 3HG2 ILE 22 3HG2 ILE 22 -0.085 -7.401 1.682
167 1HD1 ILE 22 1HD1 ILE 22 3.402 -6.721 -1.871
168 2HD1 ILE 22 2HD1 ILE 22 2.609 -5.222 -1.385
169 3HD1 ILE 22 3HD1 ILE 22 1.979 -6.152 -2.744
170 H PHE 23 H PHE 23 -0.288 -5.974 -2.271
171 HA PHE 23 HA PHE 23 1.079 -3.809 -3.434
172 1HB PHE 23 2HB PHE 23 0.753 -5.924 -4.618
173 2HB PHE 23 1HB PHE 23 -0.987 -5.658 -4.650
174 HD1 PHE 23 1HD PHE 23 2.125 -5.091 -6.307
175 HD2 PHE 23 2HD PHE 23 -1.863 -3.652 -5.932
176 HE1 PHE 23 1HE PHE 23 2.353 -3.909 -8.453
177 HE2 PHE 23 2HE PHE 23 -1.642 -2.469 -8.078
178 HZ PHE 23 HZ PHE 23 0.468 -2.596 -9.342
179 H THR 24 H THR 24 -2.416 -4.505 -3.586
180 HA THR 24 HA THR 24 -3.232 -2.069 -4.594
181 HB THR 24 HB THR 24 -4.454 -4.404 -3.756
182 HG1 THR 24 1HG THR 24 -5.072 -3.140 -5.514
183 1HG2 THR 24 1HG2 THR 24 -4.833 -3.571 -1.505
184 2HG2 THR 24 2HG2 THR 24 -6.350 -3.741 -2.389
185 3HG2 THR 24 3HG2 THR 24 -5.636 -2.144 -2.160
186 H SER 25 H SER 25 -2.652 -3.020 -1.250
187 HA SER 25 HA SER 25 -3.690 -0.798 0.060
188 1HB SER 25 2HB SER 25 -1.538 -2.776 0.703
189 2HB SER 25 1HB SER 25 -1.744 -1.366 1.743
190 HG SER 25 HG SER 25 -3.087 -2.834 2.604
191 H SER 26 H SER 26 -0.198 -1.306 -0.361
192 HA SER 26 HA SER 26 0.646 1.244 0.161
193 1HB SER 26 2HB SER 26 2.291 -0.451 0.004
194 2HB SER 26 1HB SER 26 1.812 -0.874 -1.639
195 HG SER 26 HG SER 26 2.764 0.947 -2.395
196 H ILE 27 H ILE 27 -0.433 -0.046 -2.963
197 HA ILE 27 HA ILE 27 0.258 2.225 -4.491
198 HB ILE 27 HB ILE 27 -1.551 -0.112 -4.900
199 1HG1 ILE 27 2HG1 ILE 27 -0.165 -0.430 -6.877
200 2HG1 ILE 27 1HG1 ILE 27 0.599 1.135 -6.625
201 1HG2 ILE 27 1HG2 ILE 27 -1.664 2.398 -6.561
202 2HG2 ILE 27 2HG2 ILE 27 -2.993 1.596 -5.724
203 3HG2 ILE 27 3HG2 ILE 27 -2.238 0.828 -7.121
204 1HD1 ILE 27 1HD1 ILE 27 0.898 -1.366 -5.003
205 2HD1 ILE 27 2HD1 ILE 27 1.405 0.214 -4.406
206 3HD1 ILE 27 3HD1 ILE 27 2.137 -0.454 -5.864
207 H LEU 28 H LEU 28 -2.710 1.287 -2.822
208 HA LEU 28 HA LEU 28 -4.319 3.450 -3.607
209 1HB LEU 28 2HB LEU 28 -4.347 1.361 -1.522
210 2HB LEU 28 1HB LEU 28 -5.292 2.794 -1.165
211 HG LEU 28 HG LEU 28 -6.614 2.487 -3.135
212 1HD1 LEU 28 1HD1 LEU 28 -5.392 -0.116 -3.828
213 2HD1 LEU 28 2HD1 LEU 28 -4.514 1.336 -4.303
214 3HD1 LEU 28 3HD1 LEU 28 -6.165 1.083 -4.863
215 1HD2 LEU 28 1HD2 LEU 28 -7.329 1.286 -1.165
216 2HD2 LEU 28 2HD2 LEU 28 -6.288 -0.073 -1.586
217 3HD2 LEU 28 3HD2 LEU 28 -7.672 0.326 -2.604
218 H VAL 29 H VAL 29 -2.764 2.893 -0.504
219 HA VAL 29 HA VAL 29 -3.215 5.391 0.614
220 HB VAL 29 HB VAL 29 -1.109 4.759 2.028
221 1HG1 VAL 29 1HG1 VAL 29 -3.617 4.565 2.554
222 2HG1 VAL 29 2HG1 VAL 29 -2.483 3.612 3.511
223 3HG1 VAL 29 3HG1 VAL 29 -3.404 2.847 2.215
224 1HG2 VAL 29 1HG2 VAL 29 -1.578 1.957 1.462
225 2HG2 VAL 29 2HG2 VAL 29 -0.060 2.836 1.643
226 3HG2 VAL 29 3HG2 VAL 29 -0.883 2.809 0.085
227 H PHE 30 H PHE 30 -0.291 4.210 -1.079
228 HA PHE 30 HA PHE 30 1.231 6.546 -0.753
229 1HB PHE 30 2HB PHE 30 2.055 4.292 -1.565
230 2HB PHE 30 1HB PHE 30 1.371 4.695 -3.137
231 HD1 PHE 30 1HD PHE 30 4.019 5.427 -0.727
232 HD2 PHE 30 2HD PHE 30 2.383 6.382 -4.538
233 HE1 PHE 30 1HE PHE 30 6.094 6.611 -1.317
234 HE2 PHE 30 2HE PHE 30 4.454 7.567 -5.134
235 HZ PHE 30 HZ PHE 30 6.314 7.683 -3.524
236 H PHE 31 H PHE 31 -1.239 5.673 -3.025
237 HA PHE 31 HA PHE 31 -0.869 8.099 -4.597
238 1HB PHE 31 2HB PHE 31 -2.637 5.675 -4.931
239 2HB PHE 31 1HB PHE 31 -2.839 7.122 -5.912
240 HD1 PHE 31 1HD PHE 31 -2.017 6.848 -8.025
241 HD2 PHE 31 2HD PHE 31 0.103 5.124 -4.763
242 HE1 PHE 31 1HE PHE 31 -0.289 6.043 -9.580
243 HE2 PHE 31 2HE PHE 31 1.836 4.317 -6.311
244 HZ PHE 31 HZ PHE 31 1.641 4.776 -8.723
245 H GLY 32 H GLY 32 -2.584 6.959 -1.929
246 1HA GLY 32 2HA GLY 32 -4.931 8.591 -2.190
247 2HA GLY 32 1HA GLY 32 -4.397 7.733 -0.740
248 H VAL 33 H VAL 33 -1.848 8.645 -0.602
249 HA VAL 33 HA VAL 33 -2.150 11.196 0.647
250 HB VAL 33 HB VAL 33 0.440 10.933 0.752
251 1HG1 VAL 33 1HG1 VAL 33 0.060 9.172 2.636
252 2HG1 VAL 33 2HG1 VAL 33 -1.641 9.444 2.256
253 3HG1 VAL 33 3HG1 VAL 33 -0.627 10.791 2.774
254 1HG2 VAL 33 1HG2 VAL 33 -0.161 8.685 -0.780
255 2HG2 VAL 33 2HG2 VAL 33 0.290 8.091 0.814
256 3HG2 VAL 33 3HG2 VAL 33 1.390 9.136 -0.083
257 H ALA 34 H ALA 34 -0.035 10.011 -1.976
258 HA ALA 34 HA ALA 34 0.986 12.375 -2.878
259 1HB ALA 34 1HB ALA 34 1.259 11.350 -5.040
260 2HB ALA 34 2HB ALA 34 -0.014 10.180 -4.694
261 3HB ALA 34 3HB ALA 34 1.507 10.118 -3.803
262 H ALA 35 H ALA 35 -2.135 10.932 -3.718
263 HA ALA 35 HA ALA 35 -3.025 12.983 -5.436
264 1HB ALA 35 1HB ALA 35 -5.271 12.001 -5.057
265 2HB ALA 35 2HB ALA 35 -4.572 10.970 -3.809
266 3HB ALA 35 3HB ALA 35 -4.048 10.804 -5.484
267 H PHE 36 H PHE 36 -4.449 12.239 -2.255
268 HA PHE 36 HA PHE 36 -5.533 14.835 -1.942
269 1HB PHE 36 2HB PHE 36 -5.456 12.345 -0.401
270 2HB PHE 36 1HB PHE 36 -5.488 13.790 0.604
271 HD1 PHE 36 1HD PHE 36 -7.160 15.615 -0.912
272 HD2 PHE 36 2HD PHE 36 -7.564 11.421 -0.309
273 HE1 PHE 36 1HE PHE 36 -9.588 15.802 -1.259
274 HE2 PHE 36 2HE PHE 36 -9.994 11.602 -0.655
275 HZ PHE 36 HZ PHE 36 -11.008 13.794 -1.132
276 H ALA 37 H ALA 37 -2.819 13.231 -0.249
277 HA ALA 37 HA ALA 37 -2.040 15.280 1.406
278 1HB ALA 37 1HB ALA 37 -1.084 12.856 0.998
279 2HB ALA 37 2HB ALA 37 -0.105 14.113 1.754
280 3HB ALA 37 3HB ALA 37 0.108 13.738 0.044
281 H HIS 38 H HIS 38 -0.997 14.811 -2.000
282 HA HIS 38 HA HIS 38 0.657 17.128 -1.986
283 1HB HIS 38 2HB HIS 38 0.806 15.182 -3.616
284 2HB HIS 38 1HB HIS 38 -0.582 15.885 -4.441
285 HD1 HIS 38 1HD HIS 38 0.178 17.094 -6.446
286 HD2 HIS 38 2HD HIS 38 2.856 17.513 -3.297
287 HE1 HIS 38 1HE HIS 38 2.004 18.593 -7.310
288 HE2 HIS 38 2HE HIS 38 3.566 18.903 -5.359
289 H LEU 39 H LEU 39 -2.660 16.518 -3.102
290 HA LEU 39 HA LEU 39 -3.083 19.150 -4.081
291 1HB LEU 39 2HB LEU 39 -4.442 16.802 -4.264
292 2HB LEU 39 1HB LEU 39 -5.434 17.667 -3.105
293 HG LEU 39 HG LEU 39 -6.279 17.981 -5.361
294 1HD1 LEU 39 1HD1 LEU 39 -5.001 20.566 -4.524
295 2HD1 LEU 39 2HD1 LEU 39 -6.322 19.829 -3.618
296 3HD1 LEU 39 3HD1 LEU 39 -6.566 20.311 -5.296
297 1HD2 LEU 39 1HD2 LEU 39 -3.734 17.857 -6.204
298 2HD2 LEU 39 2HD2 LEU 39 -3.969 19.604 -6.219
299 3HD2 LEU 39 3HD2 LEU 39 -5.039 18.564 -7.157
300 H LEU 40 H LEU 40 -2.956 17.845 -0.935
301 HA LEU 40 HA LEU 40 -4.627 19.903 0.243
302 1HB LEU 40 2HB LEU 40 -3.305 17.430 1.180
303 2HB LEU 40 1HB LEU 40 -3.466 18.711 2.366
304 HG LEU 40 HG LEU 40 -5.884 18.738 2.056
305 1HD1 LEU 40 1HD1 LEU 40 -5.767 16.296 0.359
306 2HD1 LEU 40 2HD1 LEU 40 -5.567 17.874 -0.400
307 3HD1 LEU 40 3HD1 LEU 40 -7.036 17.512 0.504
308 1HD2 LEU 40 1HD2 LEU 40 -4.442 16.268 2.825
309 2HD2 LEU 40 2HD2 LEU 40 -6.194 16.161 2.649
310 3HD2 LEU 40 3HD2 LEU 40 -5.489 17.317 3.780
311 H VAL 41 H VAL 41 -1.247 19.256 -0.329
312 HA VAL 41 HA VAL 41 -0.208 21.078 1.577
313 HB VAL 41 HB VAL 41 1.145 19.285 0.492
314 1HG1 VAL 41 1HG1 VAL 41 0.365 20.690 -1.890
315 2HG1 VAL 41 2HG1 VAL 41 1.171 19.132 -1.723
316 3HG1 VAL 41 3HG1 VAL 41 2.122 20.616 -1.771
317 1HG2 VAL 41 1HG2 VAL 41 2.441 20.791 1.667
318 2HG2 VAL 41 2HG2 VAL 41 2.043 22.133 0.594
319 3HG2 VAL 41 3HG2 VAL 41 3.155 20.874 0.056
320 H TRP 42 H TRP 42 -1.588 21.476 -1.568
321 HA TRP 42 HA TRP 42 -0.467 23.973 -2.239
322 1HB TRP 42 2HB TRP 42 -1.834 22.404 -3.732
323 2HB TRP 42 1HB TRP 42 -3.261 23.096 -2.968
324 HD1 TRP 42 HD TRP 42 -0.308 25.369 -3.765
325 HE1 TRP 42 1HE TRP 42 -0.989 26.989 -5.646
326 HE3 TRP 42 3HE TRP 42 -4.818 23.310 -5.017
327 HZ2 TRP 42 2HZ TRP 42 -3.153 27.348 -7.424
328 HZ3 TRP 42 3HZ TRP 42 -6.130 24.353 -6.818
329 HH2 TRP 42 HH TRP 42 -5.314 26.330 -7.995
330 H ILE 43 H ILE 43 -3.024 23.002 -0.094
331 HA ILE 43 HA ILE 43 -3.312 25.791 0.777
332 HB ILE 43 HB ILE 43 -5.743 25.412 1.141
333 1HG1 ILE 43 2HG1 ILE 43 -6.510 23.476 -0.589
334 2HG1 ILE 43 1HG1 ILE 43 -5.007 22.778 0.007
335 1HG2 ILE 43 1HG2 ILE 43 -4.858 26.616 -0.829
336 2HG2 ILE 43 2HG2 ILE 43 -6.395 25.811 -1.145
337 3HG2 ILE 43 3HG2 ILE 43 -4.891 25.102 -1.734
338 1HD1 ILE 43 1HD1 ILE 43 -6.936 23.839 1.993
339 2HD1 ILE 43 2HD1 ILE 43 -5.823 22.477 2.108
340 3HD1 ILE 43 3HD1 ILE 43 -7.315 22.321 1.182
341 H TRP 44 H TRP 44 -1.774 23.589 1.872
342 HA TRP 44 HA TRP 44 -2.548 23.813 4.592
343 1HB TRP 44 2HB TRP 44 -3.993 21.880 3.349
344 2HB TRP 44 1HB TRP 44 -2.598 20.945 3.879
345 HD1 TRP 44 HD TRP 44 -4.121 23.822 5.933
346 HE1 TRP 44 1HE TRP 44 -5.010 22.854 8.146
347 HE3 TRP 44 3HE TRP 44 -3.381 18.851 4.999
348 HZ2 TRP 44 2HZ TRP 44 -5.351 20.318 9.338
349 HZ3 TRP 44 3HZ TRP 44 -4.016 17.218 6.728
350 HH2 TRP 44 HH TRP 44 -4.980 17.939 8.853
351 H ARG 45 H ARG 45 -1.281 21.572 5.663
352 HA ARG 45 HA ARG 45 1.425 21.668 4.521
353 1HB ARG 45 2HB ARG 45 0.772 21.983 7.455
354 2HB ARG 45 1HB ARG 45 2.386 21.916 6.761
355 1HG ARG 45 2HG ARG 45 2.350 24.070 6.180
356 2HG ARG 45 1HG ARG 45 0.700 23.972 5.565
357 1HD ARG 45 2HD ARG 45 0.095 25.170 7.343
358 2HD ARG 45 1HD ARG 45 0.399 23.724 8.304
359 HE ARG 45 HE ARG 45 2.286 24.716 9.142
360 1HH1 ARG 45 1HH1 ARG 45 1.205 26.511 6.351
361 2HH1 ARG 45 2HH1 ARG 45 2.319 27.813 6.602
362 1HH2 ARG 45 1HH2 ARG 45 3.751 26.427 9.473
363 2HH2 ARG 45 2HH2 ARG 45 3.765 27.766 8.374
364 HA PRO 46 HA PRO 46 0.276 17.343 5.807
365 1HB PRO 46 2HB PRO 46 -0.463 16.253 3.504
366 2HB PRO 46 1HB PRO 46 -1.572 17.319 4.376
367 1HG PRO 46 2HG PRO 46 0.121 17.892 1.983
368 2HG PRO 46 1HG PRO 46 -1.532 18.423 2.340
369 1HD PRO 46 2HD PRO 46 0.802 19.918 2.747
370 2HD PRO 46 1HD PRO 46 -0.791 20.266 3.445
371 H TRP 47 H TRP 47 0.992 15.244 4.242
372 HA TRP 47 HA TRP 47 2.846 13.981 3.824
373 1HB TRP 47 2HB TRP 47 2.403 14.836 1.614
374 2HB TRP 47 1HB TRP 47 3.270 16.326 1.963
375 HD1 TRP 47 HD TRP 47 4.580 12.766 2.699
376 HE1 TRP 47 1HE TRP 47 6.753 12.420 1.364
377 HE3 TRP 47 3HE TRP 47 4.613 17.142 0.054
378 HZ2 TRP 47 2HZ TRP 47 8.281 13.818 -0.554
379 HZ3 TRP 47 3HZ TRP 47 6.467 17.561 -1.509
380 HH2 TRP 47 HH TRP 47 8.263 15.932 -1.806
381 H VAL 48 H VAL 48 4.672 16.914 3.147
382 HA VAL 48 HA VAL 48 6.823 16.119 4.796
383 HB VAL 48 HB VAL 48 7.737 18.382 4.364
384 1HG1 VAL 48 1HG1 VAL 48 8.401 17.802 2.285
385 2HG1 VAL 48 2HG1 VAL 48 6.752 17.574 1.704
386 3HG1 VAL 48 3HG1 VAL 48 7.535 16.312 2.656
387 1HG2 VAL 48 1HG2 VAL 48 6.143 19.969 4.191
388 2HG2 VAL 48 2HG2 VAL 48 4.952 18.853 3.525
389 3HG2 VAL 48 3HG2 VAL 48 6.194 19.543 2.481
390 HA PRO 49 HA PRO 49 4.909 17.639 8.599
391 1HB PRO 49 2HB PRO 49 6.775 16.632 10.283
392 2HB PRO 49 1HB PRO 49 5.503 15.637 9.564
393 1HG PRO 49 2HG PRO 49 8.363 15.947 8.733
394 2HG PRO 49 1HG PRO 49 7.388 14.471 8.857
395 1HD PRO 49 2HD PRO 49 7.859 15.720 6.497
396 2HD PRO 49 1HD PRO 49 6.359 14.830 6.827
397 H GLY 50 H GLY 50 5.454 19.835 7.859
398 1HA GLY 50 2HA GLY 50 6.783 21.378 9.638
399 2HA GLY 50 1HA GLY 50 8.060 20.892 8.531
400 HA PRO 51 HA PRO 51 5.390 24.522 6.880
401 1HB PRO 51 2HB PRO 51 6.876 26.649 7.663
402 2HB PRO 51 1HB PRO 51 5.561 25.991 8.643
403 1HG PRO 51 2HG PRO 51 8.511 25.546 8.888
404 2HG PRO 51 1HG PRO 51 7.316 25.847 10.163
405 1HD PRO 51 2HD PRO 51 8.245 23.367 9.587
406 2HD PRO 51 1HD PRO 51 6.598 23.658 10.180
407 H ASN 52 H ASN 52 5.933 25.709 5.018
408 HA ASN 52 HA ASN 52 8.701 25.476 4.070
409 1HB ASN 52 2HB ASN 52 6.254 24.333 2.834
410 2HB ASN 52 1HB ASN 52 7.415 25.086 1.745
411 1HD2 ASN 52 1HD2 ASN 52 8.657 23.622 0.851
412 2HD2 ASN 52 2HD2 ASN 52 9.333 22.238 1.634
413 H GLY 53 H GLY 53 8.666 27.753 4.742
414 1HA GLY 53 2HA GLY 53 7.238 29.481 2.823
415 2HA GLY 53 1HA GLY 53 7.753 29.982 4.426
416 H TYR 54 H TYR 54 8.652 31.802 3.140
417 HA TYR 54 HA TYR 54 10.432 32.944 2.306
418 1HB TYR 54 2HB TYR 54 12.090 30.529 3.047
419 2HB TYR 54 1HB TYR 54 12.636 32.195 2.882
420 HD1 TYR 54 1HD TYR 54 10.569 33.653 4.390
421 HD2 TYR 54 2HD TYR 54 12.520 29.975 5.268
422 HE1 TYR 54 1HE TYR 54 10.174 34.023 6.790
423 HE2 TYR 54 2HE TYR 54 12.131 30.334 7.669
424 HH TYR 54 HH TYR 54 11.706 32.190 9.208
425 H SER 55 H SER 55 9.488 32.701 0.188
426 HA SER 55 HA SER 55 9.574 32.250 -2.038
427 1HB SER 55 2HB SER 55 11.688 32.115 -3.031
428 2HB SER 55 1HB SER 55 12.032 32.901 -1.490
429 HG SER 55 HG SER 55 12.792 30.430 -2.418
Start of MODEL 4
1 1H ALA 1 1H ALA 1 -6.179 -41.568 -9.550
2 HA ALA 1 HA ALA 1 -8.165 -40.920 -7.628
3 1HB ALA 1 1HB ALA 1 -7.019 -42.141 -5.970
4 2HB ALA 1 2HB ALA 1 -6.620 -40.448 -5.676
5 3HB ALA 1 3HB ALA 1 -5.453 -41.505 -6.471
6 H GLU 2 H GLU 2 -8.549 -38.951 -8.398
7 HA GLU 2 HA GLU 2 -6.550 -37.303 -9.572
8 1HB GLU 2 2HB GLU 2 -9.154 -37.388 -9.939
9 2HB GLU 2 1HB GLU 2 -9.171 -36.199 -8.644
10 1HG GLU 2 2HG GLU 2 -7.599 -34.814 -9.977
11 2HG GLU 2 1HG GLU 2 -7.770 -35.971 -11.295
12 H VAL 3 H VAL 3 -5.069 -37.366 -7.694
13 HA VAL 3 HA VAL 3 -5.767 -35.298 -5.710
14 HB VAL 3 HB VAL 3 -3.733 -37.490 -5.307
15 1HG1 VAL 3 1HG1 VAL 3 -4.420 -36.763 -2.851
16 2HG1 VAL 3 2HG1 VAL 3 -4.792 -35.248 -3.676
17 3HG1 VAL 3 3HG1 VAL 3 -3.164 -35.921 -3.758
18 1HG2 VAL 3 1HG2 VAL 3 -5.809 -38.621 -5.499
19 2HG2 VAL 3 2HG2 VAL 3 -6.643 -37.396 -4.542
20 3HG2 VAL 3 3HG2 VAL 3 -5.476 -38.473 -3.773
21 H LYS 4 H LYS 4 -4.978 -33.644 -7.096
22 HA LYS 4 HA LYS 4 -2.373 -33.635 -8.192
23 1HB LYS 4 2HB LYS 4 -4.416 -31.509 -7.634
24 2HB LYS 4 1HB LYS 4 -2.803 -31.066 -8.177
25 1HG LYS 4 2HG LYS 4 -3.455 -32.976 -9.988
26 2HG LYS 4 1HG LYS 4 -5.035 -32.263 -9.655
27 1HD LYS 4 2HD LYS 4 -4.325 -30.880 -11.335
28 2HD LYS 4 1HD LYS 4 -3.688 -30.009 -9.939
29 1HE LYS 4 2HE LYS 4 -2.060 -30.252 -11.802
30 2HE LYS 4 1HE LYS 4 -1.506 -30.941 -10.276
31 1HZ LYS 4 1HZ LYS 4 -2.914 -32.767 -12.037
32 2HZ LYS 4 2HZ LYS 4 -1.520 -33.013 -11.112
33 3HZ LYS 4 3HZ LYS 4 -1.415 -32.229 -12.607
34 H GLN 5 H GLN 5 -3.673 -31.834 -5.401
35 HA GLN 5 HA GLN 5 -1.469 -32.392 -3.728
36 1HB GLN 5 2HB GLN 5 -1.328 -29.938 -5.397
37 2HB GLN 5 1HB GLN 5 -0.870 -29.778 -3.707
38 1HG GLN 5 2HG GLN 5 0.502 -32.008 -4.412
39 2HG GLN 5 1HG GLN 5 0.515 -31.100 -5.924
40 1HE2 GLN 5 1HE2 GLN 5 0.721 -30.189 -2.500
41 2HE2 GLN 5 2HE2 GLN 5 2.181 -29.278 -2.652
42 H GLU 6 H GLU 6 -2.732 -32.618 -1.971
43 HA GLU 6 HA GLU 6 -5.084 -31.339 -1.355
44 1HB GLU 6 2HB GLU 6 -3.561 -33.202 -0.108
45 2HB GLU 6 1HB GLU 6 -3.295 -31.824 0.952
46 1HG GLU 6 2HG GLU 6 -6.095 -32.257 0.232
47 2HG GLU 6 1HG GLU 6 -5.363 -33.581 1.137
48 H SER 7 H SER 7 -1.796 -30.352 -0.478
49 HA SER 7 HA SER 7 -2.565 -27.984 0.885
50 1HB SER 7 2HB SER 7 -0.354 -29.198 1.120
51 2HB SER 7 1HB SER 7 0.101 -28.521 -0.444
52 HG SER 7 HG SER 7 -0.770 -26.904 1.706
53 H LEU 8 H LEU 8 -0.688 -26.177 -0.460
54 HA LEU 8 HA LEU 8 -0.416 -24.852 -2.303
55 1HB LEU 8 2HB LEU 8 -2.931 -26.043 -3.414
56 2HB LEU 8 1HB LEU 8 -1.771 -25.033 -4.248
57 HG LEU 8 HG LEU 8 -1.390 -27.884 -3.352
58 1HD1 LEU 8 1HD1 LEU 8 -1.941 -26.521 -5.903
59 2HD1 LEU 8 2HD1 LEU 8 -2.344 -28.154 -5.373
60 3HD1 LEU 8 3HD1 LEU 8 -0.718 -27.792 -5.953
61 1HD2 LEU 8 1HD2 LEU 8 0.871 -27.716 -4.285
62 2HD2 LEU 8 2HD2 LEU 8 0.653 -26.646 -2.900
63 3HD2 LEU 8 3HD2 LEU 8 0.634 -25.986 -4.535
64 H SER 9 H SER 9 -3.264 -25.249 -0.435
65 HA SER 9 HA SER 9 -4.745 -22.999 -1.161
66 1HB SER 9 2HB SER 9 -5.391 -23.062 1.386
67 2HB SER 9 1HB SER 9 -5.867 -24.393 0.331
68 HG SER 9 HG SER 9 -4.165 -24.382 2.458
69 H GLY 10 H GLY 10 -1.875 -23.345 0.798
70 1HA GLY 10 2HA GLY 10 -1.910 -20.668 1.828
71 2HA GLY 10 1HA GLY 10 -0.562 -21.795 1.895
72 H ILE 11 H ILE 11 -0.872 -22.160 -1.116
73 HA ILE 11 HA ILE 11 0.999 -20.103 -1.846
74 HB ILE 11 HB ILE 11 -0.343 -22.096 -3.673
75 1HG1 ILE 11 2HG1 ILE 11 2.288 -22.404 -2.214
76 2HG1 ILE 11 1HG1 ILE 11 0.786 -23.173 -1.713
77 1HG2 ILE 11 1HG2 ILE 11 1.890 -20.170 -3.935
78 2HG2 ILE 11 2HG2 ILE 11 0.708 -20.709 -5.129
79 3HG2 ILE 11 3HG2 ILE 11 2.080 -21.738 -4.720
80 1HD1 ILE 11 1HD1 ILE 11 2.600 -23.822 -3.943
81 2HD1 ILE 11 2HD1 ILE 11 0.873 -24.022 -4.238
82 3HD1 ILE 11 3HD1 ILE 11 1.644 -24.881 -2.906
83 H THR 12 H THR 12 -2.264 -21.023 -2.933
84 HA THR 12 HA THR 12 -2.621 -18.832 -4.670
85 HB THR 12 HB THR 12 -4.713 -20.467 -3.220
86 HG1 THR 12 1HG THR 12 -3.666 -20.803 -5.830
87 1HG2 THR 12 1HG2 THR 12 -4.916 -18.369 -5.259
88 2HG2 THR 12 2HG2 THR 12 -6.111 -18.960 -4.105
89 3HG2 THR 12 3HG2 THR 12 -5.814 -19.848 -5.599
90 H GLU 13 H GLU 13 -3.746 -19.386 -1.339
91 HA GLU 13 HA GLU 13 -4.857 -16.775 -1.063
92 1HB GLU 13 2HB GLU 13 -4.047 -18.691 1.129
93 2HB GLU 13 1HB GLU 13 -5.176 -17.351 1.266
94 1HG GLU 13 2HG GLU 13 -6.780 -18.447 -0.090
95 2HG GLU 13 1HG GLU 13 -5.622 -19.688 -0.567
96 H GLY 14 H GLY 14 -1.707 -18.153 -0.602
97 1HA GLY 14 2HA GLY 14 -0.666 -16.134 1.121
98 2HA GLY 14 1HA GLY 14 0.275 -17.277 0.174
99 H GLU 15 H GLU 15 -0.033 -16.753 -2.336
100 HA GLU 15 HA GLU 15 1.307 -14.314 -2.769
101 1HB GLU 15 2HB GLU 15 1.079 -14.800 -5.142
102 2HB GLU 15 1HB GLU 15 1.513 -16.263 -4.268
103 1HG GLU 15 2HG GLU 15 -0.109 -17.060 -5.658
104 2HG GLU 15 1HG GLU 15 -1.070 -16.654 -4.236
105 H ALA 16 H ALA 16 -2.061 -15.286 -3.194
106 HA ALA 16 HA ALA 16 -3.015 -12.957 -4.420
107 1HB ALA 16 1HB ALA 16 -4.396 -14.935 -2.612
108 2HB ALA 16 2HB ALA 16 -4.379 -14.921 -4.375
109 3HB ALA 16 3HB ALA 16 -5.232 -13.655 -3.492
110 H LYS 17 H LYS 17 -2.487 -13.772 -1.042
111 HA LYS 17 HA LYS 17 -3.759 -11.483 0.055
112 1HB LYS 17 2HB LYS 17 -3.334 -13.523 1.359
113 2HB LYS 17 1HB LYS 17 -1.602 -13.248 1.228
114 1HG LYS 17 2HG LYS 17 -2.306 -10.914 2.309
115 2HG LYS 17 1HG LYS 17 -3.612 -11.920 2.940
116 1HD LYS 17 2HD LYS 17 -2.241 -13.040 4.329
117 2HD LYS 17 1HD LYS 17 -0.940 -13.117 3.141
118 1HE LYS 17 2HE LYS 17 -1.504 -10.444 4.240
119 2HE LYS 17 1HE LYS 17 -0.862 -11.616 5.390
120 1HZ LYS 17 1HZ LYS 17 0.423 -11.216 2.763
121 2HZ LYS 17 2HZ LYS 17 1.087 -11.851 4.183
122 3HZ LYS 17 3HZ LYS 17 0.776 -10.193 4.064
123 H GLU 18 H GLU 18 -0.339 -12.272 -0.548
124 HA GLU 18 HA GLU 18 0.749 -9.861 0.353
125 1HB GLU 18 2HB GLU 18 1.958 -12.026 -0.267
126 2HB GLU 18 1HB GLU 18 1.879 -11.468 -1.933
127 1HG GLU 18 2HG GLU 18 2.906 -9.291 -0.637
128 2HG GLU 18 1HG GLU 18 3.626 -10.636 0.246
129 H PHE 19 H PHE 19 0.104 -10.831 -3.016
130 HA PHE 19 HA PHE 19 0.666 -8.384 -4.205
131 1HB PHE 19 2HB PHE 19 -1.114 -10.667 -5.022
132 2HB PHE 19 1HB PHE 19 -0.925 -9.238 -6.033
133 HD1 PHE 19 1HD PHE 19 1.808 -8.566 -6.015
134 HD2 PHE 19 2HD PHE 19 0.059 -12.442 -5.863
135 HE1 PHE 19 1HE PHE 19 3.855 -9.523 -6.987
136 HE2 PHE 19 2HE PHE 19 2.103 -13.407 -6.835
137 HZ PHE 19 HZ PHE 19 4.005 -11.946 -7.398
138 H HIS 20 H HIS 20 -2.153 -9.442 -2.471
139 HA HIS 20 HA HIS 20 -3.916 -7.424 -3.463
140 1HB HIS 20 2HB HIS 20 -3.998 -9.488 -1.328
141 2HB HIS 20 1HB HIS 20 -5.078 -8.111 -1.145
142 HD1 HIS 20 1HD HIS 20 -7.171 -9.556 -1.550
143 HD2 HIS 20 2HD HIS 20 -4.475 -9.569 -4.712
144 HE1 HIS 20 1HE HIS 20 -8.405 -10.592 -3.480
145 HE2 HIS 20 2HE HIS 20 -6.726 -10.668 -5.357
146 H LYS 21 H LYS 21 -2.362 -7.860 -0.281
147 HA LYS 21 HA LYS 21 -3.055 -5.339 0.729
148 1HB LYS 21 2HB LYS 21 -2.324 -7.200 2.148
149 2HB LYS 21 1HB LYS 21 -0.708 -7.097 1.462
150 1HG LYS 21 2HG LYS 21 -1.005 -4.570 2.331
151 2HG LYS 21 1HG LYS 21 -2.015 -5.423 3.500
152 1HD LYS 21 2HD LYS 21 -0.249 -6.418 4.486
153 2HD LYS 21 1HD LYS 21 0.583 -6.685 2.952
154 1HE LYS 21 2HE LYS 21 0.376 -3.884 3.867
155 2HE LYS 21 1HE LYS 21 1.424 -4.940 4.813
156 1HZ LYS 21 1HZ LYS 21 1.730 -3.988 2.076
157 2HZ LYS 21 2HZ LYS 21 2.240 -5.570 2.388
158 3HZ LYS 21 3HZ LYS 21 2.904 -4.280 3.258
159 H ILE 22 H ILE 22 -0.111 -6.431 -0.925
160 HA ILE 22 HA ILE 22 1.298 -4.010 -0.673
161 HB ILE 22 HB ILE 22 2.857 -4.884 -2.214
162 1HG1 ILE 22 2HG1 ILE 22 0.731 -6.826 -3.119
163 2HG1 ILE 22 1HG1 ILE 22 1.334 -5.453 -4.039
164 1HG2 ILE 22 1HG2 ILE 22 2.500 -7.528 -1.441
165 2HG2 ILE 22 2HG2 ILE 22 1.763 -6.569 -0.159
166 3HG2 ILE 22 3HG2 ILE 22 3.444 -6.292 -0.611
167 1HD1 ILE 22 1HD1 ILE 22 2.597 -7.059 -4.988
168 2HD1 ILE 22 2HD1 ILE 22 2.551 -8.095 -3.563
169 3HD1 ILE 22 3HD1 ILE 22 3.643 -6.710 -3.612
170 H PHE 23 H PHE 23 -0.826 -5.266 -3.224
171 HA PHE 23 HA PHE 23 -0.406 -3.215 -5.091
172 1HB PHE 23 2HB PHE 23 -1.531 -5.281 -5.718
173 2HB PHE 23 1HB PHE 23 -2.850 -4.936 -4.605
174 HD1 PHE 23 1HD PHE 23 -4.770 -4.002 -5.451
175 HD2 PHE 23 2HD PHE 23 -1.100 -3.398 -7.517
176 HE1 PHE 23 1HE PHE 23 -5.978 -2.830 -7.245
177 HE2 PHE 23 2HE PHE 23 -2.300 -2.224 -9.316
178 HZ PHE 23 HZ PHE 23 -4.743 -1.937 -9.181
179 H THR 24 H THR 24 -3.188 -3.650 -2.911
180 HA THR 24 HA THR 24 -4.285 -1.120 -3.281
181 HB THR 24 HB THR 24 -5.202 -1.576 -0.878
182 HG1 THR 24 1HG THR 24 -4.397 -4.201 -1.496
183 1HG2 THR 24 1HG2 THR 24 -6.741 -3.321 -1.759
184 2HG2 THR 24 2HG2 THR 24 -5.778 -3.329 -3.237
185 3HG2 THR 24 3HG2 THR 24 -6.623 -1.862 -2.742
186 H SER 25 H SER 25 -1.826 -2.251 -1.022
187 HA SER 25 HA SER 25 -1.622 -0.094 0.674
188 1HB SER 25 2HB SER 25 0.333 -2.087 -0.378
189 2HB SER 25 1HB SER 25 0.973 -0.685 0.479
190 HG SER 25 HG SER 25 0.530 -1.834 2.184
191 H SER 26 H SER 26 0.400 -0.542 -2.225
192 HA SER 26 HA SER 26 1.439 2.038 -2.307
193 1HB SER 26 2HB SER 26 2.249 1.513 -4.459
194 2HB SER 26 1HB SER 26 2.158 -0.042 -3.632
195 HG SER 26 HG SER 26 0.251 -0.480 -4.726
196 H ILE 27 H ILE 27 -1.578 0.767 -3.609
197 HA ILE 27 HA ILE 27 -2.230 2.967 -5.246
198 HB ILE 27 HB ILE 27 -3.995 0.909 -3.925
199 1HG1 ILE 27 2HG1 ILE 27 -2.335 0.175 -5.669
200 2HG1 ILE 27 1HG1 ILE 27 -4.016 -0.164 -6.068
201 1HG2 ILE 27 1HG2 ILE 27 -5.576 2.517 -4.299
202 2HG2 ILE 27 2HG2 ILE 27 -5.562 1.736 -5.880
203 3HG2 ILE 27 3HG2 ILE 27 -4.682 3.244 -5.635
204 1HD1 ILE 27 1HD1 ILE 27 -3.266 2.404 -7.091
205 2HD1 ILE 27 2HD1 ILE 27 -3.840 0.975 -7.952
206 3HD1 ILE 27 3HD1 ILE 27 -2.119 1.174 -7.621
207 H LEU 28 H LEU 28 -3.769 2.117 -2.130
208 HA LEU 28 HA LEU 28 -5.064 4.558 -1.791
209 1HB LEU 28 2HB LEU 28 -5.209 3.898 0.622
210 2HB LEU 28 1HB LEU 28 -5.802 2.709 -0.522
211 HG LEU 28 HG LEU 28 -3.120 2.035 -0.136
212 1HD1 LEU 28 1HD1 LEU 28 -3.325 3.621 1.858
213 2HD1 LEU 28 2HD1 LEU 28 -2.691 2.001 2.154
214 3HD1 LEU 28 3HD1 LEU 28 -4.363 2.384 2.567
215 1HD2 LEU 28 1HD2 LEU 28 -3.974 0.002 0.509
216 2HD2 LEU 28 2HD2 LEU 28 -5.359 0.695 -0.335
217 3HD2 LEU 28 3HD2 LEU 28 -5.295 0.725 1.428
218 H VAL 29 H VAL 29 -1.862 3.547 -0.678
219 HA VAL 29 HA VAL 29 -1.366 5.851 0.881
220 HB VAL 29 HB VAL 29 0.923 5.146 0.968
221 1HG1 VAL 29 1HG1 VAL 29 0.493 2.574 1.371
222 2HG1 VAL 29 2HG1 VAL 29 -1.188 3.080 1.204
223 3HG1 VAL 29 3HG1 VAL 29 -0.168 3.806 2.447
224 1HG2 VAL 29 1HG2 VAL 29 1.646 4.611 -1.144
225 2HG2 VAL 29 2HG2 VAL 29 0.233 3.616 -1.488
226 3HG2 VAL 29 3HG2 VAL 29 1.498 3.007 -0.423
227 H PHE 30 H PHE 30 -0.691 4.989 -2.478
228 HA PHE 30 HA PHE 30 0.891 7.213 -3.146
229 1HB PHE 30 2HB PHE 30 0.731 5.267 -4.609
230 2HB PHE 30 1HB PHE 30 -0.982 5.573 -4.871
231 HD1 PHE 30 1HD PHE 30 -1.216 6.075 -7.115
232 HD2 PHE 30 2HD PHE 30 1.923 7.901 -4.896
233 HE1 PHE 30 1HE PHE 30 -0.664 7.479 -9.058
234 HE2 PHE 30 2HE PHE 30 2.480 9.308 -6.835
235 HZ PHE 30 HZ PHE 30 1.186 9.099 -8.920
236 H PHE 31 H PHE 31 -2.465 6.703 -4.196
237 HA PHE 31 HA PHE 31 -2.992 9.400 -4.747
238 1HB PHE 31 2HB PHE 31 -4.557 6.913 -4.508
239 2HB PHE 31 1HB PHE 31 -5.465 8.389 -4.196
240 HD1 PHE 31 1HD PHE 31 -2.707 7.714 -6.604
241 HD2 PHE 31 2HD PHE 31 -6.802 8.731 -6.047
242 HE1 PHE 31 1HE PHE 31 -2.943 8.076 -9.026
243 HE2 PHE 31 2HE PHE 31 -7.046 9.093 -8.469
244 HZ PHE 31 HZ PHE 31 -5.114 8.766 -9.962
245 H GLY 32 H GLY 32 -3.206 7.500 -1.828
246 1HA GLY 32 2HA GLY 32 -4.840 9.117 -0.255
247 2HA GLY 32 1HA GLY 32 -3.551 8.092 0.359
248 H VAL 33 H VAL 33 -1.284 9.164 -0.500
249 HA VAL 33 HA VAL 33 -0.962 11.444 1.107
250 HB VAL 33 HB VAL 33 0.625 9.499 -0.311
251 1HG1 VAL 33 1HG1 VAL 33 1.389 11.043 -1.837
252 2HG1 VAL 33 2HG1 VAL 33 2.618 11.045 -0.575
253 3HG1 VAL 33 3HG1 VAL 33 1.430 12.346 -0.651
254 1HG2 VAL 33 1HG2 VAL 33 2.299 10.380 1.452
255 2HG2 VAL 33 2HG2 VAL 33 0.855 9.495 1.948
256 3HG2 VAL 33 3HG2 VAL 33 0.892 11.255 2.060
257 H ALA 34 H ALA 34 -0.446 10.956 -2.378
258 HA ALA 34 HA ALA 34 -0.052 13.521 -3.204
259 1HB ALA 34 1HB ALA 34 -0.125 11.356 -4.582
260 2HB ALA 34 2HB ALA 34 -0.653 12.845 -5.365
261 3HB ALA 34 3HB ALA 34 -1.846 11.691 -4.770
262 H ALA 35 H ALA 35 -3.101 11.981 -2.368
263 HA ALA 35 HA ALA 35 -4.818 14.049 -3.245
264 1HB ALA 35 1HB ALA 35 -5.819 11.953 -2.866
265 2HB ALA 35 2HB ALA 35 -6.435 12.999 -1.587
266 3HB ALA 35 3HB ALA 35 -5.154 11.839 -1.236
267 H PHE 36 H PHE 36 -4.406 13.167 0.177
268 HA PHE 36 HA PHE 36 -5.129 15.684 1.159
269 1HB PHE 36 2HB PHE 36 -3.917 13.234 2.272
270 2HB PHE 36 1HB PHE 36 -3.580 14.708 3.173
271 HD1 PHE 36 1HD PHE 36 -6.434 12.882 1.623
272 HD2 PHE 36 2HD PHE 36 -5.075 15.389 4.780
273 HE1 PHE 36 1HE PHE 36 -8.646 12.729 2.690
274 HE2 PHE 36 2HE PHE 36 -7.284 15.242 5.854
275 HZ PHE 36 HZ PHE 36 -9.073 13.911 4.809
276 H ALA 37 H ALA 37 -1.905 14.254 0.829
277 HA ALA 37 HA ALA 37 -0.289 16.234 1.759
278 1HB ALA 37 1HB ALA 37 0.357 14.768 -0.786
279 2HB ALA 37 2HB ALA 37 0.348 13.967 0.785
280 3HB ALA 37 3HB ALA 37 1.459 15.302 0.482
281 H HIS 38 H HIS 38 -1.204 15.944 -1.698
282 HA HIS 38 HA HIS 38 -0.205 18.533 -2.326
283 1HB HIS 38 2HB HIS 38 -2.190 16.914 -3.929
284 2HB HIS 38 1HB HIS 38 -1.138 18.193 -4.521
285 HD1 HIS 38 1HD HIS 38 1.232 16.739 -2.618
286 HD2 HIS 38 2HD HIS 38 -0.852 15.284 -5.906
287 HE1 HIS 38 1HE HIS 38 2.669 14.907 -3.569
288 HE2 HIS 38 2HE HIS 38 1.349 13.986 -5.506
289 H LEU 39 H LEU 39 -3.143 17.433 -0.948
290 HA LEU 39 HA LEU 39 -4.858 19.502 -1.848
291 1HB LEU 39 2HB LEU 39 -4.989 17.279 -0.015
292 2HB LEU 39 1HB LEU 39 -5.726 18.698 0.701
293 HG LEU 39 HG LEU 39 -7.242 18.907 -1.198
294 1HD1 LEU 39 1HD1 LEU 39 -5.444 17.690 -2.707
295 2HD1 LEU 39 2HD1 LEU 39 -7.164 17.653 -3.097
296 3HD1 LEU 39 3HD1 LEU 39 -6.413 16.275 -2.292
297 1HD2 LEU 39 1HD2 LEU 39 -8.612 16.972 -0.765
298 2HD2 LEU 39 2HD2 LEU 39 -7.852 17.497 0.737
299 3HD2 LEU 39 3HD2 LEU 39 -7.225 16.091 -0.122
300 H LEU 40 H LEU 40 -2.456 19.290 0.656
301 HA LEU 40 HA LEU 40 -3.267 21.932 1.666
302 1HB LEU 40 2HB LEU 40 -1.205 20.866 3.287
303 2HB LEU 40 1HB LEU 40 -2.882 21.146 3.705
304 HG LEU 40 HG LEU 40 -1.955 18.605 2.378
305 1HD1 LEU 40 1HD1 LEU 40 -2.013 19.355 5.280
306 2HD1 LEU 40 2HD1 LEU 40 -0.724 18.580 4.359
307 3HD1 LEU 40 3HD1 LEU 40 -2.190 17.682 4.753
308 1HD2 LEU 40 1HD2 LEU 40 -4.037 17.715 3.104
309 2HD2 LEU 40 2HD2 LEU 40 -4.382 19.259 2.323
310 3HD2 LEU 40 3HD2 LEU 40 -4.378 19.142 4.083
311 H VAL 41 H VAL 41 -0.290 20.079 0.984
312 HA VAL 41 HA VAL 41 1.358 22.389 0.915
313 HB VAL 41 HB VAL 41 3.118 20.959 0.106
314 1HG1 VAL 41 1HG1 VAL 41 1.948 20.706 2.493
315 2HG1 VAL 41 2HG1 VAL 41 3.355 19.759 2.012
316 3HG1 VAL 41 3HG1 VAL 41 1.741 19.057 1.904
317 1HG2 VAL 41 1HG2 VAL 41 2.746 19.274 -1.293
318 2HG2 VAL 41 2HG2 VAL 41 1.011 19.540 -1.141
319 3HG2 VAL 41 3HG2 VAL 41 1.829 18.420 -0.053
320 H TRP 42 H TRP 42 -0.895 21.245 -1.314
321 HA TRP 42 HA TRP 42 -1.326 21.680 -3.511
322 1HB TRP 42 2HB TRP 42 -1.244 23.997 -2.429
323 2HB TRP 42 1HB TRP 42 0.355 24.156 -3.147
324 HD1 TRP 42 HD TRP 42 -2.184 22.340 -5.263
325 HE1 TRP 42 1HE TRP 42 -2.903 23.850 -7.221
326 HE3 TRP 42 3HE TRP 42 -0.032 26.722 -3.743
327 HZ2 TRP 42 2HZ TRP 42 -2.597 26.541 -8.014
328 HZ3 TRP 42 3HZ TRP 42 -0.293 28.718 -5.159
329 HH2 TRP 42 HH TRP 42 -1.549 28.628 -7.250
330 H ILE 43 H ILE 43 0.310 19.804 -3.741
331 HA ILE 43 HA ILE 43 1.848 18.810 -5.093
332 HB ILE 43 HB ILE 43 2.253 21.491 -6.412
333 1HG1 ILE 43 2HG1 ILE 43 0.561 19.869 -7.983
334 2HG1 ILE 43 1HG1 ILE 43 -0.091 19.810 -6.349
335 1HG2 ILE 43 1HG2 ILE 43 3.896 20.202 -7.311
336 2HG2 ILE 43 2HG2 ILE 43 2.571 19.725 -8.371
337 3HG2 ILE 43 3HG2 ILE 43 3.031 18.695 -7.015
338 1HD1 ILE 43 1HD1 ILE 43 -1.175 21.599 -7.386
339 2HD1 ILE 43 2HD1 ILE 43 0.316 22.196 -8.113
340 3HD1 ILE 43 3HD1 ILE 43 0.060 22.346 -6.375
341 H TRP 44 H TRP 44 2.527 20.768 -2.702
342 HA TRP 44 HA TRP 44 4.403 20.905 -1.397
343 1HB TRP 44 2HB TRP 44 5.220 18.997 -3.182
344 2HB TRP 44 1HB TRP 44 6.405 20.270 -3.452
345 HD1 TRP 44 HD TRP 44 4.920 19.505 0.011
346 HE1 TRP 44 1HE TRP 44 6.821 18.703 1.550
347 HE3 TRP 44 3HE TRP 44 8.690 19.227 -3.431
348 HZ2 TRP 44 2HZ TRP 44 9.556 18.038 1.333
349 HZ3 TRP 44 3HZ TRP 44 10.918 18.499 -2.685
350 HH2 TRP 44 HH TRP 44 11.341 17.918 -0.351
351 H ARG 45 H ARG 45 5.659 21.690 -4.640
352 HA ARG 45 HA ARG 45 7.059 23.954 -3.870
353 1HB ARG 45 2HB ARG 45 6.217 22.743 -6.386
354 2HB ARG 45 1HB ARG 45 6.339 24.494 -6.484
355 1HG ARG 45 2HG ARG 45 8.649 24.166 -5.381
356 2HG ARG 45 1HG ARG 45 8.472 22.486 -5.890
357 1HD ARG 45 2HD ARG 45 7.908 23.503 -8.204
358 2HD ARG 45 1HD ARG 45 8.669 24.960 -7.565
359 HE ARG 45 HE ARG 45 10.276 22.603 -7.250
360 1HH1 ARG 45 1HH1 ARG 45 9.399 25.184 -9.429
361 2HH1 ARG 45 2HH1 ARG 45 10.869 25.084 -10.339
362 1HH2 ARG 45 1HH2 ARG 45 12.209 22.470 -8.445
363 2HH2 ARG 45 2HH2 ARG 45 12.465 23.543 -9.781
364 HA PRO 46 HA PRO 46 3.309 26.716 -5.547
365 1HB PRO 46 2HB PRO 46 1.195 24.709 -4.905
366 2HB PRO 46 1HB PRO 46 1.236 25.933 -6.179
367 1HG PRO 46 2HG PRO 46 1.707 23.366 -6.730
368 2HG PRO 46 1HG PRO 46 2.598 24.661 -7.547
369 1HD PRO 46 2HD PRO 46 3.502 22.787 -5.426
370 2HD PRO 46 1HD PRO 46 4.427 23.560 -6.727
371 H TRP 47 H TRP 47 2.687 24.331 -2.971
372 HA TRP 47 HA TRP 47 2.258 24.571 -0.749
373 1HB TRP 47 2HB TRP 47 4.280 26.008 -0.809
374 2HB TRP 47 1HB TRP 47 3.252 27.402 -1.129
375 HD1 TRP 47 HD TRP 47 3.058 28.796 0.996
376 HE1 TRP 47 1HE TRP 47 2.763 28.314 3.508
377 HE3 TRP 47 3HE TRP 47 3.169 23.686 0.863
378 HZ2 TRP 47 2HZ TRP 47 2.599 26.067 5.207
379 HZ3 TRP 47 3HZ TRP 47 2.937 22.446 2.976
380 HH2 TRP 47 HH TRP 47 2.658 23.613 5.103
381 H VAL 48 H VAL 48 0.273 24.601 0.007
382 HA VAL 48 HA VAL 48 -1.940 25.068 0.233
383 HB VAL 48 HB VAL 48 -2.440 27.418 0.959
384 1HG1 VAL 48 1HG1 VAL 48 -0.396 25.651 2.201
385 2HG1 VAL 48 2HG1 VAL 48 -2.024 26.056 2.746
386 3HG1 VAL 48 3HG1 VAL 48 -0.713 27.223 2.934
387 1HG2 VAL 48 1HG2 VAL 48 -0.624 28.965 1.303
388 2HG2 VAL 48 2HG2 VAL 48 -0.686 28.520 -0.401
389 3HG2 VAL 48 3HG2 VAL 48 0.535 27.809 0.652
390 HA PRO 49 HA PRO 49 -3.261 26.060 -3.941
391 1HB PRO 49 2HB PRO 49 -5.936 25.601 -3.444
392 2HB PRO 49 1HB PRO 49 -4.768 24.356 -3.896
393 1HG PRO 49 2HG PRO 49 -5.812 25.086 -1.196
394 2HG PRO 49 1HG PRO 49 -5.467 23.485 -1.870
395 1HD PRO 49 2HD PRO 49 -3.798 24.686 -0.139
396 2HD PRO 49 1HD PRO 49 -3.196 23.663 -1.461
397 H GLY 50 H GLY 50 -5.993 26.927 -1.861
398 1HA GLY 50 2HA GLY 50 -6.301 29.233 -1.085
399 2HA GLY 50 1HA GLY 50 -5.520 29.756 -2.569
400 HA PRO 51 HA PRO 51 -9.192 29.913 -5.015
401 1HB PRO 51 2HB PRO 51 -8.715 27.243 -6.257
402 2HB PRO 51 1HB PRO 51 -9.036 28.801 -7.027
403 1HG PRO 51 2HG PRO 51 -6.579 27.788 -7.011
404 2HG PRO 51 1HG PRO 51 -6.844 29.526 -6.778
405 1HD PRO 51 2HD PRO 51 -6.157 27.425 -4.771
406 2HD PRO 51 1HD PRO 51 -5.636 29.121 -4.855
407 H ASN 52 H ASN 52 -8.632 26.935 -3.287
408 HA ASN 52 HA ASN 52 -11.042 25.626 -3.492
409 1HB ASN 52 2HB ASN 52 -8.962 25.827 -1.376
410 2HB ASN 52 1HB ASN 52 -10.510 25.124 -0.916
411 1HD2 ASN 52 1HD2 ASN 52 -8.473 23.502 -0.689
412 2HD2 ASN 52 2HD2 ASN 52 -8.414 22.342 -1.967
413 H GLY 53 H GLY 53 -10.325 28.580 -1.792
414 1HA GLY 53 2HA GLY 53 -12.901 28.546 -0.413
415 2HA GLY 53 1HA GLY 53 -11.629 29.741 -0.210
416 H TYR 54 H TYR 54 -12.250 31.680 -0.862
417 HA TYR 54 HA TYR 54 -13.236 33.359 -2.040
418 1HB TYR 54 2HB TYR 54 -12.720 31.312 -4.176
419 2HB TYR 54 1HB TYR 54 -13.569 32.803 -4.564
420 HD1 TYR 54 1HD TYR 54 -10.592 31.983 -2.449
421 HD2 TYR 54 2HD TYR 54 -12.187 34.294 -5.646
422 HE1 TYR 54 1HE TYR 54 -8.436 33.142 -2.679
423 HE2 TYR 54 2HE TYR 54 -10.035 35.460 -5.885
424 HH TYR 54 HH TYR 54 -7.379 34.596 -5.113
425 H SER 55 H SER 55 -14.941 31.591 -0.591
426 HA SER 55 HA SER 55 -17.149 31.147 -0.283
427 1HB SER 55 2HB SER 55 -17.656 33.419 -0.660
428 2HB SER 55 1HB SER 55 -17.294 33.302 -2.382
429 HG SER 55 HG SER 55 -19.361 33.002 -2.581
Start of MODEL 5
1 1H ALA 1 1H ALA 1 -8.345 -24.580 -9.727
2 HA ALA 1 HA ALA 1 -9.344 -26.986 -8.604
3 1HB ALA 1 1HB ALA 1 -7.328 -27.235 -6.939
4 2HB ALA 1 2HB ALA 1 -6.413 -26.571 -8.292
5 3HB ALA 1 3HB ALA 1 -7.328 -28.065 -8.494
6 H GLU 2 H GLU 2 -10.182 -26.662 -6.556
7 HA GLU 2 HA GLU 2 -9.929 -23.912 -5.537
8 1HB GLU 2 2HB GLU 2 -12.176 -25.842 -4.960
9 2HB GLU 2 1HB GLU 2 -12.141 -24.111 -4.653
10 1HG GLU 2 2HG GLU 2 -11.913 -25.189 -7.434
11 2HG GLU 2 1HG GLU 2 -13.482 -24.982 -6.658
12 H VAL 3 H VAL 3 -10.013 -27.313 -4.599
13 HA VAL 3 HA VAL 3 -8.184 -27.009 -2.502
14 HB VAL 3 HB VAL 3 -10.008 -25.813 -1.373
15 1HG1 VAL 3 1HG1 VAL 3 -12.087 -26.814 -0.835
16 2HG1 VAL 3 2HG1 VAL 3 -11.555 -28.394 -1.409
17 3HG1 VAL 3 3HG1 VAL 3 -11.833 -27.086 -2.559
18 1HG2 VAL 3 1HG2 VAL 3 -9.715 -26.809 0.693
19 2HG2 VAL 3 2HG2 VAL 3 -8.351 -27.453 -0.222
20 3HG2 VAL 3 3HG2 VAL 3 -9.788 -28.443 0.032
21 H LYS 4 H LYS 4 -11.055 -28.806 -3.537
22 HA LYS 4 HA LYS 4 -11.561 -31.061 -3.331
23 1HB LYS 4 2HB LYS 4 -9.134 -30.720 -5.043
24 2HB LYS 4 1HB LYS 4 -9.753 -32.339 -4.745
25 1HG LYS 4 2HG LYS 4 -11.978 -31.541 -5.574
26 2HG LYS 4 1HG LYS 4 -11.181 -30.043 -6.060
27 1HD LYS 4 2HD LYS 4 -10.297 -32.775 -6.977
28 2HD LYS 4 1HD LYS 4 -11.430 -31.763 -7.877
29 1HE LYS 4 2HE LYS 4 -9.795 -30.082 -8.221
30 2HE LYS 4 1HE LYS 4 -8.696 -30.816 -7.053
31 1HZ LYS 4 1HZ LYS 4 -8.219 -32.570 -8.508
32 2HZ LYS 4 2HZ LYS 4 -8.191 -31.190 -9.487
33 3HZ LYS 4 3HZ LYS 4 -9.531 -32.222 -9.519
34 H GLN 5 H GLN 5 -10.330 -30.306 -0.936
35 HA GLN 5 HA GLN 5 -9.502 -32.818 0.061
36 1HB GLN 5 2HB GLN 5 -7.416 -31.026 -0.917
37 2HB GLN 5 1HB GLN 5 -7.191 -31.455 0.773
38 1HG GLN 5 2HG GLN 5 -7.720 -33.881 -0.244
39 2HG GLN 5 1HG GLN 5 -6.984 -33.115 -1.650
40 1HE2 GLN 5 1HE2 GLN 5 -6.380 -32.955 1.844
41 2HE2 GLN 5 2HE2 GLN 5 -4.700 -33.344 1.744
42 H GLU 6 H GLU 6 -8.244 -29.653 0.985
43 HA GLU 6 HA GLU 6 -10.166 -28.855 2.806
44 1HB GLU 6 2HB GLU 6 -8.623 -29.489 4.901
45 2HB GLU 6 1HB GLU 6 -9.942 -30.514 4.358
46 1HG GLU 6 2HG GLU 6 -8.568 -32.168 3.756
47 2HG GLU 6 1HG GLU 6 -7.398 -31.067 3.032
48 H SER 7 H SER 7 -6.675 -29.254 3.350
49 HA SER 7 HA SER 7 -6.279 -26.495 3.888
50 1HB SER 7 2HB SER 7 -3.944 -28.101 3.016
51 2HB SER 7 1HB SER 7 -4.152 -27.102 4.455
52 HG SER 7 HG SER 7 -5.598 -28.853 5.187
53 H LEU 8 H LEU 8 -3.874 -26.054 2.350
54 HA LEU 8 HA LEU 8 -3.084 -25.451 0.313
55 1HB LEU 8 2HB LEU 8 -5.637 -26.271 -0.972
56 2HB LEU 8 1HB LEU 8 -4.029 -26.181 -1.662
57 HG LEU 8 HG LEU 8 -4.116 -28.106 0.495
58 1HD1 LEU 8 1HD1 LEU 8 -6.184 -28.905 0.157
59 2HD1 LEU 8 2HD1 LEU 8 -5.471 -29.656 -1.270
60 3HD1 LEU 8 3HD1 LEU 8 -6.339 -28.128 -1.418
61 1HD2 LEU 8 1HD2 LEU 8 -3.286 -29.582 -1.372
62 2HD2 LEU 8 2HD2 LEU 8 -2.328 -28.135 -1.055
63 3HD2 LEU 8 3HD2 LEU 8 -3.430 -28.180 -2.432
64 H SER 9 H SER 9 -6.537 -24.788 0.856
65 HA SER 9 HA SER 9 -6.781 -22.504 -0.697
66 1HB SER 9 2HB SER 9 -8.121 -22.486 1.963
67 2HB SER 9 1HB SER 9 -8.792 -22.172 0.363
68 HG SER 9 HG SER 9 -9.485 -24.177 1.338
69 H GLY 10 H GLY 10 -5.208 -22.996 2.359
70 1HA GLY 10 2HA GLY 10 -4.923 -20.194 2.966
71 2HA GLY 10 1HA GLY 10 -4.148 -21.532 3.803
72 H ILE 11 H ILE 11 -3.236 -22.525 1.046
73 HA ILE 11 HA ILE 11 -0.713 -21.118 1.093
74 HB ILE 11 HB ILE 11 -1.601 -23.226 -0.876
75 1HG1 ILE 11 2HG1 ILE 11 -0.142 -23.630 1.744
76 2HG1 ILE 11 1HG1 ILE 11 -1.849 -23.979 1.492
77 1HG2 ILE 11 1HG2 ILE 11 0.877 -23.665 -0.943
78 2HG2 ILE 11 2HG2 ILE 11 1.087 -22.171 -0.027
79 3HG2 ILE 11 3HG2 ILE 11 0.359 -22.126 -1.633
80 1HD1 ILE 11 1HD1 ILE 11 0.544 -25.380 0.381
81 2HD1 ILE 11 2HD1 ILE 11 -1.032 -25.514 -0.399
82 3HD1 ILE 11 3HD1 ILE 11 -0.828 -26.042 1.271
83 H THR 12 H THR 12 -3.136 -21.780 -1.441
84 HA THR 12 HA THR 12 -2.066 -19.968 -3.313
85 HB THR 12 HB THR 12 -4.907 -20.978 -3.067
86 HG1 THR 12 1HG THR 12 -2.715 -22.000 -4.546
87 1HG2 THR 12 1HG2 THR 12 -3.728 -20.404 -5.702
88 2HG2 THR 12 2HG2 THR 12 -4.172 -19.009 -4.718
89 3HG2 THR 12 3HG2 THR 12 -5.386 -20.221 -5.128
90 H GLU 13 H GLU 13 -4.755 -19.656 -1.008
91 HA GLU 13 HA GLU 13 -5.306 -16.943 -1.699
92 1HB GLU 13 2HB GLU 13 -6.873 -18.657 -0.584
93 2HB GLU 13 1HB GLU 13 -6.055 -18.236 0.913
94 1HG GLU 13 2HG GLU 13 -6.996 -15.942 -0.645
95 2HG GLU 13 1HG GLU 13 -8.270 -17.006 -0.050
96 H GLY 14 H GLY 14 -3.194 -18.534 0.572
97 1HA GLY 14 2HA GLY 14 -2.700 -16.347 2.292
98 2HA GLY 14 1HA GLY 14 -1.638 -17.727 2.057
99 H GLU 15 H GLU 15 -0.576 -17.645 -0.263
100 HA GLU 15 HA GLU 15 1.167 -15.434 -0.261
101 1HB GLU 15 2HB GLU 15 0.623 -17.343 -2.544
102 2HB GLU 15 1HB GLU 15 2.052 -16.341 -2.338
103 1HG GLU 15 2HG GLU 15 2.842 -17.629 -0.556
104 2HG GLU 15 1HG GLU 15 1.275 -18.398 -0.305
105 H ALA 16 H ALA 16 -1.650 -16.238 -2.236
106 HA ALA 16 HA ALA 16 -1.514 -14.099 -4.038
107 1HB ALA 16 1HB ALA 16 -3.869 -14.533 -4.468
108 2HB ALA 16 2HB ALA 16 -3.980 -15.490 -2.991
109 3HB ALA 16 3HB ALA 16 -2.980 -16.049 -4.332
110 H LYS 17 H LYS 17 -3.003 -14.376 -0.848
111 HA LYS 17 HA LYS 17 -4.288 -11.871 -0.824
112 1HB LYS 17 2HB LYS 17 -4.862 -13.622 0.767
113 2HB LYS 17 1HB LYS 17 -3.249 -13.555 1.462
114 1HG LYS 17 2HG LYS 17 -3.640 -11.433 2.414
115 2HG LYS 17 1HG LYS 17 -5.107 -11.197 1.463
116 1HD LYS 17 2HD LYS 17 -6.365 -12.540 2.814
117 2HD LYS 17 1HD LYS 17 -4.994 -13.558 3.260
118 1HE LYS 17 2HE LYS 17 -4.430 -12.256 5.013
119 2HE LYS 17 1HE LYS 17 -4.843 -10.764 4.170
120 1HZ LYS 17 1HZ LYS 17 -7.233 -11.442 4.516
121 2HZ LYS 17 2HZ LYS 17 -6.387 -10.972 5.903
122 3HZ LYS 17 3HZ LYS 17 -6.661 -12.613 5.597
123 H GLU 18 H GLU 18 -1.117 -12.892 0.422
124 HA GLU 18 HA GLU 18 -0.336 -10.414 1.469
125 1HB GLU 18 2HB GLU 18 0.823 -12.522 1.976
126 2HB GLU 18 1HB GLU 18 1.399 -12.607 0.316
127 1HG GLU 18 2HG GLU 18 2.053 -10.114 1.707
128 2HG GLU 18 1HG GLU 18 2.789 -11.561 2.395
129 H PHE 19 H PHE 19 0.098 -11.813 -1.754
130 HA PHE 19 HA PHE 19 1.719 -9.804 -2.839
131 1HB PHE 19 2HB PHE 19 1.317 -11.991 -3.922
132 2HB PHE 19 1HB PHE 19 -0.340 -11.503 -4.265
133 HD1 PHE 19 1HD PHE 19 3.190 -10.535 -4.901
134 HD2 PHE 19 2HD PHE 19 -0.846 -10.405 -6.242
135 HE1 PHE 19 1HE PHE 19 3.931 -9.530 -7.021
136 HE2 PHE 19 2HE PHE 19 -0.112 -9.400 -8.365
137 HZ PHE 19 HZ PHE 19 2.279 -8.961 -8.756
138 H HIS 20 H HIS 20 -1.812 -10.224 -3.173
139 HA HIS 20 HA HIS 20 -2.271 -7.761 -4.442
140 1HB HIS 20 2HB HIS 20 -4.082 -9.525 -2.789
141 2HB HIS 20 1HB HIS 20 -4.649 -8.084 -3.626
142 HD1 HIS 20 1HD HIS 20 -2.399 -9.126 -5.983
143 HD2 HIS 20 2HD HIS 20 -5.961 -10.796 -4.647
144 HE1 HIS 20 1HE HIS 20 -3.167 -10.642 -7.836
145 HE2 HIS 20 2HE HIS 20 -5.364 -11.583 -7.037
146 H LYS 21 H LYS 21 -1.980 -8.659 -1.079
147 HA LYS 21 HA LYS 21 -3.087 -6.406 0.139
148 1HB LYS 21 2HB LYS 21 -1.393 -8.626 0.921
149 2HB LYS 21 1HB LYS 21 -0.910 -7.147 1.736
150 1HG LYS 21 2HG LYS 21 -2.536 -8.462 3.024
151 2HG LYS 21 1HG LYS 21 -3.129 -6.850 2.621
152 1HD LYS 21 2HD LYS 21 -3.956 -8.427 0.493
153 2HD LYS 21 1HD LYS 21 -4.193 -9.455 1.907
154 1HE LYS 21 2HE LYS 21 -5.189 -7.119 2.825
155 2HE LYS 21 1HE LYS 21 -5.570 -6.975 1.109
156 1HZ LYS 21 1HZ LYS 21 -6.648 -8.794 3.103
157 2HZ LYS 21 2HZ LYS 21 -6.372 -9.461 1.572
158 3HZ LYS 21 3HZ LYS 21 -7.387 -8.118 1.738
159 H ILE 22 H ILE 22 0.426 -6.992 -0.081
160 HA ILE 22 HA ILE 22 1.203 -4.385 0.404
161 HB ILE 22 HB ILE 22 2.617 -6.540 0.275
162 1HG1 ILE 22 2HG1 ILE 22 4.665 -5.207 -0.077
163 2HG1 ILE 22 1HG1 ILE 22 3.683 -3.903 -0.742
164 1HG2 ILE 22 1HG2 ILE 22 3.782 -7.005 -1.730
165 2HG2 ILE 22 2HG2 ILE 22 3.156 -5.553 -2.513
166 3HG2 ILE 22 3HG2 ILE 22 2.073 -6.901 -2.160
167 1HD1 ILE 22 1HD1 ILE 22 4.410 -4.274 1.908
168 2HD1 ILE 22 2HD1 ILE 22 2.704 -4.721 1.838
169 3HD1 ILE 22 3HD1 ILE 22 3.223 -3.130 1.278
170 H PHE 23 H PHE 23 0.118 -5.859 -2.567
171 HA PHE 23 HA PHE 23 1.086 -3.982 -4.405
172 1HB PHE 23 2HB PHE 23 -0.799 -6.171 -4.405
173 2HB PHE 23 1HB PHE 23 -1.429 -4.825 -5.348
174 HD1 PHE 23 1HD PHE 23 1.974 -6.284 -4.872
175 HD2 PHE 23 2HD PHE 23 -1.105 -5.164 -7.586
176 HE1 PHE 23 1HE PHE 23 3.405 -6.944 -6.760
177 HE2 PHE 23 2HE PHE 23 0.320 -5.823 -9.480
178 HZ PHE 23 HZ PHE 23 2.579 -6.714 -9.069
179 H THR 24 H THR 24 -2.371 -4.203 -3.636
180 HA THR 24 HA THR 24 -2.953 -1.565 -4.297
181 HB THR 24 HB THR 24 -5.049 -1.936 -3.004
182 HG1 THR 24 1HG THR 24 -3.932 -4.470 -2.421
183 1HG2 THR 24 1HG2 THR 24 -5.945 -3.193 -4.611
184 2HG2 THR 24 2HG2 THR 24 -4.787 -4.502 -4.371
185 3HG2 THR 24 3HG2 THR 24 -4.341 -3.095 -5.336
186 H SER 25 H SER 25 -1.768 -2.967 -1.335
187 HA SER 25 HA SER 25 -2.376 -0.964 0.486
188 1HB SER 25 2HB SER 25 -0.096 -2.912 0.279
189 2HB SER 25 1HB SER 25 -0.128 -1.709 1.568
190 HG SER 25 HG SER 25 -2.020 -3.749 1.036
191 H SER 26 H SER 26 0.932 -1.345 -0.725
192 HA SER 26 HA SER 26 1.732 1.264 -0.237
193 1HB SER 26 2HB SER 26 3.589 0.028 -0.632
194 2HB SER 26 1HB SER 26 2.768 -1.019 -1.789
195 HG SER 26 HG SER 26 3.050 0.553 -3.364
196 H ILE 27 H ILE 27 0.254 -0.087 -3.158
197 HA ILE 27 HA ILE 27 0.687 2.153 -4.815
198 HB ILE 27 HB ILE 27 -1.459 0.035 -4.956
199 1HG1 ILE 27 2HG1 ILE 27 0.944 -0.695 -5.133
200 2HG1 ILE 27 1HG1 ILE 27 -0.036 -1.055 -6.551
201 1HG2 ILE 27 1HG2 ILE 27 -1.242 0.864 -7.489
202 2HG2 ILE 27 2HG2 ILE 27 -0.895 2.383 -6.663
203 3HG2 ILE 27 3HG2 ILE 27 -2.413 1.539 -6.356
204 1HD1 ILE 27 1HD1 ILE 27 1.972 1.159 -6.238
205 2HD1 ILE 27 2HD1 ILE 27 0.894 0.984 -7.624
206 3HD1 ILE 27 3HD1 ILE 27 2.090 -0.264 -7.275
207 H LEU 28 H LEU 28 -2.441 1.125 -3.436
208 HA LEU 28 HA LEU 28 -3.785 3.493 -3.967
209 1HB LEU 28 2HB LEU 28 -4.353 1.613 -1.685
210 2HB LEU 28 1HB LEU 28 -5.487 2.706 -2.456
211 HG LEU 28 HG LEU 28 -4.236 0.249 -3.678
212 1HD1 LEU 28 1HD1 LEU 28 -6.073 -0.146 -2.094
213 2HD1 LEU 28 2HD1 LEU 28 -6.496 -0.592 -3.748
214 3HD1 LEU 28 3HD1 LEU 28 -7.105 0.911 -3.056
215 1HD2 LEU 28 1HD2 LEU 28 -4.362 1.574 -5.533
216 2HD2 LEU 28 2HD2 LEU 28 -5.688 2.542 -4.887
217 3HD2 LEU 28 3HD2 LEU 28 -6.001 0.922 -5.508
218 H VAL 29 H VAL 29 -1.959 2.585 -1.068
219 HA VAL 29 HA VAL 29 -2.725 4.850 0.444
220 HB VAL 29 HB VAL 29 -0.965 4.280 1.969
221 1HG1 VAL 29 1HG1 VAL 29 -2.692 2.164 0.874
222 2HG1 VAL 29 2HG1 VAL 29 -2.578 2.806 2.513
223 3HG1 VAL 29 3HG1 VAL 29 -1.392 1.632 1.941
224 1HG2 VAL 29 1HG2 VAL 29 0.166 2.831 -0.362
225 2HG2 VAL 29 2HG2 VAL 29 0.474 2.193 1.251
226 3HG2 VAL 29 3HG2 VAL 29 0.971 3.834 0.842
227 H PHE 30 H PHE 30 -0.053 4.166 -1.750
228 HA PHE 30 HA PHE 30 1.475 6.471 -1.264
229 1HB PHE 30 2HB PHE 30 2.373 4.597 -2.534
230 2HB PHE 30 1HB PHE 30 1.166 4.833 -3.793
231 HD1 PHE 30 1HD PHE 30 1.328 6.728 -5.327
232 HD2 PHE 30 2HD PHE 30 4.318 5.983 -2.392
233 HE1 PHE 30 1HE PHE 30 2.865 8.237 -6.516
234 HE2 PHE 30 2HE PHE 30 5.860 7.492 -3.575
235 HZ PHE 30 HZ PHE 30 5.134 8.622 -5.640
236 H PHE 31 H PHE 31 -0.457 5.904 -4.193
237 HA PHE 31 HA PHE 31 -0.689 8.621 -4.866
238 1HB PHE 31 2HB PHE 31 -1.492 6.131 -5.961
239 2HB PHE 31 1HB PHE 31 -2.931 7.140 -5.871
240 HD1 PHE 31 1HD PHE 31 -3.301 8.841 -7.428
241 HD2 PHE 31 2HD PHE 31 0.549 7.051 -7.140
242 HE1 PHE 31 1HE PHE 31 -2.605 10.019 -9.473
243 HE2 PHE 31 2HE PHE 31 1.253 8.228 -9.183
244 HZ PHE 31 HZ PHE 31 -0.324 9.714 -10.352
245 H GLY 32 H GLY 32 -2.531 6.534 -2.776
246 1HA GLY 32 2HA GLY 32 -4.921 7.968 -2.572
247 2HA GLY 32 1HA GLY 32 -4.237 6.959 -1.304
248 H VAL 33 H VAL 33 -1.973 8.212 -0.588
249 HA VAL 33 HA VAL 33 -2.894 10.370 0.960
250 HB VAL 33 HB VAL 33 -0.595 8.639 0.724
251 1HG1 VAL 33 1HG1 VAL 33 0.777 10.352 0.035
252 2HG1 VAL 33 2HG1 VAL 33 0.988 10.317 1.783
253 3HG1 VAL 33 3HG1 VAL 33 -0.038 11.547 1.044
254 1HG2 VAL 33 1HG2 VAL 33 -1.469 10.372 3.004
255 2HG2 VAL 33 2HG2 VAL 33 -0.501 8.897 3.074
256 3HG2 VAL 33 3HG2 VAL 33 -2.197 8.820 2.590
257 H ALA 34 H ALA 34 -0.351 10.178 -1.515
258 HA ALA 34 HA ALA 34 0.234 12.809 -1.881
259 1HB ALA 34 1HB ALA 34 1.080 12.253 -3.999
260 2HB ALA 34 2HB ALA 34 -0.125 10.988 -4.244
261 3HB ALA 34 3HB ALA 34 1.178 10.751 -3.080
262 H ALA 35 H ALA 35 -2.558 11.051 -3.109
263 HA ALA 35 HA ALA 35 -3.587 13.099 -4.766
264 1HB ALA 35 1HB ALA 35 -4.841 10.691 -3.478
265 2HB ALA 35 2HB ALA 35 -4.384 10.923 -5.166
266 3HB ALA 35 3HB ALA 35 -5.757 11.804 -4.494
267 H PHE 36 H PHE 36 -5.243 11.921 -1.845
268 HA PHE 36 HA PHE 36 -6.699 14.266 -1.420
269 1HB PHE 36 2HB PHE 36 -6.109 11.820 0.125
270 2HB PHE 36 1HB PHE 36 -6.576 13.218 1.087
271 HD1 PHE 36 1HD PHE 36 -7.699 11.934 -2.232
272 HD2 PHE 36 2HD PHE 36 -8.761 13.000 1.749
273 HE1 PHE 36 1HE PHE 36 -10.064 11.492 -2.748
274 HE2 PHE 36 2HE PHE 36 -11.127 12.559 1.240
275 HZ PHE 36 HZ PHE 36 -11.782 11.803 -1.011
276 H ALA 37 H ALA 37 -3.716 13.165 0.106
277 HA ALA 37 HA ALA 37 -3.253 15.144 1.942
278 1HB ALA 37 1HB ALA 37 -0.970 14.505 1.911
279 2HB ALA 37 2HB ALA 37 -1.072 13.959 0.237
280 3HB ALA 37 3HB ALA 37 -1.892 13.055 1.511
281 H HIS 38 H HIS 38 -2.247 15.181 -1.493
282 HA HIS 38 HA HIS 38 -1.060 17.752 -1.349
283 1HB HIS 38 2HB HIS 38 -2.044 16.089 -3.666
284 2HB HIS 38 1HB HIS 38 -1.323 17.679 -3.890
285 HD1 HIS 38 1HD HIS 38 0.120 15.421 -5.188
286 HD2 HIS 38 2HD HIS 38 0.848 16.539 -1.253
287 HE1 HIS 38 1HE HIS 38 2.423 14.561 -4.660
288 HE2 HIS 38 2HE HIS 38 2.809 15.177 -2.247
289 H LEU 39 H LEU 39 -4.225 16.651 -2.539
290 HA LEU 39 HA LEU 39 -5.160 19.269 -3.148
291 1HB LEU 39 2HB LEU 39 -5.999 16.737 -3.728
292 2HB LEU 39 1HB LEU 39 -7.182 17.225 -2.530
293 HG LEU 39 HG LEU 39 -7.601 19.285 -3.933
294 1HD1 LEU 39 1HD1 LEU 39 -5.354 18.812 -5.192
295 2HD1 LEU 39 2HD1 LEU 39 -6.723 19.535 -6.035
296 3HD1 LEU 39 3HD1 LEU 39 -6.383 17.813 -6.218
297 1HD2 LEU 39 1HD2 LEU 39 -9.276 17.690 -4.063
298 2HD2 LEU 39 2HD2 LEU 39 -8.223 16.496 -4.823
299 3HD2 LEU 39 3HD2 LEU 39 -8.800 17.882 -5.750
300 H LEU 40 H LEU 40 -4.702 17.666 -0.212
301 HA LEU 40 HA LEU 40 -6.847 19.078 1.166
302 1HB LEU 40 2HB LEU 40 -4.903 16.938 1.954
303 2HB LEU 40 1HB LEU 40 -5.777 17.840 3.177
304 HG LEU 40 HG LEU 40 -7.212 16.409 0.957
305 1HD1 LEU 40 1HD1 LEU 40 -5.735 14.830 2.195
306 2HD1 LEU 40 2HD1 LEU 40 -7.457 14.486 2.355
307 3HD1 LEU 40 3HD1 LEU 40 -6.588 15.270 3.674
308 1HD2 LEU 40 1HD2 LEU 40 -8.211 18.211 2.580
309 2HD2 LEU 40 2HD2 LEU 40 -8.246 16.862 3.714
310 3HD2 LEU 40 3HD2 LEU 40 -9.119 16.751 2.186
311 H VAL 41 H VAL 41 -3.458 19.355 0.570
312 HA VAL 41 HA VAL 41 -2.731 20.856 2.849
313 HB VAL 41 HB VAL 41 -1.125 19.762 1.276
314 1HG1 VAL 41 1HG1 VAL 41 -2.441 21.253 -0.660
315 2HG1 VAL 41 2HG1 VAL 41 -0.967 20.309 -0.873
316 3HG1 VAL 41 3HG1 VAL 41 -0.865 22.030 -0.501
317 1HG2 VAL 41 1HG2 VAL 41 0.022 21.092 2.720
318 2HG2 VAL 41 2HG2 VAL 41 -0.884 22.540 2.282
319 3HG2 VAL 41 3HG2 VAL 41 0.393 21.943 1.220
320 H TRP 42 H TRP 42 -4.388 21.691 -0.079
321 HA TRP 42 HA TRP 42 -5.369 23.602 -0.811
322 1HB TRP 42 2HB TRP 42 -5.726 23.554 1.943
323 2HB TRP 42 1HB TRP 42 -5.131 25.180 1.624
324 HD1 TRP 42 HD TRP 42 -6.905 26.887 0.904
325 HE1 TRP 42 1HE TRP 42 -9.334 26.768 0.062
326 HE3 TRP 42 3HE TRP 42 -7.355 21.815 0.435
327 HZ2 TRP 42 2HZ TRP 42 -11.195 24.787 -0.700
328 HZ3 TRP 42 3HZ TRP 42 -9.493 20.889 -0.356
329 HH2 TRP 42 HH TRP 42 -11.373 22.346 -0.911
330 H ILE 43 H ILE 43 -2.358 23.347 -0.722
331 HA ILE 43 HA ILE 43 -1.824 26.044 -1.605
332 HB ILE 43 HB ILE 43 0.203 26.300 -0.179
333 1HG1 ILE 43 2HG1 ILE 43 -0.868 24.478 1.875
334 2HG1 ILE 43 1HG1 ILE 43 -0.180 23.678 0.465
335 1HG2 ILE 43 1HG2 ILE 43 -2.220 26.117 1.572
336 2HG2 ILE 43 2HG2 ILE 43 -2.127 27.294 0.261
337 3HG2 ILE 43 3HG2 ILE 43 -0.941 27.331 1.565
338 1HD1 ILE 43 1HD1 ILE 43 1.133 25.257 2.581
339 2HD1 ILE 43 2HD1 ILE 43 1.776 25.418 0.946
340 3HD1 ILE 43 3HD1 ILE 43 1.693 23.830 1.710
341 H TRP 44 H TRP 44 -1.738 23.094 -2.450
342 HA TRP 44 HA TRP 44 -0.304 21.600 -3.481
343 1HB TRP 44 2HB TRP 44 -0.235 24.216 -4.931
344 2HB TRP 44 1HB TRP 44 0.735 22.873 -5.526
345 HD1 TRP 44 HD TRP 44 -0.828 20.491 -5.872
346 HE1 TRP 44 1HE TRP 44 -3.134 20.325 -7.002
347 HE3 TRP 44 3HE TRP 44 -2.284 25.375 -5.467
348 HZ2 TRP 44 2HZ TRP 44 -5.286 22.038 -7.638
349 HZ3 TRP 44 3HZ TRP 44 -4.481 26.028 -6.362
350 HH2 TRP 44 HH TRP 44 -5.949 24.393 -7.425
351 H ARG 45 H ARG 45 1.027 22.565 -1.178
352 HA ARG 45 HA ARG 45 3.761 22.159 -2.039
353 1HB ARG 45 2HB ARG 45 2.900 24.669 -0.604
354 2HB ARG 45 1HB ARG 45 4.570 24.131 -0.701
355 1HG ARG 45 2HG ARG 45 4.480 24.287 -3.138
356 2HG ARG 45 1HG ARG 45 2.804 24.833 -3.036
357 1HD ARG 45 2HD ARG 45 3.881 26.629 -1.413
358 2HD ARG 45 1HD ARG 45 5.321 26.263 -2.361
359 HE ARG 45 HE ARG 45 3.062 26.780 -4.019
360 1HH1 ARG 45 1HH1 ARG 45 5.535 28.328 -2.106
361 2HH1 ARG 45 2HH1 ARG 45 5.496 29.799 -3.019
362 1HH2 ARG 45 1HH2 ARG 45 3.009 28.713 -5.221
363 2HH2 ARG 45 2HH2 ARG 45 4.062 30.018 -4.788
364 HA PRO 46 HA PRO 46 2.639 20.605 2.272
365 1HB PRO 46 2HB PRO 46 1.852 18.093 1.818
366 2HB PRO 46 1HB PRO 46 0.728 19.447 1.653
367 1HG PRO 46 2HG PRO 46 2.178 17.920 -0.467
368 2HG PRO 46 1HG PRO 46 0.509 18.514 -0.458
369 1HD PRO 46 2HD PRO 46 2.624 19.775 -1.718
370 2HD PRO 46 1HD PRO 46 1.120 20.571 -1.219
371 H TRP 47 H TRP 47 4.009 18.657 -0.369
372 HA TRP 47 HA TRP 47 6.397 18.206 1.251
373 1HB TRP 47 2HB TRP 47 4.433 16.177 0.561
374 2HB TRP 47 1HB TRP 47 6.035 15.765 -0.044
375 HD1 TRP 47 HD TRP 47 7.883 15.113 1.724
376 HE1 TRP 47 1HE TRP 47 7.796 14.587 4.242
377 HE3 TRP 47 3HE TRP 47 3.191 16.860 2.757
378 HZ2 TRP 47 2HZ TRP 47 5.980 14.875 6.383
379 HZ3 TRP 47 3HZ TRP 47 2.353 16.698 5.065
380 HH2 TRP 47 HH TRP 47 3.721 15.725 6.839
381 H VAL 48 H VAL 48 5.366 16.680 -1.788
382 HA VAL 48 HA VAL 48 7.794 17.712 -3.024
383 HB VAL 48 HB VAL 48 7.283 15.290 -3.179
384 1HG1 VAL 48 1HG1 VAL 48 4.959 15.155 -3.447
385 2HG1 VAL 48 2HG1 VAL 48 5.623 14.664 -5.004
386 3HG1 VAL 48 3HG1 VAL 48 4.962 16.286 -4.802
387 1HG2 VAL 48 1HG2 VAL 48 8.638 16.722 -4.860
388 2HG2 VAL 48 2HG2 VAL 48 7.283 16.415 -5.948
389 3HG2 VAL 48 3HG2 VAL 48 8.207 15.066 -5.287
390 HA PRO 49 HA PRO 49 4.043 19.141 -5.990
391 1HB PRO 49 2HB PRO 49 2.611 20.412 -3.701
392 2HB PRO 49 1HB PRO 49 1.959 19.711 -5.187
393 1HG PRO 49 2HG PRO 49 1.785 18.390 -2.890
394 2HG PRO 49 1HG PRO 49 2.150 17.536 -4.402
395 1HD PRO 49 2HD PRO 49 3.970 18.282 -2.158
396 2HD PRO 49 1HD PRO 49 3.973 16.836 -3.181
397 H GLY 50 H GLY 50 5.259 20.689 -6.893
398 1HA GLY 50 2HA GLY 50 5.313 23.319 -5.732
399 2HA GLY 50 1HA GLY 50 6.887 22.539 -5.719
400 HA PRO 51 HA PRO 51 5.686 24.401 -9.994
401 1HB PRO 51 2HB PRO 51 6.732 26.898 -9.804
402 2HB PRO 51 1HB PRO 51 5.053 26.529 -9.397
403 1HG PRO 51 2HG PRO 51 7.412 26.861 -7.584
404 2HG PRO 51 1HG PRO 51 5.760 27.474 -7.393
405 1HD PRO 51 2HD PRO 51 6.652 25.266 -6.105
406 2HD PRO 51 1HD PRO 51 4.964 25.455 -6.620
407 H ASN 52 H ASN 52 8.527 25.026 -7.962
408 HA ASN 52 HA ASN 52 10.383 25.206 -10.094
409 1HB ASN 52 2HB ASN 52 10.573 25.876 -7.546
410 2HB ASN 52 1HB ASN 52 11.223 24.247 -7.388
411 1HD2 ASN 52 1HD2 ASN 52 13.002 23.698 -8.902
412 2HD2 ASN 52 2HD2 ASN 52 14.162 24.928 -9.256
413 H GLY 53 H GLY 53 9.629 23.347 -11.357
414 1HA GLY 53 2HA GLY 53 10.555 20.759 -10.296
415 2HA GLY 53 1HA GLY 53 9.412 20.965 -11.616
416 H TYR 54 H TYR 54 10.323 22.082 -13.588
417 HA TYR 54 HA TYR 54 11.783 22.103 -15.327
418 1HB TYR 54 2HB TYR 54 13.636 22.279 -12.981
419 2HB TYR 54 1HB TYR 54 14.305 22.057 -14.593
420 HD1 TYR 54 1HD TYR 54 14.717 23.919 -15.920
421 HD2 TYR 54 2HD TYR 54 11.958 24.251 -12.699
422 HE1 TYR 54 1HE TYR 54 14.545 26.338 -16.325
423 HE2 TYR 54 2HE TYR 54 11.778 26.673 -13.095
424 HH TYR 54 HH TYR 54 13.273 28.481 -14.154
425 H SER 55 H SER 55 13.784 20.105 -13.186
426 HA SER 55 HA SER 55 13.868 18.041 -15.226
427 1HB SER 55 2HB SER 55 15.341 18.415 -12.615
428 2HB SER 55 1HB SER 55 15.522 16.977 -13.619
429 HG SER 55 HG SER 55 16.006 19.641 -14.474
Start of MODEL 6
1 1H ALA 1 1H ALA 1 8.904 -35.217 -1.293
2 HA ALA 1 HA ALA 1 8.325 -37.922 -0.660
3 1HB ALA 1 1HB ALA 1 7.241 -35.921 1.301
4 2HB ALA 1 2HB ALA 1 8.130 -37.409 1.627
5 3HB ALA 1 3HB ALA 1 6.474 -37.484 1.025
6 H GLU 2 H GLU 2 5.890 -38.374 -0.927
7 HA GLU 2 HA GLU 2 5.023 -36.903 -3.270
8 1HB GLU 2 2HB GLU 2 4.310 -39.491 -1.984
9 2HB GLU 2 1HB GLU 2 3.085 -38.714 -2.976
10 1HG GLU 2 2HG GLU 2 5.283 -38.553 -4.577
11 2HG GLU 2 1HG GLU 2 5.541 -40.090 -3.750
12 H VAL 3 H VAL 3 4.037 -37.380 0.063
13 HA VAL 3 HA VAL 3 1.621 -35.790 -0.344
14 HB VAL 3 HB VAL 3 2.608 -37.054 2.216
15 1HG1 VAL 3 1HG1 VAL 3 -0.205 -36.271 1.513
16 2HG1 VAL 3 2HG1 VAL 3 0.917 -35.149 2.283
17 3HG1 VAL 3 3HG1 VAL 3 0.471 -36.648 3.098
18 1HG2 VAL 3 1HG2 VAL 3 2.281 -38.890 0.824
19 2HG2 VAL 3 2HG2 VAL 3 0.922 -38.139 -0.011
20 3HG2 VAL 3 3HG2 VAL 3 0.727 -38.721 1.642
21 H LYS 4 H LYS 4 4.102 -35.797 2.213
22 HA LYS 4 HA LYS 4 4.696 -34.038 3.611
23 1HB LYS 4 2HB LYS 4 6.110 -34.231 1.272
24 2HB LYS 4 1HB LYS 4 5.686 -32.525 1.300
25 1HG LYS 4 2HG LYS 4 6.827 -33.770 3.752
26 2HG LYS 4 1HG LYS 4 7.895 -33.380 2.403
27 1HD LYS 4 2HD LYS 4 8.004 -31.333 3.305
28 2HD LYS 4 1HD LYS 4 6.384 -31.102 2.647
29 1HE LYS 4 2HE LYS 4 6.472 -32.479 5.237
30 2HE LYS 4 1HE LYS 4 7.055 -30.815 5.269
31 1HZ LYS 4 1HZ LYS 4 4.373 -31.825 4.866
32 2HZ LYS 4 2HZ LYS 4 4.816 -30.565 3.828
33 3HZ LYS 4 3HZ LYS 4 4.890 -30.345 5.504
34 H GLN 5 H GLN 5 2.016 -33.674 3.053
35 HA GLN 5 HA GLN 5 0.522 -32.012 3.613
36 1HB GLN 5 2HB GLN 5 1.177 -29.912 4.124
37 2HB GLN 5 1HB GLN 5 2.792 -30.592 4.001
38 1HG GLN 5 2HG GLN 5 2.745 -29.853 1.565
39 2HG GLN 5 1HG GLN 5 1.314 -28.919 1.997
40 1HE2 GLN 5 1HE2 GLN 5 1.783 -26.875 2.306
41 2HE2 GLN 5 2HE2 GLN 5 3.210 -26.253 3.056
42 H GLU 6 H GLU 6 -1.165 -31.859 2.320
43 HA GLU 6 HA GLU 6 -0.745 -31.014 -0.465
44 1HB GLU 6 2HB GLU 6 -0.977 -33.485 -0.348
45 2HB GLU 6 1HB GLU 6 -2.555 -33.277 0.399
46 1HG GLU 6 2HG GLU 6 -3.125 -31.906 -1.706
47 2HG GLU 6 1HG GLU 6 -1.706 -32.687 -2.406
48 H SER 7 H SER 7 -3.507 -31.971 1.580
49 HA SER 7 HA SER 7 -5.217 -29.987 0.501
50 1HB SER 7 2HB SER 7 -5.926 -32.165 1.587
51 2HB SER 7 1HB SER 7 -5.591 -31.405 3.142
52 HG SER 7 HG SER 7 -7.561 -30.700 2.964
53 H LEU 8 H LEU 8 -3.383 -28.307 0.936
54 HA LEU 8 HA LEU 8 -4.339 -26.447 2.769
55 1HB LEU 8 2HB LEU 8 -2.328 -26.420 4.276
56 2HB LEU 8 1HB LEU 8 -3.493 -27.705 4.532
57 HG LEU 8 HG LEU 8 -1.214 -28.342 2.756
58 1HD1 LEU 8 1HD1 LEU 8 0.331 -27.607 4.190
59 2HD1 LEU 8 2HD1 LEU 8 -0.173 -28.947 5.219
60 3HD1 LEU 8 3HD1 LEU 8 -0.852 -27.339 5.469
61 1HD2 LEU 8 1HD2 LEU 8 -3.051 -29.695 4.632
62 2HD2 LEU 8 2HD2 LEU 8 -1.419 -30.354 4.514
63 3HD2 LEU 8 3HD2 LEU 8 -2.423 -30.226 3.072
64 H SER 9 H SER 9 -1.787 -27.595 0.688
65 HA SER 9 HA SER 9 -0.116 -25.374 0.627
66 1HB SER 9 2HB SER 9 0.572 -26.128 -1.592
67 2HB SER 9 1HB SER 9 0.362 -27.522 -0.532
68 HG SER 9 HG SER 9 -1.501 -26.571 -2.451
69 H GLY 10 H GLY 10 -3.279 -25.891 -0.714
70 1HA GLY 10 2HA GLY 10 -3.226 -23.564 -2.416
71 2HA GLY 10 1HA GLY 10 -4.628 -24.561 -2.046
72 H ILE 11 H ILE 11 -4.019 -24.263 0.902
73 HA ILE 11 HA ILE 11 -5.632 -21.924 1.308
74 HB ILE 11 HB ILE 11 -4.195 -23.543 3.410
75 1HG1 ILE 11 2HG1 ILE 11 -6.980 -23.948 2.294
76 2HG1 ILE 11 1HG1 ILE 11 -5.595 -24.981 1.954
77 1HG2 ILE 11 1HG2 ILE 11 -6.679 -21.844 3.579
78 2HG2 ILE 11 2HG2 ILE 11 -5.075 -21.362 4.130
79 3HG2 ILE 11 3HG2 ILE 11 -5.905 -22.708 4.908
80 1HD1 ILE 11 1HD1 ILE 11 -5.458 -25.410 4.430
81 2HD1 ILE 11 2HD1 ILE 11 -6.869 -26.074 3.605
82 3HD1 ILE 11 3HD1 ILE 11 -7.020 -24.603 4.566
83 H THR 12 H THR 12 -2.379 -22.842 2.446
84 HA THR 12 HA THR 12 -1.710 -20.270 3.393
85 HB THR 12 HB THR 12 0.716 -21.324 2.979
86 HG1 THR 12 1HG THR 12 0.599 -23.276 2.268
87 1HG2 THR 12 1HG2 THR 12 -0.335 -20.885 5.182
88 2HG2 THR 12 2HG2 THR 12 0.647 -22.348 5.128
89 3HG2 THR 12 3HG2 THR 12 -1.112 -22.465 5.073
90 H GLU 13 H GLU 13 -0.650 -21.982 0.445
91 HA GLU 13 HA GLU 13 0.724 -19.780 -0.653
92 1HB GLU 13 2HB GLU 13 0.831 -22.297 -1.274
93 2HB GLU 13 1HB GLU 13 -0.517 -21.930 -2.341
94 1HG GLU 13 2HG GLU 13 1.015 -20.040 -3.224
95 2HG GLU 13 1HG GLU 13 2.308 -20.972 -2.469
96 H GLY 14 H GLY 14 -2.632 -20.723 -0.718
97 1HA GLY 14 2HA GLY 14 -3.399 -19.098 -2.932
98 2HA GLY 14 1HA GLY 14 -4.479 -19.786 -1.730
99 H GLU 15 H GLU 15 -4.075 -18.671 0.541
100 HA GLU 15 HA GLU 15 -4.987 -16.021 0.280
101 1HB GLU 15 2HB GLU 15 -5.523 -17.418 2.222
102 2HB GLU 15 1HB GLU 15 -3.832 -17.422 2.700
103 1HG GLU 15 2HG GLU 15 -3.908 -15.035 3.095
104 2HG GLU 15 1HG GLU 15 -5.580 -14.977 2.538
105 H ALA 16 H ALA 16 -1.825 -17.373 1.105
106 HA ALA 16 HA ALA 16 -0.503 -14.979 1.702
107 1HB ALA 16 1HB ALA 16 1.568 -16.229 1.201
108 2HB ALA 16 2HB ALA 16 0.590 -17.533 0.528
109 3HB ALA 16 3HB ALA 16 0.463 -17.130 2.240
110 H LYS 17 H LYS 17 -1.152 -16.582 -1.356
111 HA LYS 17 HA LYS 17 0.517 -14.916 -2.945
112 1HB LYS 17 2HB LYS 17 -0.179 -17.131 -3.700
113 2HB LYS 17 1HB LYS 17 -1.860 -16.619 -3.711
114 1HG LYS 17 2HG LYS 17 -1.165 -16.558 -5.948
115 2HG LYS 17 1HG LYS 17 -1.173 -14.876 -5.416
116 1HD LYS 17 2HD LYS 17 0.849 -15.033 -6.535
117 2HD LYS 17 1HD LYS 17 1.324 -15.305 -4.858
118 1HE LYS 17 2HE LYS 17 0.914 -17.818 -5.474
119 2HE LYS 17 1HE LYS 17 1.145 -17.239 -7.123
120 1HZ LYS 17 1HZ LYS 17 3.082 -16.758 -4.928
121 2HZ LYS 17 2HZ LYS 17 3.307 -16.460 -6.577
122 3HZ LYS 17 3HZ LYS 17 3.198 -18.051 -6.013
123 H GLU 18 H GLU 18 -3.046 -15.106 -2.892
124 HA GLU 18 HA GLU 18 -3.536 -12.760 -4.281
125 1HB GLU 18 2HB GLU 18 -5.248 -14.462 -3.795
126 2HB GLU 18 1HB GLU 18 -5.231 -13.991 -2.102
127 1HG GLU 18 2HG GLU 18 -6.064 -11.793 -2.670
128 2HG GLU 18 1HG GLU 18 -6.004 -12.191 -4.386
129 H PHE 19 H PHE 19 -3.401 -13.223 -0.760
130 HA PHE 19 HA PHE 19 -3.923 -10.588 -0.017
131 1HB PHE 19 2HB PHE 19 -3.924 -12.553 1.519
132 2HB PHE 19 1HB PHE 19 -2.164 -12.555 1.456
133 HD1 PHE 19 1HD PHE 19 -5.008 -11.341 3.154
134 HD2 PHE 19 2HD PHE 19 -0.998 -10.340 2.141
135 HE1 PHE 19 1HE PHE 19 -4.947 -9.725 5.009
136 HE2 PHE 19 2HE PHE 19 -0.929 -8.723 3.994
137 HZ PHE 19 HZ PHE 19 -2.904 -8.414 5.431
138 H HIS 20 H HIS 20 -0.861 -12.171 -0.817
139 HA HIS 20 HA HIS 20 0.833 -10.064 -0.042
140 1HB HIS 20 2HB HIS 20 1.715 -12.285 -0.468
141 2HB HIS 20 1HB HIS 20 1.225 -12.192 -2.156
142 HD1 HIS 20 1HD HIS 20 3.762 -12.630 -2.749
143 HD2 HIS 20 2HD HIS 20 2.985 -9.037 -0.813
144 HE1 HIS 20 1HE HIS 20 5.827 -11.230 -3.075
145 HE2 HIS 20 2HE HIS 20 5.293 -9.024 -1.981
146 H LYS 21 H LYS 21 -0.283 -10.940 -3.318
147 HA LYS 21 HA LYS 21 0.758 -8.683 -4.603
148 1HB LYS 21 2HB LYS 21 -0.116 -10.824 -5.659
149 2HB LYS 21 1HB LYS 21 -1.729 -10.151 -5.466
150 1HG LYS 21 2HG LYS 21 0.274 -8.449 -6.819
151 2HG LYS 21 1HG LYS 21 -0.298 -9.872 -7.693
152 1HD LYS 21 2HD LYS 21 -2.637 -8.871 -6.767
153 2HD LYS 21 1HD LYS 21 -1.708 -7.386 -6.982
154 1HE LYS 21 2HE LYS 21 -2.215 -9.504 -9.069
155 2HE LYS 21 1HE LYS 21 -2.959 -7.907 -8.998
156 1HZ LYS 21 1HZ LYS 21 -0.033 -8.319 -9.235
157 2HZ LYS 21 2HZ LYS 21 -0.894 -6.879 -9.448
158 3HZ LYS 21 3HZ LYS 21 -1.051 -8.132 -10.573
159 H ILE 22 H ILE 22 -2.583 -9.294 -3.518
160 HA ILE 22 HA ILE 22 -3.652 -6.832 -4.232
161 HB ILE 22 HB ILE 22 -5.477 -7.322 -2.762
162 1HG1 ILE 22 2HG1 ILE 22 -5.170 -9.527 -1.339
163 2HG1 ILE 22 1HG1 ILE 22 -3.477 -9.048 -1.377
164 1HG2 ILE 22 1HG2 ILE 22 -4.318 -9.384 -4.467
165 2HG2 ILE 22 2HG2 ILE 22 -5.949 -8.714 -4.441
166 3HG2 ILE 22 3HG2 ILE 22 -5.501 -9.988 -3.307
167 1HD1 ILE 22 1HD1 ILE 22 -3.835 -7.632 0.277
168 2HD1 ILE 22 2HD1 ILE 22 -5.528 -8.125 0.324
169 3HD1 ILE 22 3HD1 ILE 22 -5.031 -6.774 -0.695
170 H PHE 23 H PHE 23 -2.025 -7.821 -1.255
171 HA PHE 23 HA PHE 23 -2.547 -5.487 0.228
172 1HB PHE 23 2HB PHE 23 -1.753 -7.531 1.296
173 2HB PHE 23 1HB PHE 23 -0.225 -7.417 0.429
174 HD1 PHE 23 1HD PHE 23 1.410 -5.694 1.023
175 HD2 PHE 23 2HD PHE 23 -2.196 -6.197 3.225
176 HE1 PHE 23 1HE PHE 23 2.354 -4.360 2.863
177 HE2 PHE 23 2HE PHE 23 -1.260 -4.864 5.069
178 HZ PHE 23 HZ PHE 23 1.017 -3.942 4.889
179 H THR 24 H THR 24 0.597 -6.424 -1.156
180 HA THR 24 HA THR 24 1.854 -3.997 -0.939
181 HB THR 24 HB THR 24 2.462 -6.466 -2.006
182 HG1 THR 24 1HG THR 24 3.879 -5.108 -0.897
183 1HG2 THR 24 1HG2 THR 24 3.510 -6.043 -4.167
184 2HG2 THR 24 2HG2 THR 24 2.775 -4.440 -4.209
185 3HG2 THR 24 3HG2 THR 24 1.756 -5.880 -4.245
186 H SER 25 H SER 25 -0.018 -5.173 -3.731
187 HA SER 25 HA SER 25 0.316 -3.023 -5.435
188 1HB SER 25 2HB SER 25 -0.815 -5.071 -6.127
189 2HB SER 25 1HB SER 25 -2.159 -4.720 -5.040
190 HG SER 25 HG SER 25 -2.971 -3.538 -6.560
191 H SER 26 H SER 26 -2.364 -3.497 -3.141
192 HA SER 26 HA SER 26 -3.591 -1.026 -3.515
193 1HB SER 26 2HB SER 26 -4.798 -2.731 -2.371
194 2HB SER 26 1HB SER 26 -3.544 -2.888 -1.140
195 HG SER 26 HG SER 26 -4.107 -0.868 -0.352
196 H ILE 27 H ILE 27 -1.011 -1.950 -1.267
197 HA ILE 27 HA ILE 27 -0.968 0.422 0.224
198 HB ILE 27 HB ILE 27 1.250 -1.537 -0.373
199 1HG1 ILE 27 2HG1 ILE 27 -0.534 -2.534 0.895
200 2HG1 ILE 27 1HG1 ILE 27 0.798 -2.218 2.000
201 1HG2 ILE 27 1HG2 ILE 27 1.257 0.989 1.178
202 2HG2 ILE 27 2HG2 ILE 27 2.561 0.196 0.292
203 3HG2 ILE 27 3HG2 ILE 27 2.088 -0.397 1.884
204 1HD1 ILE 27 1HD1 ILE 27 -0.448 -0.032 2.525
205 2HD1 ILE 27 2HD1 ILE 27 -1.069 -1.544 3.186
206 3HD1 ILE 27 3HD1 ILE 27 -1.831 -0.821 1.769
207 H LEU 28 H LEU 28 0.827 -0.479 -2.696
208 HA LEU 28 HA LEU 28 2.342 1.901 -2.830
209 1HB LEU 28 2HB LEU 28 1.590 0.171 -5.169
210 2HB LEU 28 1HB LEU 28 3.011 1.185 -4.993
211 HG LEU 28 HG LEU 28 2.723 -0.927 -2.956
212 1HD1 LEU 28 1HD1 LEU 28 1.939 -2.201 -4.818
213 2HD1 LEU 28 2HD1 LEU 28 3.615 -2.651 -4.509
214 3HD1 LEU 28 3HD1 LEU 28 3.223 -1.577 -5.852
215 1HD2 LEU 28 1HD2 LEU 28 5.186 -1.179 -3.853
216 2HD2 LEU 28 2HD2 LEU 28 4.730 0.142 -2.776
217 3HD2 LEU 28 3HD2 LEU 28 4.863 0.425 -4.511
218 H VAL 29 H VAL 29 -0.471 0.889 -4.751
219 HA VAL 29 HA VAL 29 -0.792 3.347 -6.039
220 HB VAL 29 HB VAL 29 -1.846 0.697 -6.103
221 1HG1 VAL 29 1HG1 VAL 29 -3.926 2.848 -6.105
222 2HG1 VAL 29 2HG1 VAL 29 -3.853 1.392 -5.109
223 3HG1 VAL 29 3HG1 VAL 29 -4.154 1.263 -6.841
224 1HG2 VAL 29 1HG2 VAL 29 -2.631 1.686 -8.398
225 2HG2 VAL 29 2HG2 VAL 29 -0.928 1.388 -8.044
226 3HG2 VAL 29 3HG2 VAL 29 -1.585 3.020 -7.910
227 H PHE 30 H PHE 30 -2.758 1.761 -3.502
228 HA PHE 30 HA PHE 30 -4.559 3.882 -3.149
229 1HB PHE 30 2HB PHE 30 -4.595 1.396 -2.311
230 2HB PHE 30 1HB PHE 30 -3.838 2.077 -0.874
231 HD1 PHE 30 1HD PHE 30 -5.046 4.063 0.240
232 HD2 PHE 30 2HD PHE 30 -6.900 1.422 -2.534
233 HE1 PHE 30 1HE PHE 30 -7.258 4.727 1.093
234 HE2 PHE 30 2HE PHE 30 -9.115 2.081 -1.688
235 HZ PHE 30 HZ PHE 30 -9.295 3.735 0.129
236 H PHE 31 H PHE 31 -1.472 3.216 -1.643
237 HA PHE 31 HA PHE 31 -1.737 5.547 0.093
238 1HB PHE 31 2HB PHE 31 -0.657 3.112 0.616
239 2HB PHE 31 1HB PHE 31 0.785 4.011 0.155
240 HD1 PHE 31 1HD PHE 31 1.933 5.085 1.822
241 HD2 PHE 31 2HD PHE 31 -2.249 4.444 2.286
242 HE1 PHE 31 1HE PHE 31 2.037 6.068 4.074
243 HE2 PHE 31 2HE PHE 31 -2.153 5.427 4.541
244 HZ PHE 31 HZ PHE 31 -0.008 6.241 5.437
245 H GLY 32 H GLY 32 -0.467 4.667 -2.913
246 1HA GLY 32 2HA GLY 32 1.676 6.609 -2.954
247 2HA GLY 32 1HA GLY 32 1.079 5.668 -4.325
248 H VAL 33 H VAL 33 -1.596 6.187 -3.997
249 HA VAL 33 HA VAL 33 -1.891 8.689 -5.326
250 HB VAL 33 HB VAL 33 -4.244 8.113 -5.363
251 1HG1 VAL 33 1HG1 VAL 33 -2.205 6.180 -6.217
252 2HG1 VAL 33 2HG1 VAL 33 -3.386 7.075 -7.174
253 3HG1 VAL 33 3HG1 VAL 33 -3.882 5.639 -6.278
254 1HG2 VAL 33 1HG2 VAL 33 -3.449 6.029 -3.411
255 2HG2 VAL 33 2HG2 VAL 33 -4.902 5.855 -4.391
256 3HG2 VAL 33 3HG2 VAL 33 -4.734 7.225 -3.292
257 H ALA 34 H ALA 34 -2.848 7.331 -2.196
258 HA ALA 34 HA ALA 34 -4.163 9.591 -1.183
259 1HB ALA 34 1HB ALA 34 -2.897 7.200 0.121
260 2HB ALA 34 2HB ALA 34 -4.611 7.559 -0.097
261 3HB ALA 34 3HB ALA 34 -3.655 8.484 1.062
262 H ALA 35 H ALA 35 -0.823 8.465 -1.002
263 HA ALA 35 HA ALA 35 0.161 10.407 0.774
264 1HB ALA 35 1HB ALA 35 1.556 8.881 -1.425
265 2HB ALA 35 2HB ALA 35 1.461 8.440 0.281
266 3HB ALA 35 3HB ALA 35 2.381 9.861 -0.213
267 H PHE 36 H PHE 36 0.331 10.280 -2.786
268 HA PHE 36 HA PHE 36 1.259 12.963 -3.031
269 1HB PHE 36 2HB PHE 36 0.132 10.955 -4.973
270 2HB PHE 36 1HB PHE 36 0.478 12.607 -5.473
271 HD1 PHE 36 1HD PHE 36 2.463 12.874 -6.571
272 HD2 PHE 36 2HD PHE 36 2.202 9.950 -3.491
273 HE1 PHE 36 1HE PHE 36 4.815 12.266 -6.955
274 HE2 PHE 36 2HE PHE 36 4.554 9.336 -3.869
275 HZ PHE 36 HZ PHE 36 5.864 10.494 -5.604
276 H ALA 37 H ALA 37 -1.839 11.435 -2.774
277 HA ALA 37 HA ALA 37 -3.529 13.359 -3.869
278 1HB ALA 37 1HB ALA 37 -5.140 12.430 -2.031
279 2HB ALA 37 2HB ALA 37 -3.833 11.285 -1.744
280 3HB ALA 37 3HB ALA 37 -4.588 11.376 -3.333
281 H HIS 38 H HIS 38 -2.685 12.954 -0.424
282 HA HIS 38 HA HIS 38 -3.810 15.453 0.334
283 1HB HIS 38 2HB HIS 38 -1.836 13.700 1.814
284 2HB HIS 38 1HB HIS 38 -2.756 15.027 2.517
285 HD1 HIS 38 1HD HIS 38 -3.062 11.483 1.414
286 HD2 HIS 38 2HD HIS 38 -5.480 14.476 2.982
287 HE1 HIS 38 1HE HIS 38 -5.178 10.330 2.133
288 HE2 HIS 38 2HE HIS 38 -6.654 12.172 3.016
289 H LEU 39 H LEU 39 -0.567 14.361 -0.492
290 HA LEU 39 HA LEU 39 0.797 16.702 0.318
291 1HB LEU 39 2HB LEU 39 1.411 14.339 -1.358
292 2HB LEU 39 1HB LEU 39 2.400 15.762 -1.623
293 HG LEU 39 HG LEU 39 2.988 15.770 0.784
294 1HD1 LEU 39 1HD1 LEU 39 1.866 13.016 1.025
295 2HD1 LEU 39 2HD1 LEU 39 0.826 14.411 1.314
296 3HD1 LEU 39 3HD1 LEU 39 2.280 14.180 2.286
297 1HD2 LEU 39 1HD2 LEU 39 4.462 14.703 -0.828
298 2HD2 LEU 39 2HD2 LEU 39 3.559 13.196 -0.681
299 3HD2 LEU 39 3HD2 LEU 39 4.469 13.816 0.696
300 H LEU 40 H LEU 40 -1.302 16.108 -2.291
301 HA LEU 40 HA LEU 40 -0.181 18.276 -3.903
302 1HB LEU 40 2HB LEU 40 -2.003 15.998 -4.406
303 2HB LEU 40 1HB LEU 40 -2.334 17.463 -5.308
304 HG LEU 40 HG LEU 40 -0.136 17.417 -6.308
305 1HD1 LEU 40 1HD1 LEU 40 0.748 16.176 -4.105
306 2HD1 LEU 40 2HD1 LEU 40 1.608 16.142 -5.643
307 3HD1 LEU 40 3HD1 LEU 40 0.583 14.786 -5.177
308 1HD2 LEU 40 1HD2 LEU 40 -1.182 14.608 -6.473
309 2HD2 LEU 40 2HD2 LEU 40 -0.419 15.576 -7.733
310 3HD2 LEU 40 3HD2 LEU 40 -2.045 15.973 -7.179
311 H VAL 41 H VAL 41 -3.294 17.304 -2.472
312 HA VAL 41 HA VAL 41 -4.579 19.774 -3.027
313 HB VAL 41 HB VAL 41 -6.288 18.969 -1.360
314 1HG1 VAL 41 1HG1 VAL 41 -7.213 17.373 -2.840
315 2HG1 VAL 41 2HG1 VAL 41 -5.623 16.903 -3.442
316 3HG1 VAL 41 3HG1 VAL 41 -6.283 18.490 -3.840
317 1HG2 VAL 41 1HG2 VAL 41 -5.869 17.277 0.023
318 2HG2 VAL 41 2HG2 VAL 41 -4.194 17.318 -0.526
319 3HG2 VAL 41 3HG2 VAL 41 -5.352 16.242 -1.308
320 H TRP 42 H TRP 42 -2.673 18.581 -0.346
321 HA TRP 42 HA TRP 42 -3.426 20.333 1.665
322 1HB TRP 42 2HB TRP 42 -1.898 18.469 2.058
323 2HB TRP 42 1HB TRP 42 -0.661 19.251 1.079
324 HD1 TRP 42 HD TRP 42 -2.676 21.318 3.576
325 HE1 TRP 42 1HE TRP 42 -1.113 22.081 5.473
326 HE3 TRP 42 3HE TRP 42 1.478 18.596 2.354
327 HZ2 TRP 42 2HZ TRP 42 1.528 21.595 6.338
328 HZ3 TRP 42 3HZ TRP 42 3.480 18.804 3.769
329 HH2 TRP 42 HH TRP 42 3.503 20.273 5.719
330 H ILE 43 H ILE 43 -1.565 20.934 -1.205
331 HA ILE 43 HA ILE 43 -0.205 23.255 -0.460
332 HB ILE 43 HB ILE 43 0.132 22.011 -2.603
333 1HG1 ILE 43 2HG1 ILE 43 0.635 24.006 -3.937
334 2HG1 ILE 43 1HG1 ILE 43 -0.405 24.975 -2.898
335 1HG2 ILE 43 1HG2 ILE 43 -1.969 23.577 -3.954
336 2HG2 ILE 43 2HG2 ILE 43 -2.523 22.223 -2.968
337 3HG2 ILE 43 3HG2 ILE 43 -1.376 21.949 -4.281
338 1HD1 ILE 43 1HD1 ILE 43 2.312 24.594 -2.621
339 2HD1 ILE 43 2HD1 ILE 43 1.607 23.554 -1.384
340 3HD1 ILE 43 3HD1 ILE 43 1.218 25.274 -1.418
341 H TRP 44 H TRP 44 -3.546 22.729 -1.330
342 HA TRP 44 HA TRP 44 -4.361 25.204 -0.214
343 1HB TRP 44 2HB TRP 44 -3.936 25.070 -3.149
344 2HB TRP 44 1HB TRP 44 -5.417 25.850 -2.600
345 HD1 TRP 44 HD TRP 44 -2.212 26.876 -3.671
346 HE1 TRP 44 1HE TRP 44 -1.428 29.063 -2.563
347 HE3 TRP 44 3HE TRP 44 -5.483 27.015 0.256
348 HZ2 TRP 44 2HZ TRP 44 -2.105 30.637 -0.320
349 HZ3 TRP 44 3HZ TRP 44 -5.348 28.895 1.837
350 HH2 TRP 44 HH TRP 44 -3.693 30.668 1.554
351 H ARG 45 H ARG 45 -5.207 22.663 -2.541
352 HA ARG 45 HA ARG 45 -7.987 22.797 -2.255
353 1HB ARG 45 2HB ARG 45 -6.065 21.024 -3.471
354 2HB ARG 45 1HB ARG 45 -7.334 20.091 -2.688
355 1HG ARG 45 2HG ARG 45 -8.961 20.859 -4.094
356 2HG ARG 45 1HG ARG 45 -8.121 22.378 -4.415
357 1HD ARG 45 2HD ARG 45 -6.370 20.591 -5.456
358 2HD ARG 45 1HD ARG 45 -7.900 19.767 -5.753
359 HE ARG 45 HE ARG 45 -8.389 21.334 -7.345
360 1HH1 ARG 45 1HH1 ARG 45 -5.791 22.537 -5.349
361 2HH1 ARG 45 2HH1 ARG 45 -5.498 23.921 -6.349
362 1HH2 ARG 45 1HH2 ARG 45 -8.004 23.153 -8.661
363 2HH2 ARG 45 2HH2 ARG 45 -6.752 24.270 -8.229
364 HA PRO 46 HA PRO 46 -9.232 20.819 1.477
365 1HB PRO 46 2HB PRO 46 -10.203 18.395 0.061
366 2HB PRO 46 1HB PRO 46 -11.075 19.502 1.127
367 1HG PRO 46 2HG PRO 46 -11.480 19.545 -1.507
368 2HG PRO 46 1HG PRO 46 -11.449 21.046 -0.563
369 1HD PRO 46 2HD PRO 46 -9.344 19.876 -2.337
370 2HD PRO 46 1HD PRO 46 -9.828 21.572 -2.127
371 H TRP 47 H TRP 47 -9.450 18.112 2.193
372 HA TRP 47 HA TRP 47 -6.857 16.884 1.720
373 1HB TRP 47 2HB TRP 47 -6.332 16.713 4.118
374 2HB TRP 47 1HB TRP 47 -6.406 18.392 3.593
375 HD1 TRP 47 HD TRP 47 -9.176 19.369 3.971
376 HE1 TRP 47 1HE TRP 47 -10.454 19.269 6.202
377 HE3 TRP 47 3HE TRP 47 -6.513 15.658 6.269
378 HZ2 TRP 47 2HZ TRP 47 -10.348 17.811 8.617
379 HZ3 TRP 47 3HZ TRP 47 -7.166 14.970 8.539
380 HH2 TRP 47 HH TRP 47 -9.044 16.025 9.687
381 H VAL 48 H VAL 48 -9.426 16.059 0.965
382 HA VAL 48 HA VAL 48 -9.954 13.807 2.786
383 HB VAL 48 HB VAL 48 -11.888 15.271 2.442
384 1HG1 VAL 48 1HG1 VAL 48 -12.943 15.486 0.265
385 2HG1 VAL 48 2HG1 VAL 48 -11.666 14.516 -0.470
386 3HG1 VAL 48 3HG1 VAL 48 -11.290 16.098 0.211
387 1HG2 VAL 48 1HG2 VAL 48 -12.443 13.020 2.893
388 2HG2 VAL 48 2HG2 VAL 48 -12.047 12.513 1.251
389 3HG2 VAL 48 3HG2 VAL 48 -13.472 13.509 1.547
390 HA PRO 49 HA PRO 49 -8.319 11.147 -0.380
391 1HB PRO 49 2HB PRO 49 -9.245 8.779 0.545
392 2HB PRO 49 1HB PRO 49 -7.911 9.644 1.316
393 1HG PRO 49 2HG PRO 49 -10.802 9.545 2.088
394 2HG PRO 49 1HG PRO 49 -9.364 9.441 3.121
395 1HD PRO 49 2HD PRO 49 -10.802 11.724 2.830
396 2HD PRO 49 1HD PRO 49 -9.054 11.722 3.133
397 H GLY 50 H GLY 50 -9.414 11.662 -2.253
398 1HA GLY 50 2HA GLY 50 -11.315 9.810 -3.215
399 2HA GLY 50 1HA GLY 50 -12.137 11.292 -2.751
400 HA PRO 51 HA PRO 51 -10.724 11.428 -7.281
401 1HB PRO 51 2HB PRO 51 -13.357 12.828 -7.318
402 2HB PRO 51 1HB PRO 51 -12.665 11.699 -8.489
403 1HG PRO 51 2HG PRO 51 -14.576 10.910 -6.813
404 2HG PRO 51 1HG PRO 51 -13.226 9.836 -7.224
405 1HD PRO 51 2HD PRO 51 -13.718 11.394 -4.728
406 2HD PRO 51 1HD PRO 51 -12.969 9.798 -4.936
407 H ASN 52 H ASN 52 -12.251 13.799 -5.138
408 HA ASN 52 HA ASN 52 -10.172 15.675 -5.392
409 1HB ASN 52 2HB ASN 52 -11.460 15.778 -7.676
410 2HB ASN 52 1HB ASN 52 -12.637 16.706 -6.749
411 1HD2 ASN 52 1HD2 ASN 52 -12.210 18.547 -7.977
412 2HD2 ASN 52 2HD2 ASN 52 -10.769 19.475 -7.756
413 H GLY 53 H GLY 53 -13.729 15.647 -5.078
414 1HA GLY 53 2HA GLY 53 -14.414 15.789 -2.625
415 2HA GLY 53 1HA GLY 53 -13.421 17.238 -2.613
416 H TYR 54 H TYR 54 -14.342 19.124 -3.120
417 HA TYR 54 HA TYR 54 -16.048 20.609 -3.441
418 1HB TYR 54 2HB TYR 54 -16.962 20.598 -5.708
419 2HB TYR 54 1HB TYR 54 -15.236 20.258 -5.732
420 HD1 TYR 54 1HD TYR 54 -18.582 18.888 -6.309
421 HD2 TYR 54 2HD TYR 54 -14.408 18.063 -6.370
422 HE1 TYR 54 1HE TYR 54 -19.010 16.849 -7.613
423 HE2 TYR 54 2HE TYR 54 -14.825 16.022 -7.676
424 HH TYR 54 HH TYR 54 -16.809 14.412 -7.994
425 H SER 55 H SER 55 -16.777 18.242 -1.901
426 HA SER 55 HA SER 55 -19.653 18.547 -2.087
427 1HB SER 55 2HB SER 55 -18.232 16.013 -2.759
428 2HB SER 55 1HB SER 55 -19.730 15.896 -1.837
429 HG SER 55 HG SER 55 -20.482 15.928 -3.841
Start of MODEL 7
1 1H ALA 1 1H ALA 1 -2.071 -38.193 7.557
2 HA ALA 1 HA ALA 1 -3.153 -38.021 4.939
3 1HB ALA 1 1HB ALA 1 -1.556 -39.959 4.607
4 2HB ALA 1 2HB ALA 1 -3.236 -40.241 4.153
5 3HB ALA 1 3HB ALA 1 -2.613 -40.886 5.671
6 H GLU 2 H GLU 2 -4.596 -37.029 6.540
7 HA GLU 2 HA GLU 2 -6.523 -39.003 7.546
8 1HB GLU 2 2HB GLU 2 -5.126 -36.862 9.057
9 2HB GLU 2 1HB GLU 2 -6.835 -37.092 9.403
10 1HG GLU 2 2HG GLU 2 -5.250 -39.558 9.334
11 2HG GLU 2 1HG GLU 2 -4.818 -38.427 10.615
12 H VAL 3 H VAL 3 -6.194 -35.453 7.392
13 HA VAL 3 HA VAL 3 -8.350 -35.238 5.497
14 HB VAL 3 HB VAL 3 -9.685 -33.704 7.023
15 1HG1 VAL 3 1HG1 VAL 3 -9.781 -36.491 8.079
16 2HG1 VAL 3 2HG1 VAL 3 -10.112 -36.203 6.371
17 3HG1 VAL 3 3HG1 VAL 3 -11.099 -35.419 7.606
18 1HG2 VAL 3 1HG2 VAL 3 -8.124 -33.356 8.798
19 2HG2 VAL 3 2HG2 VAL 3 -7.985 -35.090 9.089
20 3HG2 VAL 3 3HG2 VAL 3 -9.493 -34.252 9.456
21 H LYS 4 H LYS 4 -6.334 -33.537 7.872
22 HA LYS 4 HA LYS 4 -6.480 -31.007 6.627
23 1HB LYS 4 2HB LYS 4 -5.544 -31.871 9.005
24 2HB LYS 4 1HB LYS 4 -4.026 -31.691 8.138
25 1HG LYS 4 2HG LYS 4 -4.150 -29.442 8.113
26 2HG LYS 4 1HG LYS 4 -5.905 -29.433 7.917
27 1HD LYS 4 2HD LYS 4 -4.761 -30.363 10.505
28 2HD LYS 4 1HD LYS 4 -4.771 -28.633 10.160
29 1HE LYS 4 2HE LYS 4 -7.281 -30.119 9.651
30 2HE LYS 4 1HE LYS 4 -6.814 -29.898 11.338
31 1HZ LYS 4 1HZ LYS 4 -6.472 -27.445 10.538
32 2HZ LYS 4 2HZ LYS 4 -8.006 -28.006 10.975
33 3HZ LYS 4 3HZ LYS 4 -7.581 -27.895 9.341
34 H GLN 5 H GLN 5 -4.242 -29.947 6.020
35 HA GLN 5 HA GLN 5 -3.013 -29.652 4.077
36 1HB GLN 5 2HB GLN 5 -1.475 -30.395 5.869
37 2HB GLN 5 1HB GLN 5 -1.662 -32.052 5.313
38 1HG GLN 5 2HG GLN 5 -0.238 -31.773 3.614
39 2HG GLN 5 1HG GLN 5 -0.866 -30.173 3.220
40 1HE2 GLN 5 1HE2 GLN 5 -0.415 -28.686 5.356
41 2HE2 GLN 5 2HE2 GLN 5 1.268 -28.613 5.743
42 H GLU 6 H GLU 6 -5.300 -31.160 3.413
43 HA GLU 6 HA GLU 6 -4.214 -32.732 1.189
44 1HB GLU 6 2HB GLU 6 -6.195 -33.634 3.242
45 2HB GLU 6 1HB GLU 6 -6.329 -34.236 1.596
46 1HG GLU 6 2HG GLU 6 -3.834 -34.840 1.861
47 2HG GLU 6 1HG GLU 6 -4.143 -34.663 3.587
48 H SER 7 H SER 7 -5.667 -30.045 1.807
49 HA SER 7 HA SER 7 -6.999 -29.827 -0.655
50 1HB SER 7 2HB SER 7 -8.609 -31.179 1.019
51 2HB SER 7 1HB SER 7 -9.041 -29.534 1.484
52 HG SER 7 HG SER 7 -8.983 -30.387 -1.213
53 H LEU 8 H LEU 8 -6.763 -28.647 2.663
54 HA LEU 8 HA LEU 8 -7.538 -25.993 2.164
55 1HB LEU 8 2HB LEU 8 -6.085 -25.542 4.257
56 2HB LEU 8 1HB LEU 8 -7.550 -26.494 4.400
57 HG LEU 8 HG LEU 8 -5.103 -28.057 3.895
58 1HD1 LEU 8 1HD1 LEU 8 -4.514 -26.101 5.504
59 2HD1 LEU 8 2HD1 LEU 8 -4.045 -27.749 5.920
60 3HD1 LEU 8 3HD1 LEU 8 -5.463 -27.021 6.672
61 1HD2 LEU 8 1HD2 LEU 8 -6.234 -29.668 5.001
62 2HD2 LEU 8 2HD2 LEU 8 -7.623 -28.652 4.616
63 3HD2 LEU 8 3HD2 LEU 8 -6.867 -28.548 6.206
64 H SER 9 H SER 9 -4.740 -27.631 1.167
65 HA SER 9 HA SER 9 -2.781 -25.650 1.345
66 1HB SER 9 2HB SER 9 -1.907 -26.804 -0.823
67 2HB SER 9 1HB SER 9 -1.982 -27.743 0.668
68 HG SER 9 HG SER 9 -3.671 -28.851 -0.090
69 H GLY 10 H GLY 10 -5.600 -25.855 -0.625
70 1HA GLY 10 2HA GLY 10 -4.718 -24.044 -2.671
71 2HA GLY 10 1HA GLY 10 -6.365 -24.595 -2.400
72 H ILE 11 H ILE 11 -6.526 -23.771 0.353
73 HA ILE 11 HA ILE 11 -7.146 -20.997 -0.087
74 HB ILE 11 HB ILE 11 -7.895 -21.072 2.299
75 1HG1 ILE 11 2HG1 ILE 11 -7.415 -24.038 2.096
76 2HG1 ILE 11 1HG1 ILE 11 -6.301 -22.945 2.910
77 1HG2 ILE 11 1HG2 ILE 11 -8.983 -22.974 0.260
78 2HG2 ILE 11 2HG2 ILE 11 -9.580 -21.378 0.714
79 3HG2 ILE 11 3HG2 ILE 11 -9.775 -22.739 1.818
80 1HD1 ILE 11 1HD1 ILE 11 -9.057 -22.643 3.795
81 2HD1 ILE 11 2HD1 ILE 11 -7.575 -22.844 4.731
82 3HD1 ILE 11 3HD1 ILE 11 -8.399 -24.257 4.071
83 H THR 12 H THR 12 -4.720 -22.879 1.595
84 HA THR 12 HA THR 12 -3.590 -20.766 3.106
85 HB THR 12 HB THR 12 -1.905 -23.040 2.155
86 HG1 THR 12 1HG THR 12 -3.627 -24.245 2.588
87 1HG2 THR 12 1HG2 THR 12 -0.974 -21.525 3.803
88 2HG2 THR 12 2HG2 THR 12 -1.218 -23.131 4.490
89 3HG2 THR 12 3HG2 THR 12 -2.342 -21.828 4.872
90 H GLU 13 H GLU 13 -2.447 -22.347 0.117
91 HA GLU 13 HA GLU 13 -0.452 -20.379 -0.382
92 1HB GLU 13 2HB GLU 13 -0.823 -22.884 -1.278
93 2HB GLU 13 1HB GLU 13 -1.501 -21.999 -2.638
94 1HG GLU 13 2HG GLU 13 0.519 -20.992 -3.157
95 2HG GLU 13 1HG GLU 13 1.189 -21.282 -1.552
96 H GLY 14 H GLY 14 -3.797 -20.764 -1.292
97 1HA GLY 14 2HA GLY 14 -3.815 -18.854 -3.404
98 2HA GLY 14 1HA GLY 14 -5.223 -19.458 -2.542
99 H GLU 15 H GLU 15 -4.887 -18.654 -0.017
100 HA GLU 15 HA GLU 15 -5.552 -15.918 -0.101
101 1HB GLU 15 2HB GLU 15 -5.716 -16.021 2.279
102 2HB GLU 15 1HB GLU 15 -6.282 -17.566 1.661
103 1HG GLU 15 2HG GLU 15 -3.872 -18.368 2.083
104 2HG GLU 15 1HG GLU 15 -3.737 -16.931 3.095
105 H ALA 16 H ALA 16 -2.590 -17.652 0.639
106 HA ALA 16 HA ALA 16 -1.061 -15.522 1.632
107 1HB ALA 16 1HB ALA 16 -0.476 -17.980 1.660
108 2HB ALA 16 2HB ALA 16 0.842 -16.889 1.232
109 3HB ALA 16 3HB ALA 16 0.007 -17.800 -0.026
110 H LYS 17 H LYS 17 -1.472 -16.768 -1.657
111 HA LYS 17 HA LYS 17 0.240 -14.997 -2.983
112 1HB LYS 17 2HB LYS 17 -1.047 -17.123 -3.810
113 2HB LYS 17 1HB LYS 17 -2.302 -15.969 -4.242
114 1HG LYS 17 2HG LYS 17 -1.180 -15.980 -6.202
115 2HG LYS 17 1HG LYS 17 -0.222 -14.749 -5.377
116 1HD LYS 17 2HD LYS 17 1.515 -16.249 -4.913
117 2HD LYS 17 1HD LYS 17 0.498 -17.658 -5.217
118 1HE LYS 17 2HE LYS 17 2.071 -17.323 -7.042
119 2HE LYS 17 1HE LYS 17 0.413 -17.082 -7.593
120 1HZ LYS 17 1HZ LYS 17 0.708 -14.796 -7.726
121 2HZ LYS 17 2HZ LYS 17 2.175 -15.402 -8.311
122 3HZ LYS 17 3HZ LYS 17 2.079 -14.801 -6.733
123 H GLU 18 H GLU 18 -3.277 -14.820 -2.472
124 HA GLU 18 HA GLU 18 -3.728 -12.359 -3.695
125 1HB GLU 18 2HB GLU 18 -5.134 -13.979 -1.634
126 2HB GLU 18 1HB GLU 18 -5.613 -12.295 -1.799
127 1HG GLU 18 2HG GLU 18 -5.578 -13.124 -4.395
128 2HG GLU 18 1HG GLU 18 -6.112 -14.577 -3.551
129 H PHE 19 H PHE 19 -2.811 -13.117 -0.370
130 HA PHE 19 HA PHE 19 -2.968 -10.567 0.725
131 1HB PHE 19 2HB PHE 19 -1.686 -13.108 1.423
132 2HB PHE 19 1HB PHE 19 -0.832 -11.700 2.042
133 HD1 PHE 19 1HD PHE 19 -2.402 -9.898 3.180
134 HD2 PHE 19 2HD PHE 19 -3.349 -14.020 2.711
135 HE1 PHE 19 1HE PHE 19 -4.009 -9.735 5.035
136 HE2 PHE 19 2HE PHE 19 -4.959 -13.866 4.566
137 HZ PHE 19 HZ PHE 19 -5.290 -11.720 5.730
138 H HIS 20 H HIS 20 -0.359 -12.144 -1.057
139 HA HIS 20 HA HIS 20 1.578 -10.125 -0.686
140 1HB HIS 20 2HB HIS 20 1.224 -12.434 -2.522
141 2HB HIS 20 1HB HIS 20 2.343 -11.176 -3.038
142 HD1 HIS 20 1HD HIS 20 1.941 -13.942 -0.596
143 HD2 HIS 20 2HD HIS 20 4.653 -10.902 -1.416
144 HE1 HIS 20 1HE HIS 20 4.009 -14.514 0.715
145 HE2 HIS 20 2HE HIS 20 5.605 -12.616 0.270
146 H LYS 21 H LYS 21 -0.512 -10.811 -3.496
147 HA LYS 21 HA LYS 21 0.166 -8.557 -4.992
148 1HB LYS 21 2HB LYS 21 -2.395 -10.156 -4.905
149 2HB LYS 21 1HB LYS 21 -2.075 -8.903 -6.096
150 1HG LYS 21 2HG LYS 21 -0.257 -11.260 -5.713
151 2HG LYS 21 1HG LYS 21 -1.643 -11.293 -6.805
152 1HD LYS 21 2HD LYS 21 -0.728 -9.409 -8.048
153 2HD LYS 21 1HD LYS 21 0.638 -9.320 -6.933
154 1HE LYS 21 2HE LYS 21 0.182 -11.952 -8.172
155 2HE LYS 21 1HE LYS 21 0.666 -10.669 -9.280
156 1HZ LYS 21 1HZ LYS 21 2.469 -10.232 -7.490
157 2HZ LYS 21 2HZ LYS 21 2.678 -11.496 -8.594
158 3HZ LYS 21 3HZ LYS 21 2.149 -11.827 -7.022
159 H ILE 22 H ILE 22 -2.726 -9.010 -2.955
160 HA ILE 22 HA ILE 22 -3.767 -6.467 -3.132
161 HB ILE 22 HB ILE 22 -5.027 -6.928 -1.180
162 1HG1 ILE 22 2HG1 ILE 22 -3.009 -9.066 -0.496
163 2HG1 ILE 22 1HG1 ILE 22 -3.187 -7.523 0.328
164 1HG2 ILE 22 1HG2 ILE 22 -5.148 -9.667 -1.666
165 2HG2 ILE 22 2HG2 ILE 22 -4.652 -8.932 -3.190
166 3HG2 ILE 22 3HG2 ILE 22 -6.133 -8.401 -2.396
167 1HD1 ILE 22 1HD1 ILE 22 -4.220 -9.272 1.615
168 2HD1 ILE 22 2HD1 ILE 22 -5.215 -9.741 0.236
169 3HD1 ILE 22 3HD1 ILE 22 -5.457 -8.173 1.005
170 H PHE 23 H PHE 23 -1.175 -7.673 -1.099
171 HA PHE 23 HA PHE 23 -0.951 -5.475 0.640
172 1HB PHE 23 2HB PHE 23 0.176 -7.595 1.094
173 2HB PHE 23 1HB PHE 23 1.189 -7.384 -0.330
174 HD1 PHE 23 1HD PHE 23 0.349 -5.807 2.928
175 HD2 PHE 23 2HD PHE 23 3.243 -6.326 -0.149
176 HE1 PHE 23 1HE PHE 23 2.013 -4.622 4.299
177 HE2 PHE 23 2HE PHE 23 4.913 -5.143 1.217
178 HZ PHE 23 HZ PHE 23 4.299 -4.289 3.444
179 H THR 24 H THR 24 1.035 -6.254 -2.220
180 HA THR 24 HA THR 24 2.427 -3.864 -2.359
181 HB THR 24 HB THR 24 2.295 -6.203 -3.835
182 HG1 THR 24 1HG THR 24 4.156 -5.019 -3.403
183 1HG2 THR 24 1HG2 THR 24 2.242 -5.493 -6.180
184 2HG2 THR 24 2HG2 THR 24 1.635 -3.916 -5.674
185 3HG2 THR 24 3HG2 THR 24 0.668 -5.364 -5.398
186 H SER 25 H SER 25 -0.596 -4.759 -4.015
187 HA SER 25 HA SER 25 -1.053 -2.391 -5.382
188 1HB SER 25 2HB SER 25 -3.053 -4.296 -4.142
189 2HB SER 25 1HB SER 25 -3.470 -3.026 -5.293
190 HG SER 25 HG SER 25 -1.832 -4.105 -6.684
191 H SER 26 H SER 26 -1.995 -3.289 -2.085
192 HA SER 26 HA SER 26 -3.428 -0.990 -1.426
193 1HB SER 26 2HB SER 26 -3.314 -1.706 0.799
194 2HB SER 26 1HB SER 26 -3.106 -3.208 -0.103
195 HG SER 26 HG SER 26 -1.022 -3.272 0.443
196 H ILE 27 H ILE 27 0.030 -1.642 -1.361
197 HA ILE 27 HA ILE 27 0.823 0.691 0.016
198 HB ILE 27 HB ILE 27 2.387 -0.905 -2.020
199 1HG1 ILE 27 2HG1 ILE 27 2.703 -1.148 0.949
200 2HG1 ILE 27 1HG1 ILE 27 1.397 -2.013 0.146
201 1HG2 ILE 27 1HG2 ILE 27 4.364 0.015 -0.842
202 2HG2 ILE 27 2HG2 ILE 27 3.286 1.056 0.087
203 3HG2 ILE 27 3HG2 ILE 27 3.406 1.248 -1.662
204 1HD1 ILE 27 1HD1 ILE 27 4.142 -2.713 0.364
205 2HD1 ILE 27 2HD1 ILE 27 3.739 -2.499 -1.339
206 3HD1 ILE 27 3HD1 ILE 27 2.815 -3.629 -0.349
207 H LEU 28 H LEU 28 0.666 -0.043 -3.467
208 HA LEU 28 HA LEU 28 1.527 2.460 -4.397
209 1HB LEU 28 2HB LEU 28 -0.258 0.362 -5.613
210 2HB LEU 28 1HB LEU 28 0.203 1.813 -6.477
211 HG LEU 28 HG LEU 28 1.505 -0.513 -6.694
212 1HD1 LEU 28 1HD1 LEU 28 3.233 1.893 -6.748
213 2HD1 LEU 28 2HD1 LEU 28 1.783 1.899 -7.750
214 3HD1 LEU 28 3HD1 LEU 28 2.995 0.637 -7.963
215 1HD2 LEU 28 1HD2 LEU 28 3.650 -0.320 -5.454
216 2HD2 LEU 28 2HD2 LEU 28 2.261 -0.665 -4.425
217 3HD2 LEU 28 3HD2 LEU 28 2.927 0.965 -4.487
218 H VAL 29 H VAL 29 -1.739 1.182 -3.936
219 HA VAL 29 HA VAL 29 -3.125 3.494 -4.623
220 HB VAL 29 HB VAL 29 -3.637 0.826 -3.808
221 1HG1 VAL 29 1HG1 VAL 29 -5.258 2.818 -2.257
222 2HG1 VAL 29 2HG1 VAL 29 -4.110 1.653 -1.595
223 3HG1 VAL 29 3HG1 VAL 29 -5.582 1.088 -2.385
224 1HG2 VAL 29 1HG2 VAL 29 -5.961 1.499 -4.666
225 2HG2 VAL 29 2HG2 VAL 29 -4.581 1.548 -5.764
226 3HG2 VAL 29 3HG2 VAL 29 -5.190 3.039 -5.046
227 H PHE 30 H PHE 30 -1.639 2.375 -1.654
228 HA PHE 30 HA PHE 30 -2.963 4.063 0.170
229 1HB PHE 30 2HB PHE 30 -0.538 2.404 0.162
230 2HB PHE 30 1HB PHE 30 -0.415 3.821 1.199
231 HD1 PHE 30 1HD PHE 30 -3.486 1.877 0.494
232 HD2 PHE 30 2HD PHE 30 -0.437 2.811 3.312
233 HE1 PHE 30 1HE PHE 30 -4.753 0.704 2.246
234 HE2 PHE 30 2HE PHE 30 -1.698 1.639 5.070
235 HZ PHE 30 HZ PHE 30 -3.859 0.583 4.538
236 H PHE 31 H PHE 31 0.404 4.454 -0.901
237 HA PHE 31 HA PHE 31 0.526 7.205 -0.328
238 1HB PHE 31 2HB PHE 31 2.204 5.249 -1.802
239 2HB PHE 31 1HB PHE 31 2.453 6.948 -2.190
240 HD1 PHE 31 1HD PHE 31 3.917 8.189 -0.915
241 HD2 PHE 31 2HD PHE 31 2.211 4.659 0.738
242 HE1 PHE 31 1HE PHE 31 5.346 8.435 1.073
243 HE2 PHE 31 2HE PHE 31 3.636 4.898 2.730
244 HZ PHE 31 HZ PHE 31 5.206 6.788 2.899
245 H GLY 32 H GLY 32 -0.615 5.390 -3.049
246 1HA GLY 32 2HA GLY 32 -0.539 7.325 -5.068
247 2HA GLY 32 1HA GLY 32 -1.690 5.997 -4.974
248 H VAL 33 H VAL 33 -3.158 6.513 -2.797
249 HA VAL 33 HA VAL 33 -4.893 8.537 -3.635
250 HB VAL 33 HB VAL 33 -4.932 6.319 -1.951
251 1HG1 VAL 33 1HG1 VAL 33 -4.319 7.578 -0.015
252 2HG1 VAL 33 2HG1 VAL 33 -6.029 7.169 0.088
253 3HG1 VAL 33 3HG1 VAL 33 -5.540 8.801 -0.368
254 1HG2 VAL 33 1HG2 VAL 33 -6.965 8.394 -2.602
255 2HG2 VAL 33 2HG2 VAL 33 -7.330 6.844 -1.839
256 3HG2 VAL 33 3HG2 VAL 33 -6.629 6.890 -3.459
257 H ALA 34 H ALA 34 -2.711 8.220 -0.884
258 HA ALA 34 HA ALA 34 -3.173 10.666 0.347
259 1HB ALA 34 1HB ALA 34 -0.665 10.359 1.043
260 2HB ALA 34 2HB ALA 34 -0.851 8.786 0.268
261 3HB ALA 34 3HB ALA 34 -1.890 9.230 1.622
262 H ALA 35 H ALA 35 -1.212 9.810 -2.420
263 HA ALA 35 HA ALA 35 0.239 12.219 -2.668
264 1HB ALA 35 1HB ALA 35 1.216 10.635 -3.966
265 2HB ALA 35 2HB ALA 35 0.181 11.354 -5.200
266 3HB ALA 35 3HB ALA 35 -0.319 9.873 -4.385
267 H PHE 36 H PHE 36 -2.362 11.074 -4.832
268 HA PHE 36 HA PHE 36 -2.937 13.598 -5.906
269 1HB PHE 36 2HB PHE 36 -4.341 10.972 -5.807
270 2HB PHE 36 1HB PHE 36 -5.296 12.383 -6.250
271 HD1 PHE 36 1HD PHE 36 -3.137 9.849 -7.424
272 HD2 PHE 36 2HD PHE 36 -4.325 13.872 -8.136
273 HE1 PHE 36 1HE PHE 36 -2.299 9.683 -9.731
274 HE2 PHE 36 2HE PHE 36 -3.491 13.714 -10.445
275 HZ PHE 36 HZ PHE 36 -2.477 11.617 -11.246
276 H ALA 37 H ALA 37 -3.911 12.049 -2.983
277 HA ALA 37 HA ALA 37 -6.195 13.482 -2.282
278 1HB ALA 37 1HB ALA 37 -5.725 11.602 -0.974
279 2HB ALA 37 2HB ALA 37 -5.385 12.952 0.108
280 3HB ALA 37 3HB ALA 37 -4.059 12.104 -0.685
281 H HIS 38 H HIS 38 -2.793 14.110 -1.431
282 HA HIS 38 HA HIS 38 -3.354 16.586 -0.142
283 1HB HIS 38 2HB HIS 38 -0.689 15.749 -1.282
284 2HB HIS 38 1HB HIS 38 -0.993 16.836 0.068
285 HD1 HIS 38 1HD HIS 38 -3.159 14.717 1.305
286 HD2 HIS 38 2HD HIS 38 0.841 14.069 0.385
287 HE1 HIS 38 1HE HIS 38 -2.447 12.772 2.732
288 HE2 HIS 38 2HE HIS 38 -0.043 12.352 2.105
289 H LEU 39 H LEU 39 -2.408 15.645 -3.394
290 HA LEU 39 HA LEU 39 -1.864 18.274 -4.330
291 1HB LEU 39 2HB LEU 39 -1.543 15.729 -5.324
292 2HB LEU 39 1HB LEU 39 -2.826 16.368 -6.334
293 HG LEU 39 HG LEU 39 -1.358 18.318 -6.868
294 1HD1 LEU 39 1HD1 LEU 39 0.552 16.745 -5.178
295 2HD1 LEU 39 2HD1 LEU 39 0.162 18.463 -5.110
296 3HD1 LEU 39 3HD1 LEU 39 1.127 17.831 -6.444
297 1HD2 LEU 39 1HD2 LEU 39 -1.412 16.740 -8.559
298 2HD2 LEU 39 2HD2 LEU 39 -0.627 15.506 -7.573
299 3HD2 LEU 39 3HD2 LEU 39 0.312 16.855 -8.209
300 H LEU 40 H LEU 40 -4.767 16.408 -3.933
301 HA LEU 40 HA LEU 40 -6.314 18.405 -5.423
302 1HB LEU 40 2HB LEU 40 -8.100 16.832 -5.490
303 2HB LEU 40 1HB LEU 40 -6.631 15.985 -5.938
304 HG LEU 40 HG LEU 40 -6.615 15.378 -3.353
305 1HD1 LEU 40 1HD1 LEU 40 -9.187 14.838 -2.961
306 2HD1 LEU 40 2HD1 LEU 40 -9.370 16.307 -3.919
307 3HD1 LEU 40 3HD1 LEU 40 -8.444 16.342 -2.418
308 1HD2 LEU 40 1HD2 LEU 40 -8.534 13.921 -5.141
309 2HD2 LEU 40 2HD2 LEU 40 -7.429 13.267 -3.931
310 3HD2 LEU 40 3HD2 LEU 40 -6.797 13.910 -5.447
311 H VAL 41 H VAL 41 -5.293 17.873 -2.322
312 HA VAL 41 HA VAL 41 -7.654 18.359 -0.835
313 HB VAL 41 HB VAL 41 -5.467 17.409 0.054
314 1HG1 VAL 41 1HG1 VAL 41 -4.360 19.714 -0.879
315 2HG1 VAL 41 2HG1 VAL 41 -3.626 18.655 0.327
316 3HG1 VAL 41 3HG1 VAL 41 -4.543 20.073 0.838
317 1HG2 VAL 41 1HG2 VAL 41 -6.898 17.684 1.781
318 2HG2 VAL 41 2HG2 VAL 41 -7.257 19.358 1.360
319 3HG2 VAL 41 3HG2 VAL 41 -5.769 18.965 2.221
320 H TRP 42 H TRP 42 -5.366 20.427 -2.456
321 HA TRP 42 HA TRP 42 -7.102 22.705 -1.991
322 1HB TRP 42 2HB TRP 42 -5.171 22.487 -0.189
323 2HB TRP 42 1HB TRP 42 -4.202 23.193 -1.478
324 HD1 TRP 42 HD TRP 42 -3.897 25.653 -0.837
325 HE1 TRP 42 1HE TRP 42 -5.455 27.576 -0.129
326 HE3 TRP 42 3HE TRP 42 -8.282 23.051 -0.452
327 HZ2 TRP 42 2HZ TRP 42 -8.179 27.941 0.509
328 HZ3 TRP 42 3HZ TRP 42 -10.317 24.261 0.213
329 HH2 TRP 42 HH TRP 42 -10.265 26.656 0.685
330 H ILE 43 H ILE 43 -6.553 21.185 -4.295
331 HA ILE 43 HA ILE 43 -5.835 21.306 -6.459
332 HB ILE 43 HB ILE 43 -7.582 23.056 -6.360
333 1HG1 ILE 43 2HG1 ILE 43 -5.667 24.264 -8.242
334 2HG1 ILE 43 1HG1 ILE 43 -5.819 22.515 -8.378
335 1HG2 ILE 43 1HG2 ILE 43 -6.786 25.447 -6.426
336 2HG2 ILE 43 2HG2 ILE 43 -5.233 24.859 -5.831
337 3HG2 ILE 43 3HG2 ILE 43 -6.687 24.647 -4.857
338 1HD1 ILE 43 1HD1 ILE 43 -7.580 24.573 -9.301
339 2HD1 ILE 43 2HD1 ILE 43 -8.431 23.494 -8.195
340 3HD1 ILE 43 3HD1 ILE 43 -7.619 22.838 -9.616
341 H TRP 44 H TRP 44 -3.674 21.282 -4.657
342 HA TRP 44 HA TRP 44 -1.395 21.332 -4.927
343 1HB TRP 44 2HB TRP 44 -2.142 22.064 -7.440
344 2HB TRP 44 1HB TRP 44 -1.289 23.512 -6.913
345 HD1 TRP 44 HD TRP 44 -0.715 19.900 -7.921
346 HE1 TRP 44 1HE TRP 44 1.816 19.474 -8.122
347 HE3 TRP 44 3HE TRP 44 1.009 24.276 -5.916
348 HZ2 TRP 44 2HZ TRP 44 4.224 20.815 -7.512
349 HZ3 TRP 44 3HZ TRP 44 3.440 24.626 -5.760
350 HH2 TRP 44 HH TRP 44 5.013 22.929 -6.541
351 H ARG 45 H ARG 45 -0.799 22.172 -3.029
352 HA ARG 45 HA ARG 45 0.174 24.787 -2.848
353 1HB ARG 45 2HB ARG 45 -2.648 24.488 -2.198
354 2HB ARG 45 1HB ARG 45 -1.725 25.139 -0.850
355 1HG ARG 45 2HG ARG 45 -1.263 26.330 -3.522
356 2HG ARG 45 1HG ARG 45 -2.794 26.682 -2.718
357 1HD ARG 45 2HD ARG 45 -0.118 27.020 -1.381
358 2HD ARG 45 1HD ARG 45 -0.907 28.311 -2.288
359 HE ARG 45 HE ARG 45 -1.595 27.362 0.334
360 1HH1 ARG 45 1HH1 ARG 45 -2.797 28.958 -2.529
361 2HH1 ARG 45 2HH1 ARG 45 -4.079 29.766 -1.692
362 1HH2 ARG 45 1HH2 ARG 45 -3.282 28.423 1.435
363 2HH2 ARG 45 2HH2 ARG 45 -4.355 29.462 0.559
364 HA PRO 46 HA PRO 46 0.393 22.911 1.571
365 1HB PRO 46 2HB PRO 46 -1.030 20.618 2.049
366 2HB PRO 46 1HB PRO 46 -1.622 22.244 2.406
367 1HG PRO 46 2HG PRO 46 -2.256 20.458 0.105
368 2HG PRO 46 1HG PRO 46 -3.307 21.578 0.986
369 1HD PRO 46 2HD PRO 46 -2.237 22.131 -1.457
370 2HD PRO 46 1HD PRO 46 -2.646 23.377 -0.263
371 H TRP 47 H TRP 47 -0.496 19.822 0.078
372 HA TRP 47 HA TRP 47 0.688 17.947 -0.364
373 1HB TRP 47 2HB TRP 47 2.574 18.170 -1.816
374 2HB TRP 47 1HB TRP 47 1.441 19.454 -2.218
375 HD1 TRP 47 HD TRP 47 4.581 19.103 0.059
376 HE1 TRP 47 1HE TRP 47 5.959 21.264 -0.173
377 HE3 TRP 47 3HE TRP 47 1.529 21.674 -3.136
378 HZ2 TRP 47 2HZ TRP 47 5.776 23.733 -1.530
379 HZ3 TRP 47 3HZ TRP 47 2.203 23.930 -3.852
380 HH2 TRP 47 HH TRP 47 4.283 24.937 -3.064
381 H VAL 48 H VAL 48 2.238 16.505 0.408
382 HA VAL 48 HA VAL 48 4.270 17.405 2.256
383 HB VAL 48 HB VAL 48 2.079 15.597 3.288
384 1HG1 VAL 48 1HG1 VAL 48 3.930 16.905 5.152
385 2HG1 VAL 48 2HG1 VAL 48 4.673 15.711 4.087
386 3HG1 VAL 48 3HG1 VAL 48 3.324 15.248 5.125
387 1HG2 VAL 48 1HG2 VAL 48 1.537 17.508 4.795
388 2HG2 VAL 48 2HG2 VAL 48 1.168 17.805 3.097
389 3HG2 VAL 48 3HG2 VAL 48 2.610 18.516 3.825
390 HA PRO 49 HA PRO 49 4.906 13.269 0.079
391 1HB PRO 49 2HB PRO 49 6.553 13.998 -1.909
392 2HB PRO 49 1HB PRO 49 4.797 14.129 -2.068
393 1HG PRO 49 2HG PRO 49 6.805 16.258 -1.442
394 2HG PRO 49 1HG PRO 49 5.403 16.325 -2.524
395 1HD PRO 49 2HD PRO 49 5.418 17.325 0.030
396 2HD PRO 49 1HD PRO 49 3.954 16.781 -0.811
397 H GLY 50 H GLY 50 7.282 15.898 0.458
398 1HA GLY 50 2HA GLY 50 8.866 15.226 2.402
399 2HA GLY 50 1HA GLY 50 9.280 13.918 1.306
400 HA PRO 51 HA PRO 51 12.380 16.547 -0.407
401 1HB PRO 51 2HB PRO 51 12.657 15.479 -2.882
402 2HB PRO 51 1HB PRO 51 13.238 14.672 -1.421
403 1HG PRO 51 2HG PRO 51 10.725 14.198 -2.977
404 2HG PRO 51 1HG PRO 51 11.841 13.017 -2.267
405 1HD PRO 51 2HD PRO 51 9.497 13.717 -1.091
406 2HD PRO 51 1HD PRO 51 10.930 13.231 -0.165
407 H ASN 52 H ASN 52 9.716 15.869 -2.685
408 HA ASN 52 HA ASN 52 10.078 18.129 -4.297
409 1HB ASN 52 2HB ASN 52 8.582 16.025 -4.643
410 2HB ASN 52 1HB ASN 52 7.355 16.964 -3.796
411 1HD2 ASN 52 1HD2 ASN 52 5.978 17.734 -5.216
412 2HD2 ASN 52 2HD2 ASN 52 6.376 18.472 -6.726
413 H GLY 53 H GLY 53 8.523 19.966 -4.498
414 1HA GLY 53 2HA GLY 53 6.763 21.190 -3.148
415 2HA GLY 53 1HA GLY 53 7.882 21.002 -1.808
416 H TYR 54 H TYR 54 10.283 21.633 -2.846
417 HA TYR 54 HA TYR 54 11.593 23.490 -3.078
418 1HB TYR 54 2HB TYR 54 11.413 24.569 -5.255
419 2HB TYR 54 1HB TYR 54 11.196 22.831 -5.416
420 HD1 TYR 54 1HD TYR 54 9.041 21.898 -6.042
421 HD2 TYR 54 2HD TYR 54 9.564 26.102 -5.644
422 HE1 TYR 54 1HE TYR 54 6.920 22.270 -7.229
423 HE2 TYR 54 2HE TYR 54 7.444 26.484 -6.827
424 HH TYR 54 HH TYR 54 5.961 25.359 -8.359
425 H SER 55 H SER 55 9.252 23.868 -1.386
426 HA SER 55 HA SER 55 8.204 25.534 -0.249
427 1HB SER 55 2HB SER 55 10.400 27.094 -1.602
428 2HB SER 55 1HB SER 55 9.231 27.874 -0.537
429 HG SER 55 HG SER 55 10.757 25.620 0.240
Start of MODEL 8
1 1H ALA 1 1H ALA 1 2.756 -33.536 6.153
2 HA ALA 1 HA ALA 1 5.193 -34.969 5.903
3 1HB ALA 1 1HB ALA 1 4.521 -37.017 7.248
4 2HB ALA 1 2HB ALA 1 3.376 -35.963 8.079
5 3HB ALA 1 3HB ALA 1 5.105 -35.624 8.161
6 H GLU 2 H GLU 2 1.967 -36.298 6.572
7 HA GLU 2 HA GLU 2 1.933 -37.830 4.190
8 1HB GLU 2 2HB GLU 2 0.586 -38.029 6.476
9 2HB GLU 2 1HB GLU 2 -0.618 -37.131 5.562
10 1HG GLU 2 2HG GLU 2 -1.171 -38.901 4.320
11 2HG GLU 2 1HG GLU 2 0.505 -39.407 4.118
12 H VAL 3 H VAL 3 0.027 -34.974 5.154
13 HA VAL 3 HA VAL 3 -0.360 -34.390 2.290
14 HB VAL 3 HB VAL 3 -2.437 -33.158 3.017
15 1HG1 VAL 3 1HG1 VAL 3 -3.765 -35.025 2.751
16 2HG1 VAL 3 2HG1 VAL 3 -2.714 -36.044 3.733
17 3HG1 VAL 3 3HG1 VAL 3 -2.226 -35.587 2.101
18 1HG2 VAL 3 1HG2 VAL 3 -3.429 -33.871 5.176
19 2HG2 VAL 3 2HG2 VAL 3 -1.970 -32.898 5.366
20 3HG2 VAL 3 3HG2 VAL 3 -1.899 -34.647 5.585
21 H LYS 4 H LYS 4 0.036 -32.994 5.515
22 HA LYS 4 HA LYS 4 1.375 -31.209 6.123
23 1HB LYS 4 2HB LYS 4 2.251 -31.417 3.605
24 2HB LYS 4 1HB LYS 4 1.337 -29.925 3.444
25 1HG LYS 4 2HG LYS 4 2.707 -29.351 5.667
26 2HG LYS 4 1HG LYS 4 3.840 -30.468 4.905
27 1HD LYS 4 2HD LYS 4 3.119 -28.889 2.802
28 2HD LYS 4 1HD LYS 4 3.074 -27.742 4.142
29 1HE LYS 4 2HE LYS 4 5.350 -28.305 4.742
30 2HE LYS 4 1HE LYS 4 5.401 -29.545 3.490
31 1HZ LYS 4 1HZ LYS 4 4.832 -27.560 1.945
32 2HZ LYS 4 2HZ LYS 4 6.427 -27.789 2.460
33 3HZ LYS 4 3HZ LYS 4 5.459 -26.621 3.206
34 H GLN 5 H GLN 5 -1.157 -30.579 3.716
35 HA GLN 5 HA GLN 5 -2.746 -29.125 5.549
36 1HB GLN 5 2HB GLN 5 -0.855 -27.603 3.851
37 2HB GLN 5 1HB GLN 5 -2.500 -26.984 3.923
38 1HG GLN 5 2HG GLN 5 -2.073 -27.365 6.533
39 2HG GLN 5 1HG GLN 5 -0.413 -27.084 6.008
40 1HE2 GLN 5 1HE2 GLN 5 -2.017 -25.424 7.714
41 2HE2 GLN 5 2HE2 GLN 5 -2.167 -23.890 6.932
42 H GLU 6 H GLU 6 -2.936 -31.237 3.528
43 HA GLU 6 HA GLU 6 -4.221 -31.923 1.762
44 1HB GLU 6 2HB GLU 6 -6.222 -29.949 2.851
45 2HB GLU 6 1HB GLU 6 -6.545 -31.465 2.023
46 1HG GLU 6 2HG GLU 6 -5.096 -31.391 4.643
47 2HG GLU 6 1HG GLU 6 -6.857 -31.383 4.555
48 H SER 7 H SER 7 -2.679 -30.717 0.347
49 HA SER 7 HA SER 7 -2.496 -29.742 -1.715
50 1HB SER 7 2HB SER 7 -4.866 -29.923 -2.171
51 2HB SER 7 1HB SER 7 -5.205 -28.559 -1.112
52 HG SER 7 HG SER 7 -3.520 -28.335 -3.367
53 H LEU 8 H LEU 8 -0.713 -28.644 -0.995
54 HA LEU 8 HA LEU 8 -0.767 -26.350 0.629
55 1HB LEU 8 2HB LEU 8 1.396 -26.709 -1.387
56 2HB LEU 8 1HB LEU 8 1.500 -26.172 0.277
57 HG LEU 8 HG LEU 8 1.175 -29.002 -0.712
58 1HD1 LEU 8 1HD1 LEU 8 3.358 -27.440 0.603
59 2HD1 LEU 8 2HD1 LEU 8 3.427 -28.486 -0.816
60 3HD1 LEU 8 3HD1 LEU 8 3.267 -29.192 0.793
61 1HD2 LEU 8 1HD2 LEU 8 0.916 -29.751 1.502
62 2HD2 LEU 8 2HD2 LEU 8 -0.227 -28.420 1.330
63 3HD2 LEU 8 3HD2 LEU 8 1.301 -28.165 2.171
64 H SER 9 H SER 9 -1.704 -26.727 -2.610
65 HA SER 9 HA SER 9 -0.914 -24.302 -3.750
66 1HB SER 9 2HB SER 9 -3.619 -25.272 -4.463
67 2HB SER 9 1HB SER 9 -2.244 -24.898 -5.501
68 HG SER 9 HG SER 9 -2.947 -27.208 -5.218
69 H GLY 10 H GLY 10 -3.256 -25.001 -1.322
70 1HA GLY 10 2HA GLY 10 -4.799 -22.602 -1.666
71 2HA GLY 10 1HA GLY 10 -4.894 -23.721 -0.316
72 H ILE 11 H ILE 11 -2.000 -23.544 0.254
73 HA ILE 11 HA ILE 11 -2.138 -21.092 1.803
74 HB ILE 11 HB ILE 11 -1.337 -22.785 3.160
75 1HG1 ILE 11 2HG1 ILE 11 0.236 -20.727 2.937
76 2HG1 ILE 11 1HG1 ILE 11 0.792 -22.133 3.840
77 1HG2 ILE 11 1HG2 ILE 11 -1.062 -24.538 1.563
78 2HG2 ILE 11 2HG2 ILE 11 0.430 -24.404 2.492
79 3HG2 ILE 11 3HG2 ILE 11 0.348 -23.744 0.860
80 1HD1 ILE 11 1HD1 ILE 11 2.137 -20.855 1.811
81 2HD1 ILE 11 2HD1 ILE 11 1.477 -22.289 1.027
82 3HD1 ILE 11 3HD1 ILE 11 2.497 -22.456 2.455
83 H THR 12 H THR 12 -0.185 -22.514 -0.765
84 HA THR 12 HA THR 12 1.707 -20.423 -0.945
85 HB THR 12 HB THR 12 0.783 -22.353 -3.084
86 HG1 THR 12 1HG THR 12 1.849 -23.762 -1.987
87 1HG2 THR 12 1HG2 THR 12 3.547 -21.330 -3.041
88 2HG2 THR 12 2HG2 THR 12 2.295 -20.220 -3.598
89 3HG2 THR 12 3HG2 THR 12 2.516 -21.775 -4.400
90 H GLU 13 H GLU 13 -1.151 -21.163 -2.941
91 HA GLU 13 HA GLU 13 -1.030 -18.669 -4.334
92 1HB GLU 13 2HB GLU 13 -2.001 -20.764 -5.286
93 2HB GLU 13 1HB GLU 13 -3.339 -20.611 -4.157
94 1HG GLU 13 2HG GLU 13 -3.335 -18.160 -5.342
95 2HG GLU 13 1HG GLU 13 -2.818 -19.204 -6.665
96 H GLY 14 H GLY 14 -2.614 -19.830 -1.455
97 1HA GLY 14 2HA GLY 14 -4.573 -17.774 -1.267
98 2HA GLY 14 1HA GLY 14 -4.031 -18.808 0.047
99 H GLU 15 H GLU 15 -1.570 -18.245 0.594
100 HA GLU 15 HA GLU 15 -1.628 -15.695 1.791
101 1HB GLU 15 2HB GLU 15 -0.321 -17.552 2.712
102 2HB GLU 15 1HB GLU 15 0.722 -17.535 1.296
103 1HG GLU 15 2HG GLU 15 0.922 -14.962 2.143
104 2HG GLU 15 1HG GLU 15 0.728 -15.823 3.670
105 H ALA 16 H ALA 16 -0.003 -16.940 -1.090
106 HA ALA 16 HA ALA 16 1.490 -14.667 -1.743
107 1HB ALA 16 1HB ALA 16 1.570 -15.587 -4.008
108 2HB ALA 16 2HB ALA 16 0.273 -16.711 -3.600
109 3HB ALA 16 3HB ALA 16 1.839 -16.841 -2.799
110 H LYS 17 H LYS 17 -1.843 -15.544 -2.451
111 HA LYS 17 HA LYS 17 -2.375 -13.402 -4.233
112 1HB LYS 17 2HB LYS 17 -3.744 -15.439 -4.161
113 2HB LYS 17 1HB LYS 17 -4.273 -15.033 -2.534
114 1HG LYS 17 2HG LYS 17 -5.046 -12.804 -3.735
115 2HG LYS 17 1HG LYS 17 -5.078 -13.872 -5.140
116 1HD LYS 17 2HD LYS 17 -6.753 -15.191 -4.267
117 2HD LYS 17 1HD LYS 17 -6.359 -14.771 -2.600
118 1HE LYS 17 2HE LYS 17 -7.086 -12.358 -3.476
119 2HE LYS 17 1HE LYS 17 -8.045 -13.346 -4.577
120 1HZ LYS 17 1HZ LYS 17 -9.502 -13.280 -2.883
121 2HZ LYS 17 2HZ LYS 17 -8.324 -12.958 -1.714
122 3HZ LYS 17 3HZ LYS 17 -8.563 -14.541 -2.259
123 H GLU 18 H GLU 18 -3.051 -13.878 -0.775
124 HA GLU 18 HA GLU 18 -4.342 -11.440 -0.319
125 1HB GLU 18 2HB GLU 18 -2.889 -13.402 1.406
126 2HB GLU 18 1HB GLU 18 -3.347 -11.848 2.087
127 1HG GLU 18 2HG GLU 18 -5.664 -12.269 1.643
128 2HG GLU 18 1HG GLU 18 -5.269 -13.747 0.765
129 H PHE 19 H PHE 19 -0.953 -12.286 0.413
130 HA PHE 19 HA PHE 19 -0.126 -9.730 1.151
131 1HB PHE 19 2HB PHE 19 1.056 -12.124 1.207
132 2HB PHE 19 1HB PHE 19 1.823 -11.491 -0.246
133 HD1 PHE 19 1HD PHE 19 2.736 -9.007 0.028
134 HD2 PHE 19 2HD PHE 19 2.100 -11.759 3.212
135 HE1 PHE 19 1HE PHE 19 4.343 -7.765 1.417
136 HE2 PHE 19 2HE PHE 19 3.706 -10.521 4.607
137 HZ PHE 19 HZ PHE 19 4.830 -8.522 3.709
138 H HIS 20 H HIS 20 -0.520 -11.163 -2.007
139 HA HIS 20 HA HIS 20 1.012 -9.250 -3.446
140 1HB HIS 20 2HB HIS 20 -0.950 -11.379 -4.144
141 2HB HIS 20 1HB HIS 20 -0.635 -10.133 -5.346
142 HD1 HIS 20 1HD HIS 20 0.185 -13.171 -5.629
143 HD2 HIS 20 2HD HIS 20 2.694 -10.064 -4.483
144 HE1 HIS 20 1HE HIS 20 2.512 -13.953 -6.170
145 HE2 HIS 20 2HE HIS 20 4.020 -12.094 -5.384
146 H LYS 21 H LYS 21 -2.528 -9.702 -3.363
147 HA LYS 21 HA LYS 21 -3.163 -7.273 -4.576
148 1HB LYS 21 2HB LYS 21 -5.420 -7.603 -3.417
149 2HB LYS 21 1HB LYS 21 -4.879 -8.866 -4.512
150 1HG LYS 21 2HG LYS 21 -5.174 -10.346 -2.898
151 2HG LYS 21 1HG LYS 21 -3.903 -9.554 -1.967
152 1HD LYS 21 2HD LYS 21 -5.804 -9.605 -0.563
153 2HD LYS 21 1HD LYS 21 -5.684 -7.947 -1.155
154 1HE LYS 21 2HE LYS 21 -7.359 -8.474 -2.886
155 2HE LYS 21 1HE LYS 21 -7.509 -10.100 -2.219
156 1HZ LYS 21 1HZ LYS 21 -9.217 -9.058 -1.161
157 2HZ LYS 21 2HZ LYS 21 -8.452 -7.551 -1.131
158 3HZ LYS 21 3HZ LYS 21 -7.988 -8.756 -0.038
159 H ILE 22 H ILE 22 -2.975 -8.071 -1.107
160 HA ILE 22 HA ILE 22 -3.784 -5.580 -0.140
161 HB ILE 22 HB ILE 22 -2.849 -6.223 1.969
162 1HG1 ILE 22 2HG1 ILE 22 -1.574 -8.538 1.931
163 2HG1 ILE 22 1HG1 ILE 22 -1.154 -8.026 0.301
164 1HG2 ILE 22 1HG2 ILE 22 -3.603 -8.811 1.810
165 2HG2 ILE 22 2HG2 ILE 22 -4.336 -8.156 0.346
166 3HG2 ILE 22 3HG2 ILE 22 -4.722 -7.452 1.916
167 1HD1 ILE 22 1HD1 ILE 22 -0.655 -5.811 1.913
168 2HD1 ILE 22 2HD1 ILE 22 0.529 -6.898 1.186
169 3HD1 ILE 22 3HD1 ILE 22 -0.059 -7.199 2.822
170 H PHE 23 H PHE 23 -0.577 -6.789 -1.000
171 HA PHE 23 HA PHE 23 0.900 -4.584 -0.059
172 1HB PHE 23 2HB PHE 23 1.969 -6.707 -0.612
173 2HB PHE 23 1HB PHE 23 1.527 -6.515 -2.305
174 HD1 PHE 23 1HD PHE 23 3.896 -5.687 0.280
175 HD2 PHE 23 2HD PHE 23 2.580 -4.696 -3.644
176 HE1 PHE 23 1HE PHE 23 6.017 -4.510 -0.131
177 HE2 PHE 23 2HE PHE 23 4.699 -3.519 -4.062
178 HZ PHE 23 HZ PHE 23 6.421 -3.425 -2.304
179 H THR 24 H THR 24 0.292 -5.396 -3.471
180 HA THR 24 HA THR 24 0.985 -2.969 -4.564
181 HB THR 24 HB THR 24 -0.011 -5.368 -5.493
182 HG1 THR 24 1HG THR 24 1.504 -4.087 -6.541
183 1HG2 THR 24 1HG2 THR 24 -2.327 -4.594 -5.365
184 2HG2 THR 24 2HG2 THR 24 -1.806 -4.866 -7.027
185 3HG2 THR 24 3HG2 THR 24 -1.918 -3.223 -6.395
186 H SER 25 H SER 25 -2.223 -4.008 -3.448
187 HA SER 25 HA SER 25 -3.707 -1.798 -4.197
188 1HB SER 25 2HB SER 25 -4.780 -3.774 -3.302
189 2HB SER 25 1HB SER 25 -3.997 -3.540 -1.740
190 HG SER 25 HG SER 25 -5.195 -1.632 -1.489
191 H SER 26 H SER 26 -2.537 -2.321 -0.872
192 HA SER 26 HA SER 26 -3.022 0.144 0.173
193 1HB SER 26 2HB SER 26 -1.465 -0.359 1.892
194 2HB SER 26 1HB SER 26 -2.096 -1.913 1.350
195 HG SER 26 HG SER 26 -0.138 -2.448 0.848
196 H ILE 27 H ILE 27 -0.089 -0.801 -1.623
197 HA ILE 27 HA ILE 27 1.254 1.659 -1.296
198 HB ILE 27 HB ILE 27 1.498 -0.351 -3.542
199 1HG1 ILE 27 2HG1 ILE 27 2.004 -1.338 -1.383
200 2HG1 ILE 27 1HG1 ILE 27 3.502 -1.101 -2.278
201 1HG2 ILE 27 1HG2 ILE 27 3.905 0.801 -3.467
202 2HG2 ILE 27 2HG2 ILE 27 2.925 2.173 -2.948
203 3HG2 ILE 27 3HG2 ILE 27 2.597 1.390 -4.495
204 1HD1 ILE 27 1HD1 ILE 27 3.870 0.981 -0.984
205 2HD1 ILE 27 2HD1 ILE 27 3.858 -0.485 -0.004
206 3HD1 ILE 27 3HD1 ILE 27 2.450 0.577 -0.020
207 H LEU 28 H LEU 28 -0.970 0.470 -3.738
208 HA LEU 28 HA LEU 28 -0.814 2.641 -5.525
209 1HB LEU 28 2HB LEU 28 -2.583 0.334 -5.053
210 2HB LEU 28 1HB LEU 28 -3.334 1.688 -5.875
211 HG LEU 28 HG LEU 28 -1.863 1.544 -7.692
212 1HD1 LEU 28 1HD1 LEU 28 0.290 1.207 -7.154
213 2HD1 LEU 28 2HD1 LEU 28 -0.092 -0.499 -7.390
214 3HD1 LEU 28 3HD1 LEU 28 -0.114 0.193 -5.769
215 1HD2 LEU 28 1HD2 LEU 28 -2.860 -1.095 -6.713
216 2HD2 LEU 28 2HD2 LEU 28 -1.953 -0.996 -8.223
217 3HD2 LEU 28 3HD2 LEU 28 -3.456 -0.094 -8.037
218 H VAL 29 H VAL 29 -3.395 1.816 -3.290
219 HA VAL 29 HA VAL 29 -4.782 4.242 -3.497
220 HB VAL 29 HB VAL 29 -5.767 3.404 -1.199
221 1HG1 VAL 29 1HG1 VAL 29 -7.489 2.626 -2.421
222 2HG1 VAL 29 2HG1 VAL 29 -6.465 1.548 -3.372
223 3HG1 VAL 29 3HG1 VAL 29 -6.548 3.265 -3.769
224 1HG2 VAL 29 1HG2 VAL 29 -5.072 0.706 -2.137
225 2HG2 VAL 29 2HG2 VAL 29 -5.290 1.321 -0.498
226 3HG2 VAL 29 3HG2 VAL 29 -3.773 1.598 -1.350
227 H PHE 30 H PHE 30 -2.680 3.058 -0.849
228 HA PHE 30 HA PHE 30 -2.924 5.343 0.763
229 1HB PHE 30 2HB PHE 30 -1.929 2.986 1.276
230 2HB PHE 30 1HB PHE 30 -0.415 3.702 0.732
231 HD1 PHE 30 1HD PHE 30 -2.748 3.378 3.431
232 HD2 PHE 30 2HD PHE 30 0.435 5.762 1.915
233 HE1 PHE 30 1HE PHE 30 -2.413 4.346 5.668
234 HE2 PHE 30 2HE PHE 30 0.776 6.734 4.150
235 HZ PHE 30 HZ PHE 30 -0.649 6.026 6.029
236 H PHE 31 H PHE 31 -0.734 4.597 -1.854
237 HA PHE 31 HA PHE 31 0.713 7.105 -1.480
238 1HB PHE 31 2HB PHE 31 1.708 4.704 -2.116
239 2HB PHE 31 1HB PHE 31 1.357 5.280 -3.742
240 HD1 PHE 31 1HD PHE 31 3.607 5.427 -0.964
241 HD2 PHE 31 2HD PHE 31 2.362 7.478 -4.480
242 HE1 PHE 31 1HE PHE 31 5.707 6.710 -0.956
243 HE2 PHE 31 2HE PHE 31 4.460 8.762 -4.479
244 HZ PHE 31 HZ PHE 31 6.136 8.379 -2.715
245 H GLY 32 H GLY 32 -1.843 5.770 -3.244
246 1HA GLY 32 2HA GLY 32 -1.653 7.497 -5.545
247 2HA GLY 32 1HA GLY 32 -3.011 6.450 -5.117
248 H VAL 33 H VAL 33 -3.217 7.291 -2.471
249 HA VAL 33 HA VAL 33 -4.812 9.642 -2.768
250 HB VAL 33 HB VAL 33 -5.303 9.300 -0.400
251 1HG1 VAL 33 1HG1 VAL 33 -5.607 7.099 -2.346
252 2HG1 VAL 33 2HG1 VAL 33 -6.834 8.129 -1.608
253 3HG1 VAL 33 3HG1 VAL 33 -6.108 6.817 -0.679
254 1HG2 VAL 33 1HG2 VAL 33 -3.438 8.523 0.667
255 2HG2 VAL 33 2HG2 VAL 33 -3.117 7.319 -0.576
256 3HG2 VAL 33 3HG2 VAL 33 -4.429 7.068 0.569
257 H ALA 34 H ALA 34 -1.975 8.748 -0.777
258 HA ALA 34 HA ALA 34 -1.425 11.195 0.344
259 1HB ALA 34 1HB ALA 34 -0.082 9.441 1.093
260 2HB ALA 34 2HB ALA 34 1.038 10.414 0.140
261 3HB ALA 34 3HB ALA 34 0.346 8.943 -0.544
262 H ALA 35 H ALA 35 -0.535 9.942 -2.828
263 HA ALA 35 HA ALA 35 0.969 12.147 -3.721
264 1HB ALA 35 1HB ALA 35 -0.578 10.051 -5.235
265 2HB ALA 35 2HB ALA 35 1.139 10.033 -4.837
266 3HB ALA 35 3HB ALA 35 0.514 11.213 -5.988
267 H PHE 36 H PHE 36 -2.221 11.219 -5.002
268 HA PHE 36 HA PHE 36 -2.788 13.814 -5.979
269 1HB PHE 36 2HB PHE 36 -4.164 11.216 -5.848
270 2HB PHE 36 1HB PHE 36 -5.238 12.610 -5.857
271 HD1 PHE 36 1HD PHE 36 -5.957 13.366 -7.895
272 HD2 PHE 36 2HD PHE 36 -2.195 11.394 -7.643
273 HE1 PHE 36 1HE PHE 36 -5.705 13.545 -10.336
274 HE2 PHE 36 2HE PHE 36 -1.935 11.570 -10.084
275 HZ PHE 36 HZ PHE 36 -3.691 12.647 -11.433
276 H ALA 37 H ALA 37 -4.189 11.997 -3.249
277 HA ALA 37 HA ALA 37 -5.951 13.848 -2.271
278 1HB ALA 37 1HB ALA 37 -4.279 12.343 -0.308
279 2HB ALA 37 2HB ALA 37 -5.302 11.450 -1.434
280 3HB ALA 37 3HB ALA 37 -6.021 12.617 -0.327
281 H HIS 38 H HIS 38 -2.556 13.542 -1.085
282 HA HIS 38 HA HIS 38 -2.687 15.911 0.449
283 1HB HIS 38 2HB HIS 38 -0.214 14.648 -0.763
284 2HB HIS 38 1HB HIS 38 -0.254 15.768 0.587
285 HD1 HIS 38 1HD HIS 38 -2.941 13.947 1.566
286 HD2 HIS 38 2HD HIS 38 1.062 12.900 1.182
287 HE1 HIS 38 1HE HIS 38 -2.619 11.955 3.068
288 HE2 HIS 38 2HE HIS 38 -0.209 11.289 2.755
289 H LEU 39 H LEU 39 -1.979 15.308 -2.916
290 HA LEU 39 HA LEU 39 -0.875 17.858 -3.488
291 1HB LEU 39 2HB LEU 39 -2.002 15.609 -5.077
292 2HB LEU 39 1HB LEU 39 -1.910 17.175 -5.856
293 HG LEU 39 HG LEU 39 0.515 16.023 -4.525
294 1HD1 LEU 39 1HD1 LEU 39 0.998 14.583 -6.196
295 2HD1 LEU 39 2HD1 LEU 39 0.170 15.547 -7.418
296 3HD1 LEU 39 3HD1 LEU 39 -0.758 14.512 -6.334
297 1HD2 LEU 39 1HD2 LEU 39 0.792 17.444 -7.044
298 2HD2 LEU 39 2HD2 LEU 39 1.574 17.730 -5.489
299 3HD2 LEU 39 3HD2 LEU 39 -0.022 18.405 -5.810
300 H LEU 40 H LEU 40 -4.005 16.801 -2.707
301 HA LEU 40 HA LEU 40 -5.112 19.378 -3.576
302 1HB LEU 40 2HB LEU 40 -7.246 18.305 -4.031
303 2HB LEU 40 1HB LEU 40 -5.973 17.616 -5.021
304 HG LEU 40 HG LEU 40 -5.862 15.783 -3.182
305 1HD1 LEU 40 1HD1 LEU 40 -8.289 17.299 -2.458
306 2HD1 LEU 40 2HD1 LEU 40 -7.209 16.333 -1.454
307 3HD1 LEU 40 3HD1 LEU 40 -8.427 15.542 -2.455
308 1HD2 LEU 40 1HD2 LEU 40 -7.191 14.430 -4.494
309 2HD2 LEU 40 2HD2 LEU 40 -6.807 15.743 -5.608
310 3HD2 LEU 40 3HD2 LEU 40 -8.373 15.704 -4.797
311 H VAL 41 H VAL 41 -4.084 18.002 -0.927
312 HA VAL 41 HA VAL 41 -5.901 19.389 0.753
313 HB VAL 41 HB VAL 41 -7.155 17.276 0.328
314 1HG1 VAL 41 1HG1 VAL 41 -5.795 15.552 2.116
315 2HG1 VAL 41 2HG1 VAL 41 -4.623 16.097 0.917
316 3HG1 VAL 41 3HG1 VAL 41 -6.115 15.312 0.398
317 1HG2 VAL 41 1HG2 VAL 41 -6.911 18.733 2.567
318 2HG2 VAL 41 2HG2 VAL 41 -6.474 17.139 3.180
319 3HG2 VAL 41 3HG2 VAL 41 -8.031 17.384 2.390
320 H TRP 42 H TRP 42 -3.013 19.310 0.253
321 HA TRP 42 HA TRP 42 -2.178 18.748 3.017
322 1HB TRP 42 2HB TRP 42 -1.295 16.988 1.546
323 2HB TRP 42 1HB TRP 42 -0.502 18.208 0.559
324 HD1 TRP 42 HD TRP 42 -0.496 18.010 4.424
325 HE1 TRP 42 1HE TRP 42 1.949 17.844 5.208
326 HE3 TRP 42 3HE TRP 42 1.802 17.723 -0.135
327 HZ2 TRP 42 2HZ TRP 42 4.513 17.623 4.048
328 HZ3 TRP 42 3HZ TRP 42 4.254 17.537 -0.210
329 HH2 TRP 42 HH TRP 42 5.581 17.488 1.840
330 H ILE 43 H ILE 43 -0.173 20.017 0.391
331 HA ILE 43 HA ILE 43 -0.499 22.743 1.226
332 HB ILE 43 HB ILE 43 1.032 21.696 2.963
333 1HG1 ILE 43 2HG1 ILE 43 2.786 23.663 2.525
334 2HG1 ILE 43 1HG1 ILE 43 1.557 24.146 1.360
335 1HG2 ILE 43 1HG2 ILE 43 2.299 20.401 1.144
336 2HG2 ILE 43 2HG2 ILE 43 3.229 21.119 2.459
337 3HG2 ILE 43 3HG2 ILE 43 3.176 21.909 0.882
338 1HD1 ILE 43 1HD1 ILE 43 0.083 23.617 3.606
339 2HD1 ILE 43 2HD1 ILE 43 0.611 25.211 3.064
340 3HD1 ILE 43 3HD1 ILE 43 1.560 24.325 4.259
341 H TRP 44 H TRP 44 -0.420 20.924 -1.220
342 HA TRP 44 HA TRP 44 1.812 21.775 -2.778
343 1HB TRP 44 2HB TRP 44 0.357 19.690 -3.132
344 2HB TRP 44 1HB TRP 44 -0.801 20.775 -3.896
345 HD1 TRP 44 HD TRP 44 -0.477 21.158 -6.412
346 HE1 TRP 44 1HE TRP 44 1.406 20.712 -8.110
347 HE3 TRP 44 3HE TRP 44 3.170 19.594 -3.188
348 HZ2 TRP 44 2HZ TRP 44 4.083 19.817 -8.085
349 HZ3 TRP 44 3HZ TRP 44 5.364 18.961 -4.107
350 HH2 TRP 44 HH TRP 44 5.809 19.071 -6.504
351 H ARG 45 H ARG 45 -1.641 22.632 -2.825
352 HA ARG 45 HA ARG 45 -1.286 25.367 -3.139
353 1HB ARG 45 2HB ARG 45 -0.545 24.103 -5.474
354 2HB ARG 45 1HB ARG 45 -2.214 24.551 -5.794
355 1HG ARG 45 2HG ARG 45 -1.416 26.874 -4.844
356 2HG ARG 45 1HG ARG 45 0.164 26.273 -5.350
357 1HD ARG 45 2HD ARG 45 -2.261 26.368 -7.136
358 2HD ARG 45 1HD ARG 45 -1.031 27.629 -7.075
359 HE ARG 45 HE ARG 45 0.076 25.040 -7.567
360 1HH1 ARG 45 1HH1 ARG 45 -1.497 27.766 -9.074
361 2HH1 ARG 45 2HH1 ARG 45 -0.827 27.447 -10.638
362 1HH2 ARG 45 1HH2 ARG 45 0.959 24.619 -9.623
363 2HH2 ARG 45 2HH2 ARG 45 0.566 25.660 -10.951
364 HA PRO 46 HA PRO 46 -5.835 24.095 -4.407
365 1HB PRO 46 2HB PRO 46 -5.768 21.195 -3.835
366 2HB PRO 46 1HB PRO 46 -6.508 22.059 -5.185
367 1HG PRO 46 2HG PRO 46 -4.284 20.612 -5.518
368 2HG PRO 46 1HG PRO 46 -4.538 22.134 -6.393
369 1HD PRO 46 2HD PRO 46 -2.841 21.590 -3.988
370 2HD PRO 46 1HD PRO 46 -2.502 22.614 -5.398
371 H TRP 47 H TRP 47 -4.858 21.512 -2.133
372 HA TRP 47 HA TRP 47 -5.348 21.161 0.061
373 1HB TRP 47 2HB TRP 47 -4.530 23.781 -0.078
374 2HB TRP 47 1HB TRP 47 -6.099 23.928 0.704
375 HD1 TRP 47 HD TRP 47 -5.250 20.793 2.015
376 HE1 TRP 47 1HE TRP 47 -3.939 20.920 4.226
377 HE3 TRP 47 3HE TRP 47 -3.724 25.666 1.774
378 HZ2 TRP 47 2HZ TRP 47 -2.455 22.834 5.676
379 HZ3 TRP 47 3HZ TRP 47 -2.362 26.568 3.615
380 HH2 TRP 47 HH TRP 47 -1.742 25.180 5.524
381 H VAL 48 H VAL 48 -7.141 20.681 1.346
382 HA VAL 48 HA VAL 48 -9.646 20.794 0.006
383 HB VAL 48 HB VAL 48 -8.918 18.924 1.510
384 1HG1 VAL 48 1HG1 VAL 48 -9.522 20.971 3.623
385 2HG1 VAL 48 2HG1 VAL 48 -8.083 19.971 3.438
386 3HG1 VAL 48 3HG1 VAL 48 -9.606 19.240 3.940
387 1HG2 VAL 48 1HG2 VAL 48 -11.586 20.248 1.649
388 2HG2 VAL 48 2HG2 VAL 48 -11.282 18.801 2.611
389 3HG2 VAL 48 3HG2 VAL 48 -11.113 18.745 0.856
390 HA PRO 49 HA PRO 49 -10.815 24.032 3.329
391 1HB PRO 49 2HB PRO 49 -8.900 25.485 4.497
392 2HB PRO 49 1HB PRO 49 -9.324 23.876 5.095
393 1HG PRO 49 2HG PRO 49 -7.015 24.721 3.397
394 2HG PRO 49 1HG PRO 49 -7.056 23.562 4.737
395 1HD PRO 49 2HD PRO 49 -7.120 22.885 2.062
396 2HD PRO 49 1HD PRO 49 -7.699 21.852 3.377
397 H GLY 50 H GLY 50 -11.380 24.795 1.141
398 1HA GLY 50 2HA GLY 50 -10.649 27.525 0.796
399 2HA GLY 50 1HA GLY 50 -9.891 26.519 -0.428
400 HA PRO 51 HA PRO 51 -14.591 27.713 -1.169
401 1HB PRO 51 2HB PRO 51 -13.303 29.595 -3.087
402 2HB PRO 51 1HB PRO 51 -14.761 29.804 -2.113
403 1HG PRO 51 2HG PRO 51 -12.490 31.016 -1.434
404 2HG PRO 51 1HG PRO 51 -13.565 30.337 -0.198
405 1HD PRO 51 2HD PRO 51 -10.982 29.278 -1.258
406 2HD PRO 51 1HD PRO 51 -11.640 29.211 0.389
407 H ASN 52 H ASN 52 -12.110 28.122 -3.705
408 HA ASN 52 HA ASN 52 -13.563 26.206 -5.369
409 1HB ASN 52 2HB ASN 52 -11.536 28.344 -5.912
410 2HB ASN 52 1HB ASN 52 -11.736 27.030 -7.068
411 1HD2 ASN 52 1HD2 ASN 52 -12.587 30.074 -6.528
412 2HD2 ASN 52 2HD2 ASN 52 -14.143 30.115 -7.276
413 H GLY 53 H GLY 53 -11.827 25.023 -6.926
414 1HA GLY 53 2HA GLY 53 -9.370 24.170 -6.065
415 2HA GLY 53 1HA GLY 53 -10.509 23.158 -5.191
416 H TYR 54 H TYR 54 -12.461 23.107 -7.347
417 HA TYR 54 HA TYR 54 -11.287 20.957 -8.870
418 1HB TYR 54 2HB TYR 54 -14.051 22.112 -9.231
419 2HB TYR 54 1HB TYR 54 -13.493 20.491 -9.632
420 HD1 TYR 54 1HD TYR 54 -14.737 22.676 -7.006
421 HD2 TYR 54 2HD TYR 54 -13.100 18.839 -7.841
422 HE1 TYR 54 1HE TYR 54 -15.498 21.879 -4.808
423 HE2 TYR 54 2HE TYR 54 -13.857 18.031 -5.645
424 HH TYR 54 HH TYR 54 -16.021 19.810 -3.678
425 H SER 55 H SER 55 -11.799 20.856 -11.278
426 HA SER 55 HA SER 55 -11.394 21.625 -13.380
427 1HB SER 55 2HB SER 55 -13.395 23.129 -12.557
428 2HB SER 55 1HB SER 55 -12.178 24.405 -12.586
429 HG SER 55 HG SER 55 -13.489 23.919 -14.584
Start of MODEL 9
1 1H ALA 1 1H ALA 1 -5.386 -35.031 -5.497
2 HA ALA 1 HA ALA 1 -4.729 -33.244 -7.602
3 1HB ALA 1 1HB ALA 1 -6.080 -33.702 -9.348
4 2HB ALA 1 2HB ALA 1 -7.366 -34.344 -8.325
5 3HB ALA 1 3HB ALA 1 -5.972 -35.348 -8.723
6 H GLU 2 H GLU 2 -5.399 -33.239 -4.815
7 HA GLU 2 HA GLU 2 -7.013 -30.950 -4.692
8 1HB GLU 2 2HB GLU 2 -8.621 -33.079 -5.073
9 2HB GLU 2 1HB GLU 2 -8.503 -33.114 -3.320
10 1HG GLU 2 2HG GLU 2 -9.430 -30.953 -3.118
11 2HG GLU 2 1HG GLU 2 -9.259 -30.641 -4.845
12 H VAL 3 H VAL 3 -5.904 -33.833 -2.981
13 HA VAL 3 HA VAL 3 -5.562 -32.246 -0.535
14 HB VAL 3 HB VAL 3 -4.875 -35.107 -0.411
15 1HG1 VAL 3 1HG1 VAL 3 -5.389 -33.154 1.388
16 2HG1 VAL 3 2HG1 VAL 3 -5.514 -34.879 1.733
17 3HG1 VAL 3 3HG1 VAL 3 -6.959 -33.956 1.316
18 1HG2 VAL 3 1HG2 VAL 3 -7.432 -35.596 -0.218
19 2HG2 VAL 3 2HG2 VAL 3 -6.649 -35.611 -1.797
20 3HG2 VAL 3 3HG2 VAL 3 -7.584 -34.204 -1.290
21 H LYS 4 H LYS 4 -3.542 -33.508 0.728
22 HA LYS 4 HA LYS 4 -1.287 -34.021 0.748
23 1HB LYS 4 2HB LYS 4 -1.672 -34.513 -1.834
24 2HB LYS 4 1HB LYS 4 -0.807 -32.992 -2.011
25 1HG LYS 4 2HG LYS 4 1.158 -33.863 -1.293
26 2HG LYS 4 1HG LYS 4 0.380 -35.011 -0.202
27 1HD LYS 4 2HD LYS 4 -0.429 -36.165 -2.369
28 2HD LYS 4 1HD LYS 4 0.840 -35.226 -3.157
29 1HE LYS 4 2HE LYS 4 1.205 -37.167 -0.877
30 2HE LYS 4 1HE LYS 4 1.650 -37.442 -2.560
31 1HZ LYS 4 1HZ LYS 4 3.221 -35.601 -2.395
32 2HZ LYS 4 2HZ LYS 4 3.569 -36.806 -1.261
33 3HZ LYS 4 3HZ LYS 4 2.810 -35.376 -0.769
34 H GLN 5 H GLN 5 -2.009 -31.164 -1.262
35 HA GLN 5 HA GLN 5 0.116 -29.610 -0.232
36 1HB GLN 5 2HB GLN 5 -1.934 -29.315 -2.181
37 2HB GLN 5 1HB GLN 5 -2.011 -27.920 -1.114
38 1HG GLN 5 2HG GLN 5 0.169 -27.258 -1.628
39 2HG GLN 5 1HG GLN 5 0.577 -28.830 -2.314
40 1HE2 GLN 5 1HE2 GLN 5 -0.787 -25.737 -2.883
41 2HE2 GLN 5 2HE2 GLN 5 -1.093 -25.934 -4.572
42 H GLU 6 H GLU 6 -3.120 -30.236 0.868
43 HA GLU 6 HA GLU 6 -4.180 -29.744 2.820
44 1HB GLU 6 2HB GLU 6 -1.632 -28.414 3.736
45 2HB GLU 6 1HB GLU 6 -2.927 -29.053 4.738
46 1HG GLU 6 2HG GLU 6 -1.681 -31.005 2.937
47 2HG GLU 6 1HG GLU 6 -0.620 -30.350 4.183
48 H SER 7 H SER 7 -5.641 -28.339 1.945
49 HA SER 7 HA SER 7 -6.812 -26.359 2.192
50 1HB SER 7 2HB SER 7 -5.932 -24.445 3.127
51 2HB SER 7 1HB SER 7 -4.821 -25.649 3.779
52 HG SER 7 HG SER 7 -4.411 -23.971 1.533
53 H LEU 8 H LEU 8 -4.018 -26.821 0.207
54 HA LEU 8 HA LEU 8 -3.372 -25.900 -1.823
55 1HB LEU 8 2HB LEU 8 -6.103 -27.058 -2.158
56 2HB LEU 8 1HB LEU 8 -5.183 -26.462 -3.525
57 HG LEU 8 HG LEU 8 -3.346 -28.070 -2.844
58 1HD1 LEU 8 1HD1 LEU 8 -5.518 -28.926 -0.964
59 2HD1 LEU 8 2HD1 LEU 8 -3.814 -28.617 -0.627
60 3HD1 LEU 8 3HD1 LEU 8 -4.289 -30.057 -1.528
61 1HD2 LEU 8 1HD2 LEU 8 -4.615 -30.068 -3.739
62 2HD2 LEU 8 2HD2 LEU 8 -4.636 -28.618 -4.743
63 3HD2 LEU 8 3HD2 LEU 8 -6.043 -29.032 -3.762
64 H SER 9 H SER 9 -6.831 -25.164 -2.189
65 HA SER 9 HA SER 9 -6.456 -22.785 -3.562
66 1HB SER 9 2HB SER 9 -8.625 -23.889 -3.524
67 2HB SER 9 1HB SER 9 -8.774 -23.606 -1.790
68 HG SER 9 HG SER 9 -9.447 -21.992 -3.813
69 H GLY 10 H GLY 10 -6.453 -23.458 -0.150
70 1HA GLY 10 2HA GLY 10 -6.503 -20.693 0.657
71 2HA GLY 10 1HA GLY 10 -6.192 -22.084 1.692
72 H ILE 11 H ILE 11 -4.118 -23.018 -0.326
73 HA ILE 11 HA ILE 11 -1.886 -21.713 0.928
74 HB ILE 11 HB ILE 11 -1.792 -23.551 -1.465
75 1HG1 ILE 11 2HG1 ILE 11 -1.823 -24.238 1.483
76 2HG1 ILE 11 1HG1 ILE 11 -3.063 -24.642 0.302
77 1HG2 ILE 11 1HG2 ILE 11 0.309 -23.487 0.623
78 2HG2 ILE 11 2HG2 ILE 11 0.214 -22.111 -0.474
79 3HG2 ILE 11 3HG2 ILE 11 0.444 -23.736 -1.118
80 1HD1 ILE 11 1HD1 ILE 11 -1.030 -25.834 -0.887
81 2HD1 ILE 11 2HD1 ILE 11 -1.959 -26.620 0.390
82 3HD1 ILE 11 3HD1 ILE 11 -0.408 -25.866 0.763
83 H THR 12 H THR 12 -2.873 -22.009 -2.487
84 HA THR 12 HA THR 12 -1.089 -20.051 -3.447
85 HB THR 12 HB THR 12 -2.572 -20.040 -5.471
86 HG1 THR 12 1HG THR 12 -4.059 -22.001 -4.075
87 1HG2 THR 12 1HG2 THR 12 -1.093 -21.672 -5.893
88 2HG2 THR 12 2HG2 THR 12 -2.494 -22.715 -5.649
89 3HG2 THR 12 3HG2 THR 12 -1.347 -22.456 -4.334
90 H GLU 13 H GLU 13 -4.574 -19.871 -2.724
91 HA GLU 13 HA GLU 13 -4.842 -17.125 -3.303
92 1HB GLU 13 2HB GLU 13 -6.672 -18.920 -2.984
93 2HB GLU 13 1HB GLU 13 -6.525 -18.567 -1.268
94 1HG GLU 13 2HG GLU 13 -8.283 -17.226 -1.946
95 2HG GLU 13 1HG GLU 13 -6.909 -16.122 -1.944
96 H GLY 14 H GLY 14 -3.818 -18.864 -0.450
97 1HA GLY 14 2HA GLY 14 -4.061 -16.764 1.423
98 2HA GLY 14 1HA GLY 14 -2.993 -18.153 1.573
99 H GLU 15 H GLU 15 -1.076 -17.993 -0.094
100 HA GLU 15 HA GLU 15 0.508 -15.809 0.711
101 1HB GLU 15 2HB GLU 15 0.873 -17.784 -1.549
102 2HB GLU 15 1HB GLU 15 2.098 -16.625 -1.052
103 1HG GLU 15 2HG GLU 15 1.027 -18.290 1.111
104 2HG GLU 15 1HG GLU 15 1.910 -19.165 -0.139
105 H ALA 16 H ALA 16 -1.217 -16.515 -2.292
106 HA ALA 16 HA ALA 16 -0.372 -14.310 -3.789
107 1HB ALA 16 1HB ALA 16 -1.625 -16.288 -4.658
108 2HB ALA 16 2HB ALA 16 -2.249 -14.735 -5.215
109 3HB ALA 16 3HB ALA 16 -3.085 -15.615 -3.935
110 H LYS 17 H LYS 17 -3.016 -14.680 -1.481
111 HA LYS 17 HA LYS 17 -4.180 -12.135 -1.902
112 1HB LYS 17 2HB LYS 17 -5.415 -13.929 -0.812
113 2HB LYS 17 1HB LYS 17 -4.257 -13.957 0.511
114 1HG LYS 17 2HG LYS 17 -4.929 -11.547 0.949
115 2HG LYS 17 1HG LYS 17 -6.274 -11.836 -0.154
116 1HD LYS 17 2HD LYS 17 -7.316 -13.295 1.279
117 2HD LYS 17 1HD LYS 17 -5.807 -13.773 2.059
118 1HE LYS 17 2HE LYS 17 -5.902 -11.165 2.744
119 2HE LYS 17 1HE LYS 17 -7.625 -11.527 2.650
120 1HZ LYS 17 1HZ LYS 17 -5.603 -12.899 4.333
121 2HZ LYS 17 2HZ LYS 17 -7.198 -13.434 4.151
122 3HZ LYS 17 3HZ LYS 17 -6.886 -11.931 4.864
123 H GLU 18 H GLU 18 -1.587 -13.300 0.153
124 HA GLU 18 HA GLU 18 -1.362 -11.006 1.791
125 1HB GLU 18 2HB GLU 18 -0.295 -13.415 1.979
126 2HB GLU 18 1HB GLU 18 1.035 -12.657 1.114
127 1HG GLU 18 2HG GLU 18 0.653 -10.829 3.036
128 2HG GLU 18 1HG GLU 18 0.110 -12.276 3.885
129 H PHE 19 H PHE 19 0.848 -12.055 -0.796
130 HA PHE 19 HA PHE 19 2.221 -9.654 -1.043
131 1HB PHE 19 2HB PHE 19 2.687 -12.028 -2.043
132 2HB PHE 19 1HB PHE 19 1.793 -11.410 -3.427
133 HD1 PHE 19 1HD PHE 19 4.641 -10.542 -1.193
134 HD2 PHE 19 2HD PHE 19 2.910 -10.237 -5.069
135 HE1 PHE 19 1HE PHE 19 6.682 -9.441 -2.014
136 HE2 PHE 19 2HE PHE 19 4.949 -9.136 -5.898
137 HZ PHE 19 HZ PHE 19 6.838 -8.738 -4.369
138 H HIS 20 H HIS 20 -0.818 -10.672 -2.441
139 HA HIS 20 HA HIS 20 -0.958 -8.605 -4.401
140 1HB HIS 20 2HB HIS 20 -2.240 -10.695 -4.604
141 2HB HIS 20 1HB HIS 20 -3.180 -10.257 -3.181
142 HD1 HIS 20 1HD HIS 20 -3.252 -10.063 -6.769
143 HD2 HIS 20 2HD HIS 20 -4.672 -7.714 -3.649
144 HE1 HIS 20 1HE HIS 20 -5.015 -8.588 -7.787
145 HE2 HIS 20 2HE HIS 20 -5.910 -7.225 -5.866
146 H LYS 21 H LYS 21 -2.656 -9.059 -1.295
147 HA LYS 21 HA LYS 21 -3.914 -6.551 -1.285
148 1HB LYS 21 2HB LYS 21 -3.335 -8.634 0.762
149 2HB LYS 21 1HB LYS 21 -3.810 -7.041 1.329
150 1HG LYS 21 2HG LYS 21 -5.712 -8.574 1.134
151 2HG LYS 21 1HG LYS 21 -5.875 -7.166 0.085
152 1HD LYS 21 2HD LYS 21 -4.894 -8.610 -1.760
153 2HD LYS 21 1HD LYS 21 -5.144 -9.982 -0.679
154 1HE LYS 21 2HE LYS 21 -7.007 -9.737 -2.234
155 2HE LYS 21 1HE LYS 21 -7.528 -9.470 -0.571
156 1HZ LYS 21 1HZ LYS 21 -6.721 -7.148 -2.166
157 2HZ LYS 21 2HZ LYS 21 -7.877 -7.262 -0.937
158 3HZ LYS 21 3HZ LYS 21 -8.227 -7.851 -2.483
159 H ILE 22 H ILE 22 -0.837 -7.608 0.134
160 HA ILE 22 HA ILE 22 -0.238 -5.191 1.429
161 HB ILE 22 HB ILE 22 1.969 -6.020 1.710
162 1HG1 ILE 22 2HG1 ILE 22 1.386 -8.027 -0.465
163 2HG1 ILE 22 1HG1 ILE 22 2.457 -6.638 -0.610
164 1HG2 ILE 22 1HG2 ILE 22 0.953 -7.324 3.196
165 2HG2 ILE 22 2HG2 ILE 22 1.254 -8.628 2.049
166 3HG2 ILE 22 3HG2 ILE 22 -0.302 -7.801 2.054
167 1HD1 ILE 22 1HD1 ILE 22 2.846 -9.151 0.953
168 2HD1 ILE 22 2HD1 ILE 22 3.731 -7.681 1.360
169 3HD1 ILE 22 3HD1 ILE 22 3.906 -8.402 -0.241
170 H PHE 23 H PHE 23 0.689 -6.418 -1.778
171 HA PHE 23 HA PHE 23 2.279 -4.216 -2.520
172 1HB PHE 23 2HB PHE 23 2.174 -6.471 -3.671
173 2HB PHE 23 1HB PHE 23 0.666 -5.937 -4.408
174 HD1 PHE 23 1HD PHE 23 4.170 -6.069 -4.748
175 HD2 PHE 23 2HD PHE 23 0.777 -3.689 -5.713
176 HE1 PHE 23 1HE PHE 23 5.445 -4.992 -6.555
177 HE2 PHE 23 2HE PHE 23 2.046 -2.608 -7.523
178 HZ PHE 23 HZ PHE 23 4.382 -3.259 -7.947
179 H THR 24 H THR 24 -1.041 -5.016 -3.538
180 HA THR 24 HA THR 24 -1.626 -2.631 -4.814
181 HB THR 24 HB THR 24 -2.970 -4.984 -4.227
182 HG1 THR 24 1HG THR 24 -3.125 -3.800 -6.142
183 1HG2 THR 24 1HG2 THR 24 -3.937 -4.055 -2.190
184 2HG2 THR 24 2HG2 THR 24 -5.163 -4.347 -3.425
185 3HG2 THR 24 3HG2 THR 24 -4.593 -2.706 -3.119
186 H SER 25 H SER 25 -1.861 -3.485 -1.406
187 HA SER 25 HA SER 25 -3.253 -1.267 -0.462
188 1HB SER 25 2HB SER 25 -1.249 -3.130 0.763
189 2HB SER 25 1HB SER 25 -1.792 -1.719 1.668
190 HG SER 25 HG SER 25 -2.999 -3.976 1.584
191 H SER 26 H SER 26 0.272 -1.734 -0.547
192 HA SER 26 HA SER 26 1.021 0.796 0.299
193 1HB SER 26 2HB SER 26 2.616 -1.018 0.214
194 2HB SER 26 1HB SER 26 2.467 -1.118 -1.540
195 HG SER 26 HG SER 26 3.389 0.947 -1.680
196 H ILE 27 H ILE 27 0.590 -0.356 -3.060
197 HA ILE 27 HA ILE 27 1.362 2.066 -4.265
198 HB ILE 27 HB ILE 27 0.950 -0.327 -5.291
199 1HG1 ILE 27 2HG1 ILE 27 0.945 0.684 -7.522
200 2HG1 ILE 27 1HG1 ILE 27 0.412 2.216 -6.833
201 1HG2 ILE 27 1HG2 ILE 27 -1.076 -0.437 -6.657
202 2HG2 ILE 27 2HG2 ILE 27 -1.660 1.047 -5.906
203 3HG2 ILE 27 3HG2 ILE 27 -1.446 -0.409 -4.936
204 1HD1 ILE 27 1HD1 ILE 27 2.460 2.654 -5.890
205 2HD1 ILE 27 2HD1 ILE 27 2.912 1.842 -7.389
206 3HD1 ILE 27 3HD1 ILE 27 2.931 0.954 -5.864
207 H LEU 28 H LEU 28 -1.827 0.813 -3.423
208 HA LEU 28 HA LEU 28 -3.370 2.941 -4.402
209 1HB LEU 28 2HB LEU 28 -3.729 0.702 -2.512
210 2HB LEU 28 1HB LEU 28 -4.831 2.049 -2.304
211 HG LEU 28 HG LEU 28 -5.670 1.809 -4.504
212 1HD1 LEU 28 1HD1 LEU 28 -3.628 1.291 -5.691
213 2HD1 LEU 28 2HD1 LEU 28 -4.849 0.069 -6.046
214 3HD1 LEU 28 3HD1 LEU 28 -3.548 -0.288 -4.910
215 1HD2 LEU 28 1HD2 LEU 28 -6.898 0.364 -3.234
216 2HD2 LEU 28 2HD2 LEU 28 -5.500 -0.628 -2.819
217 3HD2 LEU 28 3HD2 LEU 28 -6.236 -0.765 -4.416
218 H VAL 29 H VAL 29 -2.441 2.230 -1.095
219 HA VAL 29 HA VAL 29 -3.349 4.534 0.123
220 HB VAL 29 HB VAL 29 -1.961 3.937 2.004
221 1HG1 VAL 29 1HG1 VAL 29 -2.437 1.280 1.795
222 2HG1 VAL 29 2HG1 VAL 29 -3.513 1.921 0.554
223 3HG1 VAL 29 3HG1 VAL 29 -3.655 2.484 2.219
224 1HG2 VAL 29 1HG2 VAL 29 -0.438 2.351 -0.016
225 2HG2 VAL 29 2HG2 VAL 29 -0.424 1.884 1.682
226 3HG2 VAL 29 3HG2 VAL 29 0.161 3.476 1.200
227 H PHE 30 H PHE 30 -0.084 3.843 -1.164
228 HA PHE 30 HA PHE 30 1.089 6.275 -0.360
229 1HB PHE 30 2HB PHE 30 2.274 4.192 -1.232
230 2HB PHE 30 1HB PHE 30 1.836 4.733 -2.849
231 HD1 PHE 30 1HD PHE 30 3.615 5.824 0.225
232 HD2 PHE 30 2HD PHE 30 3.202 6.217 -3.992
233 HE1 PHE 30 1HE PHE 30 5.621 7.248 0.165
234 HE2 PHE 30 2HE PHE 30 5.207 7.641 -4.060
235 HZ PHE 30 HZ PHE 30 6.419 8.158 -1.980
236 H PHE 31 H PHE 31 -0.859 5.377 -3.078
237 HA PHE 31 HA PHE 31 -0.555 7.961 -4.381
238 1HB PHE 31 2HB PHE 31 -1.832 5.352 -5.149
239 2HB PHE 31 1HB PHE 31 -2.276 6.831 -5.994
240 HD1 PHE 31 1HD PHE 31 -0.494 4.080 -6.510
241 HD2 PHE 31 2HD PHE 31 0.169 8.279 -6.305
242 HE1 PHE 31 1HE PHE 31 1.479 3.835 -7.960
243 HE2 PHE 31 2HE PHE 31 2.142 8.042 -7.755
244 HZ PHE 31 HZ PHE 31 2.799 5.818 -8.584
245 H GLY 32 H GLY 32 -2.493 6.423 -2.098
246 1HA GLY 32 2HA GLY 32 -4.950 7.824 -2.604
247 2HA GLY 32 1HA GLY 32 -4.551 6.876 -1.166
248 H VAL 33 H VAL 33 -2.172 8.019 -0.531
249 HA VAL 33 HA VAL 33 -2.956 10.377 0.870
250 HB VAL 33 HB VAL 33 -0.379 10.389 1.326
251 1HG1 VAL 33 1HG1 VAL 33 -2.490 9.557 2.713
252 2HG1 VAL 33 2HG1 VAL 33 -0.835 9.392 3.303
253 3HG1 VAL 33 3HG1 VAL 33 -1.642 8.021 2.540
254 1HG2 VAL 33 1HG2 VAL 33 0.874 8.768 0.523
255 2HG2 VAL 33 2HG2 VAL 33 -0.501 8.242 -0.441
256 3HG2 VAL 33 3HG2 VAL 33 -0.228 7.545 1.151
257 H ALA 34 H ALA 34 -0.351 9.723 -1.476
258 HA ALA 34 HA ALA 34 0.465 12.263 -2.031
259 1HB ALA 34 1HB ALA 34 1.338 11.466 -4.047
260 2HB ALA 34 2HB ALA 34 0.007 10.333 -4.284
261 3HB ALA 34 3HB ALA 34 1.229 10.014 -3.052
262 H ALA 35 H ALA 35 -2.221 10.537 -3.587
263 HA ALA 35 HA ALA 35 -3.138 12.703 -5.149
264 1HB ALA 35 1HB ALA 35 -5.154 11.358 -5.462
265 2HB ALA 35 2HB ALA 35 -4.645 10.286 -4.158
266 3HB ALA 35 3HB ALA 35 -3.699 10.378 -5.643
267 H PHE 36 H PHE 36 -4.895 11.226 -2.422
268 HA PHE 36 HA PHE 36 -6.555 13.456 -1.994
269 1HB PHE 36 2HB PHE 36 -6.526 10.860 -1.125
270 2HB PHE 36 1HB PHE 36 -6.125 11.737 0.348
271 HD1 PHE 36 1HD PHE 36 -8.406 12.528 -2.491
272 HD2 PHE 36 2HD PHE 36 -7.994 11.811 1.683
273 HE1 PHE 36 1HE PHE 36 -10.788 13.054 -2.170
274 HE2 PHE 36 2HE PHE 36 -10.375 12.336 2.012
275 HZ PHE 36 HZ PHE 36 -11.775 12.958 0.084
276 H ALA 37 H ALA 37 -3.811 12.278 -0.033
277 HA ALA 37 HA ALA 37 -3.753 14.222 1.902
278 1HB ALA 37 1HB ALA 37 -1.145 13.341 0.764
279 2HB ALA 37 2HB ALA 37 -2.223 12.129 1.456
280 3HB ALA 37 3HB ALA 37 -1.657 13.472 2.446
281 H HIS 38 H HIS 38 -2.180 14.422 -1.321
282 HA HIS 38 HA HIS 38 -1.089 17.000 -0.837
283 1HB HIS 38 2HB HIS 38 -1.658 15.536 -3.415
284 2HB HIS 38 1HB HIS 38 -0.870 17.104 -3.349
285 HD1 HIS 38 1HD HIS 38 0.519 15.715 -0.528
286 HD2 HIS 38 2HD HIS 38 0.971 14.840 -4.564
287 HE1 HIS 38 1HE HIS 38 2.721 14.515 -0.713
288 HE2 HIS 38 2HE HIS 38 2.924 13.905 -3.149
289 H LEU 39 H LEU 39 -4.031 15.898 -2.489
290 HA LEU 39 HA LEU 39 -4.908 18.519 -3.153
291 1HB LEU 39 2HB LEU 39 -6.658 17.510 -4.178
292 2HB LEU 39 1HB LEU 39 -5.614 16.112 -4.037
293 HG LEU 39 HG LEU 39 -6.902 15.679 -1.815
294 1HD1 LEU 39 1HD1 LEU 39 -8.330 17.360 -1.366
295 2HD1 LEU 39 2HD1 LEU 39 -9.384 16.497 -2.485
296 3HD1 LEU 39 3HD1 LEU 39 -8.431 17.868 -3.051
297 1HD2 LEU 39 1HD2 LEU 39 -8.608 14.418 -3.058
298 2HD2 LEU 39 2HD2 LEU 39 -6.999 14.221 -3.753
299 3HD2 LEU 39 3HD2 LEU 39 -8.168 15.292 -4.525
300 H LEU 40 H LEU 40 -4.801 16.827 -0.233
301 HA LEU 40 HA LEU 40 -7.049 18.267 0.944
302 1HB LEU 40 2HB LEU 40 -5.244 16.082 1.955
303 2HB LEU 40 1HB LEU 40 -6.374 16.922 3.001
304 HG LEU 40 HG LEU 40 -7.303 15.545 0.497
305 1HD1 LEU 40 1HD1 LEU 40 -7.964 13.827 2.501
306 2HD1 LEU 40 2HD1 LEU 40 -6.349 14.340 2.990
307 3HD1 LEU 40 3HD1 LEU 40 -6.601 13.619 1.401
308 1HD2 LEU 40 1HD2 LEU 40 -8.637 17.238 2.022
309 2HD2 LEU 40 2HD2 LEU 40 -8.870 15.796 3.011
310 3HD2 LEU 40 3HD2 LEU 40 -9.412 15.811 1.333
311 H VAL 41 H VAL 41 -3.651 18.530 0.625
312 HA VAL 41 HA VAL 41 -3.006 19.815 3.045
313 HB VAL 41 HB VAL 41 -1.364 18.902 1.352
314 1HG1 VAL 41 1HG1 VAL 41 -1.176 21.490 -0.009
315 2HG1 VAL 41 2HG1 VAL 41 -2.612 20.549 -0.416
316 3HG1 VAL 41 3HG1 VAL 41 -1.007 19.854 -0.647
317 1HG2 VAL 41 1HG2 VAL 41 -0.236 19.975 3.004
318 2HG2 VAL 41 2HG2 VAL 41 -1.142 21.475 2.801
319 3HG2 VAL 41 3HG2 VAL 41 0.153 21.069 1.677
320 H TRP 42 H TRP 42 -4.535 20.951 0.134
321 HA TRP 42 HA TRP 42 -5.155 23.461 1.427
322 1HB TRP 42 2HB TRP 42 -2.949 23.833 0.274
323 2HB TRP 42 1HB TRP 42 -3.758 23.513 -1.256
324 HD1 TRP 42 HD TRP 42 -4.025 25.763 -2.439
325 HE1 TRP 42 1HE TRP 42 -4.834 28.114 -1.776
326 HE3 TRP 42 3HE TRP 42 -4.742 24.995 2.567
327 HZ2 TRP 42 2HZ TRP 42 -5.664 29.464 0.559
328 HZ3 TRP 42 3HZ TRP 42 -5.544 26.869 3.942
329 HH2 TRP 42 HH TRP 42 -5.995 29.058 2.958
330 H ILE 43 H ILE 43 -5.145 22.516 -2.005
331 HA ILE 43 HA ILE 43 -7.862 21.739 -2.088
332 HB ILE 43 HB ILE 43 -8.447 23.783 -3.669
333 1HG1 ILE 43 2HG1 ILE 43 -7.612 25.903 -2.647
334 2HG1 ILE 43 1HG1 ILE 43 -6.484 24.951 -1.687
335 1HG2 ILE 43 1HG2 ILE 43 -8.706 24.474 -0.807
336 2HG2 ILE 43 2HG2 ILE 43 -9.352 22.914 -1.317
337 3HG2 ILE 43 3HG2 ILE 43 -9.929 24.398 -2.075
338 1HD1 ILE 43 1HD1 ILE 43 -5.595 26.038 -3.796
339 2HD1 ILE 43 2HD1 ILE 43 -6.520 24.824 -4.679
340 3HD1 ILE 43 3HD1 ILE 43 -5.245 24.324 -3.568
341 H TRP 44 H TRP 44 -5.251 20.944 -3.089
342 HA TRP 44 HA TRP 44 -4.578 19.742 -4.921
343 1HB TRP 44 2HB TRP 44 -7.218 20.072 -5.527
344 2HB TRP 44 1HB TRP 44 -6.452 20.911 -6.873
345 HD1 TRP 44 HD TRP 44 -3.927 18.930 -7.175
346 HE1 TRP 44 1HE TRP 44 -4.307 16.597 -8.196
347 HE3 TRP 44 3HE TRP 44 -8.953 18.490 -6.350
348 HZ2 TRP 44 2HZ TRP 44 -6.452 14.808 -8.599
349 HZ3 TRP 44 3HZ TRP 44 -10.094 16.436 -7.084
350 HH2 TRP 44 HH TRP 44 -8.868 14.635 -8.184
351 H ARG 45 H ARG 45 -4.089 22.720 -4.247
352 HA ARG 45 HA ARG 45 -3.330 23.851 -6.776
353 1HB ARG 45 2HB ARG 45 -4.011 25.410 -5.131
354 2HB ARG 45 1HB ARG 45 -2.939 24.728 -3.919
355 1HG ARG 45 2HG ARG 45 -1.552 25.714 -6.294
356 2HG ARG 45 1HG ARG 45 -2.443 26.957 -5.415
357 1HD ARG 45 2HD ARG 45 -0.423 25.065 -4.216
358 2HD ARG 45 1HD ARG 45 -0.123 26.751 -4.634
359 HE ARG 45 HE ARG 45 -1.465 25.762 -2.307
360 1HH1 ARG 45 1HH1 ARG 45 -1.238 28.464 -4.504
361 2HH1 ARG 45 2HH1 ARG 45 -1.805 29.617 -3.343
362 1HH2 ARG 45 1HH2 ARG 45 -2.211 27.277 -0.778
363 2HH2 ARG 45 2HH2 ARG 45 -2.358 28.943 -1.227
364 HA PRO 46 HA PRO 46 1.169 23.080 -5.180
365 1HB PRO 46 2HB PRO 46 1.448 21.318 -3.101
366 2HB PRO 46 1HB PRO 46 1.373 23.072 -2.905
367 1HG PRO 46 2HG PRO 46 -0.782 21.031 -2.545
368 2HG PRO 46 1HG PRO 46 -0.416 22.461 -1.565
369 1HD PRO 46 2HD PRO 46 -2.430 22.422 -3.356
370 2HD PRO 46 1HD PRO 46 -1.492 23.890 -3.019
371 H TRP 47 H TRP 47 0.195 19.977 -3.833
372 HA TRP 47 HA TRP 47 0.432 17.852 -4.602
373 1HB TRP 47 2HB TRP 47 -1.302 19.091 -6.278
374 2HB TRP 47 1HB TRP 47 -0.070 18.574 -7.423
375 HD1 TRP 47 HD TRP 47 -2.660 17.162 -4.974
376 HE1 TRP 47 1HE TRP 47 -3.077 14.691 -5.560
377 HE3 TRP 47 3HE TRP 47 0.979 16.539 -8.510
378 HZ2 TRP 47 2HZ TRP 47 -2.005 12.736 -7.291
379 HZ3 TRP 47 3HZ TRP 47 1.217 14.338 -9.583
380 HH2 TRP 47 HH TRP 47 -0.245 12.476 -8.984
381 H VAL 48 H VAL 48 2.732 19.814 -4.823
382 HA VAL 48 HA VAL 48 4.657 18.062 -5.839
383 HB VAL 48 HB VAL 48 5.327 19.824 -7.754
384 1HG1 VAL 48 1HG1 VAL 48 4.623 17.210 -7.664
385 2HG1 VAL 48 2HG1 VAL 48 5.070 18.074 -9.136
386 3HG1 VAL 48 3HG1 VAL 48 3.369 17.861 -8.721
387 1HG2 VAL 48 1HG2 VAL 48 3.138 21.052 -7.285
388 2HG2 VAL 48 2HG2 VAL 48 2.344 19.692 -8.077
389 3HG2 VAL 48 3HG2 VAL 48 3.507 20.672 -8.967
390 HA PRO 49 HA PRO 49 7.299 20.859 -3.693
391 1HB PRO 49 2HB PRO 49 9.655 20.647 -5.011
392 2HB PRO 49 1HB PRO 49 9.006 19.347 -4.004
393 1HG PRO 49 2HG PRO 49 8.912 19.667 -6.980
394 2HG PRO 49 1HG PRO 49 9.259 18.215 -6.020
395 1HD PRO 49 2HD PRO 49 6.834 18.689 -7.140
396 2HD PRO 49 1HD PRO 49 7.030 17.796 -5.619
397 H GLY 50 H GLY 50 5.712 22.477 -4.982
398 1HA GLY 50 2HA GLY 50 5.829 24.773 -5.483
399 2HA GLY 50 1HA GLY 50 7.499 24.556 -5.987
400 HA PRO 51 HA PRO 51 4.699 23.174 -9.691
401 1HB PRO 51 2HB PRO 51 2.128 24.023 -9.638
402 2HB PRO 51 1HB PRO 51 2.635 22.474 -8.952
403 1HG PRO 51 2HG PRO 51 2.104 25.077 -7.570
404 2HG PRO 51 1HG PRO 51 1.635 23.436 -7.086
405 1HD PRO 51 2HD PRO 51 3.767 24.733 -6.016
406 2HD PRO 51 1HD PRO 51 3.707 22.969 -6.201
407 H ASN 52 H ASN 52 3.611 26.223 -8.200
408 HA ASN 52 HA ASN 52 3.418 27.665 -10.619
409 1HB ASN 52 2HB ASN 52 2.633 28.162 -8.088
410 2HB ASN 52 1HB ASN 52 4.081 29.163 -8.147
411 1HD2 ASN 52 1HD2 ASN 52 4.017 31.060 -9.188
412 2HD2 ASN 52 2HD2 ASN 52 2.651 31.659 -10.058
413 H GLY 53 H GLY 53 6.050 27.181 -8.328
414 1HA GLY 53 2HA GLY 53 8.221 27.243 -9.790
415 2HA GLY 53 1HA GLY 53 7.783 28.940 -9.909
416 H TYR 54 H TYR 54 7.439 30.059 -7.764
417 HA TYR 54 HA TYR 54 8.809 28.951 -5.487
418 1HB TYR 54 2HB TYR 54 10.446 30.902 -5.409
419 2HB TYR 54 1HB TYR 54 10.784 29.644 -6.594
420 HD1 TYR 54 1HD TYR 54 10.399 33.124 -6.079
421 HD2 TYR 54 2HD TYR 54 9.891 30.075 -9.002
422 HE1 TYR 54 1HE TYR 54 10.461 34.825 -7.854
423 HE2 TYR 54 2HE TYR 54 9.952 31.766 -10.786
424 HH TYR 54 HH TYR 54 9.560 34.159 -11.070
425 H SER 55 H SER 55 7.742 32.014 -6.960
426 HA SER 55 HA SER 55 5.953 32.469 -4.725
427 1HB SER 55 2HB SER 55 6.867 34.803 -4.382
428 2HB SER 55 1HB SER 55 7.913 33.503 -3.814
429 HG SER 55 HG SER 55 8.169 34.692 -6.372
Start of MODEL 10
1 1H ALA 1 1H ALA 1 -3.582 -30.981 -16.792
2 HA ALA 1 HA ALA 1 -5.392 -30.646 -14.631
3 1HB ALA 1 1HB ALA 1 -5.149 -33.183 -14.634
4 2HB ALA 1 2HB ALA 1 -4.878 -32.350 -13.103
5 3HB ALA 1 3HB ALA 1 -3.504 -32.910 -14.058
6 H GLU 2 H GLU 2 -4.451 -29.556 -12.880
7 HA GLU 2 HA GLU 2 -2.195 -28.005 -13.465
8 1HB GLU 2 2HB GLU 2 -3.312 -28.554 -10.712
9 2HB GLU 2 1HB GLU 2 -2.376 -27.154 -11.216
10 1HG GLU 2 2HG GLU 2 -4.159 -26.113 -12.075
11 2HG GLU 2 1HG GLU 2 -4.817 -27.595 -12.766
12 H VAL 3 H VAL 3 -0.382 -27.853 -11.642
13 HA VAL 3 HA VAL 3 0.561 -30.271 -10.512
14 HB VAL 3 HB VAL 3 0.993 -30.856 -12.857
15 1HG1 VAL 3 1HG1 VAL 3 3.001 -28.632 -12.987
16 2HG1 VAL 3 2HG1 VAL 3 1.335 -28.404 -13.518
17 3HG1 VAL 3 3HG1 VAL 3 2.351 -29.617 -14.298
18 1HG2 VAL 3 1HG2 VAL 3 2.473 -31.778 -11.204
19 2HG2 VAL 3 2HG2 VAL 3 3.454 -30.312 -11.203
20 3HG2 VAL 3 3HG2 VAL 3 3.418 -31.349 -12.630
21 H LYS 4 H LYS 4 2.334 -29.960 -9.194
22 HA LYS 4 HA LYS 4 4.124 -28.878 -8.218
23 1HB LYS 4 2HB LYS 4 4.304 -27.577 -10.454
24 2HB LYS 4 1HB LYS 4 3.434 -26.305 -9.607
25 1HG LYS 4 2HG LYS 4 5.249 -26.469 -7.831
26 2HG LYS 4 1HG LYS 4 6.151 -27.422 -9.010
27 1HD LYS 4 2HD LYS 4 5.567 -25.395 -10.590
28 2HD LYS 4 1HD LYS 4 5.417 -24.535 -9.056
29 1HE LYS 4 2HE LYS 4 7.649 -24.219 -9.708
30 2HE LYS 4 1HE LYS 4 7.710 -25.491 -8.488
31 1HZ LYS 4 1HZ LYS 4 7.512 -26.205 -11.336
32 2HZ LYS 4 2HZ LYS 4 8.168 -27.093 -10.055
33 3HZ LYS 4 3HZ LYS 4 9.011 -25.769 -10.684
34 H GLN 5 H GLN 5 1.102 -28.784 -7.650
35 HA GLN 5 HA GLN 5 1.289 -27.476 -5.166
36 1HB GLN 5 2HB GLN 5 -0.657 -25.801 -5.857
37 2HB GLN 5 1HB GLN 5 1.037 -25.358 -5.977
38 1HG GLN 5 2HG GLN 5 0.614 -26.463 -8.421
39 2HG GLN 5 1HG GLN 5 -0.965 -25.762 -8.078
40 1HE2 GLN 5 1HE2 GLN 5 2.349 -24.736 -7.341
41 2HE2 GLN 5 2HE2 GLN 5 2.217 -23.183 -8.084
42 H GLU 6 H GLU 6 -1.471 -27.568 -7.412
43 HA GLU 6 HA GLU 6 -3.394 -28.785 -7.417
44 1HB GLU 6 2HB GLU 6 -1.541 -30.640 -6.817
45 2HB GLU 6 1HB GLU 6 -2.494 -30.700 -5.341
46 1HG GLU 6 2HG GLU 6 -4.516 -31.086 -6.709
47 2HG GLU 6 1HG GLU 6 -3.494 -31.137 -8.145
48 H SER 7 H SER 7 -2.159 -28.997 -4.069
49 HA SER 7 HA SER 7 -4.680 -28.709 -2.860
50 1HB SER 7 2HB SER 7 -2.314 -29.469 -1.916
51 2HB SER 7 1HB SER 7 -2.244 -27.779 -1.415
52 HG SER 7 HG SER 7 -4.262 -28.119 -0.354
53 H LEU 8 H LEU 8 -2.426 -26.395 -4.095
54 HA LEU 8 HA LEU 8 -2.260 -24.085 -3.568
55 1HB LEU 8 2HB LEU 8 -4.824 -24.237 -5.112
56 2HB LEU 8 1HB LEU 8 -3.582 -23.003 -5.185
57 HG LEU 8 HG LEU 8 -2.571 -25.644 -5.896
58 1HD1 LEU 8 1HD1 LEU 8 -3.804 -26.158 -7.745
59 2HD1 LEU 8 2HD1 LEU 8 -4.373 -24.504 -7.965
60 3HD1 LEU 8 3HD1 LEU 8 -5.071 -25.515 -6.700
61 1HD2 LEU 8 1HD2 LEU 8 -2.065 -24.128 -8.009
62 2HD2 LEU 8 2HD2 LEU 8 -1.144 -23.980 -6.513
63 3HD2 LEU 8 3HD2 LEU 8 -2.444 -22.842 -6.863
64 H SER 9 H SER 9 -5.796 -24.330 -3.675
65 HA SER 9 HA SER 9 -7.232 -22.906 -2.474
66 1HB SER 9 2HB SER 9 -7.733 -25.119 -1.767
67 2HB SER 9 1HB SER 9 -6.328 -25.174 -0.703
68 HG SER 9 HG SER 9 -8.773 -23.838 -0.362
69 H GLY 10 H GLY 10 -5.289 -23.814 0.333
70 1HA GLY 10 2HA GLY 10 -5.437 -21.225 1.457
71 2HA GLY 10 1HA GLY 10 -4.405 -22.531 2.018
72 H ILE 11 H ILE 11 -3.136 -22.696 -0.704
73 HA ILE 11 HA ILE 11 -1.109 -20.682 -0.205
74 HB ILE 11 HB ILE 11 -1.171 -22.711 -2.437
75 1HG1 ILE 11 2HG1 ILE 11 -1.387 -23.893 -0.320
76 2HG1 ILE 11 1HG1 ILE 11 0.236 -24.121 -0.964
77 1HG2 ILE 11 1HG2 ILE 11 0.516 -21.273 -2.999
78 2HG2 ILE 11 2HG2 ILE 11 1.398 -22.398 -1.965
79 3HG2 ILE 11 3HG2 ILE 11 0.861 -20.846 -1.323
80 1HD1 ILE 11 1HD1 ILE 11 0.605 -23.729 1.281
81 2HD1 ILE 11 2HD1 ILE 11 -0.654 -22.497 1.378
82 3HD1 ILE 11 3HD1 ILE 11 0.868 -22.141 0.561
83 H THR 12 H THR 12 -3.529 -21.474 -2.639
84 HA THR 12 HA THR 12 -2.747 -19.563 -4.562
85 HB THR 12 HB THR 12 -5.551 -19.861 -4.727
86 HG1 THR 12 1HG THR 12 -5.982 -21.826 -4.110
87 1HG2 THR 12 1HG2 THR 12 -3.200 -20.886 -6.182
88 2HG2 THR 12 2HG2 THR 12 -4.615 -20.012 -6.770
89 3HG2 THR 12 3HG2 THR 12 -4.726 -21.738 -6.421
90 H GLU 13 H GLU 13 -5.329 -19.444 -2.109
91 HA GLU 13 HA GLU 13 -5.890 -16.684 -2.565
92 1HB GLU 13 2HB GLU 13 -7.368 -18.583 -1.504
93 2HB GLU 13 1HB GLU 13 -6.603 -18.065 -0.007
94 1HG GLU 13 2HG GLU 13 -7.389 -15.754 -0.483
95 2HG GLU 13 1HG GLU 13 -8.280 -16.396 -1.862
96 H GLY 14 H GLY 14 -3.791 -18.463 -0.404
97 1HA GLY 14 2HA GLY 14 -3.262 -16.445 1.477
98 2HA GLY 14 1HA GLY 14 -2.180 -17.771 1.079
99 H GLU 15 H GLU 15 -1.135 -17.444 -1.204
100 HA GLU 15 HA GLU 15 0.538 -15.188 -1.024
101 1HB GLU 15 2HB GLU 15 0.054 -16.844 -3.504
102 2HB GLU 15 1HB GLU 15 1.491 -15.913 -3.108
103 1HG GLU 15 2HG GLU 15 0.803 -17.937 -1.117
104 2HG GLU 15 1HG GLU 15 1.180 -18.589 -2.711
105 H ALA 16 H ALA 16 -2.284 -15.902 -3.027
106 HA ALA 16 HA ALA 16 -2.218 -13.627 -4.659
107 1HB ALA 16 1HB ALA 16 -4.593 -15.218 -3.695
108 2HB ALA 16 2HB ALA 16 -3.650 -15.520 -5.154
109 3HB ALA 16 3HB ALA 16 -4.619 -14.052 -5.017
110 H LYS 17 H LYS 17 -3.505 -14.154 -1.432
111 HA LYS 17 HA LYS 17 -4.875 -11.677 -1.214
112 1HB LYS 17 2HB LYS 17 -5.400 -13.588 0.226
113 2HB LYS 17 1HB LYS 17 -3.796 -13.504 0.941
114 1HG LYS 17 2HG LYS 17 -4.406 -11.155 1.678
115 2HG LYS 17 1HG LYS 17 -6.064 -11.559 1.227
116 1HD LYS 17 2HD LYS 17 -4.703 -13.542 2.923
117 2HD LYS 17 1HD LYS 17 -5.000 -11.979 3.684
118 1HE LYS 17 2HE LYS 17 -6.824 -13.673 3.989
119 2HE LYS 17 1HE LYS 17 -7.339 -12.139 3.289
120 1HZ LYS 17 1HZ LYS 17 -6.627 -14.425 1.564
121 2HZ LYS 17 2HZ LYS 17 -7.596 -13.087 1.204
122 3HZ LYS 17 3HZ LYS 17 -8.176 -14.295 2.234
123 H GLU 18 H GLU 18 -1.671 -12.780 -0.151
124 HA GLU 18 HA GLU 18 -0.895 -10.391 1.111
125 1HB GLU 18 2HB GLU 18 0.517 -12.785 0.046
126 2HB GLU 18 1HB GLU 18 1.481 -11.355 0.383
127 1HG GLU 18 2HG GLU 18 -0.381 -12.142 2.513
128 2HG GLU 18 1HG GLU 18 0.924 -13.282 2.184
129 H PHE 19 H PHE 19 -0.397 -11.557 -2.201
130 HA PHE 19 HA PHE 19 1.147 -9.409 -3.122
131 1HB PHE 19 2HB PHE 19 0.870 -11.550 -4.338
132 2HB PHE 19 1HB PHE 19 -0.794 -11.108 -4.704
133 HD1 PHE 19 1HD PHE 19 2.729 -10.113 -5.244
134 HD2 PHE 19 2HD PHE 19 -1.306 -9.769 -6.553
135 HE1 PHE 19 1HE PHE 19 3.491 -8.955 -7.278
136 HE2 PHE 19 2HE PHE 19 -0.551 -8.613 -8.589
137 HZ PHE 19 HZ PHE 19 1.851 -8.205 -8.954
138 H HIS 20 H HIS 20 -2.345 -9.984 -3.613
139 HA HIS 20 HA HIS 20 -2.884 -7.468 -4.725
140 1HB HIS 20 2HB HIS 20 -4.890 -8.414 -5.029
141 2HB HIS 20 1HB HIS 20 -4.349 -9.795 -4.085
142 HD1 HIS 20 1HD HIS 20 -6.657 -6.927 -4.020
143 HD2 HIS 20 2HD HIS 20 -5.144 -9.702 -1.323
144 HE1 HIS 20 1HE HIS 20 -8.149 -6.783 -2.000
145 HE2 HIS 20 2HE HIS 20 -7.158 -8.405 -0.346
146 H LYS 21 H LYS 21 -2.661 -8.562 -1.415
147 HA LYS 21 HA LYS 21 -3.909 -6.427 -0.114
148 1HB LYS 21 2HB LYS 21 -1.902 -8.485 0.632
149 2HB LYS 21 1HB LYS 21 -2.013 -7.075 1.677
150 1HG LYS 21 2HG LYS 21 -4.573 -8.343 0.956
151 2HG LYS 21 1HG LYS 21 -3.498 -9.289 1.988
152 1HD LYS 21 2HD LYS 21 -3.662 -7.827 3.734
153 2HD LYS 21 1HD LYS 21 -3.917 -6.432 2.683
154 1HE LYS 21 2HE LYS 21 -6.045 -6.591 3.393
155 2HE LYS 21 1HE LYS 21 -6.157 -7.860 2.174
156 1HZ LYS 21 1HZ LYS 21 -7.042 -8.648 4.245
157 2HZ LYS 21 2HZ LYS 21 -5.621 -8.240 5.070
158 3HZ LYS 21 3HZ LYS 21 -5.605 -9.480 3.919
159 H ILE 22 H ILE 22 -0.377 -6.863 -0.074
160 HA ILE 22 HA ILE 22 0.243 -4.237 0.512
161 HB ILE 22 HB ILE 22 1.761 -6.312 0.489
162 1HG1 ILE 22 2HG1 ILE 22 3.769 -4.892 0.305
163 2HG1 ILE 22 1HG1 ILE 22 2.792 -3.632 -0.444
164 1HG2 ILE 22 1HG2 ILE 22 1.367 -6.431 -2.118
165 2HG2 ILE 22 2HG2 ILE 22 2.890 -6.940 -1.390
166 3HG2 ILE 22 3HG2 ILE 22 2.757 -5.347 -2.136
167 1HD1 ILE 22 1HD1 ILE 22 2.124 -2.882 1.527
168 2HD1 ILE 22 2HD1 ILE 22 3.308 -3.966 2.257
169 3HD1 ILE 22 3HD1 ILE 22 1.639 -4.495 2.048
170 H PHE 23 H PHE 23 -0.697 -5.621 -2.524
171 HA PHE 23 HA PHE 23 0.418 -3.722 -4.272
172 1HB PHE 23 2HB PHE 23 -0.591 -5.855 -5.028
173 2HB PHE 23 1HB PHE 23 -2.179 -5.254 -4.567
174 HD1 PHE 23 1HD PHE 23 0.735 -4.169 -6.633
175 HD2 PHE 23 2HD PHE 23 -3.495 -4.416 -6.242
176 HE1 PHE 23 1HE PHE 23 0.474 -3.168 -8.865
177 HE2 PHE 23 2HE PHE 23 -3.764 -3.417 -8.474
178 HZ PHE 23 HZ PHE 23 -1.779 -2.792 -9.789
179 H THR 24 H THR 24 -2.962 -3.969 -3.202
180 HA THR 24 HA THR 24 -3.687 -1.375 -3.959
181 HB THR 24 HB THR 24 -5.519 -1.780 -2.151
182 HG1 THR 24 1HG THR 24 -4.474 -3.428 -1.028
183 1HG2 THR 24 1HG2 THR 24 -5.139 -3.457 -4.597
184 2HG2 THR 24 2HG2 THR 24 -6.132 -2.012 -4.393
185 3HG2 THR 24 3HG2 THR 24 -6.600 -3.525 -3.611
186 H SER 25 H SER 25 -2.358 -2.664 -0.962
187 HA SER 25 HA SER 25 -2.745 -0.543 0.751
188 1HB SER 25 2HB SER 25 -1.226 -2.888 0.776
189 2HB SER 25 1HB SER 25 -0.049 -1.598 1.021
190 HG SER 25 HG SER 25 -0.789 -1.375 2.964
191 H SER 26 H SER 26 0.394 -1.064 -0.843
192 HA SER 26 HA SER 26 1.309 1.549 -0.510
193 1HB SER 26 2HB SER 26 3.096 0.978 -1.958
194 2HB SER 26 1HB SER 26 2.640 -0.532 -1.168
195 HG SER 26 HG SER 26 1.446 -1.063 -3.040
196 H ILE 27 H ILE 27 -0.761 0.191 -2.976
197 HA ILE 27 HA ILE 27 -0.458 2.208 -4.921
198 HB ILE 27 HB ILE 27 -2.332 -0.013 -4.448
199 1HG1 ILE 27 2HG1 ILE 27 -1.914 -0.422 -6.813
200 2HG1 ILE 27 1HG1 ILE 27 -1.143 1.152 -6.973
201 1HG2 ILE 27 1HG2 ILE 27 -4.092 1.499 -4.687
202 2HG2 ILE 27 2HG2 ILE 27 -3.841 0.885 -6.321
203 3HG2 ILE 27 3HG2 ILE 27 -3.218 2.473 -5.872
204 1HD1 ILE 27 1HD1 ILE 27 0.379 0.095 -5.034
205 2HD1 ILE 27 2HD1 ILE 27 0.725 -0.075 -6.754
206 3HD1 ILE 27 3HD1 ILE 27 -0.096 -1.372 -5.887
207 H LEU 28 H LEU 28 -3.273 1.742 -2.750
208 HA LEU 28 HA LEU 28 -4.429 4.224 -3.272
209 1HB LEU 28 2HB LEU 28 -5.636 3.877 -1.105
210 2HB LEU 28 1HB LEU 28 -5.758 2.552 -2.249
211 HG LEU 28 HG LEU 28 -3.569 1.854 -0.715
212 1HD1 LEU 28 1HD1 LEU 28 -3.775 3.339 1.022
213 2HD1 LEU 28 2HD1 LEU 28 -4.731 1.979 1.612
214 3HD1 LEU 28 3HD1 LEU 28 -5.535 3.386 0.917
215 1HD2 LEU 28 1HD2 LEU 28 -4.875 0.039 -0.046
216 2HD2 LEU 28 2HD2 LEU 28 -5.588 0.536 -1.580
217 3HD2 LEU 28 3HD2 LEU 28 -6.363 0.985 -0.061
218 H VAL 29 H VAL 29 -1.953 3.314 -0.944
219 HA VAL 29 HA VAL 29 -1.978 5.667 0.563
220 HB VAL 29 HB VAL 29 -0.597 3.176 0.450
221 1HG1 VAL 29 1HG1 VAL 29 1.217 5.543 0.721
222 2HG1 VAL 29 2HG1 VAL 29 1.276 4.285 -0.514
223 3HG1 VAL 29 3HG1 VAL 29 1.633 3.889 1.168
224 1HG2 VAL 29 1HG2 VAL 29 0.070 4.111 2.817
225 2HG2 VAL 29 2HG2 VAL 29 -1.569 3.581 2.436
226 3HG2 VAL 29 3HG2 VAL 29 -1.169 5.299 2.411
227 H PHE 30 H PHE 30 -0.117 4.547 -2.238
228 HA PHE 30 HA PHE 30 1.629 6.743 -2.461
229 1HB PHE 30 2HB PHE 30 1.833 4.515 -3.633
230 2HB PHE 30 1HB PHE 30 0.561 5.047 -4.728
231 HD1 PHE 30 1HD PHE 30 0.991 7.282 -5.974
232 HD2 PHE 30 2HD PHE 30 4.043 4.947 -4.146
233 HE1 PHE 30 1HE PHE 30 2.673 8.371 -7.401
234 HE2 PHE 30 2HE PHE 30 5.731 6.032 -5.568
235 HZ PHE 30 HZ PHE 30 5.048 7.747 -7.198
236 H PHE 31 H PHE 31 -1.607 6.162 -3.574
237 HA PHE 31 HA PHE 31 -1.749 8.691 -5.010
238 1HB PHE 31 2HB PHE 31 -2.818 6.347 -5.687
239 2HB PHE 31 1HB PHE 31 -4.130 6.922 -4.664
240 HD1 PHE 31 1HD PHE 31 -5.781 8.234 -5.589
241 HD2 PHE 31 2HD PHE 31 -1.982 8.032 -7.497
242 HE1 PHE 31 1HE PHE 31 -6.653 9.574 -7.459
243 HE2 PHE 31 2HE PHE 31 -2.847 9.372 -9.371
244 HZ PHE 31 HZ PHE 31 -5.186 10.144 -9.353
245 H GLY 32 H GLY 32 -2.318 7.389 -1.953
246 1HA GLY 32 2HA GLY 32 -4.471 9.106 -1.142
247 2HA GLY 32 1HA GLY 32 -3.453 8.117 -0.088
248 H VAL 33 H VAL 33 -1.013 8.945 -0.953
249 HA VAL 33 HA VAL 33 -0.637 11.393 0.472
250 HB VAL 33 HB VAL 33 1.753 11.064 -0.485
251 1HG1 VAL 33 1HG1 VAL 33 0.447 9.292 1.539
252 2HG1 VAL 33 2HG1 VAL 33 1.384 10.761 1.812
253 3HG1 VAL 33 3HG1 VAL 33 2.189 9.289 1.264
254 1HG2 VAL 33 1HG2 VAL 33 1.561 8.249 -0.608
255 2HG2 VAL 33 2HG2 VAL 33 2.158 9.377 -1.824
256 3HG2 VAL 33 3HG2 VAL 33 0.453 8.946 -1.785
257 H ALA 34 H ALA 34 0.166 10.368 -2.857
258 HA ALA 34 HA ALA 34 0.861 12.765 -3.951
259 1HB ALA 34 1HB ALA 34 -0.986 10.899 -5.419
260 2HB ALA 34 2HB ALA 34 0.690 10.469 -5.078
261 3HB ALA 34 3HB ALA 34 0.326 11.884 -6.066
262 H ALA 35 H ALA 35 -2.403 11.500 -3.455
263 HA ALA 35 HA ALA 35 -3.808 13.703 -4.529
264 1HB ALA 35 1HB ALA 35 -5.737 12.769 -3.268
265 2HB ALA 35 2HB ALA 35 -4.635 11.614 -2.518
266 3HB ALA 35 3HB ALA 35 -4.898 11.577 -4.261
267 H PHE 36 H PHE 36 -3.762 12.762 -1.091
268 HA PHE 36 HA PHE 36 -4.484 15.327 -0.165
269 1HB PHE 36 2HB PHE 36 -3.586 12.785 1.076
270 2HB PHE 36 1HB PHE 36 -3.414 14.243 2.046
271 HD1 PHE 36 1HD PHE 36 -6.018 12.935 -0.290
272 HD2 PHE 36 2HD PHE 36 -5.100 14.465 3.573
273 HE1 PHE 36 1HE PHE 36 -8.396 12.800 0.324
274 HE2 PHE 36 2HE PHE 36 -7.477 14.332 4.195
275 HZ PHE 36 HZ PHE 36 -9.129 13.498 2.569
276 H ALA 37 H ALA 37 -1.349 13.623 0.040
277 HA ALA 37 HA ALA 37 0.193 15.532 1.231
278 1HB ALA 37 1HB ALA 37 2.046 14.399 0.446
279 2HB ALA 37 2HB ALA 37 1.313 14.071 -1.124
280 3HB ALA 37 3HB ALA 37 0.787 13.173 0.300
281 H HIS 38 H HIS 38 -0.508 15.358 -2.288
282 HA HIS 38 HA HIS 38 1.002 17.709 -2.865
283 1HB HIS 38 2HB HIS 38 -1.140 16.307 -4.472
284 2HB HIS 38 1HB HIS 38 -0.181 17.653 -5.067
285 HD1 HIS 38 1HD HIS 38 -0.039 15.001 -6.541
286 HD2 HIS 38 2HD HIS 38 2.543 16.044 -3.457
287 HE1 HIS 38 1HE HIS 38 2.015 13.590 -6.878
288 HE2 HIS 38 2HE HIS 38 3.600 14.308 -5.057
289 H LEU 39 H LEU 39 -2.338 17.080 -2.018
290 HA LEU 39 HA LEU 39 -3.347 19.648 -2.687
291 1HB LEU 39 2HB LEU 39 -4.467 17.284 -1.937
292 2HB LEU 39 1HB LEU 39 -4.641 18.215 -0.462
293 HG LEU 39 HG LEU 39 -5.753 20.009 -1.858
294 1HD1 LEU 39 1HD1 LEU 39 -5.255 17.949 -3.918
295 2HD1 LEU 39 2HD1 LEU 39 -5.344 19.704 -4.062
296 3HD1 LEU 39 3HD1 LEU 39 -6.825 18.751 -3.957
297 1HD2 LEU 39 1HD2 LEU 39 -6.800 17.957 -0.517
298 2HD2 LEU 39 2HD2 LEU 39 -7.393 17.559 -2.130
299 3HD2 LEU 39 3HD2 LEU 39 -7.790 19.117 -1.404
300 H LEU 40 H LEU 40 -1.675 18.351 0.076
301 HA LEU 40 HA LEU 40 -2.318 20.562 1.807
302 1HB LEU 40 2HB LEU 40 -0.625 18.114 2.000
303 2HB LEU 40 1HB LEU 40 -0.314 19.434 3.112
304 HG LEU 40 HG LEU 40 -2.754 19.316 3.767
305 1HD1 LEU 40 1HD1 LEU 40 -3.422 18.046 1.710
306 2HD1 LEU 40 2HD1 LEU 40 -4.023 17.382 3.229
307 3HD1 LEU 40 3HD1 LEU 40 -2.650 16.628 2.419
308 1HD2 LEU 40 1HD2 LEU 40 -0.802 17.100 4.287
309 2HD2 LEU 40 2HD2 LEU 40 -2.384 17.134 5.066
310 3HD2 LEU 40 3HD2 LEU 40 -1.245 18.456 5.325
311 H VAL 41 H VAL 41 0.531 19.475 -0.017
312 HA VAL 41 HA VAL 41 2.202 21.615 0.803
313 HB VAL 41 HB VAL 41 3.662 20.962 -1.069
314 1HG1 VAL 41 1HG1 VAL 41 4.265 18.826 -0.238
315 2HG1 VAL 41 2HG1 VAL 41 2.622 18.501 0.316
316 3HG1 VAL 41 3HG1 VAL 41 3.600 19.726 1.125
317 1HG2 VAL 41 1HG2 VAL 41 2.319 20.384 -2.856
318 2HG2 VAL 41 2HG2 VAL 41 1.250 19.389 -1.867
319 3HG2 VAL 41 3HG2 VAL 41 2.860 18.803 -2.287
320 H TRP 42 H TRP 42 -0.171 21.247 -1.721
321 HA TRP 42 HA TRP 42 0.623 23.378 -3.383
322 1HB TRP 42 2HB TRP 42 -1.060 21.554 -3.917
323 2HB TRP 42 1HB TRP 42 -2.222 22.460 -2.954
324 HD1 TRP 42 HD TRP 42 0.168 24.457 -5.118
325 HE1 TRP 42 1HE TRP 42 -1.138 25.502 -7.073
326 HE3 TRP 42 3HE TRP 42 -4.291 22.033 -4.501
327 HZ2 TRP 42 2HZ TRP 42 -3.719 25.321 -8.205
328 HZ3 TRP 42 3HZ TRP 42 -6.126 22.527 -6.063
329 HH2 TRP 42 HH TRP 42 -5.845 24.137 -7.876
330 H ILE 43 H ILE 43 -1.088 23.279 -0.361
331 HA ILE 43 HA ILE 43 -1.443 26.201 -0.507
332 HB ILE 43 HB ILE 43 -3.309 25.898 1.155
333 1HG1 ILE 43 2HG1 ILE 43 -4.404 23.578 0.988
334 2HG1 ILE 43 1HG1 ILE 43 -2.838 23.014 0.413
335 1HG2 ILE 43 1HG2 ILE 43 -3.911 24.504 -1.433
336 2HG2 ILE 43 2HG2 ILE 43 -3.528 26.225 -1.366
337 3HG2 ILE 43 3HG2 ILE 43 -4.935 25.601 -0.505
338 1HD1 ILE 43 1HD1 ILE 43 -3.097 24.507 2.993
339 2HD1 ILE 43 2HD1 ILE 43 -1.806 23.432 2.454
340 3HD1 ILE 43 3HD1 ILE 43 -3.380 22.769 2.896
341 H TRP 44 H TRP 44 0.869 24.722 0.428
342 HA TRP 44 HA TRP 44 1.317 26.101 2.864
343 1HB TRP 44 2HB TRP 44 -0.093 23.964 3.458
344 2HB TRP 44 1HB TRP 44 1.448 23.135 3.261
345 HD1 TRP 44 HD TRP 44 2.780 22.918 5.427
346 HE1 TRP 44 1HE TRP 44 2.901 24.189 7.661
347 HE3 TRP 44 3HE TRP 44 -0.527 26.680 4.400
348 HZ2 TRP 44 2HZ TRP 44 1.747 26.484 8.833
349 HZ3 TRP 44 3HZ TRP 44 -0.962 28.373 6.133
350 HH2 TRP 44 HH TRP 44 0.152 28.275 8.303
351 H ARG 45 H ARG 45 2.682 26.241 0.574
352 HA ARG 45 HA ARG 45 4.778 26.189 -0.299
353 1HB ARG 45 2HB ARG 45 5.229 25.528 2.564
354 2HB ARG 45 1HB ARG 45 6.555 25.218 1.451
355 1HG ARG 45 2HG ARG 45 5.200 27.870 1.387
356 2HG ARG 45 1HG ARG 45 6.349 27.513 2.678
357 1HD ARG 45 2HD ARG 45 7.227 26.824 -0.050
358 2HD ARG 45 1HD ARG 45 7.037 28.545 0.279
359 HE ARG 45 HE ARG 45 9.136 26.887 1.178
360 1HH1 ARG 45 1HH1 ARG 45 7.077 29.490 2.258
361 2HH1 ARG 45 2HH1 ARG 45 8.238 30.105 3.388
362 1HH2 ARG 45 1HH2 ARG 45 10.662 27.695 2.663
363 2HH2 ARG 45 2HH2 ARG 45 10.272 29.086 3.617
364 HA PRO 46 HA PRO 46 5.175 22.105 -1.945
365 1HB PRO 46 2HB PRO 46 7.870 22.754 -2.871
366 2HB PRO 46 1HB PRO 46 6.401 22.489 -3.812
367 1HG PRO 46 2HG PRO 46 7.558 24.922 -3.572
368 2HG PRO 46 1HG PRO 46 5.808 24.708 -3.759
369 1HD PRO 46 2HD PRO 46 7.397 25.257 -1.280
370 2HD PRO 46 1HD PRO 46 5.836 25.934 -1.793
371 H TRP 47 H TRP 47 6.192 20.126 -1.596
372 HA TRP 47 HA TRP 47 7.279 18.538 -0.384
373 1HB TRP 47 2HB TRP 47 9.204 19.664 -1.571
374 2HB TRP 47 1HB TRP 47 9.479 20.588 -0.098
375 HD1 TRP 47 HD TRP 47 8.891 16.783 -0.665
376 HE1 TRP 47 1HE TRP 47 10.761 15.511 0.563
377 HE3 TRP 47 3HE TRP 47 11.535 20.770 1.139
378 HZ2 TRP 47 2HZ TRP 47 13.054 16.117 2.095
379 HZ3 TRP 47 3HZ TRP 47 13.554 20.338 2.477
380 HH2 TRP 47 HH TRP 47 14.297 18.059 2.944
381 H VAL 48 H VAL 48 5.510 20.293 1.054
382 HA VAL 48 HA VAL 48 6.237 19.579 3.710
383 HB VAL 48 HB VAL 48 6.013 22.089 4.479
384 1HG1 VAL 48 1HG1 VAL 48 8.195 21.962 5.059
385 2HG1 VAL 48 2HG1 VAL 48 8.719 21.531 3.431
386 3HG1 VAL 48 3HG1 VAL 48 8.008 20.306 4.482
387 1HG2 VAL 48 1HG2 VAL 48 6.037 22.494 1.759
388 2HG2 VAL 48 2HG2 VAL 48 7.706 22.825 2.222
389 3HG2 VAL 48 3HG2 VAL 48 6.386 23.711 2.986
390 HA PRO 49 HA PRO 49 1.692 19.824 2.769
391 1HB PRO 49 2HB PRO 49 1.819 17.777 4.927
392 2HB PRO 49 1HB PRO 49 0.912 17.760 3.411
393 1HG PRO 49 2HG PRO 49 3.103 16.275 3.697
394 2HG PRO 49 1HG PRO 49 2.753 17.095 2.164
395 1HD PRO 49 2HD PRO 49 4.712 17.821 4.300
396 2HD PRO 49 1HD PRO 49 4.860 17.962 2.536
397 H GLY 50 H GLY 50 2.944 19.171 6.054
398 1HA GLY 50 2HA GLY 50 2.730 20.402 7.996
399 2HA GLY 50 1HA GLY 50 2.054 21.712 7.038
400 HA PRO 51 HA PRO 51 -1.689 18.614 7.853
401 1HB PRO 51 2HB PRO 51 -0.440 17.167 10.141
402 2HB PRO 51 1HB PRO 51 -1.553 16.571 8.906
403 1HG PRO 51 2HG PRO 51 1.035 15.963 8.802
404 2HG PRO 51 1HG PRO 51 0.125 16.323 7.323
405 1HD PRO 51 2HD PRO 51 2.081 18.019 8.809
406 2HD PRO 51 1HD PRO 51 1.795 17.890 7.062
407 H ASN 52 H ASN 52 -3.047 18.336 10.001
408 HA ASN 52 HA ASN 52 -2.353 20.489 11.878
409 1HB ASN 52 2HB ASN 52 -4.794 20.220 10.192
410 2HB ASN 52 1HB ASN 52 -5.000 20.822 11.835
411 1HD2 ASN 52 1HD2 ASN 52 -5.271 22.103 9.164
412 2HD2 ASN 52 2HD2 ASN 52 -4.277 23.513 9.244
413 H GLY 53 H GLY 53 -4.574 17.778 11.248
414 1HA GLY 53 2HA GLY 53 -4.886 15.937 12.686
415 2HA GLY 53 1HA GLY 53 -4.136 16.853 13.984
416 H TYR 54 H TYR 54 -7.072 16.618 12.018
417 HA TYR 54 HA TYR 54 -8.704 17.066 14.348
418 1HB TYR 54 2HB TYR 54 -9.891 19.017 13.479
419 2HB TYR 54 1HB TYR 54 -8.180 19.379 13.680
420 HD1 TYR 54 1HD TYR 54 -6.694 19.325 11.616
421 HD2 TYR 54 2HD TYR 54 -10.943 19.297 11.400
422 HE1 TYR 54 1HE TYR 54 -6.574 20.062 9.274
423 HE2 TYR 54 2HE TYR 54 -10.835 20.035 9.057
424 HH TYR 54 HH TYR 54 -9.218 19.964 7.177
425 H SER 55 H SER 55 -8.288 14.980 12.370
426 HA SER 55 HA SER 55 -10.688 14.992 10.735
427 1HB SER 55 2HB SER 55 -8.425 14.065 9.987
428 2HB SER 55 1HB SER 55 -8.751 12.700 11.056
429 HG SER 55 HG SER 55 -10.478 13.557 8.974