NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
24370 |
2k28   |
15695 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 24.850 -0.872 9.135
2 H2 GLY 1 2HT GLY 1 24.822 -2.495 8.662
3 H3 GLY 1 3HT GLY 1 23.478 -1.810 9.421
4 HA2 GLY 1 1HA GLY 1 23.088 -0.355 7.561
5 HA3 GLY 1 2HA GLY 1 24.527 -0.993 6.776
6 H SER 2 H SER 2 21.555 -1.014 6.075
7 HA SER 2 HA SER 2 20.878 -3.840 5.967
8 HG SER 2 HG SER 2 18.396 -2.797 6.829
9 HB2 SER 2 2HB SER 2 19.517 -1.436 4.673
10 HB3 SER 2 1HB SER 2 18.853 -3.069 4.756
11 H GLU 3 H GLU 3 21.484 -5.202 4.410
12 HA GLU 3 HA GLU 3 23.079 -4.589 2.167
13 HB2 GLU 3 2HB GLU 3 22.579 -6.946 1.452
14 HB3 GLU 3 1HB GLU 3 23.082 -6.822 3.136
15 HG2 GLU 3 2HG GLU 3 20.755 -7.037 3.882
16 HG3 GLU 3 1HG GLU 3 20.196 -7.081 2.211
17 H HIS 4 H HIS 4 19.584 -4.955 2.534
18 HA HIS 4 HA HIS 4 19.158 -3.412 0.090
19 HD1 HIS 4 1HD HIS 4 18.985 -7.717 1.048
20 HD2 HIS 4 2HD HIS 4 15.306 -5.775 1.132
21 HE1 HIS 4 1HE HIS 4 17.471 -9.204 2.399
22 HE2 HIS 4 2HE HIS 4 15.293 -7.939 2.557
23 HB2 HIS 4 2HB HIS 4 17.288 -4.853 -0.662
24 HB3 HIS 4 1HB HIS 4 18.792 -5.757 -0.637
25 H VAL 5 H VAL 5 17.759 -1.800 0.475
26 HA VAL 5 HA VAL 5 16.527 -1.555 3.117
27 HB VAL 5 HB VAL 5 16.702 0.446 0.818
28 HG11 VAL 5 1HG1 VAL 5 14.808 0.961 2.306
29 HG12 VAL 5 2HG1 VAL 5 16.085 2.161 2.502
30 HG13 VAL 5 3HG1 VAL 5 15.873 0.896 3.716
31 HG21 VAL 5 3HG2 VAL 5 18.502 1.537 2.128
32 HG22 VAL 5 1HG2 VAL 5 18.941 -0.117 1.680
33 HG23 VAL 5 2HG2 VAL 5 18.416 0.243 3.327
34 H PHE 6 H PHE 6 14.514 -2.388 3.339
35 HA PHE 6 HA PHE 6 12.552 -2.085 1.146
36 HD1 PHE 6 2HD PHE 6 14.517 -4.392 3.919
37 HD2 PHE 6 1HD PHE 6 10.276 -4.088 4.431
38 HE1 PHE 6 2HE PHE 6 14.731 -5.159 6.248
39 HE2 PHE 6 1HE PHE 6 10.506 -4.857 6.757
40 HZ PHE 6 HZ PHE 6 12.730 -5.395 7.664
41 HB2 PHE 6 2HB PHE 6 11.191 -3.796 2.264
42 HB3 PHE 6 1HB PHE 6 12.796 -4.408 1.915
43 H ALA 7 H ALA 7 11.264 -0.421 1.312
44 HA ALA 7 HA ALA 7 10.367 0.676 3.864
45 HB1 ALA 7 1HB ALA 7 11.148 2.959 3.274
46 HB2 ALA 7 2HB ALA 7 11.959 2.315 1.842
47 HB3 ALA 7 3HB ALA 7 12.501 1.842 3.454
48 H VAL 8 H VAL 8 8.365 1.480 3.679
49 HA VAL 8 HA VAL 8 6.919 0.993 1.217
50 HB VAL 8 HB VAL 8 5.848 2.106 3.838
51 HG11 VAL 8 1HG1 VAL 8 4.442 0.685 1.548
52 HG12 VAL 8 2HG1 VAL 8 4.324 2.403 1.938
53 HG13 VAL 8 3HG1 VAL 8 3.680 1.200 3.055
54 HG21 VAL 8 3HG2 VAL 8 6.975 -0.036 4.298
55 HG22 VAL 8 1HG2 VAL 8 6.029 -0.820 3.027
56 HG23 VAL 8 2HG2 VAL 8 5.226 -0.195 4.471
57 H GLU 9 H GLU 9 5.707 2.569 0.088
58 HA GLU 9 HA GLU 9 6.758 5.328 0.261
59 HB2 GLU 9 2HB GLU 9 7.434 4.081 -1.775
60 HB3 GLU 9 1HB GLU 9 5.749 3.795 -2.180
61 HG2 GLU 9 2HG GLU 9 5.416 6.228 -2.495
62 HG3 GLU 9 1HG GLU 9 7.095 6.516 -2.064
63 H SER 10 H SER 10 3.816 3.477 -0.780
64 HA SER 10 HA SER 10 1.934 5.298 0.390
65 HG SER 10 HG SER 10 0.911 7.476 -1.612
66 HB2 SER 10 2HB SER 10 2.843 6.748 -1.436
67 HB3 SER 10 1HB SER 10 2.415 5.528 -2.627
68 H ILE 11 H ILE 11 -0.338 4.721 -0.162
69 HA ILE 11 HA ILE 11 -0.763 1.968 -0.999
70 HB ILE 11 HB ILE 11 -2.697 4.142 -0.074
71 HG12 ILE 11 2HG1 ILE 11 -2.038 1.362 0.983
72 HG13 ILE 11 1HG1 ILE 11 -1.492 2.881 1.675
73 HG21 ILE 11 1HG2 ILE 11 -4.609 2.592 -0.373
74 HG22 ILE 11 2HG2 ILE 11 -3.551 1.436 -1.182
75 HG23 ILE 11 3HG2 ILE 11 -3.873 3.003 -1.926
76 HD11 ILE 11 3HD1 ILE 11 -3.813 3.415 2.280
77 HD12 ILE 11 1HD1 ILE 11 -3.259 1.902 2.992
78 HD13 ILE 11 2HD1 ILE 11 -4.336 1.872 1.598
79 H GLU 12 H GLU 12 -0.869 1.382 -3.022
80 HA GLU 12 HA GLU 12 -1.175 3.228 -5.245
81 HB2 GLU 12 2HB GLU 12 -0.824 0.198 -5.107
82 HB3 GLU 12 1HB GLU 12 -0.927 1.098 -6.615
83 HG2 GLU 12 2HG GLU 12 1.205 1.622 -4.537
84 HG3 GLU 12 1HG GLU 12 1.384 0.436 -5.826
85 H LYS 13 H LYS 13 -2.806 0.363 -3.951
86 HA LYS 13 HA LYS 13 -5.392 1.127 -5.107
87 HB2 LYS 13 2HB LYS 13 -4.117 -1.618 -5.495
88 HB3 LYS 13 1HB LYS 13 -5.733 -1.142 -6.020
89 HG2 LYS 13 2HG LYS 13 -4.634 0.552 -7.545
90 HG3 LYS 13 1HG LYS 13 -3.077 -0.156 -7.097
91 HD2 LYS 13 2HD LYS 13 -3.939 -2.374 -7.956
92 HD3 LYS 13 1HD LYS 13 -5.373 -1.522 -8.548
93 HE2 LYS 13 2HE LYS 13 -2.496 -1.121 -9.425
94 HE3 LYS 13 1HE LYS 13 -3.831 -1.757 -10.387
95 HZ1 LYS 13 3HZ LYS 13 -3.480 1.026 -9.413
96 HZ2 LYS 13 1HZ LYS 13 -4.908 0.463 -10.124
97 HZ3 LYS 13 2HZ LYS 13 -3.475 0.488 -11.012
98 H LYS 14 H LYS 14 -7.109 -0.490 -4.316
99 HA LYS 14 HA LYS 14 -6.594 -1.723 -1.719
100 HB2 LYS 14 2HB LYS 14 -8.057 -0.354 -0.438
101 HB3 LYS 14 1HB LYS 14 -7.075 0.776 -1.340
102 HG2 LYS 14 2HG LYS 14 -9.075 1.802 -1.724
103 HG3 LYS 14 1HG LYS 14 -9.199 0.616 -3.017
104 HD2 LYS 14 2HD LYS 14 -11.293 0.561 -1.875
105 HD3 LYS 14 1HD LYS 14 -10.432 -0.892 -1.382
106 HE2 LYS 14 2HE LYS 14 -11.494 0.017 0.558
107 HE3 LYS 14 1HE LYS 14 -9.762 0.319 0.718
108 HZ1 LYS 14 3HZ LYS 14 -11.722 2.307 -0.302
109 HZ2 LYS 14 1HZ LYS 14 -10.085 2.568 0.013
110 HZ3 LYS 14 2HZ LYS 14 -11.150 2.261 1.289
111 H ARG 15 H ARG 15 -8.492 -2.987 -0.943
112 HA ARG 15 HA ARG 15 -10.962 -2.896 -2.396
113 HE ARG 15 HE ARG 15 -7.182 -7.422 -1.394
114 HB2 ARG 15 2HB ARG 15 -11.120 -5.180 -3.176
115 HB3 ARG 15 1HB ARG 15 -9.688 -4.456 -3.891
116 HG2 ARG 15 2HG ARG 15 -9.413 -6.091 -1.377
117 HG3 ARG 15 1HG ARG 15 -9.635 -6.916 -2.917
118 HD2 ARG 15 2HD ARG 15 -7.600 -5.691 -3.764
119 HD3 ARG 15 1HD ARG 15 -7.366 -5.058 -2.127
120 HH11 ARG 15 1HH1 ARG 15 -6.532 -6.738 -4.778
121 HH12 ARG 15 2HH1 ARG 15 -5.482 -8.104 -4.969
122 HH21 ARG 15 1HH2 ARG 15 -5.836 -9.217 -1.655
123 HH22 ARG 15 2HH2 ARG 15 -5.084 -9.516 -3.189
124 H ILE 16 H ILE 16 -12.674 -3.710 -1.254
125 HA ILE 16 HA ILE 16 -12.174 -5.071 1.345
126 HB ILE 16 HB ILE 16 -14.376 -3.156 0.473
127 HG12 ILE 16 2HG1 ILE 16 -12.624 -3.258 2.949
128 HG13 ILE 16 1HG1 ILE 16 -12.310 -2.245 1.538
129 HG21 ILE 16 1HG2 ILE 16 -15.646 -3.657 2.555
130 HG22 ILE 16 2HG2 ILE 16 -14.555 -5.002 2.886
131 HG23 ILE 16 3HG2 ILE 16 -15.593 -5.044 1.462
132 HD11 ILE 16 3HD1 ILE 16 -14.645 -2.008 3.438
133 HD12 ILE 16 1HD1 ILE 16 -14.397 -1.008 2.000
134 HD13 ILE 16 2HD1 ILE 16 -13.247 -0.941 3.334
135 H ARG 17 H ARG 17 -12.894 -7.101 1.528
136 HA ARG 17 HA ARG 17 -15.276 -8.075 0.301
137 HE ARG 17 HE ARG 17 -15.946 -11.493 -3.139
138 HB2 ARG 17 2HB ARG 17 -13.531 -8.187 -1.603
139 HB3 ARG 17 1HB ARG 17 -12.717 -9.437 -0.667
140 HG2 ARG 17 2HG ARG 17 -14.709 -10.878 -0.822
141 HG3 ARG 17 1HG ARG 17 -15.582 -9.606 -1.680
142 HD2 ARG 17 2HD ARG 17 -13.757 -9.750 -3.474
143 HD3 ARG 17 1HD ARG 17 -13.203 -11.219 -2.657
144 HH11 ARG 17 1HH1 ARG 17 -12.980 -11.366 -5.018
145 HH12 ARG 17 2HH1 ARG 17 -13.669 -12.167 -6.388
146 HH21 ARG 17 1HH2 ARG 17 -16.845 -12.531 -4.942
147 HH22 ARG 17 2HH2 ARG 17 -15.869 -12.839 -6.339
148 H LYS 18 H LYS 18 -16.089 -9.744 1.509
149 HA LYS 18 HA LYS 18 -16.351 -11.378 3.052
150 HB2 LYS 18 2HB LYS 18 -13.410 -11.981 2.520
151 HB3 LYS 18 1HB LYS 18 -14.544 -13.062 3.329
152 HG2 LYS 18 2HG LYS 18 -15.857 -13.266 1.247
153 HG3 LYS 18 1HG LYS 18 -14.759 -12.140 0.438
154 HD2 LYS 18 2HD LYS 18 -12.882 -13.773 0.865
155 HD3 LYS 18 1HD LYS 18 -14.074 -14.908 1.509
156 HE2 LYS 18 2HE LYS 18 -14.048 -13.790 -1.316
157 HE3 LYS 18 1HE LYS 18 -13.493 -15.397 -0.847
158 HZ1 LYS 18 3HZ LYS 18 -16.273 -14.367 -0.601
159 HZ2 LYS 18 1HZ LYS 18 -15.754 -15.899 -0.105
160 HZ3 LYS 18 2HZ LYS 18 -15.719 -15.485 -1.739
161 H GLY 19 H GLY 19 -15.638 -8.723 3.981
162 HA2 GLY 19 2HA GLY 19 -15.296 -7.646 5.982
163 HA3 GLY 19 1HA GLY 19 -15.190 -9.216 6.762
164 H ARG 20 H ARG 20 -13.129 -8.272 4.115
165 HA ARG 20 HA ARG 20 -10.766 -7.991 5.854
166 HE ARG 20 HE ARG 20 -8.128 -10.474 5.895
167 HB2 ARG 20 2HB ARG 20 -11.025 -9.894 3.480
168 HB3 ARG 20 1HB ARG 20 -9.493 -9.455 4.226
169 HG2 ARG 20 2HG ARG 20 -11.758 -10.987 5.556
170 HG3 ARG 20 1HG ARG 20 -10.231 -11.658 4.969
171 HD2 ARG 20 2HD ARG 20 -10.612 -9.703 7.265
172 HD3 ARG 20 1HD ARG 20 -10.088 -11.386 7.378
173 HH11 ARG 20 1HH1 ARG 20 -9.555 -8.855 8.679
174 HH12 ARG 20 2HH1 ARG 20 -8.137 -7.907 8.993
175 HH21 ARG 20 1HH2 ARG 20 -6.300 -9.223 6.328
176 HH22 ARG 20 2HH2 ARG 20 -6.304 -8.116 7.663
177 H VAL 21 H VAL 21 -9.796 -6.133 5.301
178 HA VAL 21 HA VAL 21 -9.996 -5.173 2.506
179 HB VAL 21 HB VAL 21 -10.999 -3.643 4.166
180 HG11 VAL 21 1HG1 VAL 21 -9.637 -2.378 5.782
181 HG12 VAL 21 2HG1 VAL 21 -8.226 -3.351 5.361
182 HG13 VAL 21 3HG1 VAL 21 -9.618 -4.109 6.135
183 HG21 VAL 21 3HG2 VAL 21 -10.103 -2.736 2.081
184 HG22 VAL 21 1HG2 VAL 21 -8.516 -2.521 2.829
185 HG23 VAL 21 2HG2 VAL 21 -9.895 -1.573 3.393
186 H GLU 22 H GLU 22 -8.193 -4.764 1.363
187 HA GLU 22 HA GLU 22 -5.552 -5.455 2.503
188 HB2 GLU 22 2HB GLU 22 -6.766 -7.409 1.342
189 HB3 GLU 22 1HB GLU 22 -6.649 -6.487 -0.144
190 HG2 GLU 22 2HG GLU 22 -4.870 -7.959 -0.326
191 HG3 GLU 22 1HG GLU 22 -4.083 -6.506 0.285
192 H TYR 23 H TYR 23 -3.827 -4.345 1.508
193 HA TYR 23 HA TYR 23 -4.572 -2.166 -0.367
194 HD1 TYR 23 1HD TYR 23 -5.882 -0.499 0.290
195 HD2 TYR 23 2HD TYR 23 -4.284 -1.424 4.135
196 HE1 TYR 23 1HE TYR 23 -7.926 0.365 1.348
197 HE2 TYR 23 2HE TYR 23 -6.320 -0.559 5.206
198 HH TYR 23 HH TYR 23 -8.154 1.011 4.672
199 HB2 TYR 23 2HB TYR 23 -2.988 -1.914 2.221
200 HB3 TYR 23 1HB TYR 23 -3.150 -0.629 1.027
201 H LEU 24 H LEU 24 -3.223 -1.971 -2.038
202 HA LEU 24 HA LEU 24 -0.859 -3.597 -2.326
203 HG LEU 24 HG LEU 24 0.415 -2.151 -4.800
204 HB2 LEU 24 2HB LEU 24 -2.456 -2.976 -4.207
205 HB3 LEU 24 1HB LEU 24 -1.849 -1.332 -4.125
206 HD11 LEU 24 1HD1 LEU 24 -0.936 -4.849 -5.075
207 HD12 LEU 24 2HD1 LEU 24 0.316 -4.416 -3.909
208 HD13 LEU 24 3HD1 LEU 24 0.693 -4.452 -5.627
209 HD21 LEU 24 3HD2 LEU 24 -0.117 -2.648 -7.152
210 HD22 LEU 24 1HD2 LEU 24 -1.136 -1.346 -6.537
211 HD23 LEU 24 2HD2 LEU 24 -1.797 -2.972 -6.718
212 H VAL 25 H VAL 25 0.924 -3.035 -1.170
213 HA VAL 25 HA VAL 25 1.524 -0.256 -0.508
214 HB VAL 25 HB VAL 25 3.529 -1.220 0.719
215 HG11 VAL 25 1HG1 VAL 25 2.204 -2.152 2.600
216 HG12 VAL 25 2HG1 VAL 25 0.804 -2.323 1.538
217 HG13 VAL 25 3HG1 VAL 25 1.435 -0.717 1.916
218 HG21 VAL 25 3HG2 VAL 25 2.287 -3.915 0.014
219 HG22 VAL 25 1HG2 VAL 25 3.604 -3.664 1.165
220 HG23 VAL 25 2HG2 VAL 25 3.847 -3.308 -0.545
221 H LYS 26 H LYS 26 2.566 0.960 -1.851
222 HA LYS 26 HA LYS 26 4.208 0.071 -4.013
223 HB2 LYS 26 2HB LYS 26 2.893 2.152 -4.160
224 HB3 LYS 26 1HB LYS 26 3.770 2.828 -2.800
225 HG2 LYS 26 2HG LYS 26 4.534 3.790 -4.897
226 HG3 LYS 26 1HG LYS 26 5.825 2.877 -4.111
227 HD2 LYS 26 2HD LYS 26 5.452 0.995 -5.661
228 HD3 LYS 26 1HD LYS 26 4.127 1.876 -6.433
229 HE2 LYS 26 2HE LYS 26 6.237 2.012 -7.728
230 HE3 LYS 26 1HE LYS 26 5.677 3.599 -7.198
231 HZ1 LYS 26 3HZ LYS 26 8.097 3.203 -6.924
232 HZ2 LYS 26 1HZ LYS 26 7.748 2.026 -5.765
233 HZ3 LYS 26 2HZ LYS 26 7.316 3.642 -5.490
234 H TRP 27 H TRP 27 6.193 -0.707 -3.661
235 HA TRP 27 HA TRP 27 7.849 0.178 -1.435
236 HD1 TRP 27 HD TRP 27 6.393 -3.621 -3.073
237 HE1 TRP 27 1HE TRP 27 5.593 -4.781 -0.931
238 HE3 TRP 27 3HE TRP 27 9.273 -1.158 0.370
239 HZ2 TRP 27 2HZ TRP 27 6.075 -4.684 1.845
240 HZ3 TRP 27 3HZ TRP 27 9.029 -1.736 2.748
241 HH2 TRP 27 HH TRP 27 7.473 -3.465 3.471
242 HB2 TRP 27 2HB TRP 27 8.323 -1.889 -3.632
243 HB3 TRP 27 1HB TRP 27 9.456 -1.554 -2.318
244 H ARG 28 H ARG 28 9.119 1.872 -1.563
245 HA ARG 28 HA ARG 28 9.570 3.337 -3.969
246 HE ARG 28 HE ARG 28 12.989 5.169 -0.667
247 HB2 ARG 28 2HB ARG 28 11.076 4.778 -2.509
248 HB3 ARG 28 1HB ARG 28 9.402 4.641 -1.988
249 HG2 ARG 28 2HG ARG 28 10.034 3.066 -0.238
250 HG3 ARG 28 1HG ARG 28 11.711 3.072 -0.796
251 HD2 ARG 28 2HD ARG 28 10.216 5.492 0.286
252 HD3 ARG 28 1HD ARG 28 11.344 4.498 1.212
253 HH11 ARG 28 1HH1 ARG 28 10.535 7.314 0.674
254 HH12 ARG 28 2HH1 ARG 28 11.450 8.750 0.341
255 HH21 ARG 28 1HH2 ARG 28 14.160 7.052 -1.085
256 HH22 ARG 28 2HH2 ARG 28 13.501 8.602 -0.663
257 H GLY 29 H GLY 29 11.392 3.559 -5.209
258 HA2 GLY 29 2HA GLY 29 13.561 3.009 -5.985
259 HA3 GLY 29 1HA GLY 29 13.666 1.709 -4.806
260 H TRP 30 H TRP 30 11.043 0.639 -5.395
261 HA TRP 30 HA TRP 30 11.602 -0.841 -7.869
262 HD1 TRP 30 HD TRP 30 11.298 -1.541 -3.650
263 HE1 TRP 30 1HE TRP 30 13.118 -3.270 -3.095
264 HE3 TRP 30 3HE TRP 30 11.595 -3.901 -8.184
265 HZ2 TRP 30 2HZ TRP 30 14.497 -5.362 -4.395
266 HZ3 TRP 30 3HZ TRP 30 13.191 -5.755 -8.448
267 HH2 TRP 30 HH TRP 30 14.615 -6.473 -6.591
268 HB2 TRP 30 2HB TRP 30 9.546 -1.329 -5.668
269 HB3 TRP 30 1HB TRP 30 9.799 -2.370 -7.066
270 H SER 31 H SER 31 9.880 -1.250 -9.399
271 HA SER 31 HA SER 31 8.129 0.975 -10.011
272 HG SER 31 HG SER 31 9.517 0.820 -11.896
273 HB2 SER 31 2HB SER 31 8.514 -1.767 -11.302
274 HB3 SER 31 1HB SER 31 7.507 -0.490 -11.984
275 HA PRO 32 HA PRO 32 4.191 -0.568 -8.225
276 HB2 PRO 32 2HB PRO 32 3.050 -0.266 -11.005
277 HB3 PRO 32 1HB PRO 32 2.409 0.319 -9.461
278 HG2 PRO 32 2HG PRO 32 3.593 2.026 -11.110
279 HG3 PRO 32 1HG PRO 32 3.933 2.117 -9.366
280 HD2 PRO 32 2HD PRO 32 5.626 0.931 -11.571
281 HD3 PRO 32 1HD PRO 32 6.123 1.926 -10.181
282 H LYS 33 H LYS 33 5.461 -1.931 -11.175
283 HA LYS 33 HA LYS 33 4.118 -4.345 -11.450
284 HB2 LYS 33 2HB LYS 33 5.667 -3.510 -13.126
285 HB3 LYS 33 1HB LYS 33 7.012 -3.581 -11.996
286 HG2 LYS 33 2HG LYS 33 6.814 -6.081 -11.999
287 HG3 LYS 33 1HG LYS 33 5.554 -5.941 -13.231
288 HD2 LYS 33 2HD LYS 33 7.170 -4.879 -14.772
289 HD3 LYS 33 1HD LYS 33 8.420 -4.956 -13.527
290 HE2 LYS 33 2HE LYS 33 8.802 -6.754 -15.094
291 HE3 LYS 33 1HE LYS 33 8.238 -7.467 -13.586
292 HZ1 LYS 33 3HZ LYS 33 6.041 -7.713 -14.552
293 HZ2 LYS 33 1HZ LYS 33 7.193 -8.467 -15.532
294 HZ3 LYS 33 2HZ LYS 33 6.547 -6.974 -15.987
295 H TYR 34 H TYR 34 6.511 -3.436 -9.060
296 HA TYR 34 HA TYR 34 6.999 -6.241 -8.245
297 HD1 TYR 34 1HD TYR 34 9.489 -7.136 -8.891
298 HD2 TYR 34 2HD TYR 34 9.287 -2.978 -9.858
299 HE1 TYR 34 1HE TYR 34 10.720 -7.561 -10.971
300 HE2 TYR 34 2HE TYR 34 10.516 -3.406 -11.942
301 HH TYR 34 HH TYR 34 10.973 -6.497 -13.209
302 HB2 TYR 34 2HB TYR 34 8.593 -3.704 -7.694
303 HB3 TYR 34 1HB TYR 34 9.031 -5.314 -7.130
304 H ASN 35 H ASN 35 4.812 -4.058 -7.398
305 HA ASN 35 HA ASN 35 5.136 -3.907 -4.521
306 HB2 ASN 35 2HB ASN 35 2.687 -3.332 -6.240
307 HB3 ASN 35 1HB ASN 35 2.834 -2.954 -4.525
308 HD21 ASN 35 1HD2 ASN 35 2.191 -1.105 -6.479
309 HD22 ASN 35 2HD2 ASN 35 3.450 0.068 -6.567
310 H THR 36 H THR 36 3.835 -4.951 -2.956
311 HA THR 36 HA THR 36 2.305 -7.333 -3.838
312 HB THR 36 HB THR 36 4.376 -7.986 -2.594
313 HG1 THR 36 1HG THR 36 3.173 -9.241 -0.929
314 HG21 THR 36 3HG2 THR 36 3.133 -6.541 -0.223
315 HG22 THR 36 1HG2 THR 36 4.599 -6.064 -1.073
316 HG23 THR 36 2HG2 THR 36 4.566 -7.573 -0.169
317 H TRP 37 H TRP 37 0.481 -7.849 -2.507
318 HA TRP 37 HA TRP 37 -0.907 -5.570 -1.355
319 HD1 TRP 37 HD TRP 37 -1.255 -8.389 -4.418
320 HE1 TRP 37 1HE TRP 37 -2.419 -7.127 -6.327
321 HE3 TRP 37 3HE TRP 37 -3.979 -5.054 -1.658
322 HZ2 TRP 37 2HZ TRP 37 -4.228 -4.987 -6.642
323 HZ3 TRP 37 3HZ TRP 37 -5.401 -3.428 -2.841
324 HH2 TRP 37 HH TRP 37 -5.522 -3.398 -5.282
325 HB2 TRP 37 2HB TRP 37 -1.717 -8.486 -1.755
326 HB3 TRP 37 1HB TRP 37 -2.772 -7.250 -1.083
327 H GLU 38 H GLU 38 -1.238 -5.247 0.769
328 HA GLU 38 HA GLU 38 -0.469 -7.204 2.795
329 HB2 GLU 38 2HB GLU 38 0.700 -4.371 2.698
330 HB3 GLU 38 1HB GLU 38 0.723 -5.386 4.137
331 HG2 GLU 38 2HG GLU 38 1.955 -7.102 2.562
332 HG3 GLU 38 1HG GLU 38 2.275 -5.683 1.574
333 HA PRO 39 HA PRO 39 -4.447 -5.765 4.128
334 HB2 PRO 39 2HB PRO 39 -4.630 -6.943 6.574
335 HB3 PRO 39 1HB PRO 39 -4.645 -7.880 5.073
336 HG2 PRO 39 2HG PRO 39 -2.322 -7.332 6.932
337 HG3 PRO 39 1HG PRO 39 -2.846 -8.881 6.231
338 HD2 PRO 39 2HD PRO 39 -0.819 -7.442 5.145
339 HD3 PRO 39 1HD PRO 39 -1.931 -8.400 4.142
340 H GLU 40 H GLU 40 -5.525 -4.763 6.113
341 HA GLU 40 HA GLU 40 -4.512 -2.181 6.481
342 HB2 GLU 40 2HB GLU 40 -6.892 -2.789 6.523
343 HB3 GLU 40 1HB GLU 40 -6.662 -3.675 8.022
344 HG2 GLU 40 2HG GLU 40 -6.108 -1.530 9.164
345 HG3 GLU 40 1HG GLU 40 -6.404 -0.677 7.647
346 H GLU 41 H GLU 41 -4.122 -5.038 8.434
347 HA GLU 41 HA GLU 41 -3.137 -3.710 10.794
348 HB2 GLU 41 2HB GLU 41 -2.449 -6.127 11.445
349 HB3 GLU 41 1HB GLU 41 -4.152 -5.723 11.338
350 HG2 GLU 41 2HG GLU 41 -2.918 -6.899 8.874
351 HG3 GLU 41 1HG GLU 41 -3.071 -7.968 10.270
352 H ASN 42 H ASN 42 -1.686 -4.852 7.831
353 HA ASN 42 HA ASN 42 1.047 -4.508 8.841
354 HB2 ASN 42 2HB ASN 42 -0.028 -5.150 6.067
355 HB3 ASN 42 1HB ASN 42 1.685 -4.886 6.392
356 HD21 ASN 42 1HD2 ASN 42 2.299 -6.970 5.824
357 HD22 ASN 42 2HD2 ASN 42 1.895 -8.362 6.764
358 H ILE 43 H ILE 43 -1.374 -2.419 7.990
359 HA ILE 43 HA ILE 43 0.349 -0.385 6.769
360 HB ILE 43 HB ILE 43 -2.625 -0.241 7.450
361 HG12 ILE 43 2HG1 ILE 43 -2.288 -1.998 5.781
362 HG13 ILE 43 1HG1 ILE 43 -3.028 -0.605 5.021
363 HG21 ILE 43 1HG2 ILE 43 -1.612 1.977 7.267
364 HG22 ILE 43 2HG2 ILE 43 -2.691 1.675 5.906
365 HG23 ILE 43 3HG2 ILE 43 -0.944 1.564 5.687
366 HD11 ILE 43 3HD1 ILE 43 -1.386 -1.631 3.576
367 HD12 ILE 43 1HD1 ILE 43 -0.131 -1.408 4.796
368 HD13 ILE 43 2HD1 ILE 43 -0.875 -0.005 4.024
369 H LEU 44 H LEU 44 1.736 -0.159 8.579
370 HA LEU 44 HA LEU 44 0.687 1.116 11.013
371 HG LEU 44 HG LEU 44 3.262 -1.237 12.394
372 HB2 LEU 44 2HB LEU 44 3.436 0.077 10.242
373 HB3 LEU 44 1HB LEU 44 3.175 1.023 11.687
374 HD11 LEU 44 1HD1 LEU 44 1.488 0.019 13.490
375 HD12 LEU 44 2HD1 LEU 44 1.088 -1.693 13.383
376 HD13 LEU 44 3HD1 LEU 44 0.319 -0.540 12.286
377 HD21 LEU 44 3HD2 LEU 44 1.936 -3.074 11.470
378 HD22 LEU 44 1HD2 LEU 44 2.986 -2.359 10.248
379 HD23 LEU 44 2HD2 LEU 44 1.258 -1.994 10.248
380 H ASP 45 H ASP 45 2.584 1.754 8.151
381 HA ASP 45 HA ASP 45 3.654 4.290 8.857
382 HB2 ASP 45 2HB ASP 45 4.759 2.989 7.182
383 HB3 ASP 45 1HB ASP 45 3.300 2.845 6.212
384 HA PRO 46 HA PRO 46 -0.099 6.710 8.328
385 HB2 PRO 46 2HB PRO 46 0.917 9.229 8.533
386 HB3 PRO 46 1HB PRO 46 0.813 8.138 9.923
387 HG2 PRO 46 2HG PRO 46 3.186 8.704 8.139
388 HG3 PRO 46 1HG PRO 46 3.115 8.661 9.916
389 HD2 PRO 46 2HD PRO 46 4.017 6.545 8.472
390 HD3 PRO 46 1HD PRO 46 3.113 6.321 9.989
391 H ARG 47 H ARG 47 2.641 7.078 6.095
392 HA ARG 47 HA ARG 47 1.425 9.006 4.340
393 HE ARG 47 HE ARG 47 5.766 11.136 5.077
394 HB2 ARG 47 2HB ARG 47 3.636 7.009 3.685
395 HB3 ARG 47 1HB ARG 47 3.212 8.430 2.733
396 HG2 ARG 47 2HG ARG 47 4.383 8.421 5.533
397 HG3 ARG 47 1HG ARG 47 5.236 8.818 4.038
398 HD2 ARG 47 2HD ARG 47 3.749 10.768 3.720
399 HD3 ARG 47 1HD ARG 47 2.903 10.371 5.220
400 HH11 ARG 47 1HH1 ARG 47 2.665 11.312 6.748
401 HH12 ARG 47 2HH1 ARG 47 3.266 12.343 8.005
402 HH21 ARG 47 1HH2 ARG 47 6.537 12.484 6.705
403 HH22 ARG 47 2HH2 ARG 47 5.483 13.022 7.970
404 H LEU 48 H LEU 48 1.500 5.495 4.485
405 HA LEU 48 HA LEU 48 0.048 4.736 2.240
406 HG LEU 48 HG LEU 48 2.112 3.301 3.572
407 HB2 LEU 48 2HB LEU 48 0.049 3.725 5.097
408 HB3 LEU 48 1HB LEU 48 -0.892 2.927 3.849
409 HD11 LEU 48 1HD1 LEU 48 1.743 2.058 5.652
410 HD12 LEU 48 2HD1 LEU 48 2.424 1.021 4.401
411 HD13 LEU 48 3HD1 LEU 48 0.708 0.910 4.798
412 HD21 LEU 48 3HD2 LEU 48 0.160 1.362 2.284
413 HD22 LEU 48 1HD2 LEU 48 1.896 1.442 1.976
414 HD23 LEU 48 2HD2 LEU 48 0.861 2.788 1.518
415 H LEU 49 H LEU 49 -1.189 5.776 5.424
416 HA LEU 49 HA LEU 49 -3.950 5.549 4.736
417 HG LEU 49 HG LEU 49 -2.254 4.504 7.184
418 HB2 LEU 49 2HB LEU 49 -2.603 6.955 7.081
419 HB3 LEU 49 1HB LEU 49 -4.341 6.713 6.931
420 HD11 LEU 49 1HD1 LEU 49 -2.603 5.694 9.290
421 HD12 LEU 49 2HD1 LEU 49 -3.262 4.062 9.373
422 HD13 LEU 49 3HD1 LEU 49 -4.347 5.442 9.168
423 HD21 LEU 49 3HD2 LEU 49 -4.078 3.750 5.761
424 HD22 LEU 49 1HD2 LEU 49 -5.276 4.299 6.938
425 HD23 LEU 49 2HD2 LEU 49 -4.192 2.961 7.331
426 H ILE 50 H ILE 50 -1.642 8.243 4.650
427 HA ILE 50 HA ILE 50 -3.497 10.366 4.239
428 HB ILE 50 HB ILE 50 -0.568 10.123 3.412
429 HG12 ILE 50 2HG1 ILE 50 -1.806 11.612 5.772
430 HG13 ILE 50 1HG1 ILE 50 -1.017 10.046 5.887
431 HG21 ILE 50 1HG2 ILE 50 -1.647 11.810 1.997
432 HG22 ILE 50 2HG2 ILE 50 -0.554 12.583 3.142
433 HG23 ILE 50 3HG2 ILE 50 -2.295 12.625 3.425
434 HD11 ILE 50 3HD1 ILE 50 0.300 12.641 5.092
435 HD12 ILE 50 1HD1 ILE 50 1.103 11.072 5.195
436 HD13 ILE 50 2HD1 ILE 50 0.440 11.823 6.647
437 H ALA 51 H ALA 51 -1.635 8.309 2.031
438 HA ALA 51 HA ALA 51 -2.459 9.284 -0.463
439 HB1 ALA 51 1HB ALA 51 -0.631 7.644 -0.165
440 HB2 ALA 51 2HB ALA 51 -1.818 7.059 -1.336
441 HB3 ALA 51 3HB ALA 51 -1.803 6.417 0.311
442 H PHE 52 H PHE 52 -3.766 6.714 1.538
443 HA PHE 52 HA PHE 52 -5.933 5.776 0.089
444 HD1 PHE 52 2HD PHE 52 -7.138 3.474 0.911
445 HD2 PHE 52 1HD PHE 52 -7.286 5.922 4.427
446 HE1 PHE 52 2HE PHE 52 -9.223 2.406 1.590
447 HE2 PHE 52 1HE PHE 52 -9.390 4.832 5.083
448 HZ PHE 52 HZ PHE 52 -10.357 3.073 3.662
449 HB2 PHE 52 2HB PHE 52 -5.036 4.650 2.036
450 HB3 PHE 52 1HB PHE 52 -5.388 6.014 3.075
451 H GLN 53 H GLN 53 -5.803 8.463 2.447
452 HA GLN 53 HA GLN 53 -8.554 9.092 2.563
453 HB2 GLN 53 2HB GLN 53 -6.094 10.824 3.036
454 HB3 GLN 53 1HB GLN 53 -7.736 11.355 3.400
455 HG2 GLN 53 2HG GLN 53 -7.996 9.676 5.084
456 HG3 GLN 53 1HG GLN 53 -6.493 8.882 4.622
457 HE21 GLN 53 1HE2 GLN 53 -7.255 9.862 7.235
458 HE22 GLN 53 2HE2 GLN 53 -6.052 11.021 7.690
459 H ASN 54 H ASN 54 -5.975 10.354 0.505
460 HA ASN 54 HA ASN 54 -7.563 12.290 -0.903
461 HB2 ASN 54 2HB ASN 54 -4.869 11.084 -1.698
462 HB3 ASN 54 1HB ASN 54 -5.561 12.581 -2.318
463 HD21 ASN 54 1HD2 ASN 54 -3.001 12.093 -0.950
464 HD22 ASN 54 2HD2 ASN 54 -2.991 13.130 0.433
465 H ARG 55 H ARG 55 -6.709 8.927 -1.399
466 HA ARG 55 HA ARG 55 -7.111 8.836 -4.243
467 HE ARG 55 HE ARG 55 -5.469 3.662 -5.744
468 HB2 ARG 55 2HB ARG 55 -5.498 7.360 -3.060
469 HB3 ARG 55 1HB ARG 55 -6.829 6.591 -2.194
470 HG2 ARG 55 2HG ARG 55 -7.733 5.800 -4.397
471 HG3 ARG 55 1HG ARG 55 -6.299 6.468 -5.185
472 HD2 ARG 55 2HD ARG 55 -4.869 4.923 -3.921
473 HD3 ARG 55 1HD ARG 55 -6.274 4.307 -3.041
474 HH11 ARG 55 1HH1 ARG 55 -8.165 3.594 -3.472
475 HH12 ARG 55 2HH1 ARG 55 -9.041 2.406 -4.379
476 HH21 ARG 55 1HH2 ARG 55 -6.634 2.098 -6.901
477 HH22 ARG 55 2HH2 ARG 55 -8.169 1.551 -6.304
478 H GLU 56 H GLU 56 -9.026 7.752 -1.414
479 HA GLU 56 HA GLU 56 -11.013 6.437 -3.026
480 HB2 GLU 56 2HB GLU 56 -11.337 7.242 -0.116
481 HB3 GLU 56 1HB GLU 56 -12.216 5.985 -0.984
482 HG2 GLU 56 2HG GLU 56 -9.354 5.965 -0.023
483 HG3 GLU 56 1HG GLU 56 -10.659 4.877 0.412
484 H ARG 57 H ARG 57 -10.610 9.676 -1.771
485 HA ARG 57 HA ARG 57 -13.233 10.676 -2.149
486 HE ARG 57 HE ARG 57 -10.195 14.365 -3.135
487 HB2 ARG 57 2HB ARG 57 -11.415 11.896 -0.927
488 HB3 ARG 57 1HB ARG 57 -10.590 12.179 -2.457
489 HG2 ARG 57 2HG ARG 57 -12.564 13.508 -3.236
490 HG3 ARG 57 1HG ARG 57 -13.325 13.250 -1.665
491 HD2 ARG 57 2HD ARG 57 -12.320 15.465 -1.747
492 HD3 ARG 57 1HD ARG 57 -11.457 14.464 -0.577
493 HH11 ARG 57 1HH1 ARG 57 -10.533 16.453 -0.323
494 HH12 ARG 57 2HH1 ARG 57 -9.030 17.269 -0.592
495 HH21 ARG 57 1HH2 ARG 57 -8.236 15.420 -3.473
496 HH22 ARG 57 2HH2 ARG 57 -7.708 16.674 -2.400
497 H GLN 58 H GLN 58 -10.615 10.014 -4.400
498 HA GLN 58 HA GLN 58 -11.780 11.248 -6.709
499 HB2 GLN 58 2HB GLN 58 -9.641 9.090 -6.443
500 HB3 GLN 58 1HB GLN 58 -10.110 9.810 -7.977
501 HG2 GLN 58 2HG GLN 58 -8.985 11.420 -5.665
502 HG3 GLN 58 1HG GLN 58 -7.989 10.697 -6.930
503 HE21 GLN 58 1HE2 GLN 58 -7.238 12.734 -7.599
504 HE22 GLN 58 2HE2 GLN 58 -8.228 13.842 -8.484
505 H GLU 59 H GLU 59 -13.976 10.433 -6.349
506 HA GLU 59 HA GLU 59 -14.464 7.731 -7.432
507 HB2 GLU 59 2HB GLU 59 -15.641 8.397 -5.295
508 HB3 GLU 59 1HB GLU 59 -16.454 9.686 -6.177
509 HG2 GLU 59 2HG GLU 59 -17.453 7.922 -7.672
510 HG3 GLU 59 1HG GLU 59 -16.746 6.701 -6.621
511 H GLN 60 H GLN 60 -13.898 8.191 -9.528
512 HA GLN 60 HA GLN 60 -15.138 10.427 -10.977
513 HB2 GLN 60 2HB GLN 60 -12.683 10.138 -11.111
514 HB3 GLN 60 1HB GLN 60 -12.889 8.513 -11.750
515 HG2 GLN 60 2HG GLN 60 -13.921 9.450 -13.793
516 HG3 GLN 60 1HG GLN 60 -13.721 11.078 -13.144
517 HE21 GLN 60 1HE2 GLN 60 -12.388 11.712 -14.883
518 HE22 GLN 60 2HE2 GLN 60 -10.763 11.151 -15.060
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 27.265 -1.913 0.186
2 H2 GLY 1 2HT GLY 1 28.059 -1.671 1.658
3 H3 GLY 1 3HT GLY 1 26.668 -0.781 1.284
4 HA2 GLY 1 1HA GLY 1 26.770 -3.716 1.680
5 HA3 GLY 1 2HA GLY 1 26.180 -2.553 2.861
6 H SER 2 H SER 2 24.225 -3.998 2.642
7 HA SER 2 HA SER 2 22.489 -3.674 0.358
8 HG SER 2 HG SER 2 19.946 -5.408 2.271
9 HB2 SER 2 2HB SER 2 22.241 -5.660 1.802
10 HB3 SER 2 1HB SER 2 21.855 -4.645 3.193
11 H GLU 3 H GLU 3 22.431 -1.495 -0.008
12 HA GLU 3 HA GLU 3 21.310 0.296 2.068
13 HB2 GLU 3 2HB GLU 3 23.129 0.910 -0.310
14 HB3 GLU 3 1HB GLU 3 22.452 2.128 0.776
15 HG2 GLU 3 2HG GLU 3 23.637 1.189 2.669
16 HG3 GLU 3 1HG GLU 3 24.225 -0.156 1.696
17 H HIS 4 H HIS 4 20.446 -1.335 -0.694
18 HA HIS 4 HA HIS 4 18.323 0.543 -1.474
19 HD1 HIS 4 1HD HIS 4 20.733 -2.470 -4.125
20 HD2 HIS 4 2HD HIS 4 19.398 1.446 -3.746
21 HE1 HIS 4 1HE HIS 4 22.220 -1.114 -5.628
22 HE2 HIS 4 2HE HIS 4 21.443 1.266 -5.321
23 HB2 HIS 4 2HB HIS 4 18.891 -2.288 -2.487
24 HB3 HIS 4 1HB HIS 4 17.703 -1.177 -3.163
25 H VAL 5 H VAL 5 17.839 0.391 0.932
26 HA VAL 5 HA VAL 5 16.599 -1.978 1.995
27 HB VAL 5 HB VAL 5 15.979 -0.495 3.949
28 HG11 VAL 5 1HG1 VAL 5 18.121 -1.693 3.956
29 HG12 VAL 5 2HG1 VAL 5 18.310 -0.123 4.737
30 HG13 VAL 5 3HG1 VAL 5 18.904 -0.365 3.091
31 HG21 VAL 5 3HG2 VAL 5 17.387 1.713 2.374
32 HG22 VAL 5 1HG2 VAL 5 16.844 1.838 4.053
33 HG23 VAL 5 2HG2 VAL 5 15.664 1.651 2.755
34 H PHE 6 H PHE 6 14.415 -2.414 2.246
35 HA PHE 6 HA PHE 6 12.662 -1.113 0.324
36 HD1 PHE 6 1HD PHE 6 14.119 -4.738 2.015
37 HD2 PHE 6 2HD PHE 6 10.180 -3.420 3.020
38 HE1 PHE 6 1HE PHE 6 14.124 -6.193 4.001
39 HE2 PHE 6 2HE PHE 6 10.196 -4.875 4.997
40 HZ PHE 6 HZ PHE 6 12.166 -6.263 5.486
41 HB2 PHE 6 2HB PHE 6 11.100 -2.988 0.772
42 HB3 PHE 6 1HB PHE 6 12.699 -3.560 0.333
43 H ALA 7 H ALA 7 11.126 0.301 0.786
44 HA ALA 7 HA ALA 7 9.719 0.365 3.350
45 HB1 ALA 7 1HB ALA 7 11.127 2.832 2.231
46 HB2 ALA 7 2HB ALA 7 11.556 1.976 3.713
47 HB3 ALA 7 3HB ALA 7 10.013 2.823 3.605
48 H VAL 8 H VAL 8 7.579 0.869 3.038
49 HA VAL 8 HA VAL 8 6.536 1.070 0.376
50 HB VAL 8 HB VAL 8 5.000 1.579 2.964
51 HG11 VAL 8 1HG1 VAL 8 3.016 0.926 1.605
52 HG12 VAL 8 2HG1 VAL 8 4.048 0.744 0.186
53 HG13 VAL 8 3HG1 VAL 8 3.827 2.336 0.914
54 HG21 VAL 8 3HG2 VAL 8 4.344 -0.805 2.902
55 HG22 VAL 8 1HG2 VAL 8 6.093 -0.633 3.086
56 HG23 VAL 8 2HG2 VAL 8 5.407 -1.069 1.519
57 H GLU 9 H GLU 9 5.703 2.851 -0.651
58 HA GLU 9 HA GLU 9 6.658 5.489 0.281
59 HB2 GLU 9 2HB GLU 9 7.694 4.670 -1.815
60 HB3 GLU 9 1HB GLU 9 6.112 4.432 -2.535
61 HG2 GLU 9 2HG GLU 9 7.040 6.409 -3.479
62 HG3 GLU 9 1HG GLU 9 5.739 6.918 -2.406
63 H SER 10 H SER 10 3.923 3.689 -1.037
64 HA SER 10 HA SER 10 1.956 5.507 -0.037
65 HG SER 10 HG SER 10 0.696 7.340 -2.170
66 HB2 SER 10 2HB SER 10 2.699 6.778 -2.084
67 HB3 SER 10 1HB SER 10 2.296 5.385 -3.081
68 H ILE 11 H ILE 11 -0.212 4.720 -0.438
69 HA ILE 11 HA ILE 11 -0.522 1.910 -1.179
70 HB ILE 11 HB ILE 11 -2.512 4.064 -0.283
71 HG12 ILE 11 2HG1 ILE 11 -1.512 1.550 1.136
72 HG13 ILE 11 1HG1 ILE 11 -0.965 3.190 1.481
73 HG21 ILE 11 1HG2 ILE 11 -4.243 2.294 -0.172
74 HG22 ILE 11 2HG2 ILE 11 -3.125 1.144 -0.905
75 HG23 ILE 11 3HG2 ILE 11 -3.682 2.541 -1.828
76 HD11 ILE 11 3HD1 ILE 11 -3.244 3.771 2.208
77 HD12 ILE 11 1HD1 ILE 11 -2.551 2.443 3.134
78 HD13 ILE 11 2HD1 ILE 11 -3.754 2.108 1.893
79 H GLU 12 H GLU 12 -0.935 1.348 -3.249
80 HA GLU 12 HA GLU 12 -1.322 3.263 -5.374
81 HB2 GLU 12 2HB GLU 12 -1.174 0.208 -5.401
82 HB3 GLU 12 1HB GLU 12 -1.226 1.226 -6.838
83 HG2 GLU 12 2HG GLU 12 0.978 1.373 -4.758
84 HG3 GLU 12 1HG GLU 12 1.052 0.341 -6.185
85 H LYS 13 H LYS 13 -3.064 0.378 -4.193
86 HA LYS 13 HA LYS 13 -5.597 1.375 -5.370
87 HB2 LYS 13 2HB LYS 13 -4.562 -1.496 -5.276
88 HB3 LYS 13 1HB LYS 13 -6.170 -1.013 -5.825
89 HG2 LYS 13 2HG LYS 13 -5.115 0.281 -7.680
90 HG3 LYS 13 1HG LYS 13 -3.528 -0.293 -7.142
91 HD2 LYS 13 2HD LYS 13 -4.274 -2.640 -7.527
92 HD3 LYS 13 1HD LYS 13 -5.834 -2.038 -8.100
93 HE2 LYS 13 2HE LYS 13 -3.143 -1.464 -9.397
94 HE3 LYS 13 1HE LYS 13 -4.338 -2.633 -9.965
95 HZ1 LYS 13 3HZ LYS 13 -4.458 -0.542 -11.178
96 HZ2 LYS 13 1HZ LYS 13 -4.775 0.300 -9.751
97 HZ3 LYS 13 2HZ LYS 13 -5.893 -0.827 -10.334
98 H LYS 14 H LYS 14 -7.482 0.805 -4.309
99 HA LYS 14 HA LYS 14 -7.299 -0.196 -1.526
100 HB2 LYS 14 2HB LYS 14 -7.804 2.303 -1.804
101 HB3 LYS 14 1HB LYS 14 -9.276 1.873 -2.657
102 HG2 LYS 14 2HG LYS 14 -8.693 1.182 0.254
103 HG3 LYS 14 1HG LYS 14 -9.605 2.591 -0.273
104 HD2 LYS 14 2HD LYS 14 -11.264 0.995 -1.349
105 HD3 LYS 14 1HD LYS 14 -10.392 -0.335 -0.582
106 HE2 LYS 14 2HE LYS 14 -12.289 0.172 0.801
107 HE3 LYS 14 1HE LYS 14 -10.870 0.785 1.656
108 HZ1 LYS 14 3HZ LYS 14 -12.741 2.394 0.004
109 HZ2 LYS 14 1HZ LYS 14 -11.385 2.992 0.803
110 HZ3 LYS 14 2HZ LYS 14 -12.681 2.376 1.698
111 H ARG 15 H ARG 15 -8.526 -2.010 -1.184
112 HA ARG 15 HA ARG 15 -11.098 -2.352 -2.458
113 HE ARG 15 HE ARG 15 -9.772 -6.627 -2.819
114 HB2 ARG 15 2HB ARG 15 -10.528 -4.758 -3.225
115 HB3 ARG 15 1HB ARG 15 -9.947 -3.435 -4.218
116 HG2 ARG 15 2HG ARG 15 -8.174 -4.987 -4.144
117 HG3 ARG 15 1HG ARG 15 -7.689 -3.686 -3.066
118 HD2 ARG 15 2HD ARG 15 -7.095 -5.866 -2.129
119 HD3 ARG 15 1HD ARG 15 -8.312 -5.083 -1.117
120 HH11 ARG 15 1HH1 ARG 15 -7.102 -7.455 -0.694
121 HH12 ARG 15 2HH1 ARG 15 -7.720 -9.037 -0.369
122 HH21 ARG 15 1HH2 ARG 15 -10.508 -8.696 -2.419
123 HH22 ARG 15 2HH2 ARG 15 -9.644 -9.732 -1.330
124 H ILE 16 H ILE 16 -12.401 -3.940 -1.481
125 HA ILE 16 HA ILE 16 -11.492 -5.084 1.093
126 HB ILE 16 HB ILE 16 -14.115 -3.547 0.665
127 HG12 ILE 16 2HG1 ILE 16 -11.813 -3.158 2.596
128 HG13 ILE 16 1HG1 ILE 16 -12.143 -2.139 1.200
129 HG21 ILE 16 1HG2 ILE 16 -13.317 -5.235 3.085
130 HG22 ILE 16 2HG2 ILE 16 -14.617 -5.598 1.946
131 HG23 ILE 16 3HG2 ILE 16 -14.736 -4.187 2.995
132 HD11 ILE 16 3HD1 ILE 16 -12.774 -1.047 3.250
133 HD12 ILE 16 1HD1 ILE 16 -13.829 -2.389 3.693
134 HD13 ILE 16 2HD1 ILE 16 -14.215 -1.382 2.292
135 H ARG 17 H ARG 17 -11.927 -7.155 1.231
136 HA ARG 17 HA ARG 17 -14.407 -8.289 0.331
137 HE ARG 17 HE ARG 17 -14.603 -9.541 -3.323
138 HB2 ARG 17 2HB ARG 17 -13.033 -8.501 -1.733
139 HB3 ARG 17 1HB ARG 17 -11.779 -9.339 -0.831
140 HG2 ARG 17 2HG ARG 17 -13.148 -11.288 -0.546
141 HG3 ARG 17 1HG ARG 17 -14.593 -10.442 -1.103
142 HD2 ARG 17 2HD ARG 17 -12.166 -11.051 -2.845
143 HD3 ARG 17 1HD ARG 17 -13.664 -11.991 -2.812
144 HH11 ARG 17 1HH1 ARG 17 -11.983 -11.273 -4.884
145 HH12 ARG 17 2HH1 ARG 17 -12.266 -10.527 -6.419
146 HH21 ARG 17 1HH2 ARG 17 -14.932 -8.572 -5.324
147 HH22 ARG 17 2HH2 ARG 17 -13.936 -9.016 -6.669
148 H LYS 18 H LYS 18 -14.859 -10.308 1.326
149 HA LYS 18 HA LYS 18 -14.935 -11.838 2.971
150 HB2 LYS 18 2HB LYS 18 -12.693 -12.488 1.913
151 HB3 LYS 18 1HB LYS 18 -11.906 -11.580 3.188
152 HG2 LYS 18 2HG LYS 18 -11.760 -13.837 3.838
153 HG3 LYS 18 1HG LYS 18 -13.031 -13.167 4.856
154 HD2 LYS 18 2HD LYS 18 -13.668 -14.657 2.285
155 HD3 LYS 18 1HD LYS 18 -13.368 -15.525 3.787
156 HE2 LYS 18 2HE LYS 18 -15.572 -13.469 3.367
157 HE3 LYS 18 1HE LYS 18 -15.789 -15.218 3.346
158 HZ1 LYS 18 3HZ LYS 18 -14.907 -13.588 5.672
159 HZ2 LYS 18 1HZ LYS 18 -15.016 -15.274 5.658
160 HZ3 LYS 18 2HZ LYS 18 -16.410 -14.336 5.485
161 H GLY 19 H GLY 19 -15.215 -9.020 3.517
162 HA2 GLY 19 2HA GLY 19 -15.687 -7.662 5.298
163 HA3 GLY 19 1HA GLY 19 -15.339 -9.016 6.360
164 H ARG 20 H ARG 20 -12.889 -7.943 4.114
165 HA ARG 20 HA ARG 20 -11.351 -6.598 6.239
166 HE ARG 20 HE ARG 20 -10.785 -11.384 8.232
167 HB2 ARG 20 2HB ARG 20 -10.331 -8.949 4.577
168 HB3 ARG 20 1HB ARG 20 -9.337 -7.946 5.634
169 HG2 ARG 20 2HG ARG 20 -10.664 -8.722 7.593
170 HG3 ARG 20 1HG ARG 20 -11.606 -9.767 6.519
171 HD2 ARG 20 2HD ARG 20 -9.559 -11.002 5.917
172 HD3 ARG 20 1HD ARG 20 -8.604 -9.926 6.951
173 HH11 ARG 20 1HH1 ARG 20 -7.334 -11.203 7.639
174 HH12 ARG 20 2HH1 ARG 20 -6.936 -12.306 8.914
175 HH21 ARG 20 1HH2 ARG 20 -10.257 -12.831 9.886
176 HH22 ARG 20 2HH2 ARG 20 -8.596 -13.229 10.188
177 H VAL 21 H VAL 21 -9.927 -5.053 5.508
178 HA VAL 21 HA VAL 21 -10.007 -4.386 2.637
179 HB VAL 21 HB VAL 21 -10.633 -2.621 4.310
180 HG11 VAL 21 1HG1 VAL 21 -7.714 -2.689 5.140
181 HG12 VAL 21 2HG1 VAL 21 -9.090 -3.181 6.130
182 HG13 VAL 21 3HG1 VAL 21 -8.904 -1.490 5.657
183 HG21 VAL 21 3HG2 VAL 21 -8.206 -1.980 2.594
184 HG22 VAL 21 1HG2 VAL 21 -9.333 -0.786 3.249
185 HG23 VAL 21 2HG2 VAL 21 -9.889 -1.974 2.067
186 H GLU 22 H GLU 22 -8.139 -4.140 1.426
187 HA GLU 22 HA GLU 22 -5.522 -4.695 2.617
188 HB2 GLU 22 2HB GLU 22 -6.378 -6.904 1.865
189 HB3 GLU 22 1HB GLU 22 -6.642 -6.263 0.246
190 HG2 GLU 22 2HG GLU 22 -4.231 -5.943 -0.044
191 HG3 GLU 22 1HG GLU 22 -3.949 -6.502 1.609
192 H TYR 23 H TYR 23 -3.834 -3.795 1.482
193 HA TYR 23 HA TYR 23 -4.559 -1.796 -0.585
194 HD1 TYR 23 2HD TYR 23 -5.815 -0.100 0.231
195 HD2 TYR 23 1HD TYR 23 -3.609 -0.819 3.822
196 HE1 TYR 23 2HE TYR 23 -7.656 0.810 1.567
197 HE2 TYR 23 1HE TYR 23 -5.471 0.081 5.146
198 HH TYR 23 HH TYR 23 -7.389 1.666 4.769
199 HB2 TYR 23 2HB TYR 23 -2.641 -1.449 1.767
200 HB3 TYR 23 1HB TYR 23 -2.984 -0.242 0.531
201 H LEU 24 H LEU 24 -3.214 -1.673 -2.293
202 HA LEU 24 HA LEU 24 -0.967 -3.478 -2.584
203 HG LEU 24 HG LEU 24 0.247 -1.994 -5.186
204 HB2 LEU 24 2HB LEU 24 -2.576 -2.870 -4.441
205 HB3 LEU 24 1HB LEU 24 -1.935 -1.238 -4.413
206 HD11 LEU 24 1HD1 LEU 24 -0.827 -4.825 -5.089
207 HD12 LEU 24 2HD1 LEU 24 0.406 -4.134 -4.030
208 HD13 LEU 24 3HD1 LEU 24 0.731 -4.324 -5.749
209 HD21 LEU 24 3HD2 LEU 24 -0.332 -2.788 -7.434
210 HD22 LEU 24 1HD2 LEU 24 -1.448 -1.528 -6.905
211 HD23 LEU 24 2HD2 LEU 24 -1.954 -3.221 -6.884
212 H VAL 25 H VAL 25 0.990 -2.978 -1.718
213 HA VAL 25 HA VAL 25 1.592 -0.250 -0.839
214 HB VAL 25 HB VAL 25 3.462 -1.180 0.362
215 HG11 VAL 25 1HG1 VAL 25 1.106 -3.081 0.653
216 HG12 VAL 25 2HG1 VAL 25 1.284 -1.502 1.424
217 HG13 VAL 25 3HG1 VAL 25 2.381 -2.815 1.851
218 HG21 VAL 25 3HG2 VAL 25 4.397 -2.742 -1.267
219 HG22 VAL 25 1HG2 VAL 25 3.021 -3.826 -1.072
220 HG23 VAL 25 2HG2 VAL 25 4.144 -3.576 0.266
221 H LYS 26 H LYS 26 3.219 1.009 -1.678
222 HA LYS 26 HA LYS 26 4.340 0.186 -4.281
223 HB2 LYS 26 2HB LYS 26 2.924 2.269 -4.124
224 HB3 LYS 26 1HB LYS 26 4.115 2.966 -3.032
225 HG2 LYS 26 2HG LYS 26 4.352 3.808 -5.330
226 HG3 LYS 26 1HG LYS 26 5.798 2.955 -4.786
227 HD2 LYS 26 2HD LYS 26 5.392 1.092 -6.194
228 HD3 LYS 26 1HD LYS 26 3.687 1.493 -6.408
229 HE2 LYS 26 2HE LYS 26 6.010 3.084 -7.551
230 HE3 LYS 26 1HE LYS 26 5.008 1.942 -8.450
231 HZ1 LYS 26 3HZ LYS 26 4.252 4.174 -8.828
232 HZ2 LYS 26 1HZ LYS 26 4.101 4.455 -7.165
233 HZ3 LYS 26 2HZ LYS 26 3.082 3.350 -7.930
234 H TRP 27 H TRP 27 6.184 -0.941 -3.713
235 HA TRP 27 HA TRP 27 7.996 -0.136 -1.660
236 HD1 TRP 27 HD TRP 27 6.757 -4.133 -3.376
237 HE1 TRP 27 1HE TRP 27 6.032 -5.350 -1.243
238 HE3 TRP 27 3HE TRP 27 9.075 -1.173 0.088
239 HZ2 TRP 27 2HZ TRP 27 6.362 -5.093 1.531
240 HZ3 TRP 27 3HZ TRP 27 8.799 -1.720 2.468
241 HH2 TRP 27 HH TRP 27 7.471 -3.646 3.175
242 HB2 TRP 27 2HB TRP 27 8.298 -2.122 -3.954
243 HB3 TRP 27 1HB TRP 27 9.543 -1.863 -2.733
244 H ARG 28 H ARG 28 9.309 1.550 -1.725
245 HA ARG 28 HA ARG 28 9.829 3.092 -4.067
246 HE ARG 28 HE ARG 28 12.478 4.418 -0.273
247 HB2 ARG 28 2HB ARG 28 9.653 4.045 -1.751
248 HB3 ARG 28 1HB ARG 28 11.173 3.256 -1.342
249 HG2 ARG 28 2HG ARG 28 12.302 4.617 -3.135
250 HG3 ARG 28 1HG ARG 28 10.778 5.471 -3.388
251 HD2 ARG 28 2HD ARG 28 12.221 6.805 -1.976
252 HD3 ARG 28 1HD ARG 28 10.857 6.240 -1.010
253 HH11 ARG 28 1HH1 ARG 28 13.579 7.663 -1.048
254 HH12 ARG 28 2HH1 ARG 28 14.939 7.580 0.019
255 HH21 ARG 28 1HH2 ARG 28 14.271 4.312 1.090
256 HH22 ARG 28 2HH2 ARG 28 15.325 5.679 1.232
257 H GLY 29 H GLY 29 11.474 2.940 -5.496
258 HA2 GLY 29 2HA GLY 29 13.632 2.433 -6.309
259 HA3 GLY 29 1HA GLY 29 13.919 1.390 -4.925
260 H TRP 30 H TRP 30 10.925 0.551 -5.791
261 HA TRP 30 HA TRP 30 11.734 -1.511 -7.763
262 HD1 TRP 30 HD TRP 30 11.778 -1.289 -3.626
263 HE1 TRP 30 1HE TRP 30 13.729 -2.751 -2.823
264 HE3 TRP 30 3HE TRP 30 11.721 -4.847 -7.315
265 HZ2 TRP 30 2HZ TRP 30 15.073 -5.095 -3.624
266 HZ3 TRP 30 3HZ TRP 30 13.373 -6.665 -7.221
267 HH2 TRP 30 HH TRP 30 15.019 -6.792 -5.407
268 HB2 TRP 30 2HB TRP 30 9.769 -1.800 -5.436
269 HB3 TRP 30 1HB TRP 30 10.098 -3.036 -6.648
270 H SER 31 H SER 31 10.326 -1.899 -9.440
271 HA SER 31 HA SER 31 8.537 0.133 -10.266
272 HG SER 31 HG SER 31 10.342 -0.423 -11.828
273 HB2 SER 31 2HB SER 31 8.746 -2.713 -11.341
274 HB3 SER 31 1HB SER 31 8.128 -1.295 -12.210
275 HA PRO 32 HA PRO 32 4.586 -1.223 -8.471
276 HB2 PRO 32 2HB PRO 32 2.781 -0.390 -10.362
277 HB3 PRO 32 1HB PRO 32 3.641 0.729 -9.292
278 HG2 PRO 32 2HG PRO 32 4.296 -0.062 -12.133
279 HG3 PRO 32 1HG PRO 32 4.234 1.564 -11.422
280 HD2 PRO 32 2HD PRO 32 6.575 0.264 -11.776
281 HD3 PRO 32 1HD PRO 32 6.311 1.314 -10.362
282 H LYS 33 H LYS 33 6.041 -3.023 -10.748
283 HA LYS 33 HA LYS 33 3.870 -5.006 -10.937
284 HB2 LYS 33 2HB LYS 33 5.417 -6.246 -12.438
285 HB3 LYS 33 1HB LYS 33 5.078 -4.615 -13.010
286 HG2 LYS 33 2HG LYS 33 7.284 -3.866 -12.098
287 HG3 LYS 33 1HG LYS 33 7.617 -5.527 -11.610
288 HD2 LYS 33 2HD LYS 33 8.769 -5.049 -13.701
289 HD3 LYS 33 1HD LYS 33 7.494 -6.237 -13.996
290 HE2 LYS 33 2HE LYS 33 6.030 -4.407 -14.855
291 HE3 LYS 33 1HE LYS 33 7.347 -3.256 -14.607
292 HZ1 LYS 33 3HZ LYS 33 7.414 -5.603 -16.422
293 HZ2 LYS 33 1HZ LYS 33 8.672 -4.502 -16.187
294 HZ3 LYS 33 2HZ LYS 33 7.221 -3.990 -16.889
295 H TYR 34 H TYR 34 6.857 -4.311 -9.250
296 HA TYR 34 HA TYR 34 7.206 -7.015 -8.171
297 HD1 TYR 34 1HD TYR 34 8.856 -7.618 -9.612
298 HD2 TYR 34 2HD TYR 34 10.349 -3.656 -9.073
299 HE1 TYR 34 1HE TYR 34 10.077 -7.799 -11.729
300 HE2 TYR 34 2HE TYR 34 11.578 -3.830 -11.193
301 HH TYR 34 HH TYR 34 12.422 -5.423 -12.713
302 HB2 TYR 34 2HB TYR 34 8.788 -4.481 -7.530
303 HB3 TYR 34 1HB TYR 34 9.256 -6.130 -7.136
304 H ASN 35 H ASN 35 5.257 -4.488 -7.473
305 HA ASN 35 HA ASN 35 5.525 -4.181 -4.633
306 HB2 ASN 35 2HB ASN 35 3.633 -2.658 -4.888
307 HB3 ASN 35 1HB ASN 35 4.834 -2.333 -6.120
308 HD21 ASN 35 1HD2 ASN 35 2.317 -1.351 -6.346
309 HD22 ASN 35 2HD2 ASN 35 1.492 -2.133 -7.649
310 H THR 36 H THR 36 3.892 -4.766 -3.051
311 HA THR 36 HA THR 36 2.568 -7.345 -3.697
312 HB THR 36 HB THR 36 3.104 -7.991 -1.302
313 HG1 THR 36 1HG THR 36 3.606 -6.121 -0.267
314 HG21 THR 36 3HG2 THR 36 5.477 -8.567 -1.738
315 HG22 THR 36 1HG2 THR 36 5.505 -7.428 -3.086
316 HG23 THR 36 2HG2 THR 36 4.477 -8.862 -3.164
317 H TRP 37 H TRP 37 0.662 -7.870 -2.604
318 HA TRP 37 HA TRP 37 -0.994 -5.641 -1.664
319 HD1 TRP 37 HD TRP 37 -1.049 -8.200 -4.919
320 HE1 TRP 37 1HE TRP 37 -2.268 -6.884 -6.755
321 HE3 TRP 37 3HE TRP 37 -4.079 -5.315 -1.976
322 HZ2 TRP 37 2HZ TRP 37 -4.239 -4.883 -6.947
323 HZ3 TRP 37 3HZ TRP 37 -5.597 -3.710 -3.064
324 HH2 TRP 37 HH TRP 37 -5.670 -3.502 -5.500
325 HB2 TRP 37 2HB TRP 37 -1.579 -8.565 -2.307
326 HB3 TRP 37 1HB TRP 37 -2.779 -7.505 -1.585
327 H GLU 38 H GLU 38 -1.102 -5.160 0.430
328 HA GLU 38 HA GLU 38 -0.775 -7.200 2.506
329 HB2 GLU 38 2HB GLU 38 0.754 -4.557 2.405
330 HB3 GLU 38 1HB GLU 38 0.688 -5.619 3.813
331 HG2 GLU 38 2HG GLU 38 1.757 -7.423 2.486
332 HG3 GLU 38 1HG GLU 38 1.854 -6.335 1.103
333 HA PRO 39 HA PRO 39 -4.554 -5.231 3.961
334 HB2 PRO 39 2HB PRO 39 -4.648 -6.413 6.465
335 HB3 PRO 39 1HB PRO 39 -5.082 -7.238 4.965
336 HG2 PRO 39 2HG PRO 39 -2.462 -7.289 6.458
337 HG3 PRO 39 1HG PRO 39 -3.404 -8.655 5.812
338 HD2 PRO 39 2HD PRO 39 -1.305 -7.708 4.461
339 HD3 PRO 39 1HD PRO 39 -2.776 -8.198 3.592
340 H GLU 40 H GLU 40 -5.373 -4.099 6.005
341 HA GLU 40 HA GLU 40 -3.789 -1.768 6.439
342 HB2 GLU 40 2HB GLU 40 -6.316 -1.881 6.337
343 HB3 GLU 40 1HB GLU 40 -6.303 -2.623 7.931
344 HG2 GLU 40 2HG GLU 40 -5.169 -0.541 8.801
345 HG3 GLU 40 1HG GLU 40 -5.391 0.178 7.208
346 H GLU 41 H GLU 41 -4.159 -4.745 8.234
347 HA GLU 41 HA GLU 41 -3.118 -3.876 10.748
348 HB2 GLU 41 2HB GLU 41 -2.739 -6.297 11.210
349 HB3 GLU 41 1HB GLU 41 -4.363 -5.963 10.613
350 HG2 GLU 41 2HG GLU 41 -3.592 -6.701 8.325
351 HG3 GLU 41 1HG GLU 41 -2.066 -7.196 9.061
352 H ASN 42 H ASN 42 -1.634 -4.727 7.686
353 HA ASN 42 HA ASN 42 1.097 -4.575 8.708
354 HB2 ASN 42 2HB ASN 42 0.091 -4.608 5.814
355 HB3 ASN 42 1HB ASN 42 1.783 -4.703 6.306
356 HD21 ASN 42 1HD2 ASN 42 2.126 -6.691 5.365
357 HD22 ASN 42 2HD2 ASN 42 1.412 -8.155 5.932
358 H ILE 43 H ILE 43 -1.202 -2.570 6.921
359 HA ILE 43 HA ILE 43 0.566 -0.275 6.695
360 HB ILE 43 HB ILE 43 -2.409 -0.459 6.007
361 HG12 ILE 43 2HG1 ILE 43 -1.153 -2.152 4.709
362 HG13 ILE 43 1HG1 ILE 43 -1.693 -0.854 3.652
363 HG21 ILE 43 1HG2 ILE 43 -1.976 1.490 4.556
364 HG22 ILE 43 2HG2 ILE 43 -0.293 1.531 5.087
365 HG23 ILE 43 3HG2 ILE 43 -1.589 1.857 6.239
366 HD11 ILE 43 3HD1 ILE 43 1.111 -1.195 4.732
367 HD12 ILE 43 1HD1 ILE 43 0.566 0.087 3.644
368 HD13 ILE 43 2HD1 ILE 43 0.550 -1.590 3.113
369 H LEU 44 H LEU 44 0.869 -0.309 9.055
370 HA LEU 44 HA LEU 44 -1.224 1.021 10.642
371 HG LEU 44 HG LEU 44 0.108 -0.715 13.664
372 HB2 LEU 44 2HB LEU 44 0.651 -0.955 11.303
373 HB3 LEU 44 1HB LEU 44 1.414 0.480 11.949
374 HD11 LEU 44 1HD1 LEU 44 -1.232 1.130 14.564
375 HD12 LEU 44 2HD1 LEU 44 -1.145 1.964 13.007
376 HD13 LEU 44 3HD1 LEU 44 0.323 1.690 13.946
377 HD21 LEU 44 3HD2 LEU 44 -2.338 -0.900 13.543
378 HD22 LEU 44 1HD2 LEU 44 -1.561 -1.750 12.206
379 HD23 LEU 44 2HD2 LEU 44 -2.325 -0.182 11.928
380 H ASP 45 H ASP 45 1.463 1.750 8.709
381 HA ASP 45 HA ASP 45 2.512 4.054 10.018
382 HB2 ASP 45 2HB ASP 45 3.835 2.738 8.402
383 HB3 ASP 45 1HB ASP 45 2.711 3.150 7.112
384 HA PRO 46 HA PRO 46 -1.066 6.618 9.019
385 HB2 PRO 46 2HB PRO 46 0.586 8.902 10.033
386 HB3 PRO 46 1HB PRO 46 -0.971 8.294 10.611
387 HG2 PRO 46 2HG PRO 46 1.267 7.870 12.012
388 HG3 PRO 46 1HG PRO 46 0.023 6.603 11.904
389 HD2 PRO 46 2HD PRO 46 2.607 6.864 10.340
390 HD3 PRO 46 1HD PRO 46 1.929 5.434 11.160
391 H ARG 47 H ARG 47 2.143 7.380 7.738
392 HA ARG 47 HA ARG 47 1.370 9.480 5.944
393 HE ARG 47 HE ARG 47 4.838 11.302 8.356
394 HB2 ARG 47 2HB ARG 47 3.725 7.550 5.790
395 HB3 ARG 47 1HB ARG 47 3.521 8.947 4.737
396 HG2 ARG 47 2HG ARG 47 3.832 9.080 7.762
397 HG3 ARG 47 1HG ARG 47 5.134 9.331 6.592
398 HD2 ARG 47 2HD ARG 47 3.898 11.251 5.641
399 HD3 ARG 47 1HD ARG 47 2.612 11.012 6.831
400 HH11 ARG 47 1HH1 ARG 47 3.466 13.304 5.804
401 HH12 ARG 47 2HH1 ARG 47 4.049 14.782 6.498
402 HH21 ARG 47 1HH2 ARG 47 5.574 13.222 9.244
403 HH22 ARG 47 2HH2 ARG 47 5.267 14.730 8.444
404 H LEU 48 H LEU 48 1.450 5.975 5.717
405 HA LEU 48 HA LEU 48 0.695 5.769 2.948
406 HG LEU 48 HG LEU 48 2.760 4.262 5.017
407 HB2 LEU 48 2HB LEU 48 0.379 3.723 5.177
408 HB3 LEU 48 1HB LEU 48 0.300 3.390 3.447
409 HD11 LEU 48 1HD1 LEU 48 3.638 2.041 4.513
410 HD12 LEU 48 2HD1 LEU 48 2.132 1.603 3.700
411 HD13 LEU 48 3HD1 LEU 48 2.138 1.941 5.435
412 HD21 LEU 48 3HD2 LEU 48 2.828 5.272 2.803
413 HD22 LEU 48 1HD2 LEU 48 2.503 3.712 2.038
414 HD23 LEU 48 2HD2 LEU 48 4.016 3.979 2.908
415 H LEU 49 H LEU 49 -1.011 5.884 6.042
416 HA LEU 49 HA LEU 49 -3.634 5.297 5.085
417 HG LEU 49 HG LEU 49 -1.877 4.667 7.780
418 HB2 LEU 49 2HB LEU 49 -2.828 6.916 7.532
419 HB3 LEU 49 1HB LEU 49 -4.428 6.245 7.229
420 HD11 LEU 49 1HD1 LEU 49 -4.381 5.018 9.462
421 HD12 LEU 49 2HD1 LEU 49 -2.792 5.725 9.776
422 HD13 LEU 49 3HD1 LEU 49 -3.004 3.980 9.847
423 HD21 LEU 49 3HD2 LEU 49 -4.662 3.611 7.193
424 HD22 LEU 49 1HD2 LEU 49 -3.288 2.645 7.742
425 HD23 LEU 49 2HD2 LEU 49 -3.232 3.438 6.172
426 H ILE 50 H ILE 50 -1.732 8.273 5.201
427 HA ILE 50 HA ILE 50 -3.733 10.151 4.485
428 HB ILE 50 HB ILE 50 -0.753 10.106 3.828
429 HG12 ILE 50 2HG1 ILE 50 -2.280 11.675 5.956
430 HG13 ILE 50 1HG1 ILE 50 -1.309 10.242 6.256
431 HG21 ILE 50 1HG2 ILE 50 -0.913 12.517 3.293
432 HG22 ILE 50 2HG2 ILE 50 -2.667 12.440 3.449
433 HG23 ILE 50 3HG2 ILE 50 -1.857 11.535 2.169
434 HD11 ILE 50 3HD1 ILE 50 0.699 11.473 5.537
435 HD12 ILE 50 1HD1 ILE 50 -0.115 12.228 6.907
436 HD13 ILE 50 2HD1 ILE 50 -0.296 12.913 5.293
437 H ALA 51 H ALA 51 -1.603 8.083 2.518
438 HA ALA 51 HA ALA 51 -2.504 8.818 -0.050
439 HB1 ALA 51 1HB ALA 51 -1.539 6.695 -0.841
440 HB2 ALA 51 2HB ALA 51 -1.447 6.104 0.821
441 HB3 ALA 51 3HB ALA 51 -0.458 7.475 0.316
442 H PHE 52 H PHE 52 -3.719 6.343 2.207
443 HA PHE 52 HA PHE 52 -5.783 5.222 0.657
444 HD1 PHE 52 1HD PHE 52 -7.550 3.377 1.441
445 HD2 PHE 52 2HD PHE 52 -7.258 5.686 5.028
446 HE1 PHE 52 1HE PHE 52 -9.833 2.723 2.061
447 HE2 PHE 52 2HE PHE 52 -9.544 5.012 5.642
448 HZ PHE 52 HZ PHE 52 -10.832 3.528 4.159
449 HB2 PHE 52 2HB PHE 52 -5.227 4.088 2.666
450 HB3 PHE 52 1HB PHE 52 -5.373 5.541 3.641
451 H GLN 53 H GLN 53 -5.867 8.033 2.884
452 HA GLN 53 HA GLN 53 -8.600 8.727 2.609
453 HB2 GLN 53 2HB GLN 53 -6.202 10.533 3.170
454 HB3 GLN 53 1HB GLN 53 -7.887 11.012 3.386
455 HG2 GLN 53 2HG GLN 53 -8.175 9.390 5.165
456 HG3 GLN 53 1HG GLN 53 -6.572 8.721 4.869
457 HE21 GLN 53 1HE2 GLN 53 -8.335 11.458 6.172
458 HE22 GLN 53 2HE2 GLN 53 -7.016 12.136 7.052
459 H ASN 54 H ASN 54 -5.783 9.455 0.634
460 HA ASN 54 HA ASN 54 -7.067 11.300 -1.157
461 HB2 ASN 54 2HB ASN 54 -4.476 9.717 -1.460
462 HB3 ASN 54 1HB ASN 54 -5.003 10.986 -2.562
463 HD21 ASN 54 1HD2 ASN 54 -2.589 10.799 -0.887
464 HD22 ASN 54 2HD2 ASN 54 -2.596 12.218 0.101
465 H ARG 55 H ARG 55 -6.649 7.775 -1.071
466 HA ARG 55 HA ARG 55 -7.486 7.260 -3.778
467 HE ARG 55 HE ARG 55 -3.322 5.106 -3.563
468 HB2 ARG 55 2HB ARG 55 -7.483 5.372 -1.373
469 HB3 ARG 55 1HB ARG 55 -7.778 4.874 -3.040
470 HG2 ARG 55 2HG ARG 55 -5.208 5.964 -1.873
471 HG3 ARG 55 1HG ARG 55 -5.507 4.327 -2.452
472 HD2 ARG 55 2HD ARG 55 -5.639 5.104 -4.743
473 HD3 ARG 55 1HD ARG 55 -5.605 6.795 -4.228
474 HH11 ARG 55 1HH1 ARG 55 -4.562 7.635 -5.638
475 HH12 ARG 55 2HH1 ARG 55 -2.992 8.197 -6.102
476 HH21 ARG 55 1HH2 ARG 55 -1.256 5.847 -4.166
477 HH22 ARG 55 2HH2 ARG 55 -1.113 7.186 -5.256
478 H GLU 56 H GLU 56 -9.149 7.740 -0.746
479 HA GLU 56 HA GLU 56 -11.750 6.871 -1.562
480 HB2 GLU 56 2HB GLU 56 -11.006 8.891 0.603
481 HB3 GLU 56 1HB GLU 56 -12.562 8.078 0.431
482 HG2 GLU 56 2HG GLU 56 -9.904 6.818 1.185
483 HG3 GLU 56 1HG GLU 56 -11.319 7.033 2.214
484 H ARG 57 H ARG 57 -9.930 9.839 -1.970
485 HA ARG 57 HA ARG 57 -12.343 11.340 -2.796
486 HE ARG 57 HE ARG 57 -12.746 14.368 -0.864
487 HB2 ARG 57 2HB ARG 57 -9.616 12.410 -1.936
488 HB3 ARG 57 1HB ARG 57 -11.039 13.379 -2.319
489 HG2 ARG 57 2HG ARG 57 -10.745 11.454 0.018
490 HG3 ARG 57 1HG ARG 57 -10.740 13.219 0.104
491 HD2 ARG 57 2HD ARG 57 -13.092 11.499 -0.787
492 HD3 ARG 57 1HD ARG 57 -12.918 12.236 0.807
493 HH11 ARG 57 1HH1 ARG 57 -15.136 11.806 -0.645
494 HH12 ARG 57 2HH1 ARG 57 -16.447 12.830 -1.128
495 HH21 ARG 57 1HH2 ARG 57 -14.479 15.702 -1.464
496 HH22 ARG 57 2HH2 ARG 57 -16.075 15.033 -1.578
497 H GLN 58 H GLN 58 -9.553 9.851 -4.167
498 HA GLN 58 HA GLN 58 -8.898 11.719 -6.233
499 HB2 GLN 58 2HB GLN 58 -7.659 9.896 -7.322
500 HB3 GLN 58 1HB GLN 58 -7.334 9.924 -5.591
501 HG2 GLN 58 2HG GLN 58 -8.727 7.999 -5.210
502 HG3 GLN 58 1HG GLN 58 -9.348 8.039 -6.858
503 HE21 GLN 58 1HE2 GLN 58 -8.692 5.853 -7.089
504 HE22 GLN 58 2HE2 GLN 58 -7.041 5.439 -7.378
505 H GLU 59 H GLU 59 -11.388 9.300 -5.959
506 HA GLU 59 HA GLU 59 -12.168 9.360 -8.761
507 HB2 GLU 59 2HB GLU 59 -12.527 7.315 -7.309
508 HB3 GLU 59 1HB GLU 59 -13.624 8.255 -6.297
509 HG2 GLU 59 2HG GLU 59 -15.095 8.590 -8.299
510 HG3 GLU 59 1HG GLU 59 -14.035 7.516 -9.211
511 H GLN 60 H GLN 60 -12.872 11.359 -9.388
512 HA GLN 60 HA GLN 60 -14.951 12.713 -7.779
513 HB2 GLN 60 2HB GLN 60 -14.174 14.901 -8.592
514 HB3 GLN 60 1HB GLN 60 -12.894 14.062 -7.741
515 HG2 GLN 60 2HG GLN 60 -13.072 14.337 -10.764
516 HG3 GLN 60 1HG GLN 60 -12.109 15.373 -9.713
517 HE21 GLN 60 1HE2 GLN 60 -10.229 14.508 -8.729
518 HE22 GLN 60 2HE2 GLN 60 -9.471 13.081 -9.340
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 24.027 -5.396 -8.140
2 H2 GLY 1 2HT GLY 1 24.553 -3.804 -8.333
3 H3 GLY 1 3HT GLY 1 23.117 -4.317 -9.069
4 HA2 GLY 1 1HA GLY 1 22.632 -2.994 -7.132
5 HA3 GLY 1 2HA GLY 1 22.093 -4.656 -6.926
6 H SER 2 H SER 2 22.780 -2.639 -4.899
7 HA SER 2 HA SER 2 24.856 -4.136 -3.409
8 HG SER 2 HG SER 2 25.996 -2.870 -1.899
9 HB2 SER 2 2HB SER 2 25.770 -1.977 -4.275
10 HB3 SER 2 1HB SER 2 24.500 -1.102 -3.420
11 H GLU 3 H GLU 3 21.638 -2.910 -3.434
12 HA GLU 3 HA GLU 3 21.246 -3.575 -0.608
13 HB2 GLU 3 2HB GLU 3 20.091 -1.421 -0.120
14 HB3 GLU 3 1HB GLU 3 21.794 -1.192 -0.505
15 HG2 GLU 3 2HG GLU 3 21.286 -0.343 -2.692
16 HG3 GLU 3 1HG GLU 3 19.594 -0.812 -2.550
17 H HIS 4 H HIS 4 18.973 -3.681 -0.007
18 HA HIS 4 HA HIS 4 16.919 -3.570 -2.100
19 HD1 HIS 4 1HD HIS 4 18.974 -7.582 -1.532
20 HD2 HIS 4 2HD HIS 4 16.773 -5.373 -4.277
21 HE1 HIS 4 1HE HIS 4 19.659 -8.449 -3.788
22 HE2 HIS 4 2HE HIS 4 18.360 -7.064 -5.431
23 HB2 HIS 4 2HB HIS 4 17.410 -6.065 -0.399
24 HB3 HIS 4 1HB HIS 4 15.951 -5.794 -1.339
25 H VAL 5 H VAL 5 16.435 -1.622 -0.851
26 HA VAL 5 HA VAL 5 15.513 -1.970 1.905
27 HB VAL 5 HB VAL 5 15.166 0.501 1.946
28 HG11 VAL 5 1HG1 VAL 5 17.932 -0.341 0.988
29 HG12 VAL 5 2HG1 VAL 5 17.324 -0.474 2.641
30 HG13 VAL 5 3HG1 VAL 5 17.553 1.116 1.914
31 HG21 VAL 5 3HG2 VAL 5 15.975 1.936 0.085
32 HG22 VAL 5 1HG2 VAL 5 14.630 0.914 -0.434
33 HG23 VAL 5 2HG2 VAL 5 16.281 0.499 -0.896
34 H PHE 6 H PHE 6 13.509 -2.481 2.368
35 HA PHE 6 HA PHE 6 11.313 -2.054 0.448
36 HD1 PHE 6 2HD PHE 6 13.495 -5.102 1.762
37 HD2 PHE 6 1HD PHE 6 9.739 -4.634 -0.242
38 HE1 PHE 6 2HE PHE 6 14.138 -6.829 0.132
39 HE2 PHE 6 1HE PHE 6 10.395 -6.363 -1.862
40 HZ PHE 6 HZ PHE 6 12.592 -7.460 -1.676
41 HB2 PHE 6 2HB PHE 6 11.591 -3.912 2.844
42 HB3 PHE 6 1HB PHE 6 10.080 -3.684 1.970
43 H ALA 7 H ALA 7 10.616 -0.030 0.787
44 HA ALA 7 HA ALA 7 9.348 0.606 3.378
45 HB1 ALA 7 1HB ALA 7 11.027 2.537 1.712
46 HB2 ALA 7 2HB ALA 7 11.477 1.856 3.277
47 HB3 ALA 7 3HB ALA 7 10.105 2.958 3.161
48 H VAL 8 H VAL 8 7.263 1.263 3.107
49 HA VAL 8 HA VAL 8 6.115 1.255 0.462
50 HB VAL 8 HB VAL 8 4.742 1.981 3.087
51 HG11 VAL 8 1HG1 VAL 8 3.537 1.166 0.403
52 HG12 VAL 8 2HG1 VAL 8 3.480 2.778 1.122
53 HG13 VAL 8 3HG1 VAL 8 2.625 1.442 1.893
54 HG21 VAL 8 3HG2 VAL 8 5.678 -0.294 3.235
55 HG22 VAL 8 1HG2 VAL 8 4.886 -0.739 1.718
56 HG23 VAL 8 2HG2 VAL 8 3.917 -0.354 3.143
57 H GLU 9 H GLU 9 5.725 2.923 -0.772
58 HA GLU 9 HA GLU 9 6.554 5.620 -0.098
59 HB2 GLU 9 2HB GLU 9 7.288 4.619 -2.242
60 HB3 GLU 9 1HB GLU 9 5.620 4.354 -2.717
61 HG2 GLU 9 2HG GLU 9 6.530 6.239 -3.920
62 HG3 GLU 9 1HG GLU 9 5.259 6.792 -2.830
63 H SER 10 H SER 10 3.690 3.866 -1.254
64 HA SER 10 HA SER 10 1.789 5.560 0.015
65 HG SER 10 HG SER 10 0.413 7.457 -2.661
66 HB2 SER 10 2HB SER 10 2.538 7.042 -1.924
67 HB3 SER 10 1HB SER 10 1.935 5.806 -3.030
68 H ILE 11 H ILE 11 -0.471 4.960 -0.694
69 HA ILE 11 HA ILE 11 -0.647 2.103 -1.465
70 HB ILE 11 HB ILE 11 -2.642 3.867 0.032
71 HG12 ILE 11 2HG1 ILE 11 -1.060 1.418 0.957
72 HG13 ILE 11 1HG1 ILE 11 -0.633 3.083 1.339
73 HG21 ILE 11 1HG2 ILE 11 -2.956 0.934 -0.756
74 HG22 ILE 11 2HG2 ILE 11 -3.872 2.284 -1.429
75 HG23 ILE 11 3HG2 ILE 11 -4.066 1.849 0.269
76 HD11 ILE 11 3HD1 ILE 11 -2.700 3.316 2.619
77 HD12 ILE 11 1HD1 ILE 11 -1.713 1.980 3.205
78 HD13 ILE 11 2HD1 ILE 11 -3.140 1.651 2.221
79 H GLU 12 H GLU 12 -1.198 1.699 -3.470
80 HA GLU 12 HA GLU 12 -1.968 3.871 -5.273
81 HB2 GLU 12 2HB GLU 12 -1.047 1.014 -5.831
82 HB3 GLU 12 1HB GLU 12 -1.345 2.236 -7.067
83 HG2 GLU 12 2HG GLU 12 0.774 2.384 -4.896
84 HG3 GLU 12 1HG GLU 12 1.056 1.985 -6.589
85 H LYS 13 H LYS 13 -3.173 0.749 -4.196
86 HA LYS 13 HA LYS 13 -5.877 1.327 -5.116
87 HB2 LYS 13 2HB LYS 13 -4.102 -0.799 -6.317
88 HB3 LYS 13 1HB LYS 13 -5.788 -1.210 -6.088
89 HG2 LYS 13 2HG LYS 13 -6.497 0.068 -7.835
90 HG3 LYS 13 1HG LYS 13 -5.378 1.381 -7.485
91 HD2 LYS 13 2HD LYS 13 -4.491 -1.234 -8.781
92 HD3 LYS 13 1HD LYS 13 -5.037 0.165 -9.715
93 HE2 LYS 13 2HE LYS 13 -3.220 1.516 -8.614
94 HE3 LYS 13 1HE LYS 13 -2.639 0.033 -7.855
95 HZ1 LYS 13 3HZ LYS 13 -2.276 -0.884 -10.064
96 HZ2 LYS 13 1HZ LYS 13 -1.409 0.548 -9.838
97 HZ3 LYS 13 2HZ LYS 13 -2.820 0.556 -10.767
98 H LYS 14 H LYS 14 -7.424 -0.227 -4.217
99 HA LYS 14 HA LYS 14 -6.561 -2.046 -2.157
100 HB2 LYS 14 2HB LYS 14 -7.575 -0.970 -0.250
101 HB3 LYS 14 1HB LYS 14 -6.417 0.127 -0.961
102 HG2 LYS 14 2HG LYS 14 -8.131 1.564 -0.406
103 HG3 LYS 14 1HG LYS 14 -8.515 1.224 -2.091
104 HD2 LYS 14 2HD LYS 14 -10.336 -0.195 -1.511
105 HD3 LYS 14 1HD LYS 14 -9.776 -0.387 0.152
106 HE2 LYS 14 2HE LYS 14 -11.773 1.056 -0.003
107 HE3 LYS 14 1HE LYS 14 -10.392 1.924 0.657
108 HZ1 LYS 14 3HZ LYS 14 -11.464 3.330 -0.883
109 HZ2 LYS 14 1HZ LYS 14 -11.513 2.132 -2.068
110 HZ3 LYS 14 2HZ LYS 14 -10.035 2.815 -1.627
111 H ARG 15 H ARG 15 -8.472 -2.972 -0.968
112 HA ARG 15 HA ARG 15 -11.057 -2.905 -2.261
113 HE ARG 15 HE ARG 15 -8.068 -4.678 -4.701
114 HB2 ARG 15 2HB ARG 15 -11.129 -5.333 -2.806
115 HB3 ARG 15 1HB ARG 15 -9.931 -4.493 -3.786
116 HG2 ARG 15 2HG ARG 15 -9.062 -5.881 -1.234
117 HG3 ARG 15 1HG ARG 15 -9.349 -6.836 -2.693
118 HD2 ARG 15 2HD ARG 15 -7.387 -4.526 -2.406
119 HD3 ARG 15 1HD ARG 15 -6.970 -6.251 -2.445
120 HH11 ARG 15 1HH1 ARG 15 -6.292 -7.500 -3.588
121 HH12 ARG 15 2HH1 ARG 15 -5.999 -8.084 -5.192
122 HH21 ARG 15 1HH2 ARG 15 -7.674 -5.454 -6.777
123 HH22 ARG 15 2HH2 ARG 15 -6.781 -6.924 -7.000
124 H ILE 16 H ILE 16 -12.646 -3.552 -0.821
125 HA ILE 16 HA ILE 16 -11.828 -5.036 1.604
126 HB ILE 16 HB ILE 16 -14.393 -3.462 1.060
127 HG12 ILE 16 2HG1 ILE 16 -12.141 -3.086 3.059
128 HG13 ILE 16 1HG1 ILE 16 -12.417 -2.079 1.641
129 HG21 ILE 16 1HG2 ILE 16 -13.691 -5.134 3.520
130 HG22 ILE 16 2HG2 ILE 16 -14.958 -5.503 2.347
131 HG23 ILE 16 3HG2 ILE 16 -15.094 -4.076 3.372
132 HD11 ILE 16 3HD1 ILE 16 -13.133 -0.959 3.657
133 HD12 ILE 16 1HD1 ILE 16 -14.200 -2.302 4.064
134 HD13 ILE 16 2HD1 ILE 16 -14.529 -1.309 2.641
135 H ARG 17 H ARG 17 -12.121 -7.101 1.564
136 HA ARG 17 HA ARG 17 -14.569 -8.288 0.636
137 HE ARG 17 HE ARG 17 -14.941 -11.557 -3.577
138 HB2 ARG 17 2HB ARG 17 -12.959 -8.339 -1.383
139 HB3 ARG 17 1HB ARG 17 -11.950 -9.444 -0.448
140 HG2 ARG 17 2HG ARG 17 -13.820 -11.062 -0.337
141 HG3 ARG 17 1HG ARG 17 -14.845 -9.949 -1.248
142 HD2 ARG 17 2HD ARG 17 -13.180 -10.117 -3.152
143 HD3 ARG 17 1HD ARG 17 -12.353 -11.383 -2.234
144 HH11 ARG 17 1HH1 ARG 17 -12.732 -13.190 -1.354
145 HH12 ARG 17 2HH1 ARG 17 -13.421 -14.752 -1.658
146 HH21 ARG 17 1HH2 ARG 17 -15.810 -13.598 -3.947
147 HH22 ARG 17 2HH2 ARG 17 -15.151 -14.981 -3.137
148 H LYS 18 H LYS 18 -14.995 -10.265 1.667
149 HA LYS 18 HA LYS 18 -15.103 -11.670 3.437
150 HB2 LYS 18 2HB LYS 18 -12.906 -12.466 2.395
151 HB3 LYS 18 1HB LYS 18 -12.055 -11.478 3.576
152 HG2 LYS 18 2HG LYS 18 -13.016 -12.850 5.403
153 HG3 LYS 18 1HG LYS 18 -13.872 -13.838 4.212
154 HD2 LYS 18 2HD LYS 18 -10.840 -13.559 4.458
155 HD3 LYS 18 1HD LYS 18 -11.794 -14.942 4.998
156 HE2 LYS 18 2HE LYS 18 -11.485 -14.008 2.118
157 HE3 LYS 18 1HE LYS 18 -10.697 -15.406 2.846
158 HZ1 LYS 18 3HZ LYS 18 -12.634 -16.021 1.539
159 HZ2 LYS 18 1HZ LYS 18 -13.625 -15.074 2.521
160 HZ3 LYS 18 2HZ LYS 18 -12.852 -16.430 3.164
161 H GLY 19 H GLY 19 -15.178 -8.760 3.752
162 HA2 GLY 19 2HA GLY 19 -15.399 -7.154 5.360
163 HA3 GLY 19 1HA GLY 19 -15.268 -8.430 6.558
164 H ARG 20 H ARG 20 -12.688 -7.957 4.277
165 HA ARG 20 HA ARG 20 -10.942 -6.660 6.294
166 HE ARG 20 HE ARG 20 -11.223 -10.557 8.879
167 HB2 ARG 20 2HB ARG 20 -10.229 -9.093 4.570
168 HB3 ARG 20 1HB ARG 20 -9.111 -8.236 5.629
169 HG2 ARG 20 2HG ARG 20 -11.577 -9.775 6.539
170 HG3 ARG 20 1HG ARG 20 -9.911 -10.362 6.617
171 HD2 ARG 20 2HD ARG 20 -9.331 -8.567 8.186
172 HD3 ARG 20 1HD ARG 20 -10.968 -7.908 8.074
173 HH11 ARG 20 1HH1 ARG 20 -9.812 -7.630 10.205
174 HH12 ARG 20 2HH1 ARG 20 -10.075 -8.120 11.846
175 HH21 ARG 20 1HH2 ARG 20 -11.574 -11.164 11.033
176 HH22 ARG 20 2HH2 ARG 20 -11.057 -10.114 12.316
177 H VAL 21 H VAL 21 -9.652 -5.063 5.428
178 HA VAL 21 HA VAL 21 -9.790 -4.674 2.512
179 HB VAL 21 HB VAL 21 -10.609 -2.768 3.775
180 HG11 VAL 21 1HG1 VAL 21 -9.214 -1.389 5.225
181 HG12 VAL 21 2HG1 VAL 21 -7.874 -2.524 5.029
182 HG13 VAL 21 3HG1 VAL 21 -9.348 -3.036 5.851
183 HG21 VAL 21 3HG2 VAL 21 -9.265 -0.977 2.730
184 HG22 VAL 21 1HG2 VAL 21 -9.511 -2.331 1.621
185 HG23 VAL 21 2HG2 VAL 21 -7.960 -2.132 2.443
186 H GLU 22 H GLU 22 -8.054 -4.534 1.241
187 HA GLU 22 HA GLU 22 -5.367 -5.188 2.302
188 HB2 GLU 22 2HB GLU 22 -6.388 -7.189 1.298
189 HB3 GLU 22 1HB GLU 22 -6.805 -6.291 -0.157
190 HG2 GLU 22 2HG GLU 22 -4.397 -6.046 -0.674
191 HG3 GLU 22 1HG GLU 22 -4.005 -6.972 0.780
192 H TYR 23 H TYR 23 -3.616 -4.292 1.051
193 HA TYR 23 HA TYR 23 -4.298 -1.874 -0.502
194 HD1 TYR 23 2HD TYR 23 -5.462 -0.535 0.588
195 HD2 TYR 23 1HD TYR 23 -3.000 -1.366 3.968
196 HE1 TYR 23 2HE TYR 23 -7.192 0.358 2.072
197 HE2 TYR 23 1HE TYR 23 -4.733 -0.469 5.463
198 HH TYR 23 HH TYR 23 -6.618 1.045 5.385
199 HB2 TYR 23 2HB TYR 23 -2.308 -2.107 1.808
200 HB3 TYR 23 1HB TYR 23 -2.515 -0.677 0.800
201 H LEU 24 H LEU 24 -3.128 -1.720 -2.359
202 HA LEU 24 HA LEU 24 -0.769 -3.324 -2.857
203 HG LEU 24 HG LEU 24 0.419 -1.563 -5.150
204 HB2 LEU 24 2HB LEU 24 -2.360 -2.731 -4.697
205 HB3 LEU 24 1HB LEU 24 -1.944 -1.036 -4.496
206 HD11 LEU 24 1HD1 LEU 24 0.527 -3.899 -4.462
207 HD12 LEU 24 2HD1 LEU 24 0.964 -3.729 -6.161
208 HD13 LEU 24 3HD1 LEU 24 -0.633 -4.347 -5.718
209 HD21 LEU 24 3HD2 LEU 24 -1.648 -2.414 -7.198
210 HD22 LEU 24 1HD2 LEU 24 0.001 -1.881 -7.540
211 HD23 LEU 24 2HD2 LEU 24 -1.159 -0.753 -6.842
212 H VAL 25 H VAL 25 0.972 -2.761 -1.729
213 HA VAL 25 HA VAL 25 1.563 -0.004 -1.004
214 HB VAL 25 HB VAL 25 3.414 -0.956 0.310
215 HG11 VAL 25 1HG1 VAL 25 1.176 -0.850 1.336
216 HG12 VAL 25 2HG1 VAL 25 2.065 -2.249 1.941
217 HG13 VAL 25 3HG1 VAL 25 0.799 -2.468 0.730
218 HG21 VAL 25 3HG2 VAL 25 2.572 -3.681 -0.761
219 HG22 VAL 25 1HG2 VAL 25 3.761 -3.408 0.515
220 HG23 VAL 25 2HG2 VAL 25 4.082 -2.850 -1.126
221 H LYS 26 H LYS 26 2.557 1.238 -2.366
222 HA LYS 26 HA LYS 26 4.127 0.342 -4.602
223 HB2 LYS 26 2HB LYS 26 2.759 2.447 -4.686
224 HB3 LYS 26 1HB LYS 26 3.784 3.151 -3.443
225 HG2 LYS 26 2HG LYS 26 4.441 4.018 -5.612
226 HG3 LYS 26 1HG LYS 26 5.730 2.992 -4.972
227 HD2 LYS 26 2HD LYS 26 4.784 1.103 -6.395
228 HD3 LYS 26 1HD LYS 26 3.718 2.287 -7.143
229 HE2 LYS 26 2HE LYS 26 5.668 1.892 -8.559
230 HE3 LYS 26 1HE LYS 26 5.730 3.540 -7.934
231 HZ1 LYS 26 3HZ LYS 26 7.882 2.445 -7.801
232 HZ2 LYS 26 1HZ LYS 26 7.234 1.223 -6.837
233 HZ3 LYS 26 2HZ LYS 26 7.310 2.805 -6.257
234 H TRP 27 H TRP 27 5.907 -0.806 -3.742
235 HA TRP 27 HA TRP 27 7.590 0.175 -1.661
236 HD1 TRP 27 HD TRP 27 6.630 -3.861 -3.529
237 HE1 TRP 27 1HE TRP 27 5.715 -5.183 -1.533
238 HE3 TRP 27 3HE TRP 27 8.521 -1.024 0.259
239 HZ2 TRP 27 2HZ TRP 27 5.780 -5.057 1.261
240 HZ3 TRP 27 3HZ TRP 27 8.042 -1.691 2.573
241 HH2 TRP 27 HH TRP 27 6.701 -3.666 3.069
242 HB2 TRP 27 2HB TRP 27 8.193 -1.850 -3.865
243 HB3 TRP 27 1HB TRP 27 9.250 -1.533 -2.494
244 H ARG 28 H ARG 28 8.809 1.958 -1.778
245 HA ARG 28 HA ARG 28 9.462 3.292 -4.220
246 HE ARG 28 HE ARG 28 9.247 6.074 -0.793
247 HB2 ARG 28 2HB ARG 28 10.838 4.830 -2.776
248 HB3 ARG 28 1HB ARG 28 9.158 4.683 -2.281
249 HG2 ARG 28 2HG ARG 28 9.747 3.310 -0.384
250 HG3 ARG 28 1HG ARG 28 11.410 3.144 -0.953
251 HD2 ARG 28 2HD ARG 28 11.144 4.756 0.945
252 HD3 ARG 28 1HD ARG 28 11.877 5.471 -0.492
253 HH11 ARG 28 1HH1 ARG 28 11.447 6.543 1.903
254 HH12 ARG 28 2HH1 ARG 28 10.703 8.024 2.396
255 HH21 ARG 28 1HH2 ARG 28 8.302 8.026 -0.135
256 HH22 ARG 28 2HH2 ARG 28 8.919 8.864 1.250
257 H GLY 29 H GLY 29 11.309 3.282 -5.398
258 HA2 GLY 29 2HA GLY 29 13.404 2.665 -6.152
259 HA3 GLY 29 1HA GLY 29 13.723 1.873 -4.616
260 H TRP 30 H TRP 30 10.749 0.844 -5.729
261 HA TRP 30 HA TRP 30 11.823 -1.446 -7.262
262 HD1 TRP 30 HD TRP 30 11.396 -0.859 -3.192
263 HE1 TRP 30 1HE TRP 30 13.198 -2.279 -2.050
264 HE3 TRP 30 3HE TRP 30 11.682 -4.728 -6.552
265 HZ2 TRP 30 2HZ TRP 30 14.558 -4.691 -2.474
266 HZ3 TRP 30 3HZ TRP 30 13.264 -6.560 -6.092
267 HH2 TRP 30 HH TRP 30 14.673 -6.539 -4.093
268 HB2 TRP 30 2HB TRP 30 9.597 -1.498 -5.168
269 HB3 TRP 30 1HB TRP 30 10.015 -2.848 -6.213
270 H SER 31 H SER 31 10.676 -2.056 -9.033
271 HA SER 31 HA SER 31 9.044 -0.163 -10.361
272 HG SER 31 HG SER 31 11.062 -0.759 -11.506
273 HB2 SER 31 2HB SER 31 9.533 -3.095 -11.036
274 HB3 SER 31 1HB SER 31 8.995 -1.840 -12.157
275 HA PRO 32 HA PRO 32 4.754 -1.094 -9.387
276 HB2 PRO 32 2HB PRO 32 3.701 -1.705 -11.960
277 HB3 PRO 32 1HB PRO 32 3.798 -0.101 -11.222
278 HG2 PRO 32 2HG PRO 32 5.705 -1.439 -13.129
279 HG3 PRO 32 1HG PRO 32 5.147 0.247 -13.098
280 HD2 PRO 32 2HD PRO 32 7.567 -0.328 -12.190
281 HD3 PRO 32 1HD PRO 32 6.554 0.809 -11.273
282 H LYS 33 H LYS 33 6.442 -3.514 -11.374
283 HA LYS 33 HA LYS 33 4.536 -5.635 -10.852
284 HB2 LYS 33 2HB LYS 33 6.067 -7.099 -12.047
285 HB3 LYS 33 1HB LYS 33 5.870 -5.596 -12.941
286 HG2 LYS 33 2HG LYS 33 8.058 -4.823 -12.304
287 HG3 LYS 33 1HG LYS 33 8.246 -6.121 -11.122
288 HD2 LYS 33 2HD LYS 33 8.058 -6.525 -14.140
289 HD3 LYS 33 1HD LYS 33 9.558 -6.519 -13.205
290 HE2 LYS 33 2HE LYS 33 8.824 -8.504 -11.958
291 HE3 LYS 33 1HE LYS 33 7.268 -8.479 -12.791
292 HZ1 LYS 33 3HZ LYS 33 8.799 -10.106 -13.704
293 HZ2 LYS 33 1HZ LYS 33 9.892 -8.885 -14.103
294 HZ3 LYS 33 2HZ LYS 33 8.378 -8.944 -14.853
295 H TYR 34 H TYR 34 7.150 -4.317 -9.067
296 HA TYR 34 HA TYR 34 7.581 -6.762 -7.467
297 HD1 TYR 34 1HD TYR 34 10.018 -7.731 -7.434
298 HD2 TYR 34 2HD TYR 34 10.188 -4.087 -9.657
299 HE1 TYR 34 1HE TYR 34 11.482 -8.803 -9.079
300 HE2 TYR 34 2HE TYR 34 11.655 -5.169 -11.312
301 HH TYR 34 HH TYR 34 13.189 -7.082 -11.442
302 HB2 TYR 34 2HB TYR 34 9.072 -4.098 -7.546
303 HB3 TYR 34 1HB TYR 34 9.446 -5.388 -6.408
304 H ASN 35 H ASN 35 5.310 -4.486 -7.468
305 HA ASN 35 HA ASN 35 5.307 -3.798 -4.622
306 HB2 ASN 35 2HB ASN 35 3.382 -2.996 -6.827
307 HB3 ASN 35 1HB ASN 35 3.390 -2.359 -5.183
308 HD21 ASN 35 1HD2 ASN 35 6.411 -2.269 -5.115
309 HD22 ASN 35 2HD2 ASN 35 6.829 -0.921 -6.105
310 H THR 36 H THR 36 3.893 -4.624 -3.138
311 HA THR 36 HA THR 36 2.481 -7.090 -3.977
312 HB THR 36 HB THR 36 2.991 -7.930 -1.671
313 HG1 THR 36 1HG THR 36 3.400 -6.298 -0.361
314 HG21 THR 36 3HG2 THR 36 5.407 -8.329 -2.003
315 HG22 THR 36 1HG2 THR 36 5.466 -7.030 -3.196
316 HG23 THR 36 2HG2 THR 36 4.535 -8.494 -3.532
317 H TRP 37 H TRP 37 0.548 -7.621 -3.046
318 HA TRP 37 HA TRP 37 -1.098 -5.560 -1.823
319 HD1 TRP 37 HD TRP 37 -1.102 -8.114 -5.258
320 HE1 TRP 37 1HE TRP 37 -2.157 -6.687 -7.114
321 HE3 TRP 37 3HE TRP 37 -3.976 -5.009 -2.375
322 HZ2 TRP 37 2HZ TRP 37 -3.938 -4.520 -7.345
323 HZ3 TRP 37 3HZ TRP 37 -5.319 -3.273 -3.492
324 HH2 TRP 37 HH TRP 37 -5.302 -3.039 -5.929
325 HB2 TRP 37 2HB TRP 37 -1.670 -8.432 -2.677
326 HB3 TRP 37 1HB TRP 37 -2.870 -7.358 -1.982
327 H GLU 38 H GLU 38 -1.096 -5.290 0.326
328 HA GLU 38 HA GLU 38 -0.313 -7.448 2.195
329 HB2 GLU 38 2HB GLU 38 0.202 -4.441 2.439
330 HB3 GLU 38 1HB GLU 38 0.729 -5.671 3.585
331 HG2 GLU 38 2HG GLU 38 1.702 -5.366 0.724
332 HG3 GLU 38 1HG GLU 38 2.561 -4.834 2.163
333 HA PRO 39 HA PRO 39 -4.286 -6.587 4.207
334 HB2 PRO 39 2HB PRO 39 -3.755 -7.222 6.832
335 HB3 PRO 39 1HB PRO 39 -3.943 -8.443 5.564
336 HG2 PRO 39 2HG PRO 39 -1.396 -7.239 6.666
337 HG3 PRO 39 1HG PRO 39 -1.788 -8.952 6.394
338 HD2 PRO 39 2HD PRO 39 -0.303 -7.588 4.612
339 HD3 PRO 39 1HD PRO 39 -1.500 -8.783 4.065
340 H GLU 40 H GLU 40 -5.315 -5.235 5.845
341 HA GLU 40 HA GLU 40 -4.594 -2.559 5.829
342 HB2 GLU 40 2HB GLU 40 -6.868 -3.245 6.252
343 HB3 GLU 40 1HB GLU 40 -6.415 -4.113 7.700
344 HG2 GLU 40 2HG GLU 40 -5.790 -1.860 8.732
345 HG3 GLU 40 1HG GLU 40 -6.488 -1.105 7.297
346 H GLU 41 H GLU 41 -4.108 -4.942 8.381
347 HA GLU 41 HA GLU 41 -3.057 -3.257 10.398
348 HB2 GLU 41 2HB GLU 41 -2.340 -5.433 11.465
349 HB3 GLU 41 1HB GLU 41 -4.039 -5.373 11.002
350 HG2 GLU 41 2HG GLU 41 -3.581 -6.733 9.012
351 HG3 GLU 41 1HG GLU 41 -1.855 -6.733 9.387
352 H ASN 42 H ASN 42 -1.559 -4.604 7.571
353 HA ASN 42 HA ASN 42 1.162 -4.667 8.517
354 HB2 ASN 42 2HB ASN 42 0.227 -6.019 6.553
355 HB3 ASN 42 1HB ASN 42 0.217 -4.534 5.616
356 HD21 ASN 42 1HD2 ASN 42 1.712 -7.130 5.354
357 HD22 ASN 42 2HD2 ASN 42 3.355 -6.651 5.142
358 H ILE 43 H ILE 43 -0.955 -2.316 6.977
359 HA ILE 43 HA ILE 43 1.073 -0.222 6.904
360 HB ILE 43 HB ILE 43 -1.931 -0.056 6.375
361 HG12 ILE 43 2HG1 ILE 43 -0.825 -1.440 4.688
362 HG13 ILE 43 1HG1 ILE 43 -1.253 0.104 3.963
363 HG21 ILE 43 1HG2 ILE 43 0.226 2.048 5.893
364 HG22 ILE 43 2HG2 ILE 43 -1.067 2.130 7.094
365 HG23 ILE 43 3HG2 ILE 43 -1.460 2.166 5.376
366 HD11 ILE 43 3HD1 ILE 43 0.909 -0.567 3.201
367 HD12 ILE 43 1HD1 ILE 43 1.487 -0.789 4.850
368 HD13 ILE 43 2HD1 ILE 43 1.112 0.831 4.252
369 H LEU 44 H LEU 44 1.739 0.013 8.961
370 HA LEU 44 HA LEU 44 -0.189 0.841 11.058
371 HG LEU 44 HG LEU 44 1.639 -1.123 13.662
372 HB2 LEU 44 2HB LEU 44 1.785 -1.142 11.193
373 HB3 LEU 44 1HB LEU 44 2.619 0.222 11.901
374 HD11 LEU 44 1HD1 LEU 44 0.004 1.413 13.423
375 HD12 LEU 44 2HD1 LEU 44 1.644 1.287 14.060
376 HD13 LEU 44 3HD1 LEU 44 0.318 0.487 14.898
377 HD21 LEU 44 3HD2 LEU 44 -0.762 -1.578 13.861
378 HD22 LEU 44 1HD2 LEU 44 -0.109 -2.240 12.363
379 HD23 LEU 44 2HD2 LEU 44 -1.063 -0.756 12.325
380 H ASP 45 H ASP 45 0.693 2.533 8.899
381 HA ASP 45 HA ASP 45 2.275 4.594 10.310
382 HB2 ASP 45 2HB ASP 45 3.625 3.408 8.569
383 HB3 ASP 45 1HB ASP 45 2.440 3.866 7.352
384 HA PRO 46 HA PRO 46 -1.558 6.779 9.527
385 HB2 PRO 46 2HB PRO 46 -0.936 9.216 10.535
386 HB3 PRO 46 1HB PRO 46 -1.104 7.792 11.578
387 HG2 PRO 46 2HG PRO 46 1.419 9.032 10.460
388 HG3 PRO 46 1HG PRO 46 1.083 8.515 12.126
389 HD2 PRO 46 2HD PRO 46 2.479 6.963 10.369
390 HD3 PRO 46 1HD PRO 46 1.440 6.260 11.632
391 H ARG 47 H ARG 47 1.476 7.917 8.198
392 HA ARG 47 HA ARG 47 0.431 9.994 6.496
393 HE ARG 47 HE ARG 47 4.624 8.206 8.053
394 HB2 ARG 47 2HB ARG 47 3.106 8.526 6.458
395 HB3 ARG 47 1HB ARG 47 2.743 9.998 5.557
396 HG2 ARG 47 2HG ARG 47 2.623 11.319 7.528
397 HG3 ARG 47 1HG ARG 47 2.495 9.902 8.572
398 HD2 ARG 47 2HD ARG 47 4.979 10.520 6.943
399 HD3 ARG 47 1HD ARG 47 4.726 11.117 8.586
400 HH11 ARG 47 1HH1 ARG 47 6.241 10.920 9.617
401 HH12 ARG 47 2HH1 ARG 47 7.211 9.901 10.625
402 HH21 ARG 47 1HH2 ARG 47 5.910 6.911 9.409
403 HH22 ARG 47 2HH2 ARG 47 7.021 7.646 10.510
404 H LEU 48 H LEU 48 1.192 6.572 6.170
405 HA LEU 48 HA LEU 48 0.581 6.349 3.367
406 HG LEU 48 HG LEU 48 2.912 5.237 5.208
407 HB2 LEU 48 2HB LEU 48 0.672 4.231 5.546
408 HB3 LEU 48 1HB LEU 48 0.552 3.896 3.821
409 HD11 LEU 48 1HD1 LEU 48 4.145 3.173 4.728
410 HD12 LEU 48 2HD1 LEU 48 2.680 2.431 4.076
411 HD13 LEU 48 3HD1 LEU 48 2.762 2.878 5.782
412 HD21 LEU 48 3HD2 LEU 48 2.659 6.098 2.937
413 HD22 LEU 48 1HD2 LEU 48 2.596 4.456 2.285
414 HD23 LEU 48 2HD2 LEU 48 4.076 5.059 3.040
415 H LEU 49 H LEU 49 -1.271 6.118 6.384
416 HA LEU 49 HA LEU 49 -3.753 5.294 5.219
417 HG LEU 49 HG LEU 49 -2.306 4.543 7.939
418 HB2 LEU 49 2HB LEU 49 -3.216 6.838 7.788
419 HB3 LEU 49 1HB LEU 49 -4.792 6.202 7.330
420 HD11 LEU 49 1HD1 LEU 49 -3.505 3.818 9.951
421 HD12 LEU 49 2HD1 LEU 49 -4.847 4.898 9.563
422 HD13 LEU 49 3HD1 LEU 49 -3.256 5.563 9.942
423 HD21 LEU 49 3HD2 LEU 49 -3.771 2.565 7.765
424 HD22 LEU 49 1HD2 LEU 49 -3.658 3.429 6.233
425 HD23 LEU 49 2HD2 LEU 49 -5.106 3.590 7.229
426 H ILE 50 H ILE 50 -2.194 8.462 5.673
427 HA ILE 50 HA ILE 50 -4.321 10.100 4.731
428 HB ILE 50 HB ILE 50 -1.301 10.546 4.574
429 HG12 ILE 50 2HG1 ILE 50 -3.355 11.715 6.510
430 HG13 ILE 50 1HG1 ILE 50 -2.246 10.405 6.888
431 HG21 ILE 50 1HG2 ILE 50 -1.770 12.940 4.137
432 HG22 ILE 50 2HG2 ILE 50 -3.495 12.586 4.026
433 HG23 ILE 50 3HG2 ILE 50 -2.378 11.913 2.836
434 HD11 ILE 50 3HD1 ILE 50 -1.476 12.505 7.815
435 HD12 ILE 50 1HD1 ILE 50 -1.462 13.239 6.211
436 HD13 ILE 50 2HD1 ILE 50 -0.348 11.922 6.592
437 H ALA 51 H ALA 51 -1.576 8.538 3.077
438 HA ALA 51 HA ALA 51 -2.078 9.321 0.427
439 HB1 ALA 51 1HB ALA 51 -0.681 7.395 -0.227
440 HB2 ALA 51 2HB ALA 51 -0.820 6.731 1.405
441 HB3 ALA 51 3HB ALA 51 0.019 8.257 1.140
442 H PHE 52 H PHE 52 -3.300 6.608 2.292
443 HA PHE 52 HA PHE 52 -4.769 5.190 0.359
444 HD1 PHE 52 2HD PHE 52 -6.446 3.146 0.859
445 HD2 PHE 52 1HD PHE 52 -6.731 5.151 4.626
446 HE1 PHE 52 2HE PHE 52 -8.648 2.148 1.247
447 HE2 PHE 52 1HE PHE 52 -8.940 4.144 4.990
448 HZ PHE 52 HZ PHE 52 -9.897 2.640 3.299
449 HB2 PHE 52 2HB PHE 52 -4.350 4.058 2.386
450 HB3 PHE 52 1HB PHE 52 -4.811 5.432 3.372
451 H GLN 53 H GLN 53 -5.812 7.685 2.690
452 HA GLN 53 HA GLN 53 -8.515 7.864 1.907
453 HB2 GLN 53 2HB GLN 53 -6.718 9.915 3.283
454 HB3 GLN 53 1HB GLN 53 -8.454 10.129 3.066
455 HG2 GLN 53 2HG GLN 53 -7.158 7.879 4.629
456 HG3 GLN 53 1HG GLN 53 -7.862 9.331 5.330
457 HE21 GLN 53 1HE2 GLN 53 -10.188 9.372 3.536
458 HE22 GLN 53 2HE2 GLN 53 -11.199 8.062 4.013
459 H ASN 54 H ASN 54 -5.646 9.661 0.853
460 HA ASN 54 HA ASN 54 -6.942 11.615 -0.745
461 HB2 ASN 54 2HB ASN 54 -4.055 10.642 -0.662
462 HB3 ASN 54 1HB ASN 54 -4.579 11.922 -1.758
463 HD21 ASN 54 1HD2 ASN 54 -3.169 13.368 -0.739
464 HD22 ASN 54 2HD2 ASN 54 -3.505 14.050 0.812
465 H ARG 55 H ARG 55 -5.536 8.449 -1.430
466 HA ARG 55 HA ARG 55 -5.667 8.438 -4.240
467 HE ARG 55 HE ARG 55 -3.193 6.036 -4.981
468 HB2 ARG 55 2HB ARG 55 -4.330 6.784 -3.091
469 HB3 ARG 55 1HB ARG 55 -5.719 6.180 -2.201
470 HG2 ARG 55 2HG ARG 55 -5.032 4.617 -3.959
471 HG3 ARG 55 1HG ARG 55 -6.660 5.228 -4.252
472 HD2 ARG 55 2HD ARG 55 -5.545 5.196 -6.359
473 HD3 ARG 55 1HD ARG 55 -5.637 6.889 -5.877
474 HH11 ARG 55 1HH1 ARG 55 -4.759 6.190 -8.127
475 HH12 ARG 55 2HH1 ARG 55 -3.266 6.311 -8.996
476 HH21 ARG 55 1HH2 ARG 55 -1.251 6.153 -6.141
477 HH22 ARG 55 2HH2 ARG 55 -1.276 6.243 -7.868
478 H GLU 56 H GLU 56 -8.042 7.395 -1.792
479 HA GLU 56 HA GLU 56 -10.004 6.592 -3.802
480 HB2 GLU 56 2HB GLU 56 -11.376 5.874 -1.912
481 HB3 GLU 56 1HB GLU 56 -9.730 5.287 -1.709
482 HG2 GLU 56 2HG GLU 56 -9.287 7.068 -0.077
483 HG3 GLU 56 1HG GLU 56 -10.924 7.685 -0.287
484 H ARG 57 H ARG 57 -9.188 9.507 -2.189
485 HA ARG 57 HA ARG 57 -11.894 10.662 -2.343
486 HE ARG 57 HE ARG 57 -12.748 14.153 1.107
487 HB2 ARG 57 2HB ARG 57 -10.317 10.888 -0.299
488 HB3 ARG 57 1HB ARG 57 -9.391 12.029 -1.265
489 HG2 ARG 57 2HG ARG 57 -11.388 13.483 -1.431
490 HG3 ARG 57 1HG ARG 57 -12.307 12.322 -0.467
491 HD2 ARG 57 2HD ARG 57 -10.700 12.681 1.414
492 HD3 ARG 57 1HD ARG 57 -9.885 13.914 0.441
493 HH11 ARG 57 1HH1 ARG 57 -9.514 15.522 1.263
494 HH12 ARG 57 2HH1 ARG 57 -10.056 17.006 1.976
495 HH21 ARG 57 1HH2 ARG 57 -13.441 16.087 2.025
496 HH22 ARG 57 2HH2 ARG 57 -12.288 17.330 2.395
497 H GLN 58 H GLN 58 -9.494 10.228 -4.525
498 HA GLN 58 HA GLN 58 -9.043 12.708 -5.759
499 HB2 GLN 58 2HB GLN 58 -9.229 9.929 -6.985
500 HB3 GLN 58 1HB GLN 58 -8.680 11.343 -7.880
501 HG2 GLN 58 2HG GLN 58 -7.343 10.181 -5.414
502 HG3 GLN 58 1HG GLN 58 -6.812 9.958 -7.081
503 HE21 GLN 58 1HE2 GLN 58 -6.988 12.194 -4.395
504 HE22 GLN 58 2HE2 GLN 58 -5.916 13.384 -5.041
505 H GLU 59 H GLU 59 -11.879 10.671 -5.810
506 HA GLU 59 HA GLU 59 -13.328 12.667 -7.455
507 HB2 GLU 59 2HB GLU 59 -13.424 10.371 -8.392
508 HB3 GLU 59 1HB GLU 59 -14.019 9.747 -6.855
509 HG2 GLU 59 2HG GLU 59 -16.064 11.151 -7.120
510 HG3 GLU 59 1HG GLU 59 -15.459 11.683 -8.689
511 H GLN 60 H GLN 60 -14.710 13.929 -6.330
512 HA GLN 60 HA GLN 60 -15.432 13.357 -3.558
513 HB2 GLN 60 2HB GLN 60 -16.013 15.760 -5.364
514 HB3 GLN 60 1HB GLN 60 -16.553 15.639 -3.692
515 HG2 GLN 60 2HG GLN 60 -13.642 15.602 -4.570
516 HG3 GLN 60 1HG GLN 60 -14.496 17.036 -4.009
517 HE21 GLN 60 1HE2 GLN 60 -15.084 17.176 -1.780
518 HE22 GLN 60 2HE2 GLN 60 -14.315 16.192 -0.589
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 22.144 3.111 -2.864
2 H2 GLY 1 2HT GLY 1 23.323 2.001 -3.343
3 H3 GLY 1 3HT GLY 1 22.011 1.487 -2.412
4 HA2 GLY 1 1HA GLY 1 21.905 2.484 -5.204
5 HA3 GLY 1 2HA GLY 1 21.713 0.814 -4.693
6 H SER 2 H SER 2 20.192 3.901 -5.022
7 HA SER 2 HA SER 2 17.868 3.613 -3.460
8 HG SER 2 HG SER 2 19.438 6.428 -4.966
9 HB2 SER 2 2HB SER 2 18.209 5.152 -6.065
10 HB3 SER 2 1HB SER 2 16.970 5.451 -4.841
11 H GLU 3 H GLU 3 18.736 2.177 -6.446
12 HA GLU 3 HA GLU 3 16.334 1.623 -7.721
13 HB2 GLU 3 2HB GLU 3 18.517 1.287 -8.754
14 HB3 GLU 3 1HB GLU 3 18.933 0.050 -7.571
15 HG2 GLU 3 2HG GLU 3 17.049 -1.351 -8.515
16 HG3 GLU 3 1HG GLU 3 16.862 -0.136 -9.777
17 H HIS 4 H HIS 4 17.893 -0.149 -5.067
18 HA HIS 4 HA HIS 4 15.639 -2.060 -4.975
19 HD1 HIS 4 1HD HIS 4 19.243 -2.548 -7.288
20 HD2 HIS 4 2HD HIS 4 19.865 -2.718 -3.183
21 HE1 HIS 4 1HE HIS 4 21.686 -2.088 -6.961
22 HE2 HIS 4 2HE HIS 4 22.078 -2.391 -4.489
23 HB2 HIS 4 2HB HIS 4 17.445 -3.841 -4.382
24 HB3 HIS 4 1HB HIS 4 17.237 -3.397 -6.067
25 H VAL 5 H VAL 5 15.474 0.006 -3.413
26 HA VAL 5 HA VAL 5 16.352 -0.857 -0.720
27 HB VAL 5 HB VAL 5 15.521 1.385 0.071
28 HG11 VAL 5 1HG1 VAL 5 17.635 1.495 -2.115
29 HG12 VAL 5 2HG1 VAL 5 17.899 1.054 -0.426
30 HG13 VAL 5 3HG1 VAL 5 17.416 2.700 -0.839
31 HG21 VAL 5 3HG2 VAL 5 13.877 1.920 -1.680
32 HG22 VAL 5 1HG2 VAL 5 15.161 2.026 -2.886
33 HG23 VAL 5 2HG2 VAL 5 15.083 3.204 -1.570
34 H PHE 6 H PHE 6 14.956 -2.014 0.472
35 HA PHE 6 HA PHE 6 12.137 -2.237 -0.196
36 HD1 PHE 6 2HD PHE 6 15.451 -4.364 0.414
37 HD2 PHE 6 1HD PHE 6 11.285 -5.272 0.033
38 HE1 PHE 6 2HE PHE 6 15.985 -6.205 -1.125
39 HE2 PHE 6 1HE PHE 6 11.833 -7.114 -1.504
40 HZ PHE 6 HZ PHE 6 14.181 -7.581 -2.086
41 HB2 PHE 6 2HB PHE 6 13.774 -3.490 2.043
42 HB3 PHE 6 1HB PHE 6 12.059 -3.798 1.801
43 H ALA 7 H ALA 7 11.254 -0.240 0.177
44 HA ALA 7 HA ALA 7 10.545 0.345 2.942
45 HB1 ALA 7 1HB ALA 7 11.135 2.744 2.774
46 HB2 ALA 7 2HB ALA 7 11.843 2.471 1.178
47 HB3 ALA 7 3HB ALA 7 12.568 1.729 2.606
48 H VAL 8 H VAL 8 8.416 0.644 2.965
49 HA VAL 8 HA VAL 8 6.812 0.838 0.621
50 HB VAL 8 HB VAL 8 6.052 1.227 3.548
51 HG11 VAL 8 1HG1 VAL 8 4.216 0.838 1.150
52 HG12 VAL 8 2HG1 VAL 8 4.342 2.286 2.149
53 HG13 VAL 8 3HG1 VAL 8 3.703 0.796 2.839
54 HG21 VAL 8 3HG2 VAL 8 5.808 -1.232 1.779
55 HG22 VAL 8 1HG2 VAL 8 5.208 -1.095 3.436
56 HG23 VAL 8 2HG2 VAL 8 6.942 -1.018 3.114
57 H GLU 9 H GLU 9 5.881 2.563 -0.340
58 HA GLU 9 HA GLU 9 6.651 5.259 0.565
59 HB2 GLU 9 2HB GLU 9 7.543 4.616 -1.633
60 HB3 GLU 9 1HB GLU 9 5.924 4.231 -2.209
61 HG2 GLU 9 2HG GLU 9 5.281 6.579 -2.096
62 HG3 GLU 9 1HG GLU 9 6.832 6.996 -1.365
63 H SER 10 H SER 10 3.939 3.659 -1.206
64 HA SER 10 HA SER 10 1.950 5.012 0.413
65 HG SER 10 HG SER 10 2.802 7.026 -0.088
66 HB2 SER 10 2HB SER 10 2.321 5.761 -2.512
67 HB3 SER 10 1HB SER 10 0.901 6.181 -1.563
68 H ILE 11 H ILE 11 -0.322 4.600 -0.533
69 HA ILE 11 HA ILE 11 -0.589 1.743 -1.122
70 HB ILE 11 HB ILE 11 -2.603 3.871 -0.280
71 HG12 ILE 11 2HG1 ILE 11 -1.437 1.489 1.226
72 HG13 ILE 11 1HG1 ILE 11 -0.984 3.171 1.472
73 HG21 ILE 11 1HG2 ILE 11 -4.263 2.063 -0.010
74 HG22 ILE 11 2HG2 ILE 11 -3.129 0.914 -0.724
75 HG23 ILE 11 3HG2 ILE 11 -3.769 2.242 -1.696
76 HD11 ILE 11 3HD1 ILE 11 -3.205 3.662 2.326
77 HD12 ILE 11 1HD1 ILE 11 -2.458 2.341 3.219
78 HD13 ILE 11 2HD1 ILE 11 -3.712 1.996 2.029
79 H GLU 12 H GLU 12 -0.537 1.222 -3.175
80 HA GLU 12 HA GLU 12 -0.990 2.964 -5.397
81 HB2 GLU 12 2HB GLU 12 -0.613 -0.071 -5.285
82 HB3 GLU 12 1HB GLU 12 -0.496 0.915 -6.739
83 HG2 GLU 12 2HG GLU 12 1.322 1.322 -4.354
84 HG3 GLU 12 1HG GLU 12 1.680 0.157 -5.629
85 H LYS 13 H LYS 13 -2.509 -0.041 -4.305
86 HA LYS 13 HA LYS 13 -5.050 0.630 -5.651
87 HB2 LYS 13 2HB LYS 13 -3.558 -2.022 -5.643
88 HB3 LYS 13 1HB LYS 13 -5.204 -1.808 -6.243
89 HG2 LYS 13 2HG LYS 13 -4.378 -0.326 -8.016
90 HG3 LYS 13 1HG LYS 13 -2.736 -0.459 -7.378
91 HD2 LYS 13 2HD LYS 13 -3.071 -1.924 -9.343
92 HD3 LYS 13 1HD LYS 13 -2.695 -2.859 -7.894
93 HE2 LYS 13 2HE LYS 13 -4.475 -3.945 -9.170
94 HE3 LYS 13 1HE LYS 13 -5.098 -3.388 -7.619
95 HZ1 LYS 13 3HZ LYS 13 -6.658 -2.873 -9.343
96 HZ2 LYS 13 1HZ LYS 13 -5.479 -2.083 -10.264
97 HZ3 LYS 13 2HZ LYS 13 -5.989 -1.420 -8.796
98 H LYS 14 H LYS 14 -6.821 -0.913 -4.838
99 HA LYS 14 HA LYS 14 -6.705 -1.450 -1.959
100 HB2 LYS 14 2HB LYS 14 -6.974 1.049 -2.268
101 HB3 LYS 14 1HB LYS 14 -8.464 0.752 -3.142
102 HG2 LYS 14 2HG LYS 14 -8.058 -0.030 -0.246
103 HG3 LYS 14 1HG LYS 14 -8.663 1.548 -0.741
104 HD2 LYS 14 2HD LYS 14 -10.550 0.268 -1.944
105 HD3 LYS 14 1HD LYS 14 -9.990 -1.162 -1.077
106 HE2 LYS 14 2HE LYS 14 -11.824 -0.219 0.158
107 HE3 LYS 14 1HE LYS 14 -10.351 0.101 1.079
108 HZ1 LYS 14 3HZ LYS 14 -10.322 2.331 0.028
109 HZ2 LYS 14 1HZ LYS 14 -11.667 2.067 1.016
110 HZ3 LYS 14 2HZ LYS 14 -11.825 1.997 -0.664
111 H ARG 15 H ARG 15 -8.216 -2.993 -1.415
112 HA ARG 15 HA ARG 15 -10.792 -3.061 -2.784
113 HE ARG 15 HE ARG 15 -7.151 -5.936 -4.557
114 HB2 ARG 15 2HB ARG 15 -10.840 -5.437 -3.222
115 HB3 ARG 15 1HB ARG 15 -9.387 -4.811 -3.991
116 HG2 ARG 15 2HG ARG 15 -9.215 -5.964 -1.210
117 HG3 ARG 15 1HG ARG 15 -9.316 -7.057 -2.587
118 HD2 ARG 15 2HD ARG 15 -7.247 -4.857 -2.463
119 HD3 ARG 15 1HD ARG 15 -6.988 -6.405 -1.655
120 HH11 ARG 15 1HH1 ARG 15 -6.711 -8.270 -1.937
121 HH12 ARG 15 2HH1 ARG 15 -5.959 -9.451 -2.959
122 HH21 ARG 15 1HH2 ARG 15 -6.158 -7.502 -5.867
123 HH22 ARG 15 2HH2 ARG 15 -5.639 -9.009 -5.189
124 H ILE 16 H ILE 16 -12.438 -3.913 -1.506
125 HA ILE 16 HA ILE 16 -11.780 -5.097 1.121
126 HB ILE 16 HB ILE 16 -13.838 -2.928 0.525
127 HG12 ILE 16 2HG1 ILE 16 -11.924 -3.322 2.844
128 HG13 ILE 16 1HG1 ILE 16 -11.570 -2.323 1.433
129 HG21 ILE 16 1HG2 ILE 16 -13.981 -4.830 2.896
130 HG22 ILE 16 2HG2 ILE 16 -15.154 -4.708 1.581
131 HG23 ILE 16 3HG2 ILE 16 -14.950 -3.365 2.705
132 HD11 ILE 16 3HD1 ILE 16 -13.753 -1.831 3.473
133 HD12 ILE 16 1HD1 ILE 16 -13.418 -0.824 2.062
134 HD13 ILE 16 2HD1 ILE 16 -12.219 -0.972 3.344
135 H ARG 17 H ARG 17 -12.805 -7.002 1.494
136 HA ARG 17 HA ARG 17 -15.296 -7.648 0.180
137 HE ARG 17 HE ARG 17 -16.328 -10.375 -3.495
138 HB2 ARG 17 2HB ARG 17 -13.229 -8.280 -1.386
139 HB3 ARG 17 1HB ARG 17 -13.088 -9.668 -0.318
140 HG2 ARG 17 2HG ARG 17 -15.296 -10.443 -0.920
141 HG3 ARG 17 1HG ARG 17 -15.643 -8.944 -1.782
142 HD2 ARG 17 2HD ARG 17 -13.699 -9.556 -3.344
143 HD3 ARG 17 1HD ARG 17 -13.733 -11.157 -2.590
144 HH11 ARG 17 1HH1 ARG 17 -13.309 -11.748 -4.671
145 HH12 ARG 17 2HH1 ARG 17 -14.026 -12.358 -6.123
146 HH21 ARG 17 1HH2 ARG 17 -17.236 -11.164 -5.403
147 HH22 ARG 17 2HH2 ARG 17 -16.253 -12.029 -6.537
148 H LYS 18 H LYS 18 -16.498 -8.486 1.717
149 HA LYS 18 HA LYS 18 -17.269 -9.383 3.630
150 HB2 LYS 18 2HB LYS 18 -14.893 -11.286 3.450
151 HB3 LYS 18 1HB LYS 18 -16.320 -11.513 4.456
152 HG2 LYS 18 2HG LYS 18 -17.672 -11.494 2.252
153 HG3 LYS 18 1HG LYS 18 -16.117 -11.647 1.429
154 HD2 LYS 18 2HD LYS 18 -17.341 -13.618 3.408
155 HD3 LYS 18 1HD LYS 18 -17.155 -13.848 1.669
156 HE2 LYS 18 2HE LYS 18 -14.891 -13.615 3.677
157 HE3 LYS 18 1HE LYS 18 -15.463 -15.108 2.937
158 HZ1 LYS 18 3HZ LYS 18 -13.486 -14.291 1.845
159 HZ2 LYS 18 1HZ LYS 18 -14.237 -12.816 1.503
160 HZ3 LYS 18 2HZ LYS 18 -14.798 -14.236 0.779
161 H GLY 19 H GLY 19 -15.410 -7.149 3.700
162 HA2 GLY 19 2HA GLY 19 -14.808 -5.723 5.444
163 HA3 GLY 19 1HA GLY 19 -14.866 -7.068 6.568
164 H ARG 20 H ARG 20 -13.106 -8.219 4.088
165 HA ARG 20 HA ARG 20 -10.582 -7.872 5.505
166 HE ARG 20 HE ARG 20 -10.857 -12.081 7.232
167 HB2 ARG 20 2HB ARG 20 -11.505 -9.700 3.263
168 HB3 ARG 20 1HB ARG 20 -9.806 -9.563 3.696
169 HG2 ARG 20 2HG ARG 20 -12.000 -10.416 5.613
170 HG3 ARG 20 1HG ARG 20 -10.949 -11.523 4.725
171 HD2 ARG 20 2HD ARG 20 -8.971 -10.510 5.839
172 HD3 ARG 20 1HD ARG 20 -10.045 -9.450 6.760
173 HH11 ARG 20 1HH1 ARG 20 -8.018 -10.103 7.886
174 HH12 ARG 20 2HH1 ARG 20 -7.608 -10.975 9.326
175 HH21 ARG 20 1HH2 ARG 20 -10.298 -13.206 9.122
176 HH22 ARG 20 2HH2 ARG 20 -8.896 -12.735 10.028
177 H VAL 21 H VAL 21 -9.291 -6.294 4.977
178 HA VAL 21 HA VAL 21 -9.225 -5.256 2.224
179 HB VAL 21 HB VAL 21 -10.470 -3.656 3.523
180 HG11 VAL 21 1HG1 VAL 21 -9.610 -2.483 5.500
181 HG12 VAL 21 2HG1 VAL 21 -8.190 -3.532 5.502
182 HG13 VAL 21 3HG1 VAL 21 -9.790 -4.219 5.785
183 HG21 VAL 21 3HG2 VAL 21 -7.665 -2.595 3.049
184 HG22 VAL 21 1HG2 VAL 21 -9.129 -1.616 3.189
185 HG23 VAL 21 2HG2 VAL 21 -8.940 -2.734 1.838
186 H GLU 22 H GLU 22 -7.351 -5.216 1.323
187 HA GLU 22 HA GLU 22 -4.884 -4.931 2.893
188 HB2 GLU 22 2HB GLU 22 -3.710 -6.490 1.280
189 HB3 GLU 22 1HB GLU 22 -4.837 -7.276 2.370
190 HG2 GLU 22 2HG GLU 22 -5.619 -6.550 -0.461
191 HG3 GLU 22 1HG GLU 22 -4.753 -8.038 -0.097
192 H TYR 23 H TYR 23 -3.297 -3.768 1.918
193 HA TYR 23 HA TYR 23 -4.124 -2.068 -0.351
194 HD1 TYR 23 2HD TYR 23 -5.613 -0.489 0.265
195 HD2 TYR 23 1HD TYR 23 -3.594 -0.715 4.020
196 HE1 TYR 23 2HE TYR 23 -7.626 0.325 1.426
197 HE2 TYR 23 1HE TYR 23 -5.606 0.078 5.175
198 HH TYR 23 HH TYR 23 -7.631 1.366 4.665
199 HB2 TYR 23 2HB TYR 23 -2.433 -1.386 2.091
200 HB3 TYR 23 1HB TYR 23 -2.790 -0.284 0.766
201 H LEU 24 H LEU 24 -2.749 -1.934 -2.025
202 HA LEU 24 HA LEU 24 -0.423 -3.623 -2.174
203 HG LEU 24 HG LEU 24 0.831 -2.544 -4.755
204 HB2 LEU 24 2HB LEU 24 -2.065 -3.160 -4.063
205 HB3 LEU 24 1HB LEU 24 -1.387 -1.545 -4.175
206 HD11 LEU 24 1HD1 LEU 24 -0.665 -5.177 -4.790
207 HD12 LEU 24 2HD1 LEU 24 0.602 -4.710 -3.653
208 HD13 LEU 24 3HD1 LEU 24 0.988 -4.916 -5.357
209 HD21 LEU 24 3HD2 LEU 24 -1.438 -3.415 -6.561
210 HD22 LEU 24 1HD2 LEU 24 0.257 -3.241 -7.032
211 HD23 LEU 24 2HD2 LEU 24 -0.669 -1.825 -6.542
212 H VAL 25 H VAL 25 1.446 -2.999 -1.218
213 HA VAL 25 HA VAL 25 1.974 -0.203 -0.614
214 HB VAL 25 HB VAL 25 3.848 -1.009 0.768
215 HG11 VAL 25 1HG1 VAL 25 1.619 -0.905 1.767
216 HG12 VAL 25 2HG1 VAL 25 2.533 -2.248 2.453
217 HG13 VAL 25 3HG1 VAL 25 1.278 -2.562 1.249
218 HG21 VAL 25 3HG2 VAL 25 4.598 -2.965 -0.551
219 HG22 VAL 25 1HG2 VAL 25 3.123 -3.834 -0.127
220 HG23 VAL 25 2HG2 VAL 25 4.294 -3.418 1.124
221 H LYS 26 H LYS 26 3.245 1.077 -1.759
222 HA LYS 26 HA LYS 26 4.655 0.164 -4.084
223 HB2 LYS 26 2HB LYS 26 3.449 2.467 -3.669
224 HB3 LYS 26 1HB LYS 26 4.960 2.949 -2.916
225 HG2 LYS 26 2HG LYS 26 4.652 1.989 -5.785
226 HG3 LYS 26 1HG LYS 26 4.735 3.677 -5.290
227 HD2 LYS 26 2HD LYS 26 7.049 3.304 -4.456
228 HD3 LYS 26 1HD LYS 26 6.955 1.613 -4.968
229 HE2 LYS 26 2HE LYS 26 8.189 2.994 -6.603
230 HE3 LYS 26 1HE LYS 26 6.721 2.320 -7.313
231 HZ1 LYS 26 3HZ LYS 26 7.038 4.654 -7.898
232 HZ2 LYS 26 1HZ LYS 26 7.009 5.090 -6.261
233 HZ3 LYS 26 2HZ LYS 26 5.624 4.445 -6.989
234 H TRP 27 H TRP 27 6.394 -1.149 -3.537
235 HA TRP 27 HA TRP 27 8.386 -0.421 -1.612
236 HD1 TRP 27 HD TRP 27 6.675 -4.199 -3.293
237 HE1 TRP 27 1HE TRP 27 5.941 -5.369 -1.120
238 HE3 TRP 27 3HE TRP 27 9.639 -1.699 0.030
239 HZ2 TRP 27 2HZ TRP 27 6.534 -5.260 1.627
240 HZ3 TRP 27 3HZ TRP 27 9.494 -2.283 2.411
241 HH2 TRP 27 HH TRP 27 7.979 -4.027 3.197
242 HB2 TRP 27 2HB TRP 27 8.460 -2.403 -3.935
243 HB3 TRP 27 1HB TRP 27 9.759 -2.219 -2.759
244 H ARG 28 H ARG 28 9.247 1.518 -1.864
245 HA ARG 28 HA ARG 28 9.447 2.969 -4.255
246 HE ARG 28 HE ARG 28 10.187 7.843 -3.366
247 HB2 ARG 28 2HB ARG 28 9.270 3.930 -1.920
248 HB3 ARG 28 1HB ARG 28 10.956 3.491 -1.662
249 HG2 ARG 28 2HG ARG 28 11.675 5.007 -3.426
250 HG3 ARG 28 1HG ARG 28 10.000 5.379 -3.838
251 HD2 ARG 28 2HD ARG 28 9.762 6.318 -1.479
252 HD3 ARG 28 1HD ARG 28 11.517 6.137 -1.323
253 HH11 ARG 28 1HH1 ARG 28 12.853 7.320 -1.111
254 HH12 ARG 28 2HH1 ARG 28 13.628 8.818 -1.514
255 HH21 ARG 28 1HH2 ARG 28 11.224 9.789 -3.870
256 HH22 ARG 28 2HH2 ARG 28 12.711 10.205 -3.084
257 H GLY 29 H GLY 29 11.119 3.377 -5.642
258 HA2 GLY 29 2HA GLY 29 13.276 3.270 -6.545
259 HA3 GLY 29 1HA GLY 29 13.758 2.146 -5.279
260 H TRP 30 H TRP 30 11.822 0.218 -5.452
261 HA TRP 30 HA TRP 30 12.403 -1.282 -7.805
262 HD1 TRP 30 HD TRP 30 11.854 -1.419 -3.612
263 HE1 TRP 30 1HE TRP 30 13.668 -2.973 -2.665
264 HE3 TRP 30 3HE TRP 30 12.480 -4.501 -7.654
265 HZ2 TRP 30 2HZ TRP 30 15.173 -5.205 -3.512
266 HZ3 TRP 30 3HZ TRP 30 14.134 -6.321 -7.503
267 HH2 TRP 30 HH TRP 30 15.455 -6.668 -5.469
268 HB2 TRP 30 2HB TRP 30 10.184 -1.695 -5.736
269 HB3 TRP 30 1HB TRP 30 10.650 -2.862 -6.965
270 H SER 31 H SER 31 10.867 -1.948 -9.438
271 HA SER 31 HA SER 31 9.185 0.046 -10.527
272 HG SER 31 HG SER 31 10.815 -0.839 -12.099
273 HB2 SER 31 2HB SER 31 9.194 -2.940 -11.109
274 HB3 SER 31 1HB SER 31 8.570 -1.668 -12.167
275 HA PRO 32 HA PRO 32 5.479 -0.501 -8.095
276 HB2 PRO 32 2HB PRO 32 3.525 0.248 -9.910
277 HB3 PRO 32 1HB PRO 32 4.563 1.385 -9.040
278 HG2 PRO 32 2HG PRO 32 4.857 0.301 -11.837
279 HG3 PRO 32 1HG PRO 32 5.064 1.967 -11.259
280 HD2 PRO 32 2HD PRO 32 7.188 0.371 -11.732
281 HD3 PRO 32 1HD PRO 32 7.193 1.533 -10.382
282 H LYS 33 H LYS 33 6.072 -2.498 -10.817
283 HA LYS 33 HA LYS 33 3.763 -4.215 -10.522
284 HB2 LYS 33 2HB LYS 33 4.960 -5.718 -12.095
285 HB3 LYS 33 1HB LYS 33 4.863 -4.062 -12.686
286 HG2 LYS 33 2HG LYS 33 7.221 -3.694 -11.939
287 HG3 LYS 33 1HG LYS 33 7.303 -5.394 -11.456
288 HD2 LYS 33 2HD LYS 33 6.913 -6.083 -13.795
289 HD3 LYS 33 1HD LYS 33 6.773 -4.393 -14.287
290 HE2 LYS 33 2HE LYS 33 9.123 -4.018 -13.599
291 HE3 LYS 33 1HE LYS 33 9.254 -5.719 -13.146
292 HZ1 LYS 33 3HZ LYS 33 8.706 -4.686 -15.875
293 HZ2 LYS 33 1HZ LYS 33 8.810 -6.321 -15.446
294 HZ3 LYS 33 2HZ LYS 33 10.172 -5.324 -15.325
295 H TYR 34 H TYR 34 6.843 -3.943 -8.939
296 HA TYR 34 HA TYR 34 6.893 -6.663 -7.880
297 HD1 TYR 34 1HD TYR 34 8.635 -7.686 -8.843
298 HD2 TYR 34 2HD TYR 34 10.299 -3.751 -8.922
299 HE1 TYR 34 1HE TYR 34 9.956 -8.287 -10.819
300 HE2 TYR 34 2HE TYR 34 11.621 -4.351 -10.907
301 HH TYR 34 HH TYR 34 12.502 -6.381 -11.996
302 HB2 TYR 34 2HB TYR 34 8.668 -4.248 -7.305
303 HB3 TYR 34 1HB TYR 34 8.948 -5.862 -6.660
304 H ASN 35 H ASN 35 5.024 -4.095 -7.125
305 HA ASN 35 HA ASN 35 5.240 -3.830 -4.305
306 HB2 ASN 35 2HB ASN 35 2.922 -3.238 -6.186
307 HB3 ASN 35 1HB ASN 35 2.977 -2.744 -4.493
308 HD21 ASN 35 1HD2 ASN 35 2.667 -0.929 -6.575
309 HD22 ASN 35 2HD2 ASN 35 4.065 0.082 -6.640
310 H THR 36 H THR 36 4.092 -4.819 -2.627
311 HA THR 36 HA THR 36 2.618 -7.316 -3.294
312 HB THR 36 HB THR 36 3.315 -8.169 -1.064
313 HG1 THR 36 1HG THR 36 3.733 -6.506 0.237
314 HG21 THR 36 3HG2 THR 36 5.683 -7.227 -2.718
315 HG22 THR 36 1HG2 THR 36 4.750 -8.699 -3.004
316 HG23 THR 36 2HG2 THR 36 5.712 -8.535 -1.532
317 H TRP 37 H TRP 37 0.652 -7.729 -2.221
318 HA TRP 37 HA TRP 37 -0.773 -5.526 -1.015
319 HD1 TRP 37 HD TRP 37 -1.117 -8.493 -4.025
320 HE1 TRP 37 1HE TRP 37 -2.319 -7.327 -5.980
321 HE3 TRP 37 3HE TRP 37 -3.754 -4.994 -1.392
322 HZ2 TRP 37 2HZ TRP 37 -4.125 -5.215 -6.354
323 HZ3 TRP 37 3HZ TRP 37 -5.191 -3.428 -2.631
324 HH2 TRP 37 HH TRP 37 -5.368 -3.542 -5.062
325 HB2 TRP 37 2HB TRP 37 -1.521 -8.462 -1.374
326 HB3 TRP 37 1HB TRP 37 -2.614 -7.232 -0.744
327 H GLU 38 H GLU 38 -0.749 -5.025 1.077
328 HA GLU 38 HA GLU 38 -0.093 -7.051 3.140
329 HB2 GLU 38 2HB GLU 38 0.550 -4.065 3.099
330 HB3 GLU 38 1HB GLU 38 0.828 -5.128 4.475
331 HG2 GLU 38 2HG GLU 38 2.183 -5.299 1.765
332 HG3 GLU 38 1HG GLU 38 2.895 -4.691 3.254
333 HA PRO 39 HA PRO 39 -4.357 -6.123 4.452
334 HB2 PRO 39 2HB PRO 39 -4.098 -7.148 7.049
335 HB3 PRO 39 1HB PRO 39 -4.512 -8.098 5.617
336 HG2 PRO 39 2HG PRO 39 -1.827 -7.709 6.929
337 HG3 PRO 39 1HG PRO 39 -2.550 -9.199 6.287
338 HD2 PRO 39 2HD PRO 39 -0.685 -7.877 4.885
339 HD3 PRO 39 1HD PRO 39 -2.080 -8.609 4.048
340 H GLU 40 H GLU 40 -5.437 -4.845 6.028
341 HA GLU 40 HA GLU 40 -4.430 -2.304 6.409
342 HB2 GLU 40 2HB GLU 40 -6.411 -1.810 7.719
343 HB3 GLU 40 1HB GLU 40 -6.855 -2.918 6.435
344 HG2 GLU 40 2HG GLU 40 -6.465 -3.636 9.362
345 HG3 GLU 40 1HG GLU 40 -8.007 -3.467 8.534
346 H GLU 41 H GLU 41 -4.185 -5.042 8.560
347 HA GLU 41 HA GLU 41 -3.338 -3.662 10.907
348 HB2 GLU 41 2HB GLU 41 -2.697 -5.940 11.707
349 HB3 GLU 41 1HB GLU 41 -4.339 -5.852 11.081
350 HG2 GLU 41 2HG GLU 41 -3.494 -6.835 8.919
351 HG3 GLU 41 1HG GLU 41 -1.928 -7.069 9.697
352 H ASN 42 H ASN 42 -1.598 -5.116 8.152
353 HA ASN 42 HA ASN 42 1.037 -4.491 9.203
354 HB2 ASN 42 2HB ASN 42 0.164 -5.360 6.411
355 HB3 ASN 42 1HB ASN 42 1.843 -5.134 6.890
356 HD21 ASN 42 1HD2 ASN 42 0.852 -7.531 5.881
357 HD22 ASN 42 2HD2 ASN 42 0.932 -8.733 7.121
358 H ILE 43 H ILE 43 -1.417 -2.635 7.922
359 HA ILE 43 HA ILE 43 0.390 -0.490 6.976
360 HB ILE 43 HB ILE 43 -2.617 -0.768 6.445
361 HG12 ILE 43 2HG1 ILE 43 -1.381 -2.552 5.273
362 HG13 ILE 43 1HG1 ILE 43 -1.991 -1.381 4.116
363 HG21 ILE 43 1HG2 ILE 43 -0.591 1.171 5.249
364 HG22 ILE 43 2HG2 ILE 43 -1.857 1.578 6.410
365 HG23 ILE 43 3HG2 ILE 43 -2.291 1.039 4.788
366 HD11 ILE 43 3HD1 ILE 43 0.843 -1.599 5.102
367 HD12 ILE 43 1HD1 ILE 43 0.249 -0.392 3.958
368 HD13 ILE 43 2HD1 ILE 43 0.223 -2.104 3.534
369 H LEU 44 H LEU 44 0.775 -0.455 9.365
370 HA LEU 44 HA LEU 44 -1.263 0.716 11.068
371 HG LEU 44 HG LEU 44 0.650 1.656 13.360
372 HB2 LEU 44 2HB LEU 44 0.427 -0.984 11.865
373 HB3 LEU 44 1HB LEU 44 1.692 0.208 11.624
374 HD11 LEU 44 1HD1 LEU 44 -1.676 0.985 13.124
375 HD12 LEU 44 2HD1 LEU 44 -1.142 0.796 14.793
376 HD13 LEU 44 3HD1 LEU 44 -1.304 -0.624 13.752
377 HD21 LEU 44 3HD2 LEU 44 1.237 -1.160 14.315
378 HD22 LEU 44 1HD2 LEU 44 1.264 0.301 15.308
379 HD23 LEU 44 2HD2 LEU 44 2.431 0.105 14.001
380 H ASP 45 H ASP 45 1.424 1.719 9.120
381 HA ASP 45 HA ASP 45 2.071 4.236 10.161
382 HB2 ASP 45 2HB ASP 45 3.444 3.001 8.504
383 HB3 ASP 45 1HB ASP 45 2.218 3.267 7.275
384 HA PRO 46 HA PRO 46 -1.854 6.213 9.231
385 HB2 PRO 46 2HB PRO 46 -1.371 8.680 10.248
386 HB3 PRO 46 1HB PRO 46 -1.534 7.259 11.291
387 HG2 PRO 46 2HG PRO 46 0.988 8.587 10.285
388 HG3 PRO 46 1HG PRO 46 0.593 8.066 11.936
389 HD2 PRO 46 2HD PRO 46 2.126 6.562 10.251
390 HD3 PRO 46 1HD PRO 46 1.065 5.829 11.477
391 H ARG 47 H ARG 47 1.193 7.375 7.952
392 HA ARG 47 HA ARG 47 0.137 9.474 6.286
393 HE ARG 47 HE ARG 47 4.555 9.909 5.312
394 HB2 ARG 47 2HB ARG 47 2.830 8.060 6.299
395 HB3 ARG 47 1HB ARG 47 2.450 9.442 5.273
396 HG2 ARG 47 2HG ARG 47 2.125 10.866 7.232
397 HG3 ARG 47 1HG ARG 47 2.374 9.486 8.309
398 HD2 ARG 47 2HD ARG 47 4.372 11.008 8.063
399 HD3 ARG 47 1HD ARG 47 4.687 9.313 7.682
400 HH11 ARG 47 1HH1 ARG 47 5.099 12.600 7.515
401 HH12 ARG 47 2HH1 ARG 47 5.853 13.576 6.301
402 HH21 ARG 47 1HH2 ARG 47 5.520 11.188 3.755
403 HH22 ARG 47 2HH2 ARG 47 6.103 12.770 4.162
404 H LEU 48 H LEU 48 0.852 6.040 5.860
405 HA LEU 48 HA LEU 48 0.311 5.812 3.079
406 HG LEU 48 HG LEU 48 2.175 4.241 5.251
407 HB2 LEU 48 2HB LEU 48 -0.228 3.798 5.305
408 HB3 LEU 48 1HB LEU 48 -0.237 3.423 3.588
409 HD11 LEU 48 1HD1 LEU 48 3.011 1.986 4.791
410 HD12 LEU 48 2HD1 LEU 48 1.520 1.588 3.934
411 HD13 LEU 48 3HD1 LEU 48 1.480 1.941 5.664
412 HD21 LEU 48 3HD2 LEU 48 3.524 3.858 3.231
413 HD22 LEU 48 1HD2 LEU 48 2.396 5.198 3.030
414 HD23 LEU 48 2HD2 LEU 48 2.050 3.635 2.283
415 H LEU 49 H LEU 49 -1.720 5.787 5.959
416 HA LEU 49 HA LEU 49 -4.217 5.237 4.688
417 HG LEU 49 HG LEU 49 -2.673 4.102 7.163
418 HB2 LEU 49 2HB LEU 49 -3.595 6.419 7.415
419 HB3 LEU 49 1HB LEU 49 -5.174 5.829 6.913
420 HD11 LEU 49 1HD1 LEU 49 -5.034 4.315 9.053
421 HD12 LEU 49 2HD1 LEU 49 -3.388 4.884 9.355
422 HD13 LEU 49 3HD1 LEU 49 -3.701 3.160 9.175
423 HD21 LEU 49 3HD2 LEU 49 -4.210 2.191 6.918
424 HD22 LEU 49 1HD2 LEU 49 -4.221 3.224 5.489
425 HD23 LEU 49 2HD2 LEU 49 -5.558 3.300 6.640
426 H ILE 50 H ILE 50 -2.424 8.216 5.337
427 HA ILE 50 HA ILE 50 -4.521 10.071 4.733
428 HB ILE 50 HB ILE 50 -1.498 10.359 4.392
429 HG12 ILE 50 2HG1 ILE 50 -3.305 11.407 6.612
430 HG13 ILE 50 1HG1 ILE 50 -2.269 9.995 6.748
431 HG21 ILE 50 1HG2 ILE 50 -1.864 12.804 4.279
432 HG22 ILE 50 2HG2 ILE 50 -3.609 12.546 4.281
433 HG23 ILE 50 3HG2 ILE 50 -2.634 11.968 2.926
434 HD11 ILE 50 3HD1 ILE 50 -1.290 11.924 7.837
435 HD12 ILE 50 1HD1 ILE 50 -1.334 12.833 6.326
436 HD13 ILE 50 2HD1 ILE 50 -0.295 11.412 6.475
437 H ALA 51 H ALA 51 -1.929 8.585 2.812
438 HA ALA 51 HA ALA 51 -2.595 9.626 0.276
439 HB1 ALA 51 1HB ALA 51 -1.147 7.041 0.951
440 HB2 ALA 51 2HB ALA 51 -0.400 8.636 0.841
441 HB3 ALA 51 3HB ALA 51 -1.094 7.890 -0.598
442 H PHE 52 H PHE 52 -3.769 6.862 2.065
443 HA PHE 52 HA PHE 52 -5.338 5.568 0.097
444 HD1 PHE 52 1HD PHE 52 -6.882 3.288 0.644
445 HD2 PHE 52 2HD PHE 52 -7.390 5.595 4.211
446 HE1 PHE 52 1HE PHE 52 -9.105 2.314 0.976
447 HE2 PHE 52 2HE PHE 52 -9.618 4.604 4.528
448 HZ PHE 52 HZ PHE 52 -10.474 2.962 2.909
449 HB2 PHE 52 2HB PHE 52 -4.896 4.312 2.049
450 HB3 PHE 52 1HB PHE 52 -5.318 5.637 3.118
451 H GLN 53 H GLN 53 -6.171 8.075 2.541
452 HA GLN 53 HA GLN 53 -8.922 8.309 1.790
453 HB2 GLN 53 2HB GLN 53 -7.119 10.251 3.291
454 HB3 GLN 53 1HB GLN 53 -8.858 10.473 3.090
455 HG2 GLN 53 2HG GLN 53 -9.228 8.318 4.294
456 HG3 GLN 53 1HG GLN 53 -7.489 8.215 4.582
457 HE21 GLN 53 1HE2 GLN 53 -9.666 8.402 6.542
458 HE22 GLN 53 2HE2 GLN 53 -9.339 9.810 7.482
459 H ASN 54 H ASN 54 -5.983 9.871 0.672
460 HA ASN 54 HA ASN 54 -7.139 11.877 -0.987
461 HB2 ASN 54 2HB ASN 54 -4.442 10.455 -1.197
462 HB3 ASN 54 1HB ASN 54 -4.890 11.873 -2.143
463 HD21 ASN 54 1HD2 ASN 54 -2.719 11.474 -0.180
464 HD22 ASN 54 2HD2 ASN 54 -2.936 12.722 0.995
465 H ARG 55 H ARG 55 -6.345 8.464 -1.451
466 HA ARG 55 HA ARG 55 -7.015 8.277 -4.220
467 HE ARG 55 HE ARG 55 -6.590 2.728 -5.461
468 HB2 ARG 55 2HB ARG 55 -5.602 6.567 -3.135
469 HB3 ARG 55 1HB ARG 55 -6.926 6.132 -2.056
470 HG2 ARG 55 2HG ARG 55 -8.255 5.446 -4.084
471 HG3 ARG 55 1HG ARG 55 -6.813 5.726 -5.057
472 HD2 ARG 55 2HD ARG 55 -5.630 3.954 -3.788
473 HD3 ARG 55 1HD ARG 55 -7.077 3.698 -2.802
474 HH11 ARG 55 1HH1 ARG 55 -9.188 3.595 -3.215
475 HH12 ARG 55 2HH1 ARG 55 -10.399 2.750 -4.124
476 HH21 ARG 55 1HH2 ARG 55 -8.217 1.620 -6.602
477 HH22 ARG 55 2HH2 ARG 55 -9.844 1.625 -6.015
478 H GLU 56 H GLU 56 -8.848 7.811 -1.195
479 HA GLU 56 HA GLU 56 -11.281 6.933 -2.470
480 HB2 GLU 56 2HB GLU 56 -10.950 8.075 0.339
481 HB3 GLU 56 1HB GLU 56 -12.319 7.142 -0.262
482 HG2 GLU 56 2HG GLU 56 -9.501 6.156 0.224
483 HG3 GLU 56 1HG GLU 56 -10.943 5.739 1.139
484 H ARG 57 H ARG 57 -9.841 10.003 -1.864
485 HA ARG 57 HA ARG 57 -12.196 11.630 -2.130
486 HE ARG 57 HE ARG 57 -8.450 14.679 -3.652
487 HB2 ARG 57 2HB ARG 57 -10.121 12.387 -0.957
488 HB3 ARG 57 1HB ARG 57 -9.258 12.371 -2.492
489 HG2 ARG 57 2HG ARG 57 -10.892 14.117 -3.327
490 HG3 ARG 57 1HG ARG 57 -11.551 14.200 -1.689
491 HD2 ARG 57 2HD ARG 57 -9.933 15.999 -2.080
492 HD3 ARG 57 1HD ARG 57 -9.342 14.891 -0.836
493 HH11 ARG 57 1HH1 ARG 57 -7.628 15.019 -0.252
494 HH12 ARG 57 2HH1 ARG 57 -5.924 14.886 -0.535
495 HH21 ARG 57 1HH2 ARG 57 -6.229 14.548 -4.011
496 HH22 ARG 57 2HH2 ARG 57 -5.130 14.650 -2.678
497 H GLN 58 H GLN 58 -10.099 9.964 -4.346
498 HA GLN 58 HA GLN 58 -10.228 11.678 -6.588
499 HB2 GLN 58 2HB GLN 58 -9.827 8.658 -6.539
500 HB3 GLN 58 1HB GLN 58 -9.556 9.690 -7.941
501 HG2 GLN 58 2HG GLN 58 -8.036 9.761 -5.322
502 HG3 GLN 58 1HG GLN 58 -7.450 9.132 -6.859
503 HE21 GLN 58 1HE2 GLN 58 -6.481 11.295 -5.065
504 HE22 GLN 58 2HE2 GLN 58 -6.301 12.673 -6.086
505 H GLU 59 H GLU 59 -12.037 12.349 -7.410
506 HA GLU 59 HA GLU 59 -14.422 10.672 -7.781
507 HB2 GLU 59 2HB GLU 59 -15.529 12.857 -8.312
508 HB3 GLU 59 1HB GLU 59 -14.757 12.873 -6.728
509 HG2 GLU 59 2HG GLU 59 -12.803 14.061 -7.756
510 HG3 GLU 59 1HG GLU 59 -13.693 14.133 -9.276
511 H GLN 60 H GLN 60 -12.018 10.200 -9.326
512 HA GLN 60 HA GLN 60 -11.971 11.540 -11.831
513 HB2 GLN 60 2HB GLN 60 -10.657 8.919 -10.988
514 HB3 GLN 60 1HB GLN 60 -10.230 9.863 -12.411
515 HG2 GLN 60 2HG GLN 60 -9.950 10.884 -9.567
516 HG3 GLN 60 1HG GLN 60 -8.660 10.070 -10.448
517 HE21 GLN 60 1HE2 GLN 60 -7.309 11.869 -10.286
518 HE22 GLN 60 2HE2 GLN 60 -7.553 13.303 -11.217
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 25.583 -2.486 1.090
2 H2 GLY 1 2HT GLY 1 27.047 -1.941 0.453
3 H3 GLY 1 3HT GLY 1 26.128 -3.079 -0.389
4 HA2 GLY 1 1HA GLY 1 25.371 -0.274 0.147
5 HA3 GLY 1 2HA GLY 1 25.884 -0.935 -1.404
6 H SER 2 H SER 2 24.081 -0.827 -2.651
7 HA SER 2 HA SER 2 21.410 -1.282 -1.649
8 HG SER 2 HG SER 2 21.036 1.172 -3.778
9 HB2 SER 2 2HB SER 2 22.421 -0.865 -4.501
10 HB3 SER 2 1HB SER 2 20.722 -0.895 -4.026
11 H GLU 3 H GLU 3 21.536 -3.408 -0.855
12 HA GLU 3 HA GLU 3 22.029 -5.695 -2.570
13 HB2 GLU 3 2HB GLU 3 20.712 -5.564 0.192
14 HB3 GLU 3 1HB GLU 3 21.326 -7.018 -0.599
15 HG2 GLU 3 2HG GLU 3 23.621 -6.093 -0.469
16 HG3 GLU 3 1HG GLU 3 22.991 -4.656 0.336
17 H HIS 4 H HIS 4 19.218 -4.590 -0.728
18 HA HIS 4 HA HIS 4 17.342 -4.695 -2.879
19 HD1 HIS 4 1HD HIS 4 19.008 -8.318 -1.396
20 HD2 HIS 4 2HD HIS 4 16.170 -6.765 1.212
21 HE1 HIS 4 1HE HIS 4 19.500 -9.370 0.824
22 HE2 HIS 4 2HE HIS 4 17.771 -8.429 2.387
23 HB2 HIS 4 2HB HIS 4 15.840 -6.440 -1.659
24 HB3 HIS 4 1HB HIS 4 17.188 -7.053 -2.604
25 H VAL 5 H VAL 5 17.089 -2.558 -2.264
26 HA VAL 5 HA VAL 5 16.458 -1.788 0.449
27 HB VAL 5 HB VAL 5 16.167 0.538 -0.531
28 HG11 VAL 5 1HG1 VAL 5 18.791 -0.872 -1.186
29 HG12 VAL 5 2HG1 VAL 5 18.335 -0.197 0.380
30 HG13 VAL 5 3HG1 VAL 5 18.579 0.874 -0.999
31 HG21 VAL 5 3HG2 VAL 5 17.018 -0.794 -3.147
32 HG22 VAL 5 1HG2 VAL 5 16.878 0.950 -2.886
33 HG23 VAL 5 2HG2 VAL 5 15.443 -0.073 -2.819
34 H PHE 6 H PHE 6 14.542 -2.006 1.324
35 HA PHE 6 HA PHE 6 12.061 -1.847 -0.291
36 HD1 PHE 6 2HD PHE 6 10.204 -4.320 -0.294
37 HD2 PHE 6 1HD PHE 6 14.204 -4.955 1.082
38 HE1 PHE 6 2HE PHE 6 10.375 -6.331 -1.696
39 HE2 PHE 6 1HE PHE 6 14.358 -6.964 -0.325
40 HZ PHE 6 HZ PHE 6 12.451 -7.651 -1.714
41 HB2 PHE 6 2HB PHE 6 12.692 -3.401 2.262
42 HB3 PHE 6 1HB PHE 6 11.050 -3.148 1.690
43 H ALA 7 H ALA 7 10.933 -0.039 0.056
44 HA ALA 7 HA ALA 7 10.364 0.897 2.741
45 HB1 ALA 7 1HB ALA 7 10.990 3.255 2.310
46 HB2 ALA 7 2HB ALA 7 11.659 2.806 0.736
47 HB3 ALA 7 3HB ALA 7 12.406 2.206 2.218
48 H VAL 8 H VAL 8 8.213 1.179 2.760
49 HA VAL 8 HA VAL 8 6.675 1.364 0.331
50 HB VAL 8 HB VAL 8 5.662 1.671 3.191
51 HG11 VAL 8 1HG1 VAL 8 4.152 1.003 0.623
52 HG12 VAL 8 2HG1 VAL 8 4.065 2.525 1.511
53 HG13 VAL 8 3HG1 VAL 8 3.450 1.043 2.244
54 HG21 VAL 8 3HG2 VAL 8 5.054 -0.716 3.114
55 HG22 VAL 8 1HG2 VAL 8 6.798 -0.499 2.941
56 HG23 VAL 8 2HG2 VAL 8 5.810 -0.871 1.526
57 H GLU 9 H GLU 9 5.828 3.122 -0.578
58 HA GLU 9 HA GLU 9 6.516 5.788 0.402
59 HB2 GLU 9 2HB GLU 9 7.089 5.348 -1.913
60 HB3 GLU 9 1HB GLU 9 5.474 4.744 -2.262
61 HG2 GLU 9 2HG GLU 9 4.556 7.027 -1.900
62 HG3 GLU 9 1HG GLU 9 6.187 7.615 -1.581
63 H SER 10 H SER 10 3.679 4.064 -0.927
64 HA SER 10 HA SER 10 1.766 5.541 0.650
65 HG SER 10 HG SER 10 2.702 7.479 -0.043
66 HB2 SER 10 2HB SER 10 2.093 6.124 -2.332
67 HB3 SER 10 1HB SER 10 0.655 6.569 -1.411
68 H ILE 11 H ILE 11 -0.496 5.044 -0.123
69 HA ILE 11 HA ILE 11 -0.798 2.259 -0.971
70 HB ILE 11 HB ILE 11 -2.740 4.273 0.253
71 HG12 ILE 11 2HG1 ILE 11 -1.607 1.647 1.342
72 HG13 ILE 11 1HG1 ILE 11 -1.008 3.248 1.765
73 HG21 ILE 11 1HG2 ILE 11 -4.435 2.460 0.337
74 HG22 ILE 11 2HG2 ILE 11 -3.363 1.411 -0.592
75 HG23 ILE 11 3HG2 ILE 11 -4.017 2.876 -1.329
76 HD11 ILE 11 3HD1 ILE 11 -3.109 3.775 2.840
77 HD12 ILE 11 1HD1 ILE 11 -2.430 2.285 3.486
78 HD13 ILE 11 2HD1 ILE 11 -3.778 2.213 2.354
79 H GLU 12 H GLU 12 -1.473 1.725 -2.935
80 HA GLU 12 HA GLU 12 -1.786 3.855 -4.963
81 HB2 GLU 12 2HB GLU 12 -0.909 0.948 -5.304
82 HB3 GLU 12 1HB GLU 12 -0.915 2.185 -6.564
83 HG2 GLU 12 2HG GLU 12 0.820 2.188 -4.068
84 HG3 GLU 12 1HG GLU 12 1.345 1.750 -5.694
85 H LYS 13 H LYS 13 -3.136 0.788 -3.846
86 HA LYS 13 HA LYS 13 -5.725 1.479 -5.001
87 HB2 LYS 13 2HB LYS 13 -4.240 -1.103 -5.635
88 HB3 LYS 13 1HB LYS 13 -5.996 -1.011 -5.717
89 HG2 LYS 13 2HG LYS 13 -5.725 0.868 -7.402
90 HG3 LYS 13 1HG LYS 13 -3.992 0.517 -7.419
91 HD2 LYS 13 2HD LYS 13 -6.163 -1.519 -8.077
92 HD3 LYS 13 1HD LYS 13 -5.317 -0.559 -9.294
93 HE2 LYS 13 2HE LYS 13 -3.942 -2.464 -7.367
94 HE3 LYS 13 1HE LYS 13 -4.435 -2.890 -9.006
95 HZ1 LYS 13 3HZ LYS 13 -2.539 -0.716 -8.320
96 HZ2 LYS 13 1HZ LYS 13 -2.972 -1.210 -9.876
97 HZ3 LYS 13 2HZ LYS 13 -2.098 -2.250 -8.870
98 H LYS 14 H LYS 14 -7.383 -0.226 -4.237
99 HA LYS 14 HA LYS 14 -7.038 -1.019 -1.443
100 HB2 LYS 14 2HB LYS 14 -7.406 1.447 -1.385
101 HB3 LYS 14 1HB LYS 14 -8.856 1.282 -2.357
102 HG2 LYS 14 2HG LYS 14 -8.655 -0.009 0.375
103 HG3 LYS 14 1HG LYS 14 -9.055 1.700 0.205
104 HD2 LYS 14 2HD LYS 14 -11.014 1.031 -1.230
105 HD3 LYS 14 1HD LYS 14 -10.640 -0.659 -0.885
106 HE2 LYS 14 2HE LYS 14 -12.439 0.128 0.568
107 HE3 LYS 14 1HE LYS 14 -11.002 -0.221 1.531
108 HZ1 LYS 14 3HZ LYS 14 -10.478 2.165 1.439
109 HZ2 LYS 14 1HZ LYS 14 -11.938 1.847 2.226
110 HZ3 LYS 14 2HZ LYS 14 -11.936 2.442 0.644
111 H ARG 15 H ARG 15 -8.539 -2.631 -0.910
112 HA ARG 15 HA ARG 15 -11.149 -2.655 -2.165
113 HE ARG 15 HE ARG 15 -7.516 -7.230 -0.730
114 HB2 ARG 15 2HB ARG 15 -11.144 -4.766 -3.199
115 HB3 ARG 15 1HB ARG 15 -9.581 -4.120 -3.669
116 HG2 ARG 15 2HG ARG 15 -9.922 -6.007 -1.318
117 HG3 ARG 15 1HG ARG 15 -9.683 -6.591 -2.962
118 HD2 ARG 15 2HD ARG 15 -7.508 -5.338 -3.004
119 HD3 ARG 15 1HD ARG 15 -7.759 -4.937 -1.302
120 HH11 ARG 15 1HH1 ARG 15 -6.888 -6.684 -4.155
121 HH12 ARG 15 2HH1 ARG 15 -5.964 -8.137 -4.331
122 HH21 ARG 15 1HH2 ARG 15 -6.307 -9.130 -0.985
123 HH22 ARG 15 2HH2 ARG 15 -5.629 -9.521 -2.530
124 H ILE 16 H ILE 16 -12.668 -4.021 -1.089
125 HA ILE 16 HA ILE 16 -11.777 -5.387 1.385
126 HB ILE 16 HB ILE 16 -14.377 -3.837 0.947
127 HG12 ILE 16 2HG1 ILE 16 -12.213 -3.649 3.063
128 HG13 ILE 16 1HG1 ILE 16 -12.385 -2.537 1.706
129 HG21 ILE 16 1HG2 ILE 16 -13.730 -5.721 3.266
130 HG22 ILE 16 2HG2 ILE 16 -14.963 -5.987 2.030
131 HG23 ILE 16 3HG2 ILE 16 -15.137 -4.658 3.175
132 HD11 ILE 16 3HD1 ILE 16 -13.191 -1.532 3.739
133 HD12 ILE 16 1HD1 ILE 16 -14.307 -2.869 4.012
134 HD13 ILE 16 2HD1 ILE 16 -14.543 -1.784 2.637
135 H ARG 17 H ARG 17 -12.170 -7.463 1.391
136 HA ARG 17 HA ARG 17 -14.386 -8.701 0.035
137 HE ARG 17 HE ARG 17 -12.401 -13.104 -2.986
138 HB2 ARG 17 2HB ARG 17 -12.777 -8.496 -1.832
139 HB3 ARG 17 1HB ARG 17 -11.523 -9.271 -0.873
140 HG2 ARG 17 2HG ARG 17 -12.854 -11.383 -0.869
141 HG3 ARG 17 1HG ARG 17 -14.079 -10.591 -1.868
142 HD2 ARG 17 2HD ARG 17 -12.359 -10.225 -3.636
143 HD3 ARG 17 1HD ARG 17 -11.181 -11.089 -2.644
144 HH11 ARG 17 1HH1 ARG 17 -13.578 -10.460 -4.963
145 HH12 ARG 17 2HH1 ARG 17 -14.419 -11.492 -6.069
146 HH21 ARG 17 1HH2 ARG 17 -13.482 -14.462 -4.459
147 HH22 ARG 17 2HH2 ARG 17 -14.334 -13.767 -5.797
148 H LYS 18 H LYS 18 -15.007 -10.458 1.194
149 HA LYS 18 HA LYS 18 -15.195 -11.987 2.841
150 HB2 LYS 18 2HB LYS 18 -12.227 -12.352 2.277
151 HB3 LYS 18 1HB LYS 18 -13.110 -13.366 3.417
152 HG2 LYS 18 2HG LYS 18 -14.637 -14.054 1.529
153 HG3 LYS 18 1HG LYS 18 -13.591 -13.147 0.423
154 HD2 LYS 18 2HD LYS 18 -11.695 -14.595 0.937
155 HD3 LYS 18 1HD LYS 18 -12.602 -15.407 2.217
156 HE2 LYS 18 2HE LYS 18 -13.278 -15.522 -0.750
157 HE3 LYS 18 1HE LYS 18 -12.454 -16.786 0.169
158 HZ1 LYS 18 3HZ LYS 18 -15.221 -15.807 0.608
159 HZ2 LYS 18 1HZ LYS 18 -14.434 -16.924 1.599
160 HZ3 LYS 18 2HZ LYS 18 -14.765 -17.309 -0.009
161 H GLY 19 H GLY 19 -14.788 -9.246 3.538
162 HA2 GLY 19 2HA GLY 19 -14.663 -7.953 5.419
163 HA3 GLY 19 1HA GLY 19 -14.373 -9.410 6.354
164 H ARG 20 H ARG 20 -12.286 -8.721 3.683
165 HA ARG 20 HA ARG 20 -10.067 -7.999 5.500
166 HE ARG 20 HE ARG 20 -7.375 -10.536 2.764
167 HB2 ARG 20 2HB ARG 20 -9.951 -9.429 2.807
168 HB3 ARG 20 1HB ARG 20 -8.546 -8.913 3.745
169 HG2 ARG 20 2HG ARG 20 -9.104 -10.484 5.523
170 HG3 ARG 20 1HG ARG 20 -10.603 -10.932 4.698
171 HD2 ARG 20 2HD ARG 20 -8.774 -12.599 4.383
172 HD3 ARG 20 1HD ARG 20 -9.366 -11.926 2.866
173 HH11 ARG 20 1HH1 ARG 20 -7.232 -13.174 5.074
174 HH12 ARG 20 2HH1 ARG 20 -5.499 -13.251 5.060
175 HH21 ARG 20 1HH2 ARG 20 -5.106 -10.623 2.776
176 HH22 ARG 20 2HH2 ARG 20 -4.299 -11.803 3.758
177 H VAL 21 H VAL 21 -9.664 -5.908 5.364
178 HA VAL 21 HA VAL 21 -9.932 -4.482 2.814
179 HB VAL 21 HB VAL 21 -10.956 -3.404 4.786
180 HG11 VAL 21 1HG1 VAL 21 -9.651 -2.437 6.633
181 HG12 VAL 21 2HG1 VAL 21 -8.183 -3.188 6.004
182 HG13 VAL 21 3HG1 VAL 21 -9.505 -4.197 6.593
183 HG21 VAL 21 3HG2 VAL 21 -8.595 -1.869 3.654
184 HG22 VAL 21 1HG2 VAL 21 -9.995 -1.145 4.452
185 HG23 VAL 21 2HG2 VAL 21 -10.198 -2.018 2.934
186 H GLU 22 H GLU 22 -8.223 -4.677 1.550
187 HA GLU 22 HA GLU 22 -5.496 -4.748 2.707
188 HB2 GLU 22 2HB GLU 22 -6.539 -6.284 0.288
189 HB3 GLU 22 1HB GLU 22 -4.861 -6.270 0.832
190 HG2 GLU 22 2HG GLU 22 -5.464 -7.395 2.894
191 HG3 GLU 22 1HG GLU 22 -7.181 -7.284 2.512
192 H TYR 23 H TYR 23 -3.970 -3.584 1.731
193 HA TYR 23 HA TYR 23 -4.805 -1.622 -0.316
194 HD1 TYR 23 1HD TYR 23 -6.334 -0.555 0.707
195 HD2 TYR 23 2HD TYR 23 -3.685 -0.224 4.051
196 HE1 TYR 23 1HE TYR 23 -8.194 0.187 2.122
197 HE2 TYR 23 2HE TYR 23 -5.555 0.508 5.469
198 HH TYR 23 HH TYR 23 -7.705 1.434 5.331
199 HB2 TYR 23 2HB TYR 23 -2.890 -1.228 2.033
200 HB3 TYR 23 1HB TYR 23 -3.341 -0.001 0.851
201 H LEU 24 H LEU 24 -3.128 -0.861 -1.688
202 HA LEU 24 HA LEU 24 -1.060 -2.884 -2.229
203 HG LEU 24 HG LEU 24 0.243 -1.922 -4.574
204 HB2 LEU 24 2HB LEU 24 -2.750 -2.057 -4.020
205 HB3 LEU 24 1HB LEU 24 -1.835 -0.552 -4.026
206 HD11 LEU 24 1HD1 LEU 24 -0.069 -4.196 -5.429
207 HD12 LEU 24 2HD1 LEU 24 -1.778 -4.141 -5.005
208 HD13 LEU 24 3HD1 LEU 24 -0.548 -4.084 -3.738
209 HD21 LEU 24 3HD2 LEU 24 -2.019 -2.034 -6.588
210 HD22 LEU 24 1HD2 LEU 24 -0.299 -2.201 -6.952
211 HD23 LEU 24 2HD2 LEU 24 -0.922 -0.677 -6.324
212 H VAL 25 H VAL 25 0.924 -2.461 -1.472
213 HA VAL 25 HA VAL 25 1.696 0.233 -0.641
214 HB VAL 25 HB VAL 25 3.702 -0.821 0.309
215 HG11 VAL 25 1HG1 VAL 25 1.673 -0.827 1.690
216 HG12 VAL 25 2HG1 VAL 25 2.618 -2.282 2.007
217 HG13 VAL 25 3HG1 VAL 25 1.169 -2.374 1.001
218 HG21 VAL 25 3HG2 VAL 25 4.071 -3.277 0.197
219 HG22 VAL 25 1HG2 VAL 25 4.166 -2.518 -1.394
220 HG23 VAL 25 2HG2 VAL 25 2.722 -3.423 -0.935
221 H LYS 26 H LYS 26 3.405 1.410 -1.490
222 HA LYS 26 HA LYS 26 4.290 0.697 -4.217
223 HB2 LYS 26 2HB LYS 26 3.055 2.889 -3.778
224 HB3 LYS 26 1HB LYS 26 4.451 3.418 -2.854
225 HG2 LYS 26 2HG LYS 26 4.477 4.334 -5.132
226 HG3 LYS 26 1HG LYS 26 5.866 3.278 -4.852
227 HD2 LYS 26 2HD LYS 26 4.909 1.506 -6.172
228 HD3 LYS 26 1HD LYS 26 3.324 2.282 -6.204
229 HE2 LYS 26 2HE LYS 26 5.827 3.314 -7.588
230 HE3 LYS 26 1HE LYS 26 4.467 2.502 -8.371
231 HZ1 LYS 26 3HZ LYS 26 3.037 4.324 -7.574
232 HZ2 LYS 26 1HZ LYS 26 4.247 4.855 -8.625
233 HZ3 LYS 26 2HZ LYS 26 4.402 5.115 -6.962
234 H TRP 27 H TRP 27 6.164 -0.452 -4.039
235 HA TRP 27 HA TRP 27 8.093 0.026 -1.946
236 HD1 TRP 27 HD TRP 27 6.337 -3.745 -3.608
237 HE1 TRP 27 1HE TRP 27 5.671 -4.930 -1.427
238 HE3 TRP 27 3HE TRP 27 9.314 -1.170 -0.345
239 HZ2 TRP 27 2HZ TRP 27 6.302 -4.774 1.321
240 HZ3 TRP 27 3HZ TRP 27 9.216 -1.733 2.044
241 HH2 TRP 27 HH TRP 27 7.748 -3.496 2.859
242 HB2 TRP 27 2HB TRP 27 8.053 -1.920 -4.284
243 HB3 TRP 27 1HB TRP 27 9.409 -1.807 -3.167
244 H ARG 28 H ARG 28 9.072 1.990 -2.162
245 HA ARG 28 HA ARG 28 10.467 2.928 -4.458
246 HE ARG 28 HE ARG 28 8.635 7.173 -2.887
247 HB2 ARG 28 2HB ARG 28 10.876 3.466 -1.483
248 HB3 ARG 28 1HB ARG 28 11.822 4.265 -2.740
249 HG2 ARG 28 2HG ARG 28 9.747 5.241 -3.672
250 HG3 ARG 28 1HG ARG 28 8.807 4.456 -2.398
251 HD2 ARG 28 2HD ARG 28 9.889 5.792 -0.691
252 HD3 ARG 28 1HD ARG 28 11.039 6.459 -1.860
253 HH11 ARG 28 1HH1 ARG 28 9.959 7.633 0.351
254 HH12 ARG 28 2HH1 ARG 28 9.154 9.154 0.567
255 HH21 ARG 28 1HH2 ARG 28 7.586 9.106 -2.564
256 HH22 ARG 28 2HH2 ARG 28 7.822 9.983 -1.089
257 H GLY 29 H GLY 29 12.350 2.299 -5.295
258 HA2 GLY 29 2HA GLY 29 14.576 1.408 -5.242
259 HA3 GLY 29 1HA GLY 29 14.130 0.414 -3.859
260 H TRP 30 H TRP 30 11.490 -0.026 -5.424
261 HA TRP 30 HA TRP 30 12.414 -2.009 -7.420
262 HD1 TRP 30 HD TRP 30 11.576 -2.338 -3.261
263 HE1 TRP 30 1HE TRP 30 13.230 -4.080 -2.354
264 HE3 TRP 30 3HE TRP 30 12.202 -5.174 -7.488
265 HZ2 TRP 30 2HZ TRP 30 14.613 -6.354 -3.282
266 HZ3 TRP 30 3HZ TRP 30 13.711 -7.117 -7.390
267 HH2 TRP 30 HH TRP 30 14.895 -7.699 -5.326
268 HB2 TRP 30 2HB TRP 30 10.052 -2.260 -5.489
269 HB3 TRP 30 1HB TRP 30 10.438 -3.409 -6.772
270 H SER 31 H SER 31 10.805 -2.422 -9.114
271 HA SER 31 HA SER 31 9.494 0.006 -10.021
272 HG SER 31 HG SER 31 10.830 -3.291 -11.016
273 HB2 SER 31 2HB SER 31 9.032 -1.423 -12.082
274 HB3 SER 31 1HB SER 31 10.739 -1.238 -11.678
275 HA PRO 32 HA PRO 32 5.349 -0.552 -8.592
276 HB2 PRO 32 2HB PRO 32 4.355 -0.457 -11.444
277 HB3 PRO 32 1HB PRO 32 3.826 0.477 -10.035
278 HG2 PRO 32 2HG PRO 32 5.407 1.613 -11.837
279 HG3 PRO 32 1HG PRO 32 5.711 1.893 -10.109
280 HD2 PRO 32 2HD PRO 32 7.166 0.073 -12.024
281 HD3 PRO 32 1HD PRO 32 7.818 1.110 -10.734
282 H LYS 33 H LYS 33 6.294 -2.832 -11.102
283 HA LYS 33 HA LYS 33 4.049 -4.596 -10.890
284 HB2 LYS 33 2HB LYS 33 5.415 -6.222 -12.155
285 HB3 LYS 33 1HB LYS 33 5.408 -4.629 -12.902
286 HG2 LYS 33 2HG LYS 33 7.661 -4.176 -12.119
287 HG3 LYS 33 1HG LYS 33 7.684 -5.667 -11.169
288 HD2 LYS 33 2HD LYS 33 7.606 -7.019 -13.207
289 HD3 LYS 33 1HD LYS 33 7.421 -5.574 -14.207
290 HE2 LYS 33 2HE LYS 33 9.867 -6.173 -12.498
291 HE3 LYS 33 1HE LYS 33 9.737 -6.528 -14.223
292 HZ1 LYS 33 3HZ LYS 33 10.873 -4.444 -13.839
293 HZ2 LYS 33 1HZ LYS 33 9.539 -3.833 -12.999
294 HZ3 LYS 33 2HZ LYS 33 9.415 -4.174 -14.648
295 H TYR 34 H TYR 34 6.847 -4.158 -8.922
296 HA TYR 34 HA TYR 34 6.691 -6.738 -7.560
297 HD1 TYR 34 2HD TYR 34 9.251 -7.909 -7.112
298 HD2 TYR 34 1HD TYR 34 9.568 -4.209 -9.219
299 HE1 TYR 34 2HE TYR 34 10.865 -8.929 -8.657
300 HE2 TYR 34 1HE TYR 34 11.177 -5.232 -10.764
301 HH TYR 34 HH TYR 34 12.733 -7.080 -10.836
302 HB2 TYR 34 2HB TYR 34 8.429 -4.280 -7.088
303 HB3 TYR 34 1HB TYR 34 8.508 -5.723 -6.087
304 H ASN 35 H ASN 35 4.541 -4.494 -7.516
305 HA ASN 35 HA ASN 35 4.081 -3.591 -4.912
306 HB2 ASN 35 2HB ASN 35 1.698 -3.427 -5.636
307 HB3 ASN 35 1HB ASN 35 2.796 -2.814 -6.866
308 HD21 ASN 35 1HD2 ASN 35 0.647 -5.510 -6.029
309 HD22 ASN 35 2HD2 ASN 35 0.493 -6.115 -7.636
310 H THR 36 H THR 36 3.069 -4.503 -3.107
311 HA THR 36 HA THR 36 2.066 -7.284 -3.283
312 HB THR 36 HB THR 36 2.840 -7.599 -0.884
313 HG1 THR 36 1HG THR 36 3.281 -5.635 -0.070
314 HG21 THR 36 3HG2 THR 36 5.215 -8.022 -1.414
315 HG22 THR 36 1HG2 THR 36 5.064 -7.051 -2.882
316 HG23 THR 36 2HG2 THR 36 4.168 -8.564 -2.728
317 H TRP 37 H TRP 37 0.027 -7.558 -2.585
318 HA TRP 37 HA TRP 37 -1.509 -5.419 -1.391
319 HD1 TRP 37 HD TRP 37 -1.946 -8.106 -4.675
320 HE1 TRP 37 1HE TRP 37 -3.149 -6.689 -6.448
321 HE3 TRP 37 3HE TRP 37 -4.329 -4.785 -1.593
322 HZ2 TRP 37 2HZ TRP 37 -4.854 -4.455 -6.539
323 HZ3 TRP 37 3HZ TRP 37 -5.724 -3.027 -2.608
324 HH2 TRP 37 HH TRP 37 -5.981 -2.872 -5.031
325 HB2 TRP 37 2HB TRP 37 -2.187 -8.318 -2.051
326 HB3 TRP 37 1HB TRP 37 -3.327 -7.233 -1.263
327 H GLU 38 H GLU 38 -1.065 -4.928 0.634
328 HA GLU 38 HA GLU 38 -0.819 -7.039 2.684
329 HB2 GLU 38 2HB GLU 38 0.425 -4.258 2.638
330 HB3 GLU 38 1HB GLU 38 0.509 -5.382 3.998
331 HG2 GLU 38 2HG GLU 38 1.677 -7.021 2.487
332 HG3 GLU 38 1HG GLU 38 1.706 -5.779 1.232
333 HA PRO 39 HA PRO 39 -4.789 -5.400 4.126
334 HB2 PRO 39 2HB PRO 39 -4.737 -6.641 6.640
335 HB3 PRO 39 1HB PRO 39 -5.287 -7.402 5.143
336 HG2 PRO 39 2HG PRO 39 -2.581 -7.561 6.472
337 HG3 PRO 39 1HG PRO 39 -3.554 -8.867 5.760
338 HD2 PRO 39 2HD PRO 39 -1.496 -7.827 4.407
339 HD3 PRO 39 1HD PRO 39 -3.005 -8.236 3.555
340 H GLU 40 H GLU 40 -5.632 -4.191 6.073
341 HA GLU 40 HA GLU 40 -3.960 -1.946 6.585
342 HB2 GLU 40 2HB GLU 40 -6.432 -1.810 6.376
343 HB3 GLU 40 1HB GLU 40 -6.609 -2.691 7.889
344 HG2 GLU 40 2HG GLU 40 -5.587 -0.862 9.132
345 HG3 GLU 40 1HG GLU 40 -5.219 -0.003 7.634
346 H GLU 41 H GLU 41 -4.498 -4.924 8.312
347 HA GLU 41 HA GLU 41 -3.487 -4.172 10.872
348 HB2 GLU 41 2HB GLU 41 -3.232 -6.580 11.292
349 HB3 GLU 41 1HB GLU 41 -4.790 -6.249 10.538
350 HG2 GLU 41 2HG GLU 41 -4.003 -7.065 8.400
351 HG3 GLU 41 1HG GLU 41 -2.359 -7.233 9.011
352 H ASN 42 H ASN 42 -1.941 -4.714 7.819
353 HA ASN 42 HA ASN 42 0.772 -4.768 8.924
354 HB2 ASN 42 2HB ASN 42 -0.217 -4.590 6.039
355 HB3 ASN 42 1HB ASN 42 1.478 -4.681 6.505
356 HD21 ASN 42 1HD2 ASN 42 1.715 -6.562 5.285
357 HD22 ASN 42 2HD2 ASN 42 1.093 -8.088 5.801
358 H ILE 43 H ILE 43 -1.513 -2.557 7.396
359 HA ILE 43 HA ILE 43 0.379 -0.340 7.215
360 HB ILE 43 HB ILE 43 -2.601 -0.324 6.542
361 HG12 ILE 43 2HG1 ILE 43 -1.481 -2.047 5.169
362 HG13 ILE 43 1HG1 ILE 43 -1.949 -0.682 4.165
363 HG21 ILE 43 1HG2 ILE 43 -1.661 1.929 6.862
364 HG22 ILE 43 2HG2 ILE 43 -2.055 1.665 5.165
365 HG23 ILE 43 3HG2 ILE 43 -0.376 1.583 5.701
366 HD11 ILE 43 3HD1 ILE 43 0.216 -1.545 3.526
367 HD12 ILE 43 1HD1 ILE 43 0.838 -1.293 5.158
368 HD13 ILE 43 2HD1 ILE 43 0.384 0.091 4.160
369 H LEU 44 H LEU 44 0.782 -0.180 9.480
370 HA LEU 44 HA LEU 44 -1.289 1.054 11.178
371 HG LEU 44 HG LEU 44 0.446 -1.206 13.624
372 HB2 LEU 44 2HB LEU 44 1.523 0.046 11.730
373 HB3 LEU 44 1HB LEU 44 0.685 1.052 12.885
374 HD11 LEU 44 1HD1 LEU 44 -1.970 -1.553 13.661
375 HD12 LEU 44 2HD1 LEU 44 -2.175 -0.412 12.329
376 HD13 LEU 44 3HD1 LEU 44 -1.569 0.149 13.889
377 HD21 LEU 44 3HD2 LEU 44 1.012 -2.356 11.553
378 HD22 LEU 44 1HD2 LEU 44 -0.558 -1.941 10.861
379 HD23 LEU 44 2HD2 LEU 44 -0.459 -3.028 12.252
380 H ASP 45 H ASP 45 0.793 2.092 8.860
381 HA ASP 45 HA ASP 45 2.021 4.316 10.291
382 HB2 ASP 45 2HB ASP 45 3.392 2.893 8.844
383 HB3 ASP 45 1HB ASP 45 2.374 3.272 7.453
384 HA PRO 46 HA PRO 46 -1.281 7.066 9.008
385 HB2 PRO 46 2HB PRO 46 -0.179 9.483 9.710
386 HB3 PRO 46 1HB PRO 46 -0.770 8.313 10.899
387 HG2 PRO 46 2HG PRO 46 2.063 8.768 9.940
388 HG3 PRO 46 1HG PRO 46 1.469 8.592 11.606
389 HD2 PRO 46 2HD PRO 46 2.611 6.533 10.262
390 HD3 PRO 46 1HD PRO 46 1.288 6.267 11.425
391 H ARG 47 H ARG 47 2.019 7.706 7.794
392 HA ARG 47 HA ARG 47 1.496 9.614 5.791
393 HE ARG 47 HE ARG 47 4.562 11.995 8.148
394 HB2 ARG 47 2HB ARG 47 3.609 7.415 5.804
395 HB3 ARG 47 1HB ARG 47 3.614 8.801 4.716
396 HG2 ARG 47 2HG ARG 47 3.728 9.090 7.735
397 HG3 ARG 47 1HG ARG 47 5.172 8.890 6.736
398 HD2 ARG 47 2HD ARG 47 4.532 10.949 5.465
399 HD3 ARG 47 1HD ARG 47 3.157 11.154 6.554
400 HH11 ARG 47 1HH1 ARG 47 6.587 10.387 5.754
401 HH12 ARG 47 2HH1 ARG 47 8.061 10.978 6.443
402 HH21 ARG 47 1HH2 ARG 47 6.521 12.743 9.033
403 HH22 ARG 47 2HH2 ARG 47 8.024 12.312 8.280
404 H LEU 48 H LEU 48 1.389 6.082 5.711
405 HA LEU 48 HA LEU 48 0.799 5.775 2.930
406 HG LEU 48 HG LEU 48 2.456 4.179 5.482
407 HB2 LEU 48 2HB LEU 48 0.094 3.827 5.160
408 HB3 LEU 48 1HB LEU 48 0.310 3.457 3.452
409 HD11 LEU 48 1HD1 LEU 48 2.027 1.645 3.876
410 HD12 LEU 48 2HD1 LEU 48 1.716 1.869 5.600
411 HD13 LEU 48 3HD1 LEU 48 3.366 1.959 4.987
412 HD21 LEU 48 3HD2 LEU 48 3.045 5.332 3.440
413 HD22 LEU 48 1HD2 LEU 48 2.802 3.866 2.483
414 HD23 LEU 48 2HD2 LEU 48 4.116 3.953 3.660
415 H LEU 49 H LEU 49 -1.144 5.994 5.881
416 HA LEU 49 HA LEU 49 -3.689 5.560 4.665
417 HG LEU 49 HG LEU 49 -2.473 4.255 7.129
418 HB2 LEU 49 2HB LEU 49 -2.907 6.709 7.362
419 HB3 LEU 49 1HB LEU 49 -4.582 6.452 6.882
420 HD11 LEU 49 1HD1 LEU 49 -4.779 4.888 9.001
421 HD12 LEU 49 2HD1 LEU 49 -3.061 5.129 9.329
422 HD13 LEU 49 3HD1 LEU 49 -3.691 3.499 9.117
423 HD21 LEU 49 3HD2 LEU 49 -4.344 2.672 6.819
424 HD22 LEU 49 1HD2 LEU 49 -4.123 3.709 5.411
425 HD23 LEU 49 2HD2 LEU 49 -5.448 4.021 6.534
426 H ILE 50 H ILE 50 -1.695 8.438 4.996
427 HA ILE 50 HA ILE 50 -3.635 10.447 4.464
428 HB ILE 50 HB ILE 50 -0.708 10.389 3.555
429 HG12 ILE 50 2HG1 ILE 50 -0.815 10.246 5.989
430 HG13 ILE 50 1HG1 ILE 50 -0.243 11.844 5.544
431 HG21 ILE 50 1HG2 ILE 50 -0.867 12.859 3.347
432 HG22 ILE 50 2HG2 ILE 50 -2.593 12.776 3.705
433 HG23 ILE 50 3HG2 ILE 50 -1.961 12.030 2.237
434 HD11 ILE 50 3HD1 ILE 50 -1.762 11.955 7.398
435 HD12 ILE 50 1HD1 ILE 50 -3.016 11.122 6.483
436 HD13 ILE 50 2HD1 ILE 50 -2.489 12.737 5.995
437 H ALA 51 H ALA 51 -1.561 8.500 2.366
438 HA ALA 51 HA ALA 51 -2.489 9.381 -0.147
439 HB1 ALA 51 1HB ALA 51 -0.370 8.177 0.163
440 HB2 ALA 51 2HB ALA 51 -1.385 7.380 -1.041
441 HB3 ALA 51 3HB ALA 51 -1.252 6.710 0.589
442 H PHE 52 H PHE 52 -3.515 6.711 1.958
443 HA PHE 52 HA PHE 52 -5.385 5.370 0.403
444 HD1 PHE 52 1HD PHE 52 -6.956 3.234 1.410
445 HD2 PHE 52 2HD PHE 52 -7.178 6.131 4.548
446 HE1 PHE 52 1HE PHE 52 -9.207 2.451 1.993
447 HE2 PHE 52 2HE PHE 52 -9.433 5.332 5.122
448 HZ PHE 52 HZ PHE 52 -10.446 3.490 3.841
449 HB2 PHE 52 2HB PHE 52 -4.852 4.395 2.494
450 HB3 PHE 52 1HB PHE 52 -5.152 5.877 3.378
451 H GLN 53 H GLN 53 -5.940 8.162 2.556
452 HA GLN 53 HA GLN 53 -8.718 8.462 2.114
453 HB2 GLN 53 2HB GLN 53 -6.641 10.525 2.963
454 HB3 GLN 53 1HB GLN 53 -8.388 10.747 3.089
455 HG2 GLN 53 2HG GLN 53 -8.573 8.993 4.731
456 HG3 GLN 53 1HG GLN 53 -6.897 8.503 4.490
457 HE21 GLN 53 1HE2 GLN 53 -5.232 9.824 5.338
458 HE22 GLN 53 2HE2 GLN 53 -5.539 10.988 6.574
459 H ASN 54 H ASN 54 -5.908 9.852 0.483
460 HA ASN 54 HA ASN 54 -7.363 11.525 -1.349
461 HB2 ASN 54 2HB ASN 54 -4.483 10.517 -1.468
462 HB3 ASN 54 1HB ASN 54 -5.150 11.813 -2.463
463 HD21 ASN 54 1HD2 ASN 54 -2.920 11.887 -0.585
464 HD22 ASN 54 2HD2 ASN 54 -3.308 13.096 0.585
465 H ARG 55 H ARG 55 -6.510 8.170 -1.268
466 HA ARG 55 HA ARG 55 -6.650 7.734 -4.141
467 HE ARG 55 HE ARG 55 -5.067 4.873 -6.584
468 HB2 ARG 55 2HB ARG 55 -5.154 6.467 -2.306
469 HB3 ARG 55 1HB ARG 55 -6.564 5.430 -2.172
470 HG2 ARG 55 2HG ARG 55 -4.987 4.454 -3.730
471 HG3 ARG 55 1HG ARG 55 -6.420 4.980 -4.622
472 HD2 ARG 55 2HD ARG 55 -5.172 7.118 -5.182
473 HD3 ARG 55 1HD ARG 55 -3.727 6.380 -4.472
474 HH11 ARG 55 1HH1 ARG 55 -2.387 6.979 -5.751
475 HH12 ARG 55 2HH1 ARG 55 -1.544 6.687 -7.235
476 HH21 ARG 55 1HH2 ARG 55 -3.949 4.490 -8.502
477 HH22 ARG 55 2HH2 ARG 55 -2.430 5.271 -8.804
478 H GLU 56 H GLU 56 -8.743 7.489 -1.363
479 HA GLU 56 HA GLU 56 -10.899 6.038 -2.533
480 HB2 GLU 56 2HB GLU 56 -10.982 8.198 -0.379
481 HB3 GLU 56 1HB GLU 56 -12.296 7.084 -0.764
482 HG2 GLU 56 2HG GLU 56 -9.591 6.379 0.413
483 HG3 GLU 56 1HG GLU 56 -11.140 6.363 1.252
484 H ARG 57 H ARG 57 -9.785 9.325 -2.740
485 HA ARG 57 HA ARG 57 -12.156 10.496 -3.839
486 HE ARG 57 HE ARG 57 -10.983 14.188 -3.605
487 HB2 ARG 57 2HB ARG 57 -9.297 11.522 -3.728
488 HB3 ARG 57 1HB ARG 57 -10.690 12.482 -4.240
489 HG2 ARG 57 2HG ARG 57 -11.689 12.029 -1.932
490 HG3 ARG 57 1HG ARG 57 -10.116 11.361 -1.474
491 HD2 ARG 57 2HD ARG 57 -10.351 13.721 -0.776
492 HD3 ARG 57 1HD ARG 57 -9.050 13.530 -1.957
493 HH11 ARG 57 1HH1 ARG 57 -10.314 15.671 -0.497
494 HH12 ARG 57 2HH1 ARG 57 -11.022 17.189 -0.943
495 HH21 ARG 57 1HH2 ARG 57 -11.906 16.159 -4.172
496 HH22 ARG 57 2HH2 ARG 57 -11.886 17.478 -3.046
497 H GLN 58 H GLN 58 -9.844 8.458 -5.224
498 HA GLN 58 HA GLN 58 -9.817 9.526 -7.903
499 HB2 GLN 58 2HB GLN 58 -9.214 6.659 -7.044
500 HB3 GLN 58 1HB GLN 58 -8.733 7.432 -8.556
501 HG2 GLN 58 2HG GLN 58 -7.729 8.098 -5.770
502 HG3 GLN 58 1HG GLN 58 -6.832 7.273 -7.040
503 HE21 GLN 58 1HE2 GLN 58 -6.300 9.792 -5.529
504 HE22 GLN 58 2HE2 GLN 58 -6.033 10.992 -6.742
505 H GLU 59 H GLU 59 -11.980 7.508 -6.069
506 HA GLU 59 HA GLU 59 -13.639 6.781 -8.376
507 HB2 GLU 59 2HB GLU 59 -13.981 6.279 -5.386
508 HB3 GLU 59 1HB GLU 59 -15.070 5.671 -6.633
509 HG2 GLU 59 2HG GLU 59 -12.130 4.945 -6.325
510 HG3 GLU 59 1HG GLU 59 -13.498 3.942 -5.840
511 H GLN 60 H GLN 60 -13.376 9.299 -6.024
512 HA GLN 60 HA GLN 60 -16.139 10.199 -6.198
513 HB2 GLN 60 2HB GLN 60 -13.729 11.533 -4.867
514 HB3 GLN 60 1HB GLN 60 -15.414 12.010 -4.669
515 HG2 GLN 60 2HG GLN 60 -14.199 9.371 -3.783
516 HG3 GLN 60 1HG GLN 60 -14.579 10.734 -2.732
517 HE21 GLN 60 1HE2 GLN 60 -15.579 7.932 -2.712
518 HE22 GLN 60 2HE2 GLN 60 -17.300 8.066 -2.773
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 27.361 -2.350 5.625
2 H2 GLY 1 2HT GLY 1 27.046 -3.691 4.643
3 H3 GLY 1 3HT GLY 1 26.308 -3.561 6.158
4 HA2 GLY 1 1HA GLY 1 25.073 -1.624 5.434
5 HA3 GLY 1 2HA GLY 1 25.846 -1.752 3.858
6 H SER 2 H SER 2 23.417 -1.771 3.318
7 HA SER 2 HA SER 2 22.622 -4.552 2.816
8 HG SER 2 HG SER 2 19.165 -3.898 3.740
9 HB2 SER 2 2HB SER 2 21.413 -3.984 4.907
10 HB3 SER 2 1HB SER 2 20.746 -2.535 4.154
11 H GLU 3 H GLU 3 22.437 -4.611 0.717
12 HA GLU 3 HA GLU 3 21.554 -2.385 -0.928
13 HB2 GLU 3 2HB GLU 3 21.662 -4.388 -2.742
14 HB3 GLU 3 1HB GLU 3 23.093 -3.536 -2.196
15 HG2 GLU 3 2HG GLU 3 23.474 -5.950 -2.328
16 HG3 GLU 3 1HG GLU 3 23.672 -5.352 -0.686
17 H HIS 4 H HIS 4 20.052 -4.985 0.730
18 HA HIS 4 HA HIS 4 17.573 -5.034 -0.743
19 HD1 HIS 4 1HD HIS 4 19.943 -7.813 0.727
20 HD2 HIS 4 2HD HIS 4 15.951 -7.909 -0.435
21 HE1 HIS 4 1HE HIS 4 19.681 -9.924 -0.617
22 HE2 HIS 4 2HE HIS 4 17.308 -9.863 -1.446
23 HB2 HIS 4 2HB HIS 4 18.448 -6.114 1.954
24 HB3 HIS 4 1HB HIS 4 16.740 -6.080 1.533
25 H VAL 5 H VAL 5 17.003 -2.861 -0.993
26 HA VAL 5 HA VAL 5 16.557 -1.120 1.304
27 HB VAL 5 HB VAL 5 16.018 -0.631 -1.661
28 HG11 VAL 5 1HG1 VAL 5 14.597 0.820 -0.266
29 HG12 VAL 5 2HG1 VAL 5 15.850 1.778 -1.060
30 HG13 VAL 5 3HG1 VAL 5 16.011 1.353 0.644
31 HG21 VAL 5 3HG2 VAL 5 18.418 -0.974 -1.218
32 HG22 VAL 5 1HG2 VAL 5 18.371 0.246 0.058
33 HG23 VAL 5 2HG2 VAL 5 18.111 0.718 -1.622
34 H PHE 6 H PHE 6 14.714 -1.303 2.458
35 HA PHE 6 HA PHE 6 12.158 -1.890 1.067
36 HD1 PHE 6 2HD PHE 6 11.035 -4.262 1.067
37 HD2 PHE 6 1HD PHE 6 14.562 -4.554 3.467
38 HE1 PHE 6 2HE PHE 6 11.574 -6.418 0.018
39 HE2 PHE 6 1HE PHE 6 15.093 -6.713 2.415
40 HZ PHE 6 HZ PHE 6 13.602 -7.642 0.689
41 HB2 PHE 6 2HB PHE 6 13.033 -2.776 3.851
42 HB3 PHE 6 1HB PHE 6 11.386 -2.922 3.250
43 H ALA 7 H ALA 7 11.398 0.106 0.820
44 HA ALA 7 HA ALA 7 10.370 1.488 3.168
45 HB1 ALA 7 1HB ALA 7 11.152 3.712 2.384
46 HB2 ALA 7 2HB ALA 7 12.054 2.947 1.070
47 HB3 ALA 7 3HB ALA 7 12.519 2.661 2.749
48 H VAL 8 H VAL 8 8.306 1.987 2.757
49 HA VAL 8 HA VAL 8 7.157 1.504 0.138
50 HB VAL 8 HB VAL 8 5.778 2.410 2.701
51 HG11 VAL 8 1HG1 VAL 8 3.702 1.531 1.649
52 HG12 VAL 8 2HG1 VAL 8 4.605 1.164 0.176
53 HG13 VAL 8 3HG1 VAL 8 4.400 2.841 0.690
54 HG21 VAL 8 3HG2 VAL 8 5.151 0.058 3.044
55 HG22 VAL 8 1HG2 VAL 8 6.906 0.260 3.056
56 HG23 VAL 8 2HG2 VAL 8 6.105 -0.409 1.631
57 H GLU 9 H GLU 9 6.035 2.996 -1.073
58 HA GLU 9 HA GLU 9 6.676 5.812 -0.929
59 HB2 GLU 9 2HB GLU 9 6.636 4.645 -3.139
60 HB3 GLU 9 1HB GLU 9 4.950 4.214 -2.893
61 HG2 GLU 9 2HG GLU 9 4.980 6.023 -4.437
62 HG3 GLU 9 1HG GLU 9 4.396 6.678 -2.912
63 H SER 10 H SER 10 3.596 4.051 -1.493
64 HA SER 10 HA SER 10 2.288 4.645 0.892
65 HG SER 10 HG SER 10 0.787 7.568 0.947
66 HB2 SER 10 2HB SER 10 2.478 7.026 -0.230
67 HB3 SER 10 1HB SER 10 1.182 6.454 -1.283
68 H ILE 11 H ILE 11 -0.300 4.606 0.378
69 HA ILE 11 HA ILE 11 -0.821 2.091 -0.982
70 HB ILE 11 HB ILE 11 -2.671 4.010 0.507
71 HG12 ILE 11 2HG1 ILE 11 -1.584 1.288 1.377
72 HG13 ILE 11 1HG1 ILE 11 -0.927 2.836 1.900
73 HG21 ILE 11 1HG2 ILE 11 -4.388 2.213 0.469
74 HG22 ILE 11 2HG2 ILE 11 -3.342 1.244 -0.572
75 HG23 ILE 11 3HG2 ILE 11 -3.991 2.776 -1.160
76 HD11 ILE 11 3HD1 ILE 11 -2.353 1.847 3.598
77 HD12 ILE 11 1HD1 ILE 11 -3.713 1.822 2.475
78 HD13 ILE 11 2HD1 ILE 11 -3.036 3.363 3.012
79 H GLU 12 H GLU 12 -1.313 1.944 -3.050
80 HA GLU 12 HA GLU 12 -1.954 4.288 -4.684
81 HB2 GLU 12 2HB GLU 12 -1.507 1.398 -5.552
82 HB3 GLU 12 1HB GLU 12 -1.540 2.823 -6.592
83 HG2 GLU 12 2HG GLU 12 0.532 3.639 -5.515
84 HG3 GLU 12 1HG GLU 12 0.561 2.202 -4.490
85 H LYS 13 H LYS 13 -3.272 1.118 -3.888
86 HA LYS 13 HA LYS 13 -5.988 1.858 -4.701
87 HB2 LYS 13 2HB LYS 13 -4.278 -0.325 -5.916
88 HB3 LYS 13 1HB LYS 13 -6.002 -0.608 -5.767
89 HG2 LYS 13 2HG LYS 13 -6.550 0.830 -7.461
90 HG3 LYS 13 1HG LYS 13 -5.278 1.980 -7.056
91 HD2 LYS 13 2HD LYS 13 -4.655 -0.700 -8.353
92 HD3 LYS 13 1HD LYS 13 -5.078 0.725 -9.312
93 HE2 LYS 13 2HE LYS 13 -3.175 1.946 -8.367
94 HE3 LYS 13 1HE LYS 13 -2.780 0.569 -7.334
95 HZ1 LYS 13 3HZ LYS 13 -1.417 0.729 -9.337
96 HZ2 LYS 13 1HZ LYS 13 -2.791 0.501 -10.293
97 HZ3 LYS 13 2HZ LYS 13 -2.273 -0.722 -9.246
98 H LYS 14 H LYS 14 -7.524 0.094 -4.063
99 HA LYS 14 HA LYS 14 -6.836 -1.341 -1.621
100 HB2 LYS 14 2HB LYS 14 -8.316 -0.100 -0.184
101 HB3 LYS 14 1HB LYS 14 -7.296 1.073 -0.977
102 HG2 LYS 14 2HG LYS 14 -9.315 2.173 -1.124
103 HG3 LYS 14 1HG LYS 14 -9.360 1.281 -2.642
104 HD2 LYS 14 2HD LYS 14 -11.521 1.029 -1.620
105 HD3 LYS 14 1HD LYS 14 -10.694 -0.513 -1.458
106 HE2 LYS 14 2HE LYS 14 -11.776 -0.127 0.614
107 HE3 LYS 14 1HE LYS 14 -10.064 0.202 0.899
108 HZ1 LYS 14 3HZ LYS 14 -12.188 2.214 0.408
109 HZ2 LYS 14 1HZ LYS 14 -10.546 2.571 0.593
110 HZ3 LYS 14 2HZ LYS 14 -11.422 1.908 1.879
111 H ARG 15 H ARG 15 -8.632 -2.682 -0.845
112 HA ARG 15 HA ARG 15 -11.197 -2.600 -2.087
113 HE ARG 15 HE ARG 15 -7.625 -5.138 -4.745
114 HB2 ARG 15 2HB ARG 15 -11.349 -4.784 -3.094
115 HB3 ARG 15 1HB ARG 15 -9.948 -3.999 -3.812
116 HG2 ARG 15 2HG ARG 15 -9.658 -5.878 -1.465
117 HG3 ARG 15 1HG ARG 15 -9.778 -6.506 -3.106
118 HD2 ARG 15 2HD ARG 15 -7.730 -4.385 -2.508
119 HD3 ARG 15 1HD ARG 15 -7.439 -6.029 -1.944
120 HH11 ARG 15 1HH1 ARG 15 -6.962 -7.722 -2.449
121 HH12 ARG 15 2HH1 ARG 15 -6.231 -8.755 -3.631
122 HH21 ARG 15 1HH2 ARG 15 -6.670 -6.511 -6.293
123 HH22 ARG 15 2HH2 ARG 15 -6.051 -8.056 -5.811
124 H ILE 16 H ILE 16 -12.740 -3.728 -0.919
125 HA ILE 16 HA ILE 16 -11.892 -5.220 1.493
126 HB ILE 16 HB ILE 16 -14.337 -3.447 1.053
127 HG12 ILE 16 2HG1 ILE 16 -12.207 -3.480 3.213
128 HG13 ILE 16 1HG1 ILE 16 -12.216 -2.377 1.843
129 HG21 ILE 16 1HG2 ILE 16 -13.955 -5.393 3.373
130 HG22 ILE 16 2HG2 ILE 16 -15.188 -5.507 2.114
131 HG23 ILE 16 3HG2 ILE 16 -15.223 -4.169 3.260
132 HD11 ILE 16 3HD1 ILE 16 -14.222 -2.475 4.107
133 HD12 ILE 16 1HD1 ILE 16 -14.317 -1.394 2.712
134 HD13 ILE 16 2HD1 ILE 16 -12.972 -1.261 3.839
135 H ARG 17 H ARG 17 -12.699 -7.218 1.756
136 HA ARG 17 HA ARG 17 -14.937 -8.232 0.282
137 HE ARG 17 HE ARG 17 -16.093 -12.002 -1.915
138 HB2 ARG 17 2HB ARG 17 -12.686 -8.388 -1.165
139 HB3 ARG 17 1HB ARG 17 -12.335 -9.762 -0.134
140 HG2 ARG 17 2HG ARG 17 -14.896 -9.553 -1.753
141 HG3 ARG 17 1HG ARG 17 -13.405 -10.207 -2.428
142 HD2 ARG 17 2HD ARG 17 -13.391 -11.973 -0.718
143 HD3 ARG 17 1HD ARG 17 -14.866 -11.308 -0.009
144 HH11 ARG 17 1HH1 ARG 17 -12.746 -13.114 -2.075
145 HH12 ARG 17 2HH1 ARG 17 -13.107 -14.389 -3.190
146 HH21 ARG 17 1HH2 ARG 17 -16.539 -13.702 -3.348
147 HH22 ARG 17 2HH2 ARG 17 -15.258 -14.741 -3.887
148 H LYS 18 H LYS 18 -15.986 -9.623 1.624
149 HA LYS 18 HA LYS 18 -16.584 -10.826 3.447
150 HB2 LYS 18 2HB LYS 18 -13.662 -11.696 3.435
151 HB3 LYS 18 1HB LYS 18 -14.883 -12.380 4.510
152 HG2 LYS 18 2HG LYS 18 -14.939 -12.495 1.477
153 HG3 LYS 18 1HG LYS 18 -14.464 -13.813 2.553
154 HD2 LYS 18 2HD LYS 18 -16.756 -13.821 3.521
155 HD3 LYS 18 1HD LYS 18 -17.220 -12.520 2.417
156 HE2 LYS 18 2HE LYS 18 -16.773 -14.016 0.494
157 HE3 LYS 18 1HE LYS 18 -16.329 -15.310 1.613
158 HZ1 LYS 18 3HZ LYS 18 -18.574 -15.204 2.535
159 HZ2 LYS 18 1HZ LYS 18 -18.590 -15.563 0.882
160 HZ3 LYS 18 2HZ LYS 18 -18.989 -14.010 1.412
161 H GLY 19 H GLY 19 -15.725 -8.042 3.745
162 HA2 GLY 19 2HA GLY 19 -15.574 -6.497 5.451
163 HA3 GLY 19 1HA GLY 19 -15.752 -7.812 6.596
164 H ARG 20 H ARG 20 -13.216 -8.252 4.388
165 HA ARG 20 HA ARG 20 -11.143 -7.313 6.286
166 HE ARG 20 HE ARG 20 -11.221 -11.699 8.410
167 HB2 ARG 20 2HB ARG 20 -11.092 -9.678 4.349
168 HB3 ARG 20 1HB ARG 20 -9.697 -9.115 5.273
169 HG2 ARG 20 2HG ARG 20 -10.943 -9.594 7.378
170 HG3 ARG 20 1HG ARG 20 -12.276 -10.238 6.416
171 HD2 ARG 20 2HD ARG 20 -10.876 -12.039 5.590
172 HD3 ARG 20 1HD ARG 20 -9.443 -11.329 6.352
173 HH11 ARG 20 1HH1 ARG 20 -9.812 -13.867 6.038
174 HH12 ARG 20 2HH1 ARG 20 -9.742 -15.206 7.133
175 HH21 ARG 20 1HH2 ARG 20 -11.151 -13.444 9.829
176 HH22 ARG 20 2HH2 ARG 20 -10.525 -14.969 9.289
177 H VAL 21 H VAL 21 -9.401 -6.187 5.418
178 HA VAL 21 HA VAL 21 -9.723 -5.253 2.623
179 HB VAL 21 HB VAL 21 -10.648 -3.605 4.226
180 HG11 VAL 21 1HG1 VAL 21 -7.857 -3.376 5.390
181 HG12 VAL 21 2HG1 VAL 21 -9.276 -4.040 6.199
182 HG13 VAL 21 3HG1 VAL 21 -9.227 -2.328 5.776
183 HG21 VAL 21 3HG2 VAL 21 -8.152 -2.641 2.793
184 HG22 VAL 21 1HG2 VAL 21 -9.468 -1.609 3.361
185 HG23 VAL 21 2HG2 VAL 21 -9.767 -2.806 2.101
186 H GLU 22 H GLU 22 -7.910 -5.129 1.406
187 HA GLU 22 HA GLU 22 -5.300 -4.895 2.754
188 HB2 GLU 22 2HB GLU 22 -4.194 -6.304 1.013
189 HB3 GLU 22 1HB GLU 22 -5.264 -7.201 2.076
190 HG2 GLU 22 2HG GLU 22 -6.181 -6.270 -0.647
191 HG3 GLU 22 1HG GLU 22 -5.250 -7.750 -0.450
192 H TYR 23 H TYR 23 -3.636 -3.987 1.464
193 HA TYR 23 HA TYR 23 -4.635 -1.902 -0.373
194 HD1 TYR 23 1HD TYR 23 -6.022 -0.538 0.378
195 HD2 TYR 23 2HD TYR 23 -3.905 -0.821 4.080
196 HE1 TYR 23 1HE TYR 23 -8.036 0.198 1.567
197 HE2 TYR 23 2HE TYR 23 -5.926 -0.085 5.284
198 HH TYR 23 HH TYR 23 -8.016 1.222 4.763
199 HB2 TYR 23 2HB TYR 23 -2.838 -1.542 2.069
200 HB3 TYR 23 1HB TYR 23 -3.163 -0.287 0.877
201 H LEU 24 H LEU 24 -3.271 -1.310 -1.962
202 HA LEU 24 HA LEU 24 -0.965 -3.003 -2.507
203 HG LEU 24 HG LEU 24 0.021 -1.402 -5.066
204 HB2 LEU 24 2HB LEU 24 -2.716 -2.431 -4.234
205 HB3 LEU 24 1HB LEU 24 -2.187 -0.759 -4.173
206 HD11 LEU 24 1HD1 LEU 24 0.243 -3.636 -4.111
207 HD12 LEU 24 2HD1 LEU 24 0.453 -3.694 -5.859
208 HD13 LEU 24 3HD1 LEU 24 -1.066 -4.231 -5.137
209 HD21 LEU 24 3HD2 LEU 24 -0.682 -2.034 -7.337
210 HD22 LEU 24 1HD2 LEU 24 -1.756 -0.813 -6.654
211 HD23 LEU 24 2HD2 LEU 24 -2.271 -2.501 -6.726
212 H VAL 25 H VAL 25 0.796 -2.388 -1.355
213 HA VAL 25 HA VAL 25 1.559 0.435 -1.088
214 HB VAL 25 HB VAL 25 3.512 -0.458 0.248
215 HG11 VAL 25 1HG1 VAL 25 0.748 -1.230 1.252
216 HG12 VAL 25 2HG1 VAL 25 1.501 0.363 1.363
217 HG13 VAL 25 3HG1 VAL 25 2.182 -0.993 2.261
218 HG21 VAL 25 3HG2 VAL 25 2.104 -3.152 0.020
219 HG22 VAL 25 1HG2 VAL 25 3.470 -2.793 1.083
220 HG23 VAL 25 2HG2 VAL 25 3.677 -2.741 -0.667
221 H LYS 26 H LYS 26 2.585 1.350 -2.676
222 HA LYS 26 HA LYS 26 4.209 -0.028 -4.623
223 HB2 LYS 26 2HB LYS 26 3.043 2.058 -5.227
224 HB3 LYS 26 1HB LYS 26 3.889 2.935 -3.964
225 HG2 LYS 26 2HG LYS 26 4.814 3.423 -6.185
226 HG3 LYS 26 1HG LYS 26 6.005 2.661 -5.128
227 HD2 LYS 26 2HD LYS 26 5.536 0.465 -6.265
228 HD3 LYS 26 1HD LYS 26 4.446 1.308 -7.377
229 HE2 LYS 26 2HE LYS 26 6.652 0.966 -8.401
230 HE3 LYS 26 1HE LYS 26 6.345 2.686 -8.173
231 HZ1 LYS 26 3HZ LYS 26 8.609 1.964 -7.559
232 HZ2 LYS 26 1HZ LYS 26 7.959 1.023 -6.316
233 HZ3 LYS 26 2HZ LYS 26 7.784 2.704 -6.284
234 H TRP 27 H TRP 27 6.161 -0.877 -3.949
235 HA TRP 27 HA TRP 27 7.612 0.199 -1.712
236 HD1 TRP 27 HD TRP 27 6.258 -3.626 -2.840
237 HE1 TRP 27 1HE TRP 27 5.631 -4.609 -0.548
238 HE3 TRP 27 3HE TRP 27 9.438 -0.926 0.114
239 HZ2 TRP 27 2HZ TRP 27 6.369 -4.292 2.150
240 HZ3 TRP 27 3HZ TRP 27 9.397 -1.297 2.543
241 HH2 TRP 27 HH TRP 27 7.906 -2.952 3.538
242 HB2 TRP 27 2HB TRP 27 8.206 -2.024 -3.699
243 HB3 TRP 27 1HB TRP 27 9.386 -1.520 -2.489
244 H ARG 28 H ARG 28 8.581 2.044 -1.829
245 HA ARG 28 HA ARG 28 9.416 3.358 -4.231
246 HE ARG 28 HE ARG 28 8.945 8.203 -3.300
247 HB2 ARG 28 2HB ARG 28 8.564 4.393 -1.981
248 HB3 ARG 28 1HB ARG 28 10.207 4.161 -1.400
249 HG2 ARG 28 2HG ARG 28 11.046 5.626 -3.222
250 HG3 ARG 28 1HG ARG 28 9.388 5.862 -3.781
251 HD2 ARG 28 2HD ARG 28 8.982 6.727 -1.307
252 HD3 ARG 28 1HD ARG 28 10.740 6.935 -1.297
253 HH11 ARG 28 1HH1 ARG 28 11.720 8.500 -1.133
254 HH12 ARG 28 2HH1 ARG 28 12.018 10.145 -1.584
255 HH21 ARG 28 1HH2 ARG 28 9.367 10.352 -3.848
256 HH22 ARG 28 2HH2 ARG 28 10.689 11.188 -3.103
257 H GLY 29 H GLY 29 11.266 3.004 -5.280
258 HA2 GLY 29 2HA GLY 29 13.703 2.775 -5.317
259 HA3 GLY 29 1HA GLY 29 13.579 1.705 -3.924
260 H TRP 30 H TRP 30 11.209 0.364 -4.896
261 HA TRP 30 HA TRP 30 12.377 -1.469 -6.870
262 HD1 TRP 30 HD TRP 30 11.377 -1.441 -2.893
263 HE1 TRP 30 1HE TRP 30 12.863 -3.167 -1.714
264 HE3 TRP 30 3HE TRP 30 11.974 -4.792 -6.724
265 HZ2 TRP 30 2HZ TRP 30 14.132 -5.602 -2.296
266 HZ3 TRP 30 3HZ TRP 30 13.347 -6.795 -6.324
267 HH2 TRP 30 HH TRP 30 14.408 -7.193 -4.154
268 HB2 TRP 30 2HB TRP 30 9.854 -1.658 -5.159
269 HB3 TRP 30 1HB TRP 30 10.348 -2.881 -6.323
270 H SER 31 H SER 31 10.830 -2.359 -8.534
271 HA SER 31 HA SER 31 9.720 -0.244 -10.154
272 HG SER 31 HG SER 31 11.712 -1.366 -10.727
273 HB2 SER 31 2HB SER 31 9.795 -3.266 -10.575
274 HB3 SER 31 1HB SER 31 9.381 -2.071 -11.810
275 HA PRO 32 HA PRO 32 5.340 -0.590 -9.094
276 HB2 PRO 32 2HB PRO 32 4.655 -0.538 -12.011
277 HB3 PRO 32 1HB PRO 32 4.182 0.580 -10.723
278 HG2 PRO 32 2HG PRO 32 5.999 1.303 -12.540
279 HG3 PRO 32 1HG PRO 32 6.199 1.765 -10.834
280 HD2 PRO 32 2HD PRO 32 7.530 -0.488 -12.352
281 HD3 PRO 32 1HD PRO 32 8.252 0.705 -11.244
282 H LYS 33 H LYS 33 6.870 -3.127 -10.683
283 HA LYS 33 HA LYS 33 4.485 -4.856 -10.647
284 HB2 LYS 33 2HB LYS 33 6.006 -6.584 -11.672
285 HB3 LYS 33 1HB LYS 33 5.798 -5.129 -12.644
286 HG2 LYS 33 2HG LYS 33 7.997 -4.301 -11.813
287 HG3 LYS 33 1HG LYS 33 8.207 -5.820 -10.929
288 HD2 LYS 33 2HD LYS 33 8.181 -7.075 -13.042
289 HD3 LYS 33 1HD LYS 33 7.869 -5.593 -13.950
290 HE2 LYS 33 2HE LYS 33 10.069 -4.706 -13.223
291 HE3 LYS 33 1HE LYS 33 10.382 -6.212 -12.355
292 HZ1 LYS 33 3HZ LYS 33 11.441 -6.203 -14.517
293 HZ2 LYS 33 1HZ LYS 33 9.952 -5.955 -15.285
294 HZ3 LYS 33 2HZ LYS 33 10.249 -7.399 -14.457
295 H TYR 34 H TYR 34 7.171 -4.024 -8.674
296 HA TYR 34 HA TYR 34 7.048 -6.486 -7.042
297 HD1 TYR 34 2HD TYR 34 9.437 -7.768 -6.517
298 HD2 TYR 34 1HD TYR 34 10.047 -4.464 -9.160
299 HE1 TYR 34 2HE TYR 34 10.883 -9.164 -7.920
300 HE2 TYR 34 1HE TYR 34 11.496 -5.866 -10.571
301 HH TYR 34 HH TYR 34 11.637 -9.233 -10.286
302 HB2 TYR 34 2HB TYR 34 8.954 -4.105 -7.035
303 HB3 TYR 34 1HB TYR 34 8.997 -5.369 -5.810
304 H ASN 35 H ASN 35 5.173 -3.919 -7.201
305 HA ASN 35 HA ASN 35 4.918 -3.075 -4.464
306 HB2 ASN 35 2HB ASN 35 2.810 -2.013 -5.268
307 HB3 ASN 35 1HB ASN 35 4.177 -1.620 -6.301
308 HD21 ASN 35 1HD2 ASN 35 1.401 -1.451 -6.966
309 HD22 ASN 35 2HD2 ASN 35 1.125 -2.502 -8.307
310 H THR 36 H THR 36 3.608 -3.997 -2.849
311 HA THR 36 HA THR 36 2.511 -6.686 -3.485
312 HB THR 36 HB THR 36 3.065 -7.290 -1.128
313 HG1 THR 36 1HG THR 36 3.220 -5.525 0.087
314 HG21 THR 36 3HG2 THR 36 5.456 -6.170 -2.648
315 HG22 THR 36 1HG2 THR 36 4.758 -7.778 -2.872
316 HG23 THR 36 2HG2 THR 36 5.529 -7.356 -1.342
317 H TRP 37 H TRP 37 0.434 -7.203 -2.905
318 HA TRP 37 HA TRP 37 -1.306 -5.287 -1.583
319 HD1 TRP 37 HD TRP 37 -1.462 -7.605 -5.195
320 HE1 TRP 37 1HE TRP 37 -2.697 -6.077 -6.849
321 HE3 TRP 37 3HE TRP 37 -4.158 -4.790 -1.858
322 HZ2 TRP 37 2HZ TRP 37 -4.548 -3.952 -6.765
323 HZ3 TRP 37 3HZ TRP 37 -5.624 -3.012 -2.733
324 HH2 TRP 37 HH TRP 37 -5.813 -2.601 -5.140
325 HB2 TRP 37 2HB TRP 37 -1.767 -8.126 -2.604
326 HB3 TRP 37 1HB TRP 37 -3.007 -7.212 -1.753
327 H GLU 38 H GLU 38 -0.993 -5.031 0.550
328 HA GLU 38 HA GLU 38 -0.799 -7.418 2.289
329 HB2 GLU 38 2HB GLU 38 0.666 -4.765 2.607
330 HB3 GLU 38 1HB GLU 38 0.613 -6.028 3.836
331 HG2 GLU 38 2HG GLU 38 1.709 -7.582 2.178
332 HG3 GLU 38 1HG GLU 38 1.895 -6.201 1.094
333 HA PRO 39 HA PRO 39 -4.597 -5.846 4.070
334 HB2 PRO 39 2HB PRO 39 -4.396 -7.066 6.587
335 HB3 PRO 39 1HB PRO 39 -5.016 -7.838 5.123
336 HG2 PRO 39 2HG PRO 39 -2.260 -7.971 6.324
337 HG3 PRO 39 1HG PRO 39 -3.241 -9.275 5.622
338 HD2 PRO 39 2HD PRO 39 -1.243 -8.172 4.221
339 HD3 PRO 39 1HD PRO 39 -2.764 -8.622 3.416
340 H GLU 40 H GLU 40 -5.425 -4.639 5.971
341 HA GLU 40 HA GLU 40 -3.935 -2.273 6.344
342 HB2 GLU 40 2HB GLU 40 -6.409 -2.367 6.355
343 HB3 GLU 40 1HB GLU 40 -6.379 -3.246 7.881
344 HG2 GLU 40 2HG GLU 40 -5.347 -1.269 8.977
345 HG3 GLU 40 1HG GLU 40 -5.405 -0.403 7.441
346 H GLU 41 H GLU 41 -4.227 -5.141 8.307
347 HA GLU 41 HA GLU 41 -3.103 -4.247 10.740
348 HB2 GLU 41 2HB GLU 41 -2.752 -6.669 11.195
349 HB3 GLU 41 1HB GLU 41 -4.364 -6.321 10.574
350 HG2 GLU 41 2HG GLU 41 -3.540 -7.036 8.289
351 HG3 GLU 41 1HG GLU 41 -2.049 -7.568 9.065
352 H ASN 42 H ASN 42 -1.655 -5.242 7.693
353 HA ASN 42 HA ASN 42 1.079 -5.326 8.647
354 HB2 ASN 42 2HB ASN 42 -0.095 -5.286 5.830
355 HB3 ASN 42 1HB ASN 42 1.634 -5.369 6.150
356 HD21 ASN 42 1HD2 ASN 42 1.747 -7.356 5.059
357 HD22 ASN 42 2HD2 ASN 42 1.163 -8.823 5.753
358 H ILE 43 H ILE 43 -1.118 -2.882 7.579
359 HA ILE 43 HA ILE 43 0.920 -0.899 6.950
360 HB ILE 43 HB ILE 43 -2.100 -0.446 7.141
361 HG12 ILE 43 2HG1 ILE 43 -1.718 -2.225 5.474
362 HG13 ILE 43 1HG1 ILE 43 -2.208 -0.742 4.670
363 HG21 ILE 43 1HG2 ILE 43 -0.772 1.613 7.200
364 HG22 ILE 43 2HG2 ILE 43 -1.651 1.499 5.675
365 HG23 ILE 43 3HG2 ILE 43 0.079 1.142 5.723
366 HD11 ILE 43 3HD1 ILE 43 0.134 -0.337 4.039
367 HD12 ILE 43 1HD1 ILE 43 -0.486 -1.867 3.420
368 HD13 ILE 43 2HD1 ILE 43 0.590 -1.856 4.815
369 H LEU 44 H LEU 44 1.975 -0.757 8.961
370 HA LEU 44 HA LEU 44 0.545 0.227 11.317
371 HG LEU 44 HG LEU 44 3.265 -1.953 12.735
372 HB2 LEU 44 2HB LEU 44 3.456 -0.447 10.763
373 HB3 LEU 44 1HB LEU 44 2.979 0.375 12.236
374 HD11 LEU 44 1HD1 LEU 44 1.429 -0.833 13.897
375 HD12 LEU 44 2HD1 LEU 44 1.111 -2.553 13.683
376 HD13 LEU 44 3HD1 LEU 44 0.296 -1.371 12.654
377 HD21 LEU 44 3HD2 LEU 44 2.032 -3.768 11.655
378 HD22 LEU 44 1HD2 LEU 44 3.029 -2.898 10.491
379 HD23 LEU 44 2HD2 LEU 44 1.286 -2.623 10.537
380 H ASP 45 H ASP 45 1.957 1.546 8.527
381 HA ASP 45 HA ASP 45 2.919 4.017 9.766
382 HB2 ASP 45 2HB ASP 45 4.327 2.829 8.078
383 HB3 ASP 45 1HB ASP 45 3.076 3.086 6.869
384 HA PRO 46 HA PRO 46 -1.121 5.878 8.780
385 HB2 PRO 46 2HB PRO 46 0.016 8.372 9.940
386 HB3 PRO 46 1HB PRO 46 -1.364 7.406 10.482
387 HG2 PRO 46 2HG PRO 46 0.943 7.437 11.862
388 HG3 PRO 46 1HG PRO 46 -0.026 5.950 11.733
389 HD2 PRO 46 2HD PRO 46 2.428 6.760 10.143
390 HD3 PRO 46 1HD PRO 46 2.075 5.214 10.955
391 H ARG 47 H ARG 47 1.946 6.968 7.540
392 HA ARG 47 HA ARG 47 0.927 9.194 5.996
393 HE ARG 47 HE ARG 47 4.553 10.189 9.300
394 HB2 ARG 47 2HB ARG 47 3.578 7.734 5.641
395 HB3 ARG 47 1HB ARG 47 3.142 9.258 4.890
396 HG2 ARG 47 2HG ARG 47 4.568 9.883 6.650
397 HG3 ARG 47 1HG ARG 47 2.960 10.195 7.306
398 HD2 ARG 47 2HD ARG 47 3.051 8.058 8.529
399 HD3 ARG 47 1HD ARG 47 4.637 7.721 7.834
400 HH11 ARG 47 1HH1 ARG 47 5.043 6.714 9.591
401 HH12 ARG 47 2HH1 ARG 47 5.827 6.838 11.131
402 HH21 ARG 47 1HH2 ARG 47 5.595 10.332 11.305
403 HH22 ARG 47 2HH2 ARG 47 6.136 8.897 12.103
404 H LEU 48 H LEU 48 1.412 5.755 5.513
405 HA LEU 48 HA LEU 48 0.909 5.633 2.711
406 HG LEU 48 HG LEU 48 2.459 3.807 5.261
407 HB2 LEU 48 2HB LEU 48 0.160 3.465 4.715
408 HB3 LEU 48 1HB LEU 48 0.509 3.270 3.001
409 HD11 LEU 48 1HD1 LEU 48 2.297 1.506 3.291
410 HD12 LEU 48 2HD1 LEU 48 1.809 1.478 4.990
411 HD13 LEU 48 3HD1 LEU 48 3.502 1.710 4.568
412 HD21 LEU 48 3HD2 LEU 48 3.096 3.906 2.299
413 HD22 LEU 48 1HD2 LEU 48 4.276 3.917 3.609
414 HD23 LEU 48 2HD2 LEU 48 3.146 5.253 3.439
415 H LEU 49 H LEU 49 -1.127 5.586 5.573
416 HA LEU 49 HA LEU 49 -3.644 5.050 4.411
417 HG LEU 49 HG LEU 49 -2.090 4.212 7.093
418 HB2 LEU 49 2HB LEU 49 -2.984 6.525 6.984
419 HB3 LEU 49 1HB LEU 49 -4.574 5.904 6.562
420 HD11 LEU 49 1HD1 LEU 49 -2.951 5.234 9.142
421 HD12 LEU 49 2HD1 LEU 49 -3.233 3.496 9.144
422 HD13 LEU 49 3HD1 LEU 49 -4.568 4.604 8.809
423 HD21 LEU 49 3HD2 LEU 49 -4.930 3.322 6.494
424 HD22 LEU 49 1HD2 LEU 49 -3.593 2.269 6.965
425 HD23 LEU 49 2HD2 LEU 49 -3.528 3.138 5.435
426 H ILE 50 H ILE 50 -1.758 7.990 4.538
427 HA ILE 50 HA ILE 50 -3.829 9.882 4.131
428 HB ILE 50 HB ILE 50 -0.905 10.051 3.281
429 HG12 ILE 50 2HG1 ILE 50 -2.336 11.122 5.762
430 HG13 ILE 50 1HG1 ILE 50 -1.208 9.772 5.727
431 HG21 ILE 50 1HG2 ILE 50 -2.964 12.286 3.449
432 HG22 ILE 50 2HG2 ILE 50 -2.235 11.647 1.972
433 HG23 ILE 50 3HG2 ILE 50 -1.238 12.503 3.147
434 HD11 ILE 50 3HD1 ILE 50 -0.171 11.770 6.622
435 HD12 ILE 50 1HD1 ILE 50 -0.535 12.657 5.142
436 HD13 ILE 50 2HD1 ILE 50 0.598 11.303 5.109
437 H ALA 51 H ALA 51 -1.763 8.114 1.736
438 HA ALA 51 HA ALA 51 -3.091 9.216 -0.564
439 HB1 ALA 51 1HB ALA 51 -1.458 6.671 -0.441
440 HB2 ALA 51 2HB ALA 51 -0.818 8.285 -0.747
441 HB3 ALA 51 3HB ALA 51 -1.926 7.548 -1.906
442 H PHE 52 H PHE 52 -3.706 6.402 1.455
443 HA PHE 52 HA PHE 52 -5.746 5.129 0.037
444 HD1 PHE 52 2HD PHE 52 -7.290 2.988 1.236
445 HD2 PHE 52 1HD PHE 52 -7.145 5.985 4.282
446 HE1 PHE 52 2HE PHE 52 -9.509 2.315 2.020
447 HE2 PHE 52 1HE PHE 52 -9.384 5.301 5.055
448 HZ PHE 52 HZ PHE 52 -10.567 3.463 3.917
449 HB2 PHE 52 2HB PHE 52 -5.086 4.072 2.050
450 HB3 PHE 52 1HB PHE 52 -5.205 5.551 2.987
451 H GLN 53 H GLN 53 -5.991 7.929 2.263
452 HA GLN 53 HA GLN 53 -8.737 8.534 1.926
453 HB2 GLN 53 2HB GLN 53 -6.365 10.273 2.716
454 HB3 GLN 53 1HB GLN 53 -8.032 10.849 2.772
455 HG2 GLN 53 2HG GLN 53 -8.610 9.308 4.499
456 HG3 GLN 53 1HG GLN 53 -7.107 8.401 4.298
457 HE21 GLN 53 1HE2 GLN 53 -5.217 9.209 5.204
458 HE22 GLN 53 2HE2 GLN 53 -5.193 10.518 6.319
459 H ASN 54 H ASN 54 -5.864 9.681 0.174
460 HA ASN 54 HA ASN 54 -7.131 11.498 -1.595
461 HB2 ASN 54 2HB ASN 54 -4.508 9.966 -1.820
462 HB3 ASN 54 1HB ASN 54 -5.065 11.039 -3.102
463 HD21 ASN 54 1HD2 ASN 54 -3.693 10.856 0.085
464 HD22 ASN 54 2HD2 ASN 54 -3.381 12.537 0.276
465 H ARG 55 H ARG 55 -6.770 8.007 -1.630
466 HA ARG 55 HA ARG 55 -7.570 7.658 -4.369
467 HE ARG 55 HE ARG 55 -8.099 3.862 -6.593
468 HB2 ARG 55 2HB ARG 55 -6.075 6.064 -2.934
469 HB3 ARG 55 1HB ARG 55 -7.587 5.426 -2.301
470 HG2 ARG 55 2HG ARG 55 -6.980 5.535 -5.279
471 HG3 ARG 55 1HG ARG 55 -6.477 4.180 -4.275
472 HD2 ARG 55 2HD ARG 55 -8.644 3.389 -4.020
473 HD3 ARG 55 1HD ARG 55 -9.374 4.977 -4.229
474 HH11 ARG 55 1HH1 ARG 55 -11.145 4.340 -4.873
475 HH12 ARG 55 2HH1 ARG 55 -12.101 4.056 -6.289
476 HH21 ARG 55 1HH2 ARG 55 -9.374 3.558 -8.417
477 HH22 ARG 55 2HH2 ARG 55 -11.103 3.617 -8.296
478 H GLU 56 H GLU 56 -9.166 7.690 -1.229
479 HA GLU 56 HA GLU 56 -11.647 6.548 -2.009
480 HB2 GLU 56 2HB GLU 56 -11.139 8.530 0.250
481 HB3 GLU 56 1HB GLU 56 -12.564 7.510 0.075
482 HG2 GLU 56 2HG GLU 56 -9.735 6.634 0.690
483 HG3 GLU 56 1HG GLU 56 -11.130 6.565 1.758
484 H ARG 57 H ARG 57 -10.308 9.730 -2.501
485 HA ARG 57 HA ARG 57 -12.932 10.811 -3.358
486 HE ARG 57 HE ARG 57 -7.661 13.432 -1.350
487 HB2 ARG 57 2HB ARG 57 -11.918 13.053 -3.198
488 HB3 ARG 57 1HB ARG 57 -11.828 12.188 -1.669
489 HG2 ARG 57 2HG ARG 57 -9.463 11.743 -1.988
490 HG3 ARG 57 1HG ARG 57 -9.506 12.425 -3.617
491 HD2 ARG 57 2HD ARG 57 -10.005 14.644 -2.713
492 HD3 ARG 57 1HD ARG 57 -10.085 13.995 -1.074
493 HH11 ARG 57 1HH1 ARG 57 -8.983 15.984 -3.387
494 HH12 ARG 57 2HH1 ARG 57 -7.510 16.902 -3.389
495 HH21 ARG 57 1HH2 ARG 57 -5.759 14.682 -1.345
496 HH22 ARG 57 2HH2 ARG 57 -5.702 16.168 -2.234
497 H GLN 58 H GLN 58 -10.815 9.027 -4.858
498 HA GLN 58 HA GLN 58 -11.123 10.503 -7.408
499 HB2 GLN 58 2HB GLN 58 -8.924 9.960 -8.189
500 HB3 GLN 58 1HB GLN 58 -8.721 10.677 -6.593
501 HG2 GLN 58 2HG GLN 58 -8.592 8.279 -5.703
502 HG3 GLN 58 1HG GLN 58 -8.452 7.765 -7.384
503 HE21 GLN 58 1HE2 GLN 58 -6.377 6.926 -7.031
504 HE22 GLN 58 2HE2 GLN 58 -4.991 7.931 -6.794
505 H GLU 59 H GLU 59 -10.767 8.972 -9.293
506 HA GLU 59 HA GLU 59 -12.361 6.544 -8.781
507 HB2 GLU 59 2HB GLU 59 -12.036 8.168 -11.337
508 HB3 GLU 59 1HB GLU 59 -13.087 6.765 -11.145
509 HG2 GLU 59 2HG GLU 59 -14.405 7.994 -9.451
510 HG3 GLU 59 1HG GLU 59 -13.359 9.399 -9.655
511 H GLN 60 H GLN 60 -9.275 7.645 -10.015
512 HA GLN 60 HA GLN 60 -8.587 4.924 -10.990
513 HB2 GLN 60 2HB GLN 60 -7.289 7.630 -11.535
514 HB3 GLN 60 1HB GLN 60 -6.480 6.120 -11.911
515 HG2 GLN 60 2HG GLN 60 -7.413 6.887 -13.942
516 HG3 GLN 60 1HG GLN 60 -8.438 5.557 -13.425
517 HE21 GLN 60 1HE2 GLN 60 -10.580 5.991 -12.829
518 HE22 GLN 60 2HE2 GLN 60 -11.346 7.491 -13.197
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 20.213 -7.890 0.235
2 H2 GLY 1 2HT GLY 1 19.601 -6.416 -0.325
3 H3 GLY 1 3HT GLY 1 20.142 -6.554 1.269
4 HA2 GLY 1 1HA GLY 1 22.383 -6.940 0.511
5 HA3 GLY 1 2HA GLY 1 21.818 -6.769 -1.146
6 H SER 2 H SER 2 22.977 -4.929 -1.681
7 HA SER 2 HA SER 2 22.773 -2.534 0.041
8 HG SER 2 HG SER 2 24.236 -0.805 -1.703
9 HB2 SER 2 2HB SER 2 25.044 -3.335 -0.675
10 HB3 SER 2 1HB SER 2 24.593 -3.042 -2.354
11 H GLU 3 H GLU 3 21.875 -0.640 -0.697
12 HA GLU 3 HA GLU 3 20.820 0.938 -1.880
13 HB2 GLU 3 2HB GLU 3 22.369 0.548 -3.767
14 HB3 GLU 3 1HB GLU 3 21.330 -0.738 -4.372
15 HG2 GLU 3 2HG GLU 3 19.496 0.957 -4.702
16 HG3 GLU 3 1HG GLU 3 20.628 2.218 -4.208
17 H HIS 4 H HIS 4 19.782 -2.336 -2.836
18 HA HIS 4 HA HIS 4 17.130 -1.601 -3.621
19 HD1 HIS 4 1HD HIS 4 16.737 -3.597 -6.262
20 HD2 HIS 4 2HD HIS 4 20.582 -3.698 -4.692
21 HE1 HIS 4 1HE HIS 4 18.278 -3.652 -8.242
22 HE2 HIS 4 2HE HIS 4 20.578 -3.907 -7.270
23 HB2 HIS 4 2HB HIS 4 18.314 -4.346 -3.014
24 HB3 HIS 4 1HB HIS 4 16.754 -4.069 -3.778
25 H VAL 5 H VAL 5 16.485 -0.415 -1.795
26 HA VAL 5 HA VAL 5 16.101 -1.691 0.787
27 HB VAL 5 HB VAL 5 15.235 0.542 1.522
28 HG11 VAL 5 1HG1 VAL 5 17.915 0.652 0.070
29 HG12 VAL 5 2HG1 VAL 5 17.634 0.060 1.709
30 HG13 VAL 5 3HG1 VAL 5 17.392 1.766 1.339
31 HG21 VAL 5 3HG2 VAL 5 14.193 1.320 -0.575
32 HG22 VAL 5 1HG2 VAL 5 15.775 1.439 -1.350
33 HG23 VAL 5 2HG2 VAL 5 15.365 2.510 -0.006
34 H PHE 6 H PHE 6 14.193 -2.320 1.620
35 HA PHE 6 HA PHE 6 11.734 -2.112 -0.011
36 HD1 PHE 6 1HD PHE 6 14.463 -4.961 0.838
37 HD2 PHE 6 2HD PHE 6 10.571 -4.769 -0.935
38 HE1 PHE 6 1HE PHE 6 15.231 -6.372 -1.023
39 HE2 PHE 6 2HE PHE 6 11.351 -6.186 -2.785
40 HZ PHE 6 HZ PHE 6 13.680 -6.984 -2.829
41 HB2 PHE 6 2HB PHE 6 12.502 -4.143 2.130
42 HB3 PHE 6 1HB PHE 6 10.915 -4.051 1.368
43 H ALA 7 H ALA 7 11.140 -0.132 0.640
44 HA ALA 7 HA ALA 7 9.906 0.106 3.312
45 HB1 ALA 7 1HB ALA 7 11.441 2.321 1.867
46 HB2 ALA 7 2HB ALA 7 11.971 1.480 3.326
47 HB3 ALA 7 3HB ALA 7 10.535 2.501 3.376
48 H VAL 8 H VAL 8 7.781 0.652 3.111
49 HA VAL 8 HA VAL 8 6.598 0.850 0.522
50 HB VAL 8 HB VAL 8 5.283 1.245 3.250
51 HG11 VAL 8 1HG1 VAL 8 3.908 2.271 1.467
52 HG12 VAL 8 2HG1 VAL 8 3.129 0.809 2.071
53 HG13 VAL 8 3HG1 VAL 8 3.981 0.777 0.526
54 HG21 VAL 8 3HG2 VAL 8 4.498 -1.086 3.001
55 HG22 VAL 8 1HG2 VAL 8 6.263 -1.006 3.017
56 HG23 VAL 8 2HG2 VAL 8 5.401 -1.240 1.492
57 H GLU 9 H GLU 9 5.694 2.554 -0.482
58 HA GLU 9 HA GLU 9 6.502 5.247 0.258
59 HB2 GLU 9 2HB GLU 9 6.976 4.468 -2.046
60 HB3 GLU 9 1HB GLU 9 5.277 4.118 -2.305
61 HG2 GLU 9 2HG GLU 9 5.811 6.161 -3.435
62 HG3 GLU 9 1HG GLU 9 4.771 6.550 -2.069
63 H SER 10 H SER 10 3.621 3.462 -0.825
64 HA SER 10 HA SER 10 1.757 4.890 0.778
65 HG SER 10 HG SER 10 1.931 4.852 -2.808
66 HB2 SER 10 2HB SER 10 0.660 6.075 -1.214
67 HB3 SER 10 1HB SER 10 2.211 6.743 -0.708
68 H ILE 11 H ILE 11 -0.523 4.543 -0.185
69 HA ILE 11 HA ILE 11 -0.803 1.743 -1.043
70 HB ILE 11 HB ILE 11 -2.768 3.714 0.189
71 HG12 ILE 11 2HG1 ILE 11 -1.526 1.185 1.382
72 HG13 ILE 11 1HG1 ILE 11 -0.932 2.817 1.688
73 HG21 ILE 11 1HG2 ILE 11 -3.254 0.800 -0.548
74 HG22 ILE 11 2HG2 ILE 11 -3.995 2.207 -1.315
75 HG23 ILE 11 3HG2 ILE 11 -4.366 1.824 0.367
76 HD11 ILE 11 3HD1 ILE 11 -3.674 1.797 2.409
77 HD12 ILE 11 1HD1 ILE 11 -3.017 3.396 2.769
78 HD13 ILE 11 2HD1 ILE 11 -2.302 1.962 3.503
79 H GLU 12 H GLU 12 -1.308 1.322 -3.069
80 HA GLU 12 HA GLU 12 -1.822 3.430 -5.000
81 HB2 GLU 12 2HB GLU 12 -1.279 0.460 -5.474
82 HB3 GLU 12 1HB GLU 12 -1.222 1.751 -6.677
83 HG2 GLU 12 2HG GLU 12 0.675 1.332 -4.345
84 HG3 GLU 12 1HG GLU 12 1.025 1.109 -6.060
85 H LYS 13 H LYS 13 -3.372 0.516 -3.699
86 HA LYS 13 HA LYS 13 -5.888 1.172 -5.076
87 HB2 LYS 13 2HB LYS 13 -4.581 -1.593 -5.160
88 HB3 LYS 13 1HB LYS 13 -6.229 -1.246 -5.682
89 HG2 LYS 13 2HG LYS 13 -5.329 0.255 -7.454
90 HG3 LYS 13 1HG LYS 13 -3.687 -0.144 -6.933
91 HD2 LYS 13 2HD LYS 13 -4.118 -2.538 -7.506
92 HD3 LYS 13 1HD LYS 13 -5.731 -2.093 -8.082
93 HE2 LYS 13 2HE LYS 13 -4.695 -0.617 -9.789
94 HE3 LYS 13 1HE LYS 13 -3.090 -1.095 -9.225
95 HZ1 LYS 13 3HZ LYS 13 -3.593 -3.360 -9.852
96 HZ2 LYS 13 1HZ LYS 13 -3.765 -2.323 -11.173
97 HZ3 LYS 13 2HZ LYS 13 -5.135 -2.908 -10.372
98 H LYS 14 H LYS 14 -7.726 0.221 -4.164
99 HA LYS 14 HA LYS 14 -7.588 -0.709 -1.354
100 HB2 LYS 14 2HB LYS 14 -8.134 1.626 -1.199
101 HB3 LYS 14 1HB LYS 14 -9.168 1.574 -2.614
102 HG2 LYS 14 2HG LYS 14 -10.505 1.890 -0.610
103 HG3 LYS 14 1HG LYS 14 -10.881 0.331 -1.348
104 HD2 LYS 14 2HD LYS 14 -9.548 -0.834 0.354
105 HD3 LYS 14 1HD LYS 14 -9.025 0.708 1.029
106 HE2 LYS 14 2HE LYS 14 -11.883 -0.316 1.015
107 HE3 LYS 14 1HE LYS 14 -10.790 -0.321 2.400
108 HZ1 LYS 14 3HZ LYS 14 -11.700 2.116 0.969
109 HZ2 LYS 14 1HZ LYS 14 -10.736 2.071 2.357
110 HZ3 LYS 14 2HZ LYS 14 -12.339 1.550 2.426
111 H ARG 15 H ARG 15 -8.898 -2.471 -0.978
112 HA ARG 15 HA ARG 15 -11.573 -2.517 -1.993
113 HE ARG 15 HE ARG 15 -6.777 -6.329 -2.539
114 HB2 ARG 15 2HB ARG 15 -11.611 -4.696 -3.062
115 HB3 ARG 15 1HB ARG 15 -10.453 -3.677 -3.903
116 HG2 ARG 15 2HG ARG 15 -9.514 -5.633 -1.790
117 HG3 ARG 15 1HG ARG 15 -9.875 -6.192 -3.425
118 HD2 ARG 15 2HD ARG 15 -8.208 -4.442 -4.248
119 HD3 ARG 15 1HD ARG 15 -7.742 -4.213 -2.556
120 HH11 ARG 15 1HH1 ARG 15 -8.174 -5.717 -5.715
121 HH12 ARG 15 2HH1 ARG 15 -7.443 -7.121 -6.419
122 HH21 ARG 15 1HH2 ARG 15 -5.832 -8.144 -3.481
123 HH22 ARG 15 2HH2 ARG 15 -6.125 -8.497 -5.155
124 H ILE 16 H ILE 16 -12.922 -4.023 -0.923
125 HA ILE 16 HA ILE 16 -11.770 -5.546 1.336
126 HB ILE 16 HB ILE 16 -14.316 -3.859 1.353
127 HG12 ILE 16 2HG1 ILE 16 -11.850 -3.930 3.114
128 HG13 ILE 16 1HG1 ILE 16 -12.238 -2.674 1.941
129 HG21 ILE 16 1HG2 ILE 16 -13.516 -5.960 3.419
130 HG22 ILE 16 2HG2 ILE 16 -14.906 -6.044 2.334
131 HG23 ILE 16 3HG2 ILE 16 -14.850 -4.813 3.595
132 HD11 ILE 16 3HD1 ILE 16 -14.176 -2.033 3.326
133 HD12 ILE 16 1HD1 ILE 16 -12.637 -1.891 4.173
134 HD13 ILE 16 2HD1 ILE 16 -13.704 -3.252 4.516
135 H ARG 17 H ARG 17 -12.235 -7.598 1.280
136 HA ARG 17 HA ARG 17 -14.691 -8.572 0.024
137 HE ARG 17 HE ARG 17 -12.175 -9.900 -3.523
138 HB2 ARG 17 2HB ARG 17 -12.889 -8.879 -1.656
139 HB3 ARG 17 1HB ARG 17 -11.912 -9.741 -0.472
140 HG2 ARG 17 2HG ARG 17 -13.612 -11.548 -0.399
141 HG3 ARG 17 1HG ARG 17 -14.581 -10.681 -1.595
142 HD2 ARG 17 2HD ARG 17 -11.776 -11.773 -2.034
143 HD3 ARG 17 1HD ARG 17 -13.272 -12.510 -2.619
144 HH11 ARG 17 1HH1 ARG 17 -14.163 -12.727 -4.189
145 HH12 ARG 17 2HH1 ARG 17 -14.406 -12.304 -5.852
146 HH21 ARG 17 1HH2 ARG 17 -12.503 -9.394 -5.723
147 HH22 ARG 17 2HH2 ARG 17 -13.473 -10.438 -6.711
148 H LYS 18 H LYS 18 -15.750 -9.802 1.373
149 HA LYS 18 HA LYS 18 -16.397 -11.217 2.997
150 HB2 LYS 18 2HB LYS 18 -13.530 -12.250 2.879
151 HB3 LYS 18 1HB LYS 18 -14.877 -13.078 3.661
152 HG2 LYS 18 2HG LYS 18 -16.001 -13.350 1.484
153 HG3 LYS 18 1HG LYS 18 -14.696 -12.456 0.692
154 HD2 LYS 18 2HD LYS 18 -13.087 -14.248 1.408
155 HD3 LYS 18 1HD LYS 18 -14.444 -15.148 2.098
156 HE2 LYS 18 2HE LYS 18 -15.485 -15.235 -0.181
157 HE3 LYS 18 1HE LYS 18 -14.047 -14.444 -0.837
158 HZ1 LYS 18 3HZ LYS 18 -13.956 -16.836 -1.108
159 HZ2 LYS 18 1HZ LYS 18 -14.109 -17.065 0.559
160 HZ3 LYS 18 2HZ LYS 18 -12.728 -16.319 -0.070
161 H GLY 19 H GLY 19 -15.248 -8.568 3.648
162 HA2 GLY 19 2HA GLY 19 -15.130 -7.332 5.603
163 HA3 GLY 19 1HA GLY 19 -15.137 -8.816 6.534
164 H ARG 20 H ARG 20 -12.782 -8.818 4.097
165 HA ARG 20 HA ARG 20 -10.605 -8.103 5.975
166 HE ARG 20 HE ARG 20 -10.885 -11.995 8.115
167 HB2 ARG 20 2HB ARG 20 -10.575 -9.962 3.554
168 HB3 ARG 20 1HB ARG 20 -9.145 -9.502 4.476
169 HG2 ARG 20 2HG ARG 20 -11.519 -11.009 5.636
170 HG3 ARG 20 1HG ARG 20 -10.049 -11.771 5.021
171 HD2 ARG 20 2HD ARG 20 -8.720 -10.531 6.724
172 HD3 ARG 20 1HD ARG 20 -10.212 -9.831 7.357
173 HH11 ARG 20 1HH1 ARG 20 -7.542 -11.955 6.967
174 HH12 ARG 20 2HH1 ARG 20 -7.116 -13.395 7.834
175 HH21 ARG 20 1HH2 ARG 20 -10.291 -13.883 9.234
176 HH22 ARG 20 2HH2 ARG 20 -8.663 -14.477 9.120
177 H VAL 21 H VAL 21 -9.759 -6.171 5.577
178 HA VAL 21 HA VAL 21 -9.875 -4.973 2.897
179 HB VAL 21 HB VAL 21 -10.626 -3.546 4.764
180 HG11 VAL 21 1HG1 VAL 21 -9.259 -4.418 6.589
181 HG12 VAL 21 2HG1 VAL 21 -9.075 -2.667 6.469
182 HG13 VAL 21 3HG1 VAL 21 -7.805 -3.733 5.859
183 HG21 VAL 21 3HG2 VAL 21 -8.069 -2.531 3.455
184 HG22 VAL 21 1HG2 VAL 21 -9.298 -1.512 4.213
185 HG23 VAL 21 2HG2 VAL 21 -9.695 -2.453 2.774
186 H GLU 22 H GLU 22 -8.113 -4.640 1.659
187 HA GLU 22 HA GLU 22 -5.407 -5.121 2.701
188 HB2 GLU 22 2HB GLU 22 -4.887 -6.601 0.726
189 HB3 GLU 22 1HB GLU 22 -6.041 -7.314 1.853
190 HG2 GLU 22 2HG GLU 22 -7.894 -6.625 0.358
191 HG3 GLU 22 1HG GLU 22 -6.716 -5.977 -0.780
192 H TYR 23 H TYR 23 -3.796 -4.179 1.446
193 HA TYR 23 HA TYR 23 -4.654 -1.965 -0.321
194 HD1 TYR 23 1HD TYR 23 -5.940 -0.617 0.643
195 HD2 TYR 23 2HD TYR 23 -3.442 -0.971 4.097
196 HE1 TYR 23 1HE TYR 23 -7.719 0.290 2.046
197 HE2 TYR 23 2HE TYR 23 -5.248 -0.064 5.497
198 HH TYR 23 HH TYR 23 -7.247 1.214 5.337
199 HB2 TYR 23 2HB TYR 23 -2.693 -1.868 2.022
200 HB3 TYR 23 1HB TYR 23 -2.965 -0.545 0.893
201 H LEU 24 H LEU 24 -3.276 -1.513 -2.002
202 HA LEU 24 HA LEU 24 -1.065 -3.364 -2.499
203 HG LEU 24 HG LEU 24 0.205 -2.040 -4.939
204 HB2 LEU 24 2HB LEU 24 -2.724 -2.614 -4.305
205 HB3 LEU 24 1HB LEU 24 -1.959 -1.032 -4.254
206 HD11 LEU 24 1HD1 LEU 24 0.302 -4.405 -5.624
207 HD12 LEU 24 2HD1 LEU 24 -1.332 -4.653 -5.019
208 HD13 LEU 24 3HD1 LEU 24 -0.029 -4.228 -3.905
209 HD21 LEU 24 3HD2 LEU 24 -2.067 -2.836 -6.789
210 HD22 LEU 24 1HD2 LEU 24 -0.373 -2.628 -7.247
211 HD23 LEU 24 2HD2 LEU 24 -1.314 -1.239 -6.705
212 H VAL 25 H VAL 25 0.916 -2.898 -1.710
213 HA VAL 25 HA VAL 25 1.628 -0.120 -1.065
214 HB VAL 25 HB VAL 25 3.572 -1.060 0.121
215 HG11 VAL 25 1HG1 VAL 25 2.331 -2.225 1.941
216 HG12 VAL 25 2HG1 VAL 25 0.947 -2.442 0.866
217 HG13 VAL 25 3HG1 VAL 25 1.446 -0.818 1.347
218 HG21 VAL 25 3HG2 VAL 25 3.900 -3.489 0.399
219 HG22 VAL 25 1HG2 VAL 25 4.048 -3.018 -1.294
220 HG23 VAL 25 2HG2 VAL 25 2.579 -3.809 -0.725
221 H LYS 26 H LYS 26 2.866 1.086 -2.308
222 HA LYS 26 HA LYS 26 4.411 0.013 -4.548
223 HB2 LYS 26 2HB LYS 26 3.076 2.216 -4.572
224 HB3 LYS 26 1HB LYS 26 4.316 2.894 -3.531
225 HG2 LYS 26 2HG LYS 26 4.927 1.732 -6.276
226 HG3 LYS 26 1HG LYS 26 4.443 3.413 -6.044
227 HD2 LYS 26 2HD LYS 26 6.434 3.790 -4.609
228 HD3 LYS 26 1HD LYS 26 6.915 2.104 -4.822
229 HE2 LYS 26 2HE LYS 26 8.224 3.542 -6.295
230 HE3 LYS 26 1HE LYS 26 7.174 2.508 -7.264
231 HZ1 LYS 26 3HZ LYS 26 7.197 4.795 -8.050
232 HZ2 LYS 26 1HZ LYS 26 6.623 5.335 -6.557
233 HZ3 LYS 26 2HZ LYS 26 5.655 4.351 -7.525
234 H TRP 27 H TRP 27 6.397 -0.812 -4.103
235 HA TRP 27 HA TRP 27 7.861 -0.119 -1.704
236 HD1 TRP 27 HD TRP 27 6.519 -3.783 -3.687
237 HE1 TRP 27 1HE TRP 27 5.621 -5.146 -1.697
238 HE3 TRP 27 3HE TRP 27 9.150 -1.553 0.084
239 HZ2 TRP 27 2HZ TRP 27 5.955 -5.238 1.086
240 HZ3 TRP 27 3HZ TRP 27 8.788 -2.319 2.392
241 HH2 TRP 27 HH TRP 27 7.223 -4.128 2.878
242 HB2 TRP 27 2HB TRP 27 8.466 -2.034 -4.004
243 HB3 TRP 27 1HB TRP 27 9.531 -1.813 -2.619
244 H ARG 28 H ARG 28 9.398 1.370 -1.520
245 HA ARG 28 HA ARG 28 10.039 3.195 -3.627
246 HE ARG 28 HE ARG 28 11.741 5.975 -0.800
247 HB2 ARG 28 2HB ARG 28 11.138 2.939 -0.801
248 HB3 ARG 28 1HB ARG 28 11.541 4.261 -1.895
249 HG2 ARG 28 2HG ARG 28 9.101 4.869 -1.955
250 HG3 ARG 28 1HG ARG 28 8.803 3.630 -0.730
251 HD2 ARG 28 2HD ARG 28 8.978 5.862 0.282
252 HD3 ARG 28 1HD ARG 28 10.298 4.827 0.837
253 HH11 ARG 28 1HH1 ARG 28 8.777 7.630 0.127
254 HH12 ARG 28 2HH1 ARG 28 9.413 9.199 -0.231
255 HH21 ARG 28 1HH2 ARG 28 12.537 8.045 -1.302
256 HH22 ARG 28 2HH2 ARG 28 11.533 9.436 -1.054
257 H GLY 29 H GLY 29 11.988 3.498 -4.670
258 HA2 GLY 29 2HA GLY 29 14.062 2.971 -5.549
259 HA3 GLY 29 1HA GLY 29 14.243 1.683 -4.372
260 H TRP 30 H TRP 30 11.244 1.292 -5.676
261 HA TRP 30 HA TRP 30 12.099 -0.516 -7.865
262 HD1 TRP 30 HD TRP 30 11.416 -1.026 -3.601
263 HE1 TRP 30 1HE TRP 30 13.273 -2.577 -2.749
264 HE3 TRP 30 3HE TRP 30 12.344 -3.638 -7.906
265 HZ2 TRP 30 2HZ TRP 30 14.906 -4.627 -3.747
266 HZ3 TRP 30 3HZ TRP 30 14.081 -5.378 -7.867
267 HH2 TRP 30 HH TRP 30 15.339 -5.864 -5.827
268 HB2 TRP 30 2HB TRP 30 9.887 -1.053 -5.811
269 HB3 TRP 30 1HB TRP 30 10.372 -2.126 -7.123
270 H SER 31 H SER 31 10.245 -1.017 -9.342
271 HA SER 31 HA SER 31 8.391 1.215 -9.775
272 HG SER 31 HG SER 31 9.704 -1.741 -12.162
273 HB2 SER 31 2HB SER 31 7.827 -0.088 -11.880
274 HB3 SER 31 1HB SER 31 9.535 0.330 -11.758
275 HA PRO 32 HA PRO 32 5.049 -0.886 -7.672
276 HB2 PRO 32 2HB PRO 32 2.803 0.001 -8.922
277 HB3 PRO 32 1HB PRO 32 3.851 1.085 -7.991
278 HG2 PRO 32 2HG PRO 32 3.743 0.638 -10.972
279 HG3 PRO 32 1HG PRO 32 3.823 2.173 -10.086
280 HD2 PRO 32 2HD PRO 32 6.013 0.979 -11.227
281 HD3 PRO 32 1HD PRO 32 6.129 2.008 -9.777
282 H LYS 33 H LYS 33 6.118 -2.241 -10.402
283 HA LYS 33 HA LYS 33 4.051 -4.314 -10.599
284 HB2 LYS 33 2HB LYS 33 5.457 -5.355 -12.287
285 HB3 LYS 33 1HB LYS 33 5.307 -3.641 -12.655
286 HG2 LYS 33 2HG LYS 33 7.553 -3.216 -11.797
287 HG3 LYS 33 1HG LYS 33 7.717 -4.899 -11.287
288 HD2 LYS 33 2HD LYS 33 7.414 -3.943 -14.170
289 HD3 LYS 33 1HD LYS 33 8.930 -4.429 -13.405
290 HE2 LYS 33 2HE LYS 33 8.062 -6.720 -13.116
291 HE3 LYS 33 1HE LYS 33 6.523 -6.242 -13.836
292 HZ1 LYS 33 3HZ LYS 33 9.149 -6.171 -15.202
293 HZ2 LYS 33 1HZ LYS 33 7.662 -5.768 -15.891
294 HZ3 LYS 33 2HZ LYS 33 7.969 -7.359 -15.411
295 H TYR 34 H TYR 34 7.009 -3.621 -8.891
296 HA TYR 34 HA TYR 34 7.414 -6.333 -7.875
297 HD1 TYR 34 2HD TYR 34 10.081 -7.074 -8.107
298 HD2 TYR 34 1HD TYR 34 9.593 -3.028 -9.394
299 HE1 TYR 34 2HE TYR 34 11.506 -7.528 -10.048
300 HE2 TYR 34 1HE TYR 34 11.018 -3.486 -11.345
301 HH TYR 34 HH TYR 34 12.783 -5.083 -12.005
302 HB2 TYR 34 2HB TYR 34 8.803 -3.686 -7.214
303 HB3 TYR 34 1HB TYR 34 9.273 -5.247 -6.539
304 H ASN 35 H ASN 35 5.020 -4.512 -7.364
305 HA ASN 35 HA ASN 35 4.705 -3.752 -4.694
306 HB2 ASN 35 2HB ASN 35 2.290 -3.751 -5.277
307 HB3 ASN 35 1HB ASN 35 3.255 -3.036 -6.570
308 HD21 ASN 35 1HD2 ASN 35 1.386 -5.875 -5.640
309 HD22 ASN 35 2HD2 ASN 35 1.213 -6.518 -7.229
310 H THR 36 H THR 36 3.233 -4.710 -3.113
311 HA THR 36 HA THR 36 2.435 -7.522 -3.417
312 HB THR 36 HB THR 36 2.994 -7.935 -0.966
313 HG1 THR 36 1HG THR 36 3.432 -6.102 0.011
314 HG21 THR 36 3HG2 THR 36 4.474 -8.855 -2.720
315 HG22 THR 36 1HG2 THR 36 5.376 -8.409 -1.268
316 HG23 THR 36 2HG2 THR 36 5.419 -7.365 -2.690
317 H TRP 37 H TRP 37 0.408 -7.943 -2.479
318 HA TRP 37 HA TRP 37 -1.183 -5.732 -1.464
319 HD1 TRP 37 HD TRP 37 -1.499 -8.842 -4.482
320 HE1 TRP 37 1HE TRP 37 -2.564 -7.597 -6.469
321 HE3 TRP 37 3HE TRP 37 -3.889 -5.111 -1.919
322 HZ2 TRP 37 2HZ TRP 37 -4.180 -5.333 -6.893
323 HZ3 TRP 37 3HZ TRP 37 -5.162 -3.432 -3.192
324 HH2 TRP 37 HH TRP 37 -5.305 -3.548 -5.634
325 HB2 TRP 37 2HB TRP 37 -1.817 -8.697 -1.838
326 HB3 TRP 37 1HB TRP 37 -2.981 -7.512 -1.253
327 H GLU 38 H GLU 38 -0.686 -5.068 0.542
328 HA GLU 38 HA GLU 38 -0.272 -7.032 2.713
329 HB2 GLU 38 2HB GLU 38 0.508 -4.081 2.639
330 HB3 GLU 38 1HB GLU 38 0.845 -5.209 3.952
331 HG2 GLU 38 2HG GLU 38 2.009 -5.260 1.144
332 HG3 GLU 38 1HG GLU 38 2.852 -4.872 2.643
333 HA PRO 39 HA PRO 39 -4.338 -5.838 4.336
334 HB2 PRO 39 2HB PRO 39 -4.018 -6.862 6.887
335 HB3 PRO 39 1HB PRO 39 -4.354 -7.864 5.466
336 HG2 PRO 39 2HG PRO 39 -1.659 -7.226 6.730
337 HG3 PRO 39 1HG PRO 39 -2.335 -8.817 6.287
338 HD2 PRO 39 2HD PRO 39 -0.617 -7.609 4.656
339 HD3 PRO 39 1HD PRO 39 -2.045 -8.423 3.974
340 H GLU 40 H GLU 40 -5.260 -4.542 6.166
341 HA GLU 40 HA GLU 40 -3.834 -2.098 6.554
342 HB2 GLU 40 2HB GLU 40 -6.324 -2.255 6.350
343 HB3 GLU 40 1HB GLU 40 -6.384 -3.055 7.919
344 HG2 GLU 40 2HG GLU 40 -5.384 -0.989 8.946
345 HG3 GLU 40 1HG GLU 40 -5.478 -0.210 7.368
346 H GLU 41 H GLU 41 -4.293 -4.980 8.497
347 HA GLU 41 HA GLU 41 -3.335 -4.041 11.018
348 HB2 GLU 41 2HB GLU 41 -3.113 -6.429 11.595
349 HB3 GLU 41 1HB GLU 41 -4.642 -6.126 10.772
350 HG2 GLU 41 2HG GLU 41 -3.677 -7.000 8.664
351 HG3 GLU 41 1HG GLU 41 -2.153 -7.316 9.495
352 H ASN 42 H ASN 42 -1.742 -4.622 8.070
353 HA ASN 42 HA ASN 42 0.941 -4.855 9.238
354 HB2 ASN 42 2HB ASN 42 0.195 -6.156 7.158
355 HB3 ASN 42 1HB ASN 42 0.133 -4.626 6.297
356 HD21 ASN 42 1HD2 ASN 42 1.729 -6.944 5.757
357 HD22 ASN 42 2HD2 ASN 42 3.365 -6.439 5.778
358 H ILE 43 H ILE 43 -1.174 -2.638 7.455
359 HA ILE 43 HA ILE 43 0.791 -0.509 7.264
360 HB ILE 43 HB ILE 43 -2.173 -0.400 6.524
361 HG12 ILE 43 2HG1 ILE 43 -1.079 -2.209 5.240
362 HG13 ILE 43 1HG1 ILE 43 -1.473 -0.863 4.180
363 HG21 ILE 43 1HG2 ILE 43 0.160 1.377 5.686
364 HG22 ILE 43 2HG2 ILE 43 -1.151 1.821 6.782
365 HG23 ILE 43 3HG2 ILE 43 -1.494 1.505 5.083
366 HD11 ILE 43 3HD1 ILE 43 1.263 -1.563 5.258
367 HD12 ILE 43 1HD1 ILE 43 0.896 -0.164 4.240
368 HD13 ILE 43 2HD1 ILE 43 0.669 -1.796 3.614
369 H LEU 44 H LEU 44 1.212 -0.185 9.467
370 HA LEU 44 HA LEU 44 -0.847 1.105 11.143
371 HG LEU 44 HG LEU 44 0.681 -1.108 13.732
372 HB2 LEU 44 2HB LEU 44 1.802 -0.215 11.718
373 HB3 LEU 44 1HB LEU 44 1.286 1.055 12.803
374 HD11 LEU 44 1HD1 LEU 44 -0.816 0.772 14.186
375 HD12 LEU 44 2HD1 LEU 44 -1.693 -0.754 14.157
376 HD13 LEU 44 3HD1 LEU 44 -1.803 0.351 12.782
377 HD21 LEU 44 3HD2 LEU 44 -0.913 -2.633 12.646
378 HD22 LEU 44 1HD2 LEU 44 0.543 -2.422 11.673
379 HD23 LEU 44 2HD2 LEU 44 -0.947 -1.595 11.216
380 H ASP 45 H ASP 45 1.283 2.067 8.839
381 HA ASP 45 HA ASP 45 2.272 4.465 10.194
382 HB2 ASP 45 2HB ASP 45 3.848 3.137 8.867
383 HB3 ASP 45 1HB ASP 45 2.853 3.364 7.424
384 HA PRO 46 HA PRO 46 -1.359 6.690 8.563
385 HB2 PRO 46 2HB PRO 46 -0.621 9.197 9.497
386 HB3 PRO 46 1HB PRO 46 -1.392 7.957 10.502
387 HG2 PRO 46 2HG PRO 46 1.547 8.616 10.218
388 HG3 PRO 46 1HG PRO 46 0.609 8.347 11.703
389 HD2 PRO 46 2HD PRO 46 2.164 6.414 10.687
390 HD3 PRO 46 1HD PRO 46 0.576 6.010 11.400
391 H ARG 47 H ARG 47 2.013 7.450 7.878
392 HA ARG 47 HA ARG 47 1.767 9.472 5.928
393 HE ARG 47 HE ARG 47 5.603 10.249 5.489
394 HB2 ARG 47 2HB ARG 47 3.847 7.256 6.150
395 HB3 ARG 47 1HB ARG 47 4.020 8.699 5.152
396 HG2 ARG 47 2HG ARG 47 3.636 8.830 8.163
397 HG3 ARG 47 1HG ARG 47 5.226 8.691 7.405
398 HD2 ARG 47 2HD ARG 47 3.258 10.933 6.813
399 HD3 ARG 47 1HD ARG 47 4.556 11.042 8.008
400 HH11 ARG 47 1HH1 ARG 47 4.328 13.142 7.051
401 HH12 ARG 47 2HH1 ARG 47 5.310 14.203 6.099
402 HH21 ARG 47 1HH2 ARG 47 6.893 11.671 4.306
403 HH22 ARG 47 2HH2 ARG 47 6.747 13.379 4.567
404 H LEU 48 H LEU 48 1.623 5.956 5.638
405 HA LEU 48 HA LEU 48 1.441 5.803 2.774
406 HG LEU 48 HG LEU 48 2.680 4.169 5.526
407 HB2 LEU 48 2HB LEU 48 0.417 3.719 4.741
408 HB3 LEU 48 1HB LEU 48 0.989 3.457 3.094
409 HD11 LEU 48 1HD1 LEU 48 1.929 1.859 5.553
410 HD12 LEU 48 2HD1 LEU 48 3.665 1.948 5.271
411 HD13 LEU 48 3HD1 LEU 48 2.572 1.594 3.929
412 HD21 LEU 48 3HD2 LEU 48 3.628 5.272 3.588
413 HD22 LEU 48 1HD2 LEU 48 3.608 3.767 2.665
414 HD23 LEU 48 2HD2 LEU 48 4.653 3.931 4.079
415 H LEU 49 H LEU 49 -0.807 6.015 5.451
416 HA LEU 49 HA LEU 49 -3.221 5.429 4.033
417 HG LEU 49 HG LEU 49 -1.956 4.347 6.651
418 HB2 LEU 49 2HB LEU 49 -2.749 6.736 6.741
419 HB3 LEU 49 1HB LEU 49 -4.324 6.210 6.153
420 HD11 LEU 49 1HD1 LEU 49 -2.733 5.291 8.766
421 HD12 LEU 49 2HD1 LEU 49 -3.142 3.583 8.658
422 HD13 LEU 49 3HD1 LEU 49 -4.395 4.805 8.409
423 HD21 LEU 49 3HD2 LEU 49 -4.856 3.705 6.004
424 HD22 LEU 49 1HD2 LEU 49 -3.598 2.530 6.400
425 HD23 LEU 49 2HD2 LEU 49 -3.468 3.494 4.935
426 H ILE 50 H ILE 50 -1.372 8.392 4.574
427 HA ILE 50 HA ILE 50 -3.377 10.346 4.196
428 HB ILE 50 HB ILE 50 -0.431 10.464 3.389
429 HG12 ILE 50 2HG1 ILE 50 -1.821 11.589 5.863
430 HG13 ILE 50 1HG1 ILE 50 -0.838 10.136 5.830
431 HG21 ILE 50 1HG2 ILE 50 -1.676 12.162 2.115
432 HG22 ILE 50 2HG2 ILE 50 -0.657 12.933 3.328
433 HG23 ILE 50 3HG2 ILE 50 -2.393 12.784 3.604
434 HD11 ILE 50 3HD1 ILE 50 0.383 12.002 6.761
435 HD12 ILE 50 1HD1 ILE 50 0.144 12.931 5.281
436 HD13 ILE 50 2HD1 ILE 50 1.131 11.466 5.257
437 H ALA 51 H ALA 51 -1.199 8.804 1.851
438 HA ALA 51 HA ALA 51 -2.222 9.987 -0.503
439 HB1 ALA 51 1HB ALA 51 -0.792 7.326 -0.197
440 HB2 ALA 51 2HB ALA 51 -0.016 8.899 -0.390
441 HB3 ALA 51 3HB ALA 51 -0.990 8.234 -1.703
442 H PHE 52 H PHE 52 -3.016 6.991 1.175
443 HA PHE 52 HA PHE 52 -4.730 5.692 -0.585
444 HD1 PHE 52 2HD PHE 52 -6.307 3.566 0.018
445 HD2 PHE 52 1HD PHE 52 -6.115 5.335 3.911
446 HE1 PHE 52 2HE PHE 52 -8.403 2.467 0.642
447 HE2 PHE 52 1HE PHE 52 -8.222 4.218 4.517
448 HZ PHE 52 HZ PHE 52 -9.367 2.781 2.880
449 HB2 PHE 52 2HB PHE 52 -4.036 4.461 1.295
450 HB3 PHE 52 1HB PHE 52 -4.391 5.760 2.415
451 H GLN 53 H GLN 53 -5.579 8.037 1.966
452 HA GLN 53 HA GLN 53 -8.415 7.857 1.669
453 HB2 GLN 53 2HB GLN 53 -6.676 9.985 2.991
454 HB3 GLN 53 1HB GLN 53 -8.424 9.844 3.202
455 HG2 GLN 53 2HG GLN 53 -8.237 7.811 4.396
456 HG3 GLN 53 1HG GLN 53 -6.585 7.536 3.856
457 HE21 GLN 53 1HE2 GLN 53 -5.823 7.256 5.933
458 HE22 GLN 53 2HE2 GLN 53 -5.640 8.560 7.051
459 H ASN 54 H ASN 54 -5.968 9.954 0.298
460 HA ASN 54 HA ASN 54 -7.731 11.748 -1.095
461 HB2 ASN 54 2HB ASN 54 -4.779 11.103 -1.522
462 HB3 ASN 54 1HB ASN 54 -5.636 12.421 -2.321
463 HD21 ASN 54 1HD2 ASN 54 -3.325 12.500 -0.509
464 HD22 ASN 54 2HD2 ASN 54 -3.780 13.533 0.796
465 H ARG 55 H ARG 55 -6.109 8.698 -1.832
466 HA ARG 55 HA ARG 55 -6.331 8.826 -4.680
467 HE ARG 55 HE ARG 55 -5.565 5.409 -7.352
468 HB2 ARG 55 2HB ARG 55 -4.565 7.556 -3.355
469 HB3 ARG 55 1HB ARG 55 -5.790 6.358 -2.965
470 HG2 ARG 55 2HG ARG 55 -5.182 7.008 -5.856
471 HG3 ARG 55 1HG ARG 55 -4.090 5.963 -4.951
472 HD2 ARG 55 2HD ARG 55 -5.670 4.246 -4.767
473 HD3 ARG 55 1HD ARG 55 -7.042 5.329 -5.010
474 HH11 ARG 55 1HH1 ARG 55 -7.277 2.923 -5.579
475 HH12 ARG 55 2HH1 ARG 55 -7.764 2.079 -7.009
476 HH21 ARG 55 1HH2 ARG 55 -6.255 4.343 -9.208
477 HH22 ARG 55 2HH2 ARG 55 -7.170 2.874 -9.071
478 H GLU 56 H GLU 56 -8.379 7.559 -2.121
479 HA GLU 56 HA GLU 56 -10.056 5.875 -3.636
480 HB2 GLU 56 2HB GLU 56 -10.712 7.455 -1.118
481 HB3 GLU 56 1HB GLU 56 -11.757 6.220 -1.825
482 HG2 GLU 56 2HG GLU 56 -9.843 4.583 -1.545
483 HG3 GLU 56 1HG GLU 56 -9.002 5.830 -0.620
484 H ARG 57 H ARG 57 -10.006 9.378 -3.361
485 HA ARG 57 HA ARG 57 -12.441 9.608 -5.011
486 HE ARG 57 HE ARG 57 -14.900 13.857 -4.921
487 HB2 ARG 57 2HB ARG 57 -12.213 11.009 -2.886
488 HB3 ARG 57 1HB ARG 57 -10.911 11.894 -3.685
489 HG2 ARG 57 2HG ARG 57 -12.494 12.545 -5.492
490 HG3 ARG 57 1HG ARG 57 -13.785 11.685 -4.650
491 HD2 ARG 57 2HD ARG 57 -13.608 13.268 -2.766
492 HD3 ARG 57 1HD ARG 57 -12.273 14.101 -3.589
493 HH11 ARG 57 1HH1 ARG 57 -12.538 15.977 -3.418
494 HH12 ARG 57 2HH1 ARG 57 -13.172 17.401 -4.165
495 HH21 ARG 57 1HH2 ARG 57 -15.742 15.730 -5.845
496 HH22 ARG 57 2HH2 ARG 57 -15.008 17.265 -5.517
497 H GLN 58 H GLN 58 -9.108 9.391 -5.448
498 HA GLN 58 HA GLN 58 -8.992 11.081 -7.833
499 HB2 GLN 58 2HB GLN 58 -6.949 9.176 -6.629
500 HB3 GLN 58 1HB GLN 58 -6.676 10.108 -8.100
501 HG2 GLN 58 2HG GLN 58 -7.255 11.309 -5.376
502 HG3 GLN 58 1HG GLN 58 -5.650 11.107 -6.069
503 HE21 GLN 58 1HE2 GLN 58 -5.252 13.324 -5.939
504 HE22 GLN 58 2HE2 GLN 58 -5.990 14.478 -6.988
505 H GLU 59 H GLU 59 -8.988 10.368 -9.889
506 HA GLU 59 HA GLU 59 -9.824 9.323 -11.680
507 HB2 GLU 59 2HB GLU 59 -8.194 7.358 -10.531
508 HB3 GLU 59 1HB GLU 59 -9.724 6.514 -10.682
509 HG2 GLU 59 2HG GLU 59 -8.214 7.844 -12.969
510 HG3 GLU 59 1HG GLU 59 -8.186 6.126 -12.593
511 H GLN 60 H GLN 60 -11.491 10.249 -9.540
512 HA GLN 60 HA GLN 60 -13.780 8.570 -9.182
513 HB2 GLN 60 2HB GLN 60 -13.262 10.396 -7.607
514 HB3 GLN 60 1HB GLN 60 -13.464 11.595 -8.881
515 HG2 GLN 60 2HG GLN 60 -15.858 10.975 -9.058
516 HG3 GLN 60 1HG GLN 60 -15.640 9.809 -7.754
517 HE21 GLN 60 1HE2 GLN 60 -17.197 10.859 -6.469
518 HE22 GLN 60 2HE2 GLN 60 -16.895 12.374 -5.705
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 23.966 0.906 -2.144
2 H2 GLY 1 2HT GLY 1 23.981 2.396 -2.942
3 H3 GLY 1 3HT GLY 1 25.421 1.745 -2.344
4 HA2 GLY 1 1HA GLY 1 25.182 1.515 -4.765
5 HA3 GLY 1 2HA GLY 1 25.395 -0.010 -3.909
6 H SER 2 H SER 2 24.032 -1.568 -4.539
7 HA SER 2 HA SER 2 21.265 -0.916 -5.413
8 HG SER 2 HG SER 2 23.156 -4.028 -5.903
9 HB2 SER 2 2HB SER 2 21.447 -2.942 -6.911
10 HB3 SER 2 1HB SER 2 22.572 -1.655 -7.348
11 H GLU 3 H GLU 3 22.065 -1.378 -2.749
12 HA GLU 3 HA GLU 3 21.536 -4.053 -1.902
13 HB2 GLU 3 2HB GLU 3 21.428 -3.165 0.403
14 HB3 GLU 3 1HB GLU 3 22.839 -2.551 -0.439
15 HG2 GLU 3 2HG GLU 3 20.288 -0.936 -0.143
16 HG3 GLU 3 1HG GLU 3 21.558 -0.927 1.082
17 H HIS 4 H HIS 4 19.656 -4.879 -0.912
18 HA HIS 4 HA HIS 4 17.250 -4.069 -2.337
19 HD1 HIS 4 1HD HIS 4 16.310 -7.875 -3.256
20 HD2 HIS 4 2HD HIS 4 20.006 -6.011 -2.959
21 HE1 HIS 4 1HE HIS 4 17.658 -8.763 -5.183
22 HE2 HIS 4 2HE HIS 4 19.970 -7.838 -4.794
23 HB2 HIS 4 2HB HIS 4 17.870 -6.493 -0.589
24 HB3 HIS 4 1HB HIS 4 16.334 -6.245 -1.417
25 H VAL 5 H VAL 5 16.714 -2.125 -1.273
26 HA VAL 5 HA VAL 5 16.010 -2.159 1.563
27 HB VAL 5 HB VAL 5 15.518 0.263 1.303
28 HG11 VAL 5 1HG1 VAL 5 17.835 1.025 0.828
29 HG12 VAL 5 2HG1 VAL 5 18.207 -0.547 0.113
30 HG13 VAL 5 3HG1 VAL 5 17.818 -0.429 1.833
31 HG21 VAL 5 3HG2 VAL 5 14.656 0.316 -1.011
32 HG22 VAL 5 1HG2 VAL 5 16.252 -0.096 -1.643
33 HG23 VAL 5 2HG2 VAL 5 15.988 1.459 -0.844
34 H PHE 6 H PHE 6 14.021 -2.648 2.275
35 HA PHE 6 HA PHE 6 11.702 -2.493 0.425
36 HD1 PHE 6 2HD PHE 6 10.359 -4.984 -0.460
37 HD2 PHE 6 1HD PHE 6 14.081 -5.614 1.564
38 HE1 PHE 6 2HE PHE 6 11.070 -6.546 -2.227
39 HE2 PHE 6 1HE PHE 6 14.776 -7.171 -0.209
40 HZ PHE 6 HZ PHE 6 13.275 -7.637 -2.104
41 HB2 PHE 6 2HB PHE 6 12.231 -4.459 2.697
42 HB3 PHE 6 1HB PHE 6 10.669 -4.289 1.902
43 H ALA 7 H ALA 7 10.918 -0.552 0.873
44 HA ALA 7 HA ALA 7 9.613 -0.118 3.476
45 HB1 ALA 7 1HB ALA 7 10.336 2.258 3.498
46 HB2 ALA 7 2HB ALA 7 11.318 1.988 2.054
47 HB3 ALA 7 3HB ALA 7 11.726 1.175 3.567
48 H VAL 8 H VAL 8 7.567 0.656 3.213
49 HA VAL 8 HA VAL 8 6.445 0.796 0.561
50 HB VAL 8 HB VAL 8 5.165 1.306 3.280
51 HG11 VAL 8 1HG1 VAL 8 2.961 1.066 2.133
52 HG12 VAL 8 2HG1 VAL 8 3.783 0.972 0.574
53 HG13 VAL 8 3HG1 VAL 8 3.854 2.461 1.518
54 HG21 VAL 8 3HG2 VAL 8 4.207 -0.957 3.026
55 HG22 VAL 8 1HG2 VAL 8 5.973 -1.002 3.013
56 HG23 VAL 8 2HG2 VAL 8 5.073 -1.157 1.501
57 H GLU 9 H GLU 9 5.549 2.572 -0.455
58 HA GLU 9 HA GLU 9 6.667 5.199 0.255
59 HB2 GLU 9 2HB GLU 9 7.254 4.227 -1.987
60 HB3 GLU 9 1HB GLU 9 5.553 4.187 -2.410
61 HG2 GLU 9 2HG GLU 9 6.576 6.059 -3.511
62 HG3 GLU 9 1HG GLU 9 5.493 6.682 -2.265
63 H SER 10 H SER 10 3.720 3.763 -1.210
64 HA SER 10 HA SER 10 1.913 5.313 0.420
65 HG SER 10 HG SER 10 2.819 7.308 -0.294
66 HB2 SER 10 2HB SER 10 2.071 5.885 -2.577
67 HB3 SER 10 1HB SER 10 0.778 6.451 -1.514
68 H ILE 11 H ILE 11 -0.345 4.781 0.015
69 HA ILE 11 HA ILE 11 -0.877 2.091 -0.964
70 HB ILE 11 HB ILE 11 -2.680 4.236 0.265
71 HG12 ILE 11 2HG1 ILE 11 -1.615 1.598 1.393
72 HG13 ILE 11 1HG1 ILE 11 -1.052 3.208 1.838
73 HG21 ILE 11 1HG2 ILE 11 -4.479 2.523 0.386
74 HG22 ILE 11 2HG2 ILE 11 -3.475 1.405 -0.539
75 HG23 ILE 11 3HG2 ILE 11 -4.044 2.900 -1.285
76 HD11 ILE 11 3HD1 ILE 11 -2.494 2.283 3.541
77 HD12 ILE 11 1HD1 ILE 11 -3.796 2.071 2.371
78 HD13 ILE 11 2HD1 ILE 11 -3.254 3.695 2.806
79 H GLU 12 H GLU 12 -1.181 1.768 -3.076
80 HA GLU 12 HA GLU 12 -1.625 3.905 -4.975
81 HB2 GLU 12 2HB GLU 12 -1.356 0.897 -5.465
82 HB3 GLU 12 1HB GLU 12 -1.219 2.169 -6.679
83 HG2 GLU 12 2HG GLU 12 0.696 1.731 -4.358
84 HG3 GLU 12 1HG GLU 12 0.958 1.192 -6.015
85 H LYS 13 H LYS 13 -3.197 0.801 -4.166
86 HA LYS 13 HA LYS 13 -5.800 1.811 -5.136
87 HB2 LYS 13 2HB LYS 13 -4.617 -0.961 -5.657
88 HB3 LYS 13 1HB LYS 13 -6.265 -0.472 -6.065
89 HG2 LYS 13 2HG LYS 13 -5.192 1.332 -7.564
90 HG3 LYS 13 1HG LYS 13 -3.660 0.495 -7.305
91 HD2 LYS 13 2HD LYS 13 -6.159 -0.701 -8.573
92 HD3 LYS 13 1HD LYS 13 -4.729 -0.149 -9.445
93 HE2 LYS 13 2HE LYS 13 -3.386 -1.909 -8.373
94 HE3 LYS 13 1HE LYS 13 -4.789 -2.425 -7.438
95 HZ1 LYS 13 3HZ LYS 13 -4.559 -2.491 -10.384
96 HZ2 LYS 13 1HZ LYS 13 -5.904 -2.987 -9.493
97 HZ3 LYS 13 2HZ LYS 13 -4.439 -3.821 -9.347
98 H LYS 14 H LYS 14 -7.637 0.462 -4.310
99 HA LYS 14 HA LYS 14 -7.287 -0.459 -1.532
100 HB2 LYS 14 2HB LYS 14 -7.465 1.898 -1.176
101 HB3 LYS 14 1HB LYS 14 -8.679 2.097 -2.428
102 HG2 LYS 14 2HG LYS 14 -9.632 2.426 -0.198
103 HG3 LYS 14 1HG LYS 14 -10.375 1.043 -1.005
104 HD2 LYS 14 2HD LYS 14 -9.027 -0.505 0.343
105 HD3 LYS 14 1HD LYS 14 -8.175 0.853 1.086
106 HE2 LYS 14 2HE LYS 14 -9.907 -0.063 2.584
107 HE3 LYS 14 1HE LYS 14 -10.255 1.602 2.156
108 HZ1 LYS 14 3HZ LYS 14 -11.538 -0.813 1.018
109 HZ2 LYS 14 1HZ LYS 14 -11.844 0.767 0.510
110 HZ3 LYS 14 2HZ LYS 14 -12.241 0.298 2.085
111 H ARG 15 H ARG 15 -8.735 -2.026 -1.005
112 HA ARG 15 HA ARG 15 -11.491 -1.909 -1.905
113 HE ARG 15 HE ARG 15 -8.157 -3.738 -4.778
114 HB2 ARG 15 2HB ARG 15 -11.647 -4.159 -2.808
115 HB3 ARG 15 1HB ARG 15 -10.385 -3.321 -3.702
116 HG2 ARG 15 2HG ARG 15 -9.631 -5.035 -1.329
117 HG3 ARG 15 1HG ARG 15 -10.017 -5.812 -2.867
118 HD2 ARG 15 2HD ARG 15 -7.885 -3.670 -2.491
119 HD3 ARG 15 1HD ARG 15 -7.566 -5.414 -2.488
120 HH11 ARG 15 1HH1 ARG 15 -8.018 -7.069 -3.645
121 HH12 ARG 15 2HH1 ARG 15 -7.892 -7.724 -5.245
122 HH21 ARG 15 1HH2 ARG 15 -7.970 -4.623 -6.859
123 HH22 ARG 15 2HH2 ARG 15 -7.848 -6.336 -7.062
124 H ILE 16 H ILE 16 -12.811 -3.610 -0.768
125 HA ILE 16 HA ILE 16 -11.528 -4.914 1.566
126 HB ILE 16 HB ILE 16 -14.284 -3.587 1.492
127 HG12 ILE 16 2HG1 ILE 16 -11.972 -3.287 3.424
128 HG13 ILE 16 1HG1 ILE 16 -12.294 -2.166 2.100
129 HG21 ILE 16 1HG2 ILE 16 -13.240 -5.495 3.643
130 HG22 ILE 16 2HG2 ILE 16 -14.573 -5.812 2.530
131 HG23 ILE 16 3HG2 ILE 16 -14.729 -4.549 3.747
132 HD11 ILE 16 3HD1 ILE 16 -14.460 -1.611 3.163
133 HD12 ILE 16 1HD1 ILE 16 -13.064 -1.244 4.178
134 HD13 ILE 16 2HD1 ILE 16 -14.035 -2.677 4.509
135 H ARG 17 H ARG 17 -11.675 -7.032 1.420
136 HA ARG 17 HA ARG 17 -14.049 -8.298 0.323
137 HE ARG 17 HE ARG 17 -15.540 -10.656 -2.780
138 HB2 ARG 17 2HB ARG 17 -12.025 -8.013 -1.456
139 HB3 ARG 17 1HB ARG 17 -11.419 -9.446 -0.646
140 HG2 ARG 17 2HG ARG 17 -12.619 -10.246 -2.517
141 HG3 ARG 17 1HG ARG 17 -13.691 -10.533 -1.141
142 HD2 ARG 17 2HD ARG 17 -14.891 -8.403 -1.717
143 HD3 ARG 17 1HD ARG 17 -13.869 -8.253 -3.151
144 HH11 ARG 17 1HH1 ARG 17 -14.800 -7.802 -4.707
145 HH12 ARG 17 2HH1 ARG 17 -15.958 -8.201 -5.931
146 HH21 ARG 17 1HH2 ARG 17 -17.038 -11.136 -4.395
147 HH22 ARG 17 2HH2 ARG 17 -17.224 -10.072 -5.752
148 H LYS 18 H LYS 18 -14.391 -10.427 1.098
149 HA LYS 18 HA LYS 18 -14.386 -12.158 2.568
150 HB2 LYS 18 2HB LYS 18 -11.371 -11.706 2.516
151 HB3 LYS 18 1HB LYS 18 -12.143 -13.135 3.198
152 HG2 LYS 18 2HG LYS 18 -12.860 -13.901 1.038
153 HG3 LYS 18 1HG LYS 18 -12.521 -12.339 0.293
154 HD2 LYS 18 2HD LYS 18 -10.829 -14.045 -0.310
155 HD3 LYS 18 1HD LYS 18 -10.119 -12.674 0.548
156 HE2 LYS 18 2HE LYS 18 -10.189 -14.066 2.658
157 HE3 LYS 18 1HE LYS 18 -10.713 -15.437 1.675
158 HZ1 LYS 18 3HZ LYS 18 -8.171 -13.938 1.365
159 HZ2 LYS 18 1HZ LYS 18 -8.660 -15.241 0.415
160 HZ3 LYS 18 2HZ LYS 18 -8.345 -15.471 2.060
161 H GLY 19 H GLY 19 -14.682 -9.435 3.606
162 HA2 GLY 19 2HA GLY 19 -15.010 -8.357 5.608
163 HA3 GLY 19 1HA GLY 19 -14.650 -9.874 6.419
164 H ARG 20 H ARG 20 -12.421 -8.360 4.211
165 HA ARG 20 HA ARG 20 -10.545 -7.580 6.339
166 HE ARG 20 HE ARG 20 -7.554 -9.825 6.755
167 HB2 ARG 20 2HB ARG 20 -9.878 -9.472 4.017
168 HB3 ARG 20 1HB ARG 20 -8.695 -8.778 5.125
169 HG2 ARG 20 2HG ARG 20 -10.943 -10.660 5.958
170 HG3 ARG 20 1HG ARG 20 -9.278 -11.159 5.634
171 HD2 ARG 20 2HD ARG 20 -10.144 -9.194 7.799
172 HD3 ARG 20 1HD ARG 20 -9.703 -10.889 8.058
173 HH11 ARG 20 1HH1 ARG 20 -9.146 -8.991 9.774
174 HH12 ARG 20 2HH1 ARG 20 -7.686 -8.372 10.470
175 HH21 ARG 20 1HH2 ARG 20 -5.709 -9.060 7.701
176 HH22 ARG 20 2HH2 ARG 20 -5.761 -8.396 9.298
177 H VAL 21 H VAL 21 -8.989 -6.043 5.590
178 HA VAL 21 HA VAL 21 -9.549 -4.863 2.928
179 HB VAL 21 HB VAL 21 -10.585 -3.369 4.473
180 HG11 VAL 21 1HG1 VAL 21 -8.049 -3.336 6.119
181 HG12 VAL 21 2HG1 VAL 21 -9.582 -4.078 6.573
182 HG13 VAL 21 3HG1 VAL 21 -9.467 -2.324 6.408
183 HG21 VAL 21 3HG2 VAL 21 -9.338 -1.274 4.116
184 HG22 VAL 21 1HG2 VAL 21 -9.309 -2.288 2.671
185 HG23 VAL 21 2HG2 VAL 21 -7.887 -2.195 3.713
186 H GLU 22 H GLU 22 -7.883 -4.537 1.671
187 HA GLU 22 HA GLU 22 -5.118 -4.717 2.676
188 HB2 GLU 22 2HB GLU 22 -4.542 -6.195 0.709
189 HB3 GLU 22 1HB GLU 22 -5.589 -6.962 1.896
190 HG2 GLU 22 2HG GLU 22 -6.659 -5.702 -0.640
191 HG3 GLU 22 1HG GLU 22 -6.103 -7.374 -0.587
192 H TYR 23 H TYR 23 -3.550 -3.862 1.176
193 HA TYR 23 HA TYR 23 -4.563 -1.708 -0.577
194 HD1 TYR 23 2HD TYR 23 -5.830 0.018 0.841
195 HD2 TYR 23 1HD TYR 23 -2.989 -1.338 3.732
196 HE1 TYR 23 2HE TYR 23 -7.379 0.580 2.663
197 HE2 TYR 23 1HE TYR 23 -4.542 -0.780 5.541
198 HH TYR 23 HH TYR 23 -6.444 0.751 5.919
199 HB2 TYR 23 2HB TYR 23 -2.355 -1.332 1.496
200 HB3 TYR 23 1HB TYR 23 -3.096 -0.095 0.491
201 H LEU 24 H LEU 24 -3.235 -1.283 -2.335
202 HA LEU 24 HA LEU 24 -1.025 -3.110 -2.875
203 HG LEU 24 HG LEU 24 0.256 -1.937 -5.232
204 HB2 LEU 24 2HB LEU 24 -2.714 -2.253 -4.634
205 HB3 LEU 24 1HB LEU 24 -1.873 -0.711 -4.556
206 HD11 LEU 24 1HD1 LEU 24 -0.393 -4.203 -4.552
207 HD12 LEU 24 2HD1 LEU 24 0.059 -4.151 -6.253
208 HD13 LEU 24 3HD1 LEU 24 -1.648 -4.229 -5.799
209 HD21 LEU 24 3HD2 LEU 24 -0.297 -2.057 -7.600
210 HD22 LEU 24 1HD2 LEU 24 -1.075 -0.653 -6.870
211 HD23 LEU 24 2HD2 LEU 24 -2.017 -2.101 -7.224
212 H VAL 25 H VAL 25 0.820 -2.673 -1.787
213 HA VAL 25 HA VAL 25 1.553 0.048 -1.023
214 HB VAL 25 HB VAL 25 3.368 -1.020 0.290
215 HG11 VAL 25 1HG1 VAL 25 0.628 -2.304 0.734
216 HG12 VAL 25 2HG1 VAL 25 1.152 -0.727 1.336
217 HG13 VAL 25 3HG1 VAL 25 1.919 -2.196 1.938
218 HG21 VAL 25 3HG2 VAL 25 2.325 -3.684 -0.774
219 HG22 VAL 25 1HG2 VAL 25 3.545 -3.487 0.489
220 HG23 VAL 25 2HG2 VAL 25 3.885 -2.957 -1.157
221 H LYS 26 H LYS 26 3.002 1.262 -2.063
222 HA LYS 26 HA LYS 26 4.442 0.216 -4.367
223 HB2 LYS 26 2HB LYS 26 3.198 2.543 -4.118
224 HB3 LYS 26 1HB LYS 26 4.702 3.073 -3.380
225 HG2 LYS 26 2HG LYS 26 4.464 1.863 -6.160
226 HG3 LYS 26 1HG LYS 26 4.476 3.594 -5.826
227 HD2 LYS 26 2HD LYS 26 6.772 3.487 -5.023
228 HD3 LYS 26 1HD LYS 26 6.772 1.723 -5.106
229 HE2 LYS 26 2HE LYS 26 7.987 2.771 -7.007
230 HE3 LYS 26 1HE LYS 26 6.617 1.794 -7.543
231 HZ1 LYS 26 3HZ LYS 26 6.710 3.894 -8.717
232 HZ2 LYS 26 1HZ LYS 26 6.634 4.750 -7.262
233 HZ3 LYS 26 2HZ LYS 26 5.315 3.824 -7.766
234 H TRP 27 H TRP 27 6.268 -0.891 -3.889
235 HA TRP 27 HA TRP 27 7.887 -0.321 -1.570
236 HD1 TRP 27 HD TRP 27 6.242 -3.865 -3.619
237 HE1 TRP 27 1HE TRP 27 5.223 -5.187 -1.662
238 HE3 TRP 27 3HE TRP 27 8.934 -1.825 0.223
239 HZ2 TRP 27 2HZ TRP 27 5.501 -5.319 1.146
240 HZ3 TRP 27 3HZ TRP 27 8.470 -2.571 2.521
241 HH2 TRP 27 HH TRP 27 6.794 -4.288 2.972
242 HB2 TRP 27 2HB TRP 27 8.291 -2.254 -3.894
243 HB3 TRP 27 1HB TRP 27 9.365 -2.150 -2.502
244 H ARG 28 H ARG 28 9.754 0.806 -1.428
245 HA ARG 28 HA ARG 28 10.361 2.749 -3.471
246 HE ARG 28 HE ARG 28 8.800 5.842 -0.049
247 HB2 ARG 28 2HB ARG 28 11.489 2.239 -0.696
248 HB3 ARG 28 1HB ARG 28 12.046 3.560 -1.725
249 HG2 ARG 28 2HG ARG 28 9.778 4.527 -1.720
250 HG3 ARG 28 1HG ARG 28 9.199 3.192 -0.719
251 HD2 ARG 28 2HD ARG 28 10.552 3.901 1.142
252 HD3 ARG 28 1HD ARG 28 11.397 5.105 0.156
253 HH11 ARG 28 1HH1 ARG 28 10.858 5.267 2.737
254 HH12 ARG 28 2HH1 ARG 28 10.038 6.432 3.719
255 HH21 ARG 28 1HH2 ARG 28 7.783 7.368 1.197
256 HH22 ARG 28 2HH2 ARG 28 8.299 7.645 2.831
257 H GLY 29 H GLY 29 12.049 2.792 -4.820
258 HA2 GLY 29 2HA GLY 29 14.058 2.225 -5.833
259 HA3 GLY 29 1HA GLY 29 14.328 0.974 -4.631
260 H TRP 30 H TRP 30 11.659 -0.146 -5.011
261 HA TRP 30 HA TRP 30 12.145 -1.886 -7.275
262 HD1 TRP 30 HD TRP 30 11.175 -2.089 -2.838
263 HE1 TRP 30 1HE TRP 30 13.171 -3.400 -1.913
264 HE3 TRP 30 3HE TRP 30 12.741 -4.372 -7.145
265 HZ2 TRP 30 2HZ TRP 30 15.168 -5.129 -2.852
266 HZ3 TRP 30 3HZ TRP 30 14.720 -5.834 -7.042
267 HH2 TRP 30 HH TRP 30 15.908 -6.205 -4.936
268 HB2 TRP 30 2HB TRP 30 9.934 -1.958 -5.158
269 HB3 TRP 30 1HB TRP 30 10.338 -3.245 -6.297
270 H SER 31 H SER 31 10.848 -2.065 -9.031
271 HA SER 31 HA SER 31 9.400 0.217 -9.958
272 HG SER 31 HG SER 31 10.767 -3.121 -11.687
273 HB2 SER 31 2HB SER 31 9.045 -1.333 -11.987
274 HB3 SER 31 1HB SER 31 10.718 -1.008 -11.548
275 HA PRO 32 HA PRO 32 5.188 -0.496 -8.784
276 HB2 PRO 32 2HB PRO 32 3.676 -0.265 -11.103
277 HB3 PRO 32 1HB PRO 32 4.429 1.108 -10.281
278 HG2 PRO 32 2HG PRO 32 5.459 -0.503 -12.621
279 HG3 PRO 32 1HG PRO 32 5.364 1.263 -12.446
280 HD2 PRO 32 2HD PRO 32 7.672 0.005 -12.038
281 HD3 PRO 32 1HD PRO 32 7.196 1.336 -10.956
282 H LYS 33 H LYS 33 6.457 -2.749 -11.040
283 HA LYS 33 HA LYS 33 4.299 -4.619 -11.138
284 HB2 LYS 33 2HB LYS 33 5.967 -6.158 -12.086
285 HB3 LYS 33 1HB LYS 33 6.081 -4.568 -12.832
286 HG2 LYS 33 2HG LYS 33 8.017 -4.089 -11.229
287 HG3 LYS 33 1HG LYS 33 7.975 -5.800 -10.794
288 HD2 LYS 33 2HD LYS 33 8.485 -4.656 -13.570
289 HD3 LYS 33 1HD LYS 33 9.708 -5.323 -12.486
290 HE2 LYS 33 2HE LYS 33 8.602 -7.548 -12.639
291 HE3 LYS 33 1HE LYS 33 7.404 -6.859 -13.741
292 HZ1 LYS 33 3HZ LYS 33 10.320 -6.955 -14.234
293 HZ2 LYS 33 1HZ LYS 33 9.150 -6.366 -15.300
294 HZ3 LYS 33 2HZ LYS 33 9.180 -8.007 -14.899
295 H TYR 34 H TYR 34 6.978 -4.061 -8.914
296 HA TYR 34 HA TYR 34 6.765 -6.565 -7.478
297 HD1 TYR 34 2HD TYR 34 9.032 -7.697 -7.316
298 HD2 TYR 34 1HD TYR 34 9.995 -3.712 -8.528
299 HE1 TYR 34 2HE TYR 34 10.832 -8.563 -8.744
300 HE2 TYR 34 1HE TYR 34 11.795 -4.583 -9.956
301 HH TYR 34 HH TYR 34 12.119 -7.857 -10.731
302 HB2 TYR 34 2HB TYR 34 8.335 -4.016 -6.876
303 HB3 TYR 34 1HB TYR 34 8.436 -5.479 -5.903
304 H ASN 35 H ASN 35 4.924 -3.732 -7.439
305 HA ASN 35 HA ASN 35 4.355 -3.392 -4.696
306 HB2 ASN 35 2HB ASN 35 2.597 -2.770 -7.112
307 HB3 ASN 35 1HB ASN 35 2.275 -2.220 -5.467
308 HD21 ASN 35 1HD2 ASN 35 2.412 -0.351 -7.347
309 HD22 ASN 35 2HD2 ASN 35 3.874 0.559 -7.238
310 H THR 36 H THR 36 3.194 -4.583 -3.306
311 HA THR 36 HA THR 36 1.572 -6.869 -4.300
312 HB THR 36 HB THR 36 2.273 -8.013 -2.124
313 HG1 THR 36 1HG THR 36 3.103 -6.518 -0.809
314 HG21 THR 36 3HG2 THR 36 4.517 -8.676 -2.914
315 HG22 THR 36 1HG2 THR 36 4.535 -7.301 -4.022
316 HG23 THR 36 2HG2 THR 36 3.371 -8.607 -4.257
317 H TRP 37 H TRP 37 -0.241 -7.514 -2.961
318 HA TRP 37 HA TRP 37 -1.603 -5.349 -1.582
319 HD1 TRP 37 HD TRP 37 -2.385 -8.380 -4.687
320 HE1 TRP 37 1HE TRP 37 -3.458 -6.989 -6.565
321 HE3 TRP 37 3HE TRP 37 -4.190 -4.492 -1.904
322 HZ2 TRP 37 2HZ TRP 37 -4.831 -4.557 -6.844
323 HZ3 TRP 37 3HZ TRP 37 -5.357 -2.662 -3.050
324 HH2 TRP 37 HH TRP 37 -5.677 -2.700 -5.478
325 HB2 TRP 37 2HB TRP 37 -2.443 -8.248 -2.043
326 HB3 TRP 37 1HB TRP 37 -3.470 -6.999 -1.344
327 H GLU 38 H GLU 38 -0.906 -4.890 0.435
328 HA GLU 38 HA GLU 38 -0.383 -7.071 2.374
329 HB2 GLU 38 2HB GLU 38 0.372 -4.113 2.566
330 HB3 GLU 38 1HB GLU 38 0.812 -5.371 3.717
331 HG2 GLU 38 2HG GLU 38 1.807 -5.032 0.875
332 HG3 GLU 38 1HG GLU 38 2.726 -4.844 2.365
333 HA PRO 39 HA PRO 39 -4.337 -6.085 4.308
334 HB2 PRO 39 2HB PRO 39 -3.855 -7.039 6.870
335 HB3 PRO 39 1HB PRO 39 -4.219 -8.075 5.482
336 HG2 PRO 39 2HG PRO 39 -1.530 -7.348 6.648
337 HG3 PRO 39 1HG PRO 39 -2.139 -8.945 6.159
338 HD2 PRO 39 2HD PRO 39 -0.502 -7.562 4.540
339 HD3 PRO 39 1HD PRO 39 -1.856 -8.498 3.868
340 H GLU 40 H GLU 40 -5.269 -4.915 6.139
341 HA GLU 40 HA GLU 40 -4.490 -2.289 6.451
342 HB2 GLU 40 2HB GLU 40 -6.746 -3.154 6.971
343 HB3 GLU 40 1HB GLU 40 -6.109 -4.024 8.360
344 HG2 GLU 40 2HG GLU 40 -5.413 -1.627 9.210
345 HG3 GLU 40 1HG GLU 40 -6.582 -1.060 8.012
346 H GLU 41 H GLU 41 -3.901 -4.982 8.635
347 HA GLU 41 HA GLU 41 -2.676 -3.445 10.744
348 HB2 GLU 41 2HB GLU 41 -2.363 -5.745 11.784
349 HB3 GLU 41 1HB GLU 41 -4.020 -5.293 11.391
350 HG2 GLU 41 2HG GLU 41 -3.832 -6.672 9.285
351 HG3 GLU 41 1HG GLU 41 -2.244 -7.214 9.837
352 H ASN 42 H ASN 42 -1.489 -4.586 7.830
353 HA ASN 42 HA ASN 42 1.292 -4.935 8.675
354 HB2 ASN 42 2HB ASN 42 0.163 -6.262 6.805
355 HB3 ASN 42 1HB ASN 42 0.132 -4.783 5.857
356 HD21 ASN 42 1HD2 ASN 42 1.494 -7.443 5.597
357 HD22 ASN 42 2HD2 ASN 42 3.131 -7.040 5.214
358 H ILE 43 H ILE 43 -0.886 -2.488 7.575
359 HA ILE 43 HA ILE 43 1.161 -0.512 6.922
360 HB ILE 43 HB ILE 43 -1.886 -0.357 6.961
361 HG12 ILE 43 2HG1 ILE 43 -1.099 -1.794 5.160
362 HG13 ILE 43 1HG1 ILE 43 -1.652 -0.280 4.461
363 HG21 ILE 43 1HG2 ILE 43 -1.019 1.874 7.434
364 HG22 ILE 43 2HG2 ILE 43 -1.676 1.826 5.800
365 HG23 ILE 43 3HG2 ILE 43 0.071 1.787 6.045
366 HD11 ILE 43 3HD1 ILE 43 0.337 -1.031 3.357
367 HD12 ILE 43 1HD1 ILE 43 1.213 -1.118 4.885
368 HD13 ILE 43 2HD1 ILE 43 0.694 0.447 4.249
369 H LEU 44 H LEU 44 2.211 0.107 8.712
370 HA LEU 44 HA LEU 44 0.713 1.145 11.050
371 HG LEU 44 HG LEU 44 2.765 -1.409 12.904
372 HB2 LEU 44 2HB LEU 44 3.537 -0.003 10.897
373 HB3 LEU 44 1HB LEU 44 2.920 0.852 12.294
374 HD11 LEU 44 1HD1 LEU 44 0.422 -1.948 13.118
375 HD12 LEU 44 2HD1 LEU 44 0.007 -0.782 11.858
376 HD13 LEU 44 3HD1 LEU 44 0.700 -0.229 13.387
377 HD21 LEU 44 3HD2 LEU 44 3.270 -2.402 10.739
378 HD22 LEU 44 1HD2 LEU 44 1.618 -2.106 10.190
379 HD23 LEU 44 2HD2 LEU 44 1.926 -3.230 11.520
380 H ASP 45 H ASP 45 0.562 2.922 9.255
381 HA ASP 45 HA ASP 45 2.262 5.074 10.089
382 HB2 ASP 45 2HB ASP 45 3.774 4.092 8.442
383 HB3 ASP 45 1HB ASP 45 2.495 4.060 7.227
384 HA PRO 46 HA PRO 46 -1.780 6.931 9.185
385 HB2 PRO 46 2HB PRO 46 -1.117 9.542 9.806
386 HB3 PRO 46 1HB PRO 46 -1.489 8.310 11.021
387 HG2 PRO 46 2HG PRO 46 1.217 9.217 10.011
388 HG3 PRO 46 1HG PRO 46 0.678 8.981 11.691
389 HD2 PRO 46 2HD PRO 46 2.136 7.106 10.451
390 HD3 PRO 46 1HD PRO 46 0.801 6.633 11.531
391 H ARG 47 H ARG 47 1.263 8.113 7.805
392 HA ARG 47 HA ARG 47 0.224 9.907 5.865
393 HE ARG 47 HE ARG 47 4.538 11.621 5.214
394 HB2 ARG 47 2HB ARG 47 2.841 8.361 5.744
395 HB3 ARG 47 1HB ARG 47 2.447 9.804 4.813
396 HG2 ARG 47 2HG ARG 47 2.470 11.173 6.789
397 HG3 ARG 47 1HG ARG 47 2.583 9.758 7.841
398 HD2 ARG 47 2HD ARG 47 4.750 10.932 7.600
399 HD3 ARG 47 1HD ARG 47 4.826 9.266 7.013
400 HH11 ARG 47 1HH1 ARG 47 6.035 8.524 5.908
401 HH12 ARG 47 2HH1 ARG 47 7.022 8.558 4.491
402 HH21 ARG 47 1HH2 ARG 47 5.818 11.612 3.337
403 HH22 ARG 47 2HH2 ARG 47 6.889 10.286 3.038
404 H LEU 48 H LEU 48 0.943 6.422 5.741
405 HA LEU 48 HA LEU 48 0.321 5.987 2.997
406 HG LEU 48 HG LEU 48 2.345 4.683 5.188
407 HB2 LEU 48 2HB LEU 48 -0.016 4.060 5.334
408 HB3 LEU 48 1HB LEU 48 -0.038 3.610 3.631
409 HD11 LEU 48 1HD1 LEU 48 1.886 1.933 4.009
410 HD12 LEU 48 2HD1 LEU 48 1.860 2.364 5.723
411 HD13 LEU 48 3HD1 LEU 48 3.358 2.496 4.808
412 HD21 LEU 48 3HD2 LEU 48 2.191 3.957 2.249
413 HD22 LEU 48 1HD2 LEU 48 3.669 4.334 3.140
414 HD23 LEU 48 2HD2 LEU 48 2.433 5.568 2.931
415 H LEU 49 H LEU 49 -1.657 5.972 5.947
416 HA LEU 49 HA LEU 49 -4.144 5.281 4.743
417 HG LEU 49 HG LEU 49 -2.622 4.571 7.494
418 HB2 LEU 49 2HB LEU 49 -3.630 6.824 7.315
419 HB3 LEU 49 1HB LEU 49 -5.175 6.117 6.848
420 HD11 LEU 49 1HD1 LEU 49 -3.821 3.806 9.495
421 HD12 LEU 49 2HD1 LEU 49 -5.184 4.858 9.098
422 HD13 LEU 49 3HD1 LEU 49 -3.608 5.555 9.483
423 HD21 LEU 49 3HD2 LEU 49 -5.376 3.494 6.776
424 HD22 LEU 49 1HD2 LEU 49 -3.997 2.532 7.317
425 HD23 LEU 49 2HD2 LEU 49 -3.919 3.392 5.784
426 H ILE 50 H ILE 50 -2.389 8.336 4.998
427 HA ILE 50 HA ILE 50 -4.557 10.062 4.253
428 HB ILE 50 HB ILE 50 -1.576 10.545 3.756
429 HG12 ILE 50 2HG1 ILE 50 -1.890 10.206 6.140
430 HG13 ILE 50 1HG1 ILE 50 -1.631 11.918 5.863
431 HG21 ILE 50 1HG2 ILE 50 -2.978 12.032 2.391
432 HG22 ILE 50 2HG2 ILE 50 -2.162 12.948 3.655
433 HG23 ILE 50 3HG2 ILE 50 -3.872 12.550 3.826
434 HD11 ILE 50 3HD1 ILE 50 -3.312 11.557 7.539
435 HD12 ILE 50 1HD1 ILE 50 -4.268 10.572 6.432
436 HD13 ILE 50 2HD1 ILE 50 -4.046 12.297 6.115
437 H ALA 51 H ALA 51 -2.015 8.323 2.447
438 HA ALA 51 HA ALA 51 -2.680 9.170 -0.171
439 HB1 ALA 51 1HB ALA 51 -1.411 7.203 -0.954
440 HB2 ALA 51 2HB ALA 51 -1.437 6.526 0.678
441 HB3 ALA 51 3HB ALA 51 -0.560 8.023 0.356
442 H PHE 52 H PHE 52 -3.963 6.550 1.829
443 HA PHE 52 HA PHE 52 -5.770 5.334 0.032
444 HD1 PHE 52 1HD PHE 52 -8.060 3.661 1.024
445 HD2 PHE 52 2HD PHE 52 -7.143 5.998 4.485
446 HE1 PHE 52 1HE PHE 52 -10.359 3.388 1.837
447 HE2 PHE 52 2HE PHE 52 -9.447 5.703 5.291
448 HZ PHE 52 HZ PHE 52 -11.057 4.404 3.961
449 HB2 PHE 52 2HB PHE 52 -5.581 4.061 1.969
450 HB3 PHE 52 1HB PHE 52 -5.404 5.465 2.999
451 H GLN 53 H GLN 53 -6.183 8.123 2.218
452 HA GLN 53 HA GLN 53 -8.919 8.688 1.627
453 HB2 GLN 53 2HB GLN 53 -6.747 10.574 2.659
454 HB3 GLN 53 1HB GLN 53 -8.485 10.867 2.738
455 HG2 GLN 53 2HG GLN 53 -8.801 9.090 4.308
456 HG3 GLN 53 1HG GLN 53 -7.154 8.508 4.086
457 HE21 GLN 53 1HE2 GLN 53 -6.576 8.690 6.242
458 HE22 GLN 53 2HE2 GLN 53 -6.413 10.205 7.056
459 H ASN 54 H ASN 54 -5.872 9.663 0.178
460 HA ASN 54 HA ASN 54 -6.866 11.732 -1.557
461 HB2 ASN 54 2HB ASN 54 -4.245 10.169 -1.689
462 HB3 ASN 54 1HB ASN 54 -4.603 11.631 -2.607
463 HD21 ASN 54 1HD2 ASN 54 -2.425 11.200 -0.780
464 HD22 ASN 54 2HD2 ASN 54 -2.589 12.354 0.493
465 H ARG 55 H ARG 55 -6.414 8.260 -1.763
466 HA ARG 55 HA ARG 55 -6.719 7.903 -4.569
467 HE ARG 55 HE ARG 55 -7.711 3.616 -6.328
468 HB2 ARG 55 2HB ARG 55 -5.782 6.220 -2.878
469 HB3 ARG 55 1HB ARG 55 -7.432 5.899 -2.366
470 HG2 ARG 55 2HG ARG 55 -6.564 5.524 -5.251
471 HG3 ARG 55 1HG ARG 55 -6.274 4.272 -4.048
472 HD2 ARG 55 2HD ARG 55 -8.543 3.764 -3.848
473 HD3 ARG 55 1HD ARG 55 -9.065 5.354 -4.399
474 HH11 ARG 55 1HH1 ARG 55 -10.764 4.949 -5.236
475 HH12 ARG 55 2HH1 ARG 55 -11.550 4.693 -6.756
476 HH21 ARG 55 1HH2 ARG 55 -8.753 3.338 -8.328
477 HH22 ARG 55 2HH2 ARG 55 -10.412 3.798 -8.502
478 H GLU 56 H GLU 56 -8.996 8.108 -1.865
479 HA GLU 56 HA GLU 56 -11.352 7.705 -3.553
480 HB2 GLU 56 2HB GLU 56 -11.133 8.445 -0.603
481 HB3 GLU 56 1HB GLU 56 -12.614 7.971 -1.442
482 HG2 GLU 56 2HG GLU 56 -11.542 5.748 -1.920
483 HG3 GLU 56 1HG GLU 56 -10.181 6.234 -0.911
484 H ARG 57 H ARG 57 -9.370 10.322 -2.643
485 HA ARG 57 HA ARG 57 -11.346 12.425 -2.857
486 HE ARG 57 HE ARG 57 -10.348 16.827 -2.202
487 HB2 ARG 57 2HB ARG 57 -9.177 12.532 -1.482
488 HB3 ARG 57 1HB ARG 57 -8.312 12.702 -3.000
489 HG2 ARG 57 2HG ARG 57 -8.601 14.879 -1.957
490 HG3 ARG 57 1HG ARG 57 -9.537 14.813 -3.455
491 HD2 ARG 57 2HD ARG 57 -11.581 14.340 -2.126
492 HD3 ARG 57 1HD ARG 57 -10.630 14.469 -0.641
493 HH11 ARG 57 1HH1 ARG 57 -12.667 15.232 -0.094
494 HH12 ARG 57 2HH1 ARG 57 -13.474 16.708 0.322
495 HH21 ARG 57 1HH2 ARG 57 -11.405 18.747 -1.627
496 HH22 ARG 57 2HH2 ARG 57 -12.759 18.694 -0.541
497 H GLN 58 H GLN 58 -9.480 10.545 -5.054
498 HA GLN 58 HA GLN 58 -9.029 12.194 -7.260
499 HB2 GLN 58 2HB GLN 58 -9.742 9.228 -7.192
500 HB3 GLN 58 1HB GLN 58 -9.139 10.054 -8.626
501 HG2 GLN 58 2HG GLN 58 -7.624 9.766 -6.012
502 HG3 GLN 58 1HG GLN 58 -7.403 8.745 -7.431
503 HE21 GLN 58 1HE2 GLN 58 -6.377 9.596 -9.261
504 HE22 GLN 58 2HE2 GLN 58 -5.458 11.059 -9.207
505 H GLU 59 H GLU 59 -11.907 10.250 -6.496
506 HA GLU 59 HA GLU 59 -13.482 11.642 -8.562
507 HB2 GLU 59 2HB GLU 59 -14.142 9.176 -6.886
508 HB3 GLU 59 1HB GLU 59 -15.201 9.883 -8.107
509 HG2 GLU 59 2HG GLU 59 -12.499 8.578 -8.559
510 HG3 GLU 59 1HG GLU 59 -14.073 7.926 -9.004
511 H GLN 60 H GLN 60 -14.883 13.157 -8.015
512 HA GLN 60 HA GLN 60 -15.288 13.948 -5.241
513 HB2 GLN 60 2HB GLN 60 -16.113 15.217 -7.892
514 HB3 GLN 60 1HB GLN 60 -16.593 15.869 -6.337
515 HG2 GLN 60 2HG GLN 60 -14.741 17.141 -7.117
516 HG3 GLN 60 1HG GLN 60 -14.165 16.158 -5.769
517 HE21 GLN 60 1HE2 GLN 60 -12.693 14.455 -6.192
518 HE22 GLN 60 2HE2 GLN 60 -11.817 14.353 -7.676
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 23.381 0.063 7.251
2 H2 GLY 1 2HT GLY 1 23.258 1.681 6.790
3 H3 GLY 1 3HT GLY 1 24.245 0.623 5.916
4 HA2 GLY 1 1HA GLY 1 21.300 0.460 6.125
5 HA3 GLY 1 2HA GLY 1 22.196 1.056 4.730
6 H SER 2 H SER 2 20.649 -0.825 3.963
7 HA SER 2 HA SER 2 22.301 -3.251 3.646
8 HG SER 2 HG SER 2 19.030 -2.599 5.384
9 HB2 SER 2 2HB SER 2 20.160 -4.624 3.856
10 HB3 SER 2 1HB SER 2 20.717 -3.899 5.363
11 H GLU 3 H GLU 3 22.082 -4.230 1.633
12 HA GLU 3 HA GLU 3 21.648 -2.530 -0.561
13 HB2 GLU 3 2HB GLU 3 22.008 -5.551 -0.406
14 HB3 GLU 3 1HB GLU 3 22.012 -4.651 -1.923
15 HG2 GLU 3 2HG GLU 3 24.007 -3.434 -1.269
16 HG3 GLU 3 1HG GLU 3 23.955 -4.128 0.355
17 H HIS 4 H HIS 4 19.644 -5.210 0.667
18 HA HIS 4 HA HIS 4 17.643 -4.885 -1.450
19 HD1 HIS 4 1HD HIS 4 19.291 -8.469 1.088
20 HD2 HIS 4 2HD HIS 4 18.806 -7.130 -2.819
21 HE1 HIS 4 1HE HIS 4 21.016 -9.698 -0.260
22 HE2 HIS 4 2HE HIS 4 20.761 -8.817 -2.604
23 HB2 HIS 4 2HB HIS 4 17.500 -6.792 0.930
24 HB3 HIS 4 1HB HIS 4 16.644 -6.913 -0.605
25 H VAL 5 H VAL 5 16.965 -2.764 -0.945
26 HA VAL 5 HA VAL 5 15.976 -2.043 1.661
27 HB VAL 5 HB VAL 5 15.311 0.119 0.659
28 HG11 VAL 5 1HG1 VAL 5 17.570 0.925 0.023
29 HG12 VAL 5 2HG1 VAL 5 18.119 -0.744 -0.163
30 HG13 VAL 5 3HG1 VAL 5 17.629 -0.146 1.424
31 HG21 VAL 5 3HG2 VAL 5 16.218 -1.021 -2.026
32 HG22 VAL 5 1HG2 VAL 5 15.745 0.657 -1.726
33 HG23 VAL 5 2HG2 VAL 5 14.556 -0.639 -1.572
34 H PHE 6 H PHE 6 13.930 -2.060 2.409
35 HA PHE 6 HA PHE 6 11.638 -2.349 0.592
36 HD1 PHE 6 2HD PHE 6 10.260 -4.620 -0.162
37 HD2 PHE 6 1HD PHE 6 13.725 -5.720 2.095
38 HE1 PHE 6 2HE PHE 6 10.785 -6.372 -1.805
39 HE2 PHE 6 1HE PHE 6 14.244 -7.469 0.443
40 HZ PHE 6 HZ PHE 6 12.777 -7.793 -1.508
41 HB2 PHE 6 2HB PHE 6 12.170 -4.137 3.013
42 HB3 PHE 6 1HB PHE 6 10.576 -3.958 2.292
43 H ALA 7 H ALA 7 10.758 -0.452 0.909
44 HA ALA 7 HA ALA 7 9.674 0.257 3.527
45 HB1 ALA 7 1HB ALA 7 11.316 2.218 1.847
46 HB2 ALA 7 2HB ALA 7 11.809 1.517 3.390
47 HB3 ALA 7 3HB ALA 7 10.427 2.608 3.326
48 H VAL 8 H VAL 8 7.593 0.770 3.244
49 HA VAL 8 HA VAL 8 6.412 0.954 0.634
50 HB VAL 8 HB VAL 8 5.091 1.502 3.323
51 HG11 VAL 8 1HG1 VAL 8 2.956 0.965 2.158
52 HG12 VAL 8 2HG1 VAL 8 3.832 0.782 0.637
53 HG13 VAL 8 3HG1 VAL 8 3.757 2.359 1.424
54 HG21 VAL 8 3HG2 VAL 8 5.260 -1.145 1.830
55 HG22 VAL 8 1HG2 VAL 8 4.326 -0.852 3.302
56 HG23 VAL 8 2HG2 VAL 8 6.090 -0.750 3.338
57 H GLU 9 H GLU 9 5.309 2.756 -0.228
58 HA GLU 9 HA GLU 9 6.566 5.358 0.453
59 HB2 GLU 9 2HB GLU 9 7.396 4.201 -1.629
60 HB3 GLU 9 1HB GLU 9 5.769 4.269 -2.289
61 HG2 GLU 9 2HG GLU 9 5.882 6.755 -2.236
62 HG3 GLU 9 1HG GLU 9 7.524 6.645 -1.605
63 H SER 10 H SER 10 3.743 3.667 -0.823
64 HA SER 10 HA SER 10 1.852 5.665 -0.003
65 HG SER 10 HG SER 10 0.411 5.454 -3.082
66 HB2 SER 10 2HB SER 10 2.613 6.815 -2.010
67 HB3 SER 10 1HB SER 10 2.553 5.326 -2.952
68 H ILE 11 H ILE 11 -0.339 4.934 -0.292
69 HA ILE 11 HA ILE 11 -0.755 2.105 -0.959
70 HB ILE 11 HB ILE 11 -2.589 4.243 0.220
71 HG12 ILE 11 2HG1 ILE 11 -1.501 1.627 1.363
72 HG13 ILE 11 1HG1 ILE 11 -0.909 3.238 1.764
73 HG21 ILE 11 1HG2 ILE 11 -4.361 2.515 0.419
74 HG22 ILE 11 2HG2 ILE 11 -3.366 1.386 -0.500
75 HG23 ILE 11 3HG2 ILE 11 -3.973 2.853 -1.273
76 HD11 ILE 11 3HD1 ILE 11 -2.314 2.330 3.512
77 HD12 ILE 11 1HD1 ILE 11 -3.658 2.154 2.387
78 HD13 ILE 11 2HD1 ILE 11 -3.056 3.763 2.808
79 H GLU 12 H GLU 12 -1.185 1.589 -2.966
80 HA GLU 12 HA GLU 12 -1.651 3.571 -5.027
81 HB2 GLU 12 2HB GLU 12 -0.997 0.598 -5.207
82 HB3 GLU 12 1HB GLU 12 -1.131 1.687 -6.589
83 HG2 GLU 12 2HG GLU 12 0.918 1.842 -4.357
84 HG3 GLU 12 1HG GLU 12 1.208 1.329 -6.023
85 H LYS 13 H LYS 13 -3.124 0.580 -3.842
86 HA LYS 13 HA LYS 13 -5.710 1.371 -5.016
87 HB2 LYS 13 2HB LYS 13 -4.451 -1.404 -5.167
88 HB3 LYS 13 1HB LYS 13 -6.135 -1.058 -5.552
89 HG2 LYS 13 2HG LYS 13 -5.410 0.385 -7.426
90 HG3 LYS 13 1HG LYS 13 -3.719 0.034 -7.042
91 HD2 LYS 13 2HD LYS 13 -4.106 -2.366 -7.517
92 HD3 LYS 13 1HD LYS 13 -5.808 -2.031 -7.862
93 HE2 LYS 13 2HE LYS 13 -3.450 -0.922 -9.432
94 HE3 LYS 13 1HE LYS 13 -4.471 -2.274 -9.928
95 HZ1 LYS 13 3HZ LYS 13 -6.369 -0.769 -9.965
96 HZ2 LYS 13 1HZ LYS 13 -5.145 -0.223 -10.995
97 HZ3 LYS 13 2HZ LYS 13 -5.382 0.523 -9.498
98 H LYS 14 H LYS 14 -7.515 0.436 -3.958
99 HA LYS 14 HA LYS 14 -7.126 -0.559 -1.198
100 HB2 LYS 14 2HB LYS 14 -7.496 1.978 -1.351
101 HB3 LYS 14 1HB LYS 14 -9.089 1.644 -2.008
102 HG2 LYS 14 2HG LYS 14 -8.146 0.797 0.751
103 HG3 LYS 14 1HG LYS 14 -9.040 2.272 0.410
104 HD2 LYS 14 2HD LYS 14 -10.893 0.719 -0.526
105 HD3 LYS 14 1HD LYS 14 -10.015 -0.603 0.249
106 HE2 LYS 14 2HE LYS 14 -11.773 0.139 1.744
107 HE3 LYS 14 1HE LYS 14 -10.224 0.633 2.436
108 HZ1 LYS 14 3HZ LYS 14 -10.599 2.848 1.422
109 HZ2 LYS 14 1HZ LYS 14 -11.762 2.441 2.577
110 HZ3 LYS 14 2HZ LYS 14 -12.135 2.342 0.934
111 H ARG 15 H ARG 15 -8.426 -2.297 -0.820
112 HA ARG 15 HA ARG 15 -11.073 -2.469 -1.954
113 HE ARG 15 HE ARG 15 -9.005 -7.142 -3.024
114 HB2 ARG 15 2HB ARG 15 -10.598 -4.874 -2.872
115 HB3 ARG 15 1HB ARG 15 -10.152 -3.485 -3.849
116 HG2 ARG 15 2HG ARG 15 -8.368 -5.048 -4.022
117 HG3 ARG 15 1HG ARG 15 -7.783 -3.725 -3.019
118 HD2 ARG 15 2HD ARG 15 -7.002 -5.799 -2.085
119 HD3 ARG 15 1HD ARG 15 -8.236 -5.154 -1.000
120 HH11 ARG 15 1HH1 ARG 15 -8.671 -6.357 0.379
121 HH12 ARG 15 2HH1 ARG 15 -9.343 -7.862 0.911
122 HH21 ARG 15 1HH2 ARG 15 -9.926 -9.043 -2.344
123 HH22 ARG 15 2HH2 ARG 15 -10.067 -9.391 -0.657
124 H ILE 16 H ILE 16 -12.382 -4.043 -1.042
125 HA ILE 16 HA ILE 16 -11.421 -5.498 1.334
126 HB ILE 16 HB ILE 16 -13.892 -3.686 1.268
127 HG12 ILE 16 2HG1 ILE 16 -11.488 -3.748 3.114
128 HG13 ILE 16 1HG1 ILE 16 -11.720 -2.572 1.824
129 HG21 ILE 16 1HG2 ILE 16 -14.439 -4.529 3.546
130 HG22 ILE 16 2HG2 ILE 16 -13.129 -5.706 3.429
131 HG23 ILE 16 3HG2 ILE 16 -14.517 -5.824 2.345
132 HD11 ILE 16 3HD1 ILE 16 -12.210 -1.583 3.956
133 HD12 ILE 16 1HD1 ILE 16 -13.364 -2.859 4.340
134 HD13 ILE 16 2HD1 ILE 16 -13.706 -1.718 3.034
135 H ARG 17 H ARG 17 -12.068 -7.532 1.298
136 HA ARG 17 HA ARG 17 -14.614 -8.340 0.221
137 HE ARG 17 HE ARG 17 -15.297 -11.475 -3.764
138 HB2 ARG 17 2HB ARG 17 -13.116 -8.296 -1.811
139 HB3 ARG 17 1HB ARG 17 -12.076 -9.485 -1.035
140 HG2 ARG 17 2HG ARG 17 -13.957 -11.110 -1.033
141 HG3 ARG 17 1HG ARG 17 -14.979 -9.915 -1.837
142 HD2 ARG 17 2HD ARG 17 -13.350 -9.897 -3.753
143 HD3 ARG 17 1HD ARG 17 -12.454 -11.199 -2.950
144 HH11 ARG 17 1HH1 ARG 17 -12.050 -12.814 -3.666
145 HH12 ARG 17 2HH1 ARG 17 -12.498 -14.248 -4.522
146 HH21 ARG 17 1HH2 ARG 17 -15.860 -13.356 -4.874
147 HH22 ARG 17 2HH2 ARG 17 -14.654 -14.552 -5.211
148 H LYS 18 H LYS 18 -15.332 -10.252 1.133
149 HA LYS 18 HA LYS 18 -15.546 -11.951 2.613
150 HB2 LYS 18 2HB LYS 18 -13.699 -12.881 1.115
151 HB3 LYS 18 1HB LYS 18 -12.532 -12.337 2.308
152 HG2 LYS 18 2HG LYS 18 -12.935 -14.726 2.520
153 HG3 LYS 18 1HG LYS 18 -13.488 -13.884 3.968
154 HD2 LYS 18 2HD LYS 18 -15.083 -15.637 3.314
155 HD3 LYS 18 1HD LYS 18 -15.826 -14.045 3.181
156 HE2 LYS 18 2HE LYS 18 -16.443 -15.466 1.283
157 HE3 LYS 18 1HE LYS 18 -15.484 -14.094 0.731
158 HZ1 LYS 18 3HZ LYS 18 -14.761 -16.098 -0.348
159 HZ2 LYS 18 1HZ LYS 18 -14.532 -16.877 1.136
160 HZ3 LYS 18 2HZ LYS 18 -13.540 -15.580 0.699
161 H GLY 19 H GLY 19 -14.973 -9.215 3.538
162 HA2 GLY 19 2HA GLY 19 -14.787 -8.091 5.534
163 HA3 GLY 19 1HA GLY 19 -14.625 -9.641 6.344
164 H ARG 20 H ARG 20 -12.472 -8.716 3.750
165 HA ARG 20 HA ARG 20 -10.238 -8.310 5.662
166 HE ARG 20 HE ARG 20 -8.958 -12.810 6.938
167 HB2 ARG 20 2HB ARG 20 -10.100 -9.704 2.944
168 HB3 ARG 20 1HB ARG 20 -8.724 -9.361 3.994
169 HG2 ARG 20 2HG ARG 20 -11.030 -11.235 4.625
170 HG3 ARG 20 1HG ARG 20 -9.400 -11.713 4.137
171 HD2 ARG 20 2HD ARG 20 -8.482 -10.716 6.189
172 HD3 ARG 20 1HD ARG 20 -10.094 -10.185 6.679
173 HH11 ARG 20 1HH1 ARG 20 -12.035 -11.123 6.623
174 HH12 ARG 20 2HH1 ARG 20 -12.930 -12.372 7.418
175 HH21 ARG 20 1HH2 ARG 20 -10.160 -14.421 7.983
176 HH22 ARG 20 2HH2 ARG 20 -11.868 -14.219 8.199
177 H VAL 21 H VAL 21 -9.600 -6.278 5.564
178 HA VAL 21 HA VAL 21 -9.764 -4.688 3.108
179 HB VAL 21 HB VAL 21 -10.446 -3.509 5.103
180 HG11 VAL 21 1HG1 VAL 21 -9.298 -4.804 6.823
181 HG12 VAL 21 2HG1 VAL 21 -8.969 -3.084 7.040
182 HG13 VAL 21 3HG1 VAL 21 -7.740 -4.134 6.329
183 HG21 VAL 21 3HG2 VAL 21 -8.942 -1.519 5.036
184 HG22 VAL 21 1HG2 VAL 21 -9.293 -2.141 3.422
185 HG23 VAL 21 2HG2 VAL 21 -7.730 -2.471 4.174
186 H GLU 22 H GLU 22 -8.006 -4.088 1.900
187 HA GLU 22 HA GLU 22 -5.302 -4.890 2.636
188 HB2 GLU 22 2HB GLU 22 -6.284 -6.993 1.841
189 HB3 GLU 22 1HB GLU 22 -6.864 -6.214 0.376
190 HG2 GLU 22 2HG GLU 22 -4.520 -5.854 -0.337
191 HG3 GLU 22 1HG GLU 22 -3.969 -6.683 1.125
192 H TYR 23 H TYR 23 -3.752 -3.897 1.391
193 HA TYR 23 HA TYR 23 -4.624 -1.816 -0.523
194 HD1 TYR 23 2HD TYR 23 -5.940 -0.332 0.679
195 HD2 TYR 23 1HD TYR 23 -3.055 -0.846 3.780
196 HE1 TYR 23 2HE TYR 23 -7.558 0.466 2.347
197 HE2 TYR 23 1HE TYR 23 -4.675 -0.049 5.432
198 HH TYR 23 HH TYR 23 -6.656 1.223 5.594
199 HB2 TYR 23 2HB TYR 23 -2.474 -1.511 1.620
200 HB3 TYR 23 1HB TYR 23 -3.018 -0.266 0.501
201 H LEU 24 H LEU 24 -3.176 -1.410 -2.213
202 HA LEU 24 HA LEU 24 -0.982 -3.309 -2.658
203 HG LEU 24 HG LEU 24 0.269 -1.891 -5.110
204 HB2 LEU 24 2HB LEU 24 -2.606 -2.695 -4.494
205 HB3 LEU 24 1HB LEU 24 -1.989 -1.050 -4.439
206 HD11 LEU 24 1HD1 LEU 24 0.137 -4.159 -4.215
207 HD12 LEU 24 2HD1 LEU 24 0.539 -4.185 -5.929
208 HD13 LEU 24 3HD1 LEU 24 -1.101 -4.581 -5.404
209 HD21 LEU 24 3HD2 LEU 24 -0.265 -2.353 -7.453
210 HD22 LEU 24 1HD2 LEU 24 -1.281 -1.055 -6.825
211 HD23 LEU 24 2HD2 LEU 24 -1.947 -2.679 -7.027
212 H VAL 25 H VAL 25 0.935 -2.806 -1.738
213 HA VAL 25 HA VAL 25 1.522 -0.089 -0.868
214 HB VAL 25 HB VAL 25 3.350 -1.068 0.437
215 HG11 VAL 25 1HG1 VAL 25 2.002 -2.514 1.957
216 HG12 VAL 25 2HG1 VAL 25 0.769 -2.685 0.704
217 HG13 VAL 25 3HG1 VAL 25 1.086 -1.103 1.422
218 HG21 VAL 25 3HG2 VAL 25 3.759 -3.519 0.533
219 HG22 VAL 25 1HG2 VAL 25 4.150 -2.837 -1.045
220 HG23 VAL 25 2HG2 VAL 25 2.659 -3.747 -0.828
221 H LYS 26 H LYS 26 2.657 1.271 -2.087
222 HA LYS 26 HA LYS 26 4.280 0.488 -4.320
223 HB2 LYS 26 2HB LYS 26 2.958 2.771 -3.858
224 HB3 LYS 26 1HB LYS 26 4.469 3.261 -3.110
225 HG2 LYS 26 2HG LYS 26 4.085 2.392 -6.007
226 HG3 LYS 26 1HG LYS 26 4.300 4.046 -5.435
227 HD2 LYS 26 2HD LYS 26 6.606 3.471 -4.683
228 HD3 LYS 26 1HD LYS 26 6.376 1.818 -5.263
229 HE2 LYS 26 2HE LYS 26 7.675 3.092 -6.889
230 HE3 LYS 26 1HE LYS 26 6.100 2.696 -7.581
231 HZ1 LYS 26 3HZ LYS 26 5.351 4.927 -7.078
232 HZ2 LYS 26 1HZ LYS 26 6.752 4.983 -8.025
233 HZ3 LYS 26 2HZ LYS 26 6.838 5.308 -6.368
234 H TRP 27 H TRP 27 6.178 -0.551 -3.889
235 HA TRP 27 HA TRP 27 7.817 0.039 -1.590
236 HD1 TRP 27 HD TRP 27 6.521 -3.644 -3.741
237 HE1 TRP 27 1HE TRP 27 5.662 -5.089 -1.792
238 HE3 TRP 27 3HE TRP 27 8.930 -1.323 0.107
239 HZ2 TRP 27 2HZ TRP 27 5.953 -5.208 0.992
240 HZ3 TRP 27 3HZ TRP 27 8.563 -2.136 2.390
241 HH2 TRP 27 HH TRP 27 7.113 -4.047 2.824
242 HB2 TRP 27 2HB TRP 27 8.277 -1.767 -4.001
243 HB3 TRP 27 1HB TRP 27 9.406 -1.623 -2.659
244 H ARG 28 H ARG 28 9.547 1.327 -1.454
245 HA ARG 28 HA ARG 28 10.072 3.327 -3.446
246 HE ARG 28 HE ARG 28 8.372 4.979 1.170
247 HB2 ARG 28 2HB ARG 28 11.544 2.731 -0.839
248 HB3 ARG 28 1HB ARG 28 11.738 4.190 -1.814
249 HG2 ARG 28 2HG ARG 28 9.400 4.810 -1.368
250 HG3 ARG 28 1HG ARG 28 9.172 3.336 -0.423
251 HD2 ARG 28 2HD ARG 28 10.953 4.144 1.148
252 HD3 ARG 28 1HD ARG 28 11.015 5.657 0.234
253 HH11 ARG 28 1HH1 ARG 28 11.369 6.560 2.052
254 HH12 ARG 28 2HH1 ARG 28 10.631 7.534 3.277
255 HH21 ARG 28 1HH2 ARG 28 7.410 6.245 2.762
256 HH22 ARG 28 2HH2 ARG 28 8.374 7.338 3.696
257 H GLY 29 H GLY 29 11.521 3.208 -5.043
258 HA2 GLY 29 2HA GLY 29 13.369 2.662 -6.295
259 HA3 GLY 29 1HA GLY 29 14.034 1.792 -4.921
260 H TRP 30 H TRP 30 10.800 1.050 -5.942
261 HA TRP 30 HA TRP 30 11.659 -1.261 -7.571
262 HD1 TRP 30 HD TRP 30 11.528 -0.833 -3.508
263 HE1 TRP 30 1HE TRP 30 13.183 -2.471 -2.444
264 HE3 TRP 30 3HE TRP 30 11.199 -4.654 -6.879
265 HZ2 TRP 30 2HZ TRP 30 14.212 -5.042 -2.924
266 HZ3 TRP 30 3HZ TRP 30 12.540 -6.674 -6.508
267 HH2 TRP 30 HH TRP 30 14.022 -6.871 -4.566
268 HB2 TRP 30 2HB TRP 30 9.527 -1.317 -5.382
269 HB3 TRP 30 1HB TRP 30 9.835 -2.625 -6.514
270 H SER 31 H SER 31 10.278 -1.765 -9.261
271 HA SER 31 HA SER 31 8.601 0.275 -10.308
272 HG SER 31 HG SER 31 10.158 -0.390 -12.349
273 HB2 SER 31 2HB SER 31 8.894 -2.631 -11.181
274 HB3 SER 31 1HB SER 31 8.172 -1.341 -12.146
275 HA PRO 32 HA PRO 32 4.377 -0.495 -8.779
276 HB2 PRO 32 2HB PRO 32 3.813 -0.793 -11.745
277 HB3 PRO 32 1HB PRO 32 2.866 0.050 -10.505
278 HG2 PRO 32 2HG PRO 32 4.468 1.444 -12.096
279 HG3 PRO 32 1HG PRO 32 4.390 1.832 -10.366
280 HD2 PRO 32 2HD PRO 32 6.561 0.454 -11.901
281 HD3 PRO 32 1HD PRO 32 6.670 1.484 -10.454
282 H LYS 33 H LYS 33 5.754 -2.739 -11.134
283 HA LYS 33 HA LYS 33 3.832 -4.833 -10.896
284 HB2 LYS 33 2HB LYS 33 5.450 -6.195 -12.145
285 HB3 LYS 33 1HB LYS 33 5.287 -4.593 -12.858
286 HG2 LYS 33 2HG LYS 33 7.418 -3.918 -11.714
287 HG3 LYS 33 1HG LYS 33 7.583 -5.568 -11.120
288 HD2 LYS 33 2HD LYS 33 8.994 -5.257 -13.081
289 HD3 LYS 33 1HD LYS 33 7.695 -6.390 -13.465
290 HE2 LYS 33 2HE LYS 33 6.473 -4.630 -14.651
291 HE3 LYS 33 1HE LYS 33 7.687 -3.435 -14.186
292 HZ1 LYS 33 3HZ LYS 33 8.027 -4.181 -16.426
293 HZ2 LYS 33 1HZ LYS 33 8.143 -5.790 -15.923
294 HZ3 LYS 33 2HZ LYS 33 9.320 -4.672 -15.455
295 H TYR 34 H TYR 34 6.599 -3.967 -8.971
296 HA TYR 34 HA TYR 34 6.817 -6.554 -7.605
297 HD1 TYR 34 1HD TYR 34 8.928 -7.527 -8.241
298 HD2 TYR 34 2HD TYR 34 9.779 -3.413 -8.999
299 HE1 TYR 34 1HE TYR 34 10.358 -8.170 -10.123
300 HE2 TYR 34 2HE TYR 34 11.214 -4.055 -10.890
301 HH TYR 34 HH TYR 34 11.259 -7.288 -12.115
302 HB2 TYR 34 2HB TYR 34 8.379 -3.958 -7.184
303 HB3 TYR 34 1HB TYR 34 8.741 -5.502 -6.415
304 H ASN 35 H ASN 35 4.922 -3.806 -7.312
305 HA ASN 35 HA ASN 35 4.783 -3.427 -4.510
306 HB2 ASN 35 2HB ASN 35 2.728 -2.844 -6.680
307 HB3 ASN 35 1HB ASN 35 2.574 -2.316 -5.005
308 HD21 ASN 35 1HD2 ASN 35 2.504 -0.492 -6.997
309 HD22 ASN 35 2HD2 ASN 35 3.934 0.474 -6.993
310 H THR 36 H THR 36 3.793 -4.584 -2.951
311 HA THR 36 HA THR 36 2.395 -7.065 -3.728
312 HB THR 36 HB THR 36 2.967 -7.810 -1.369
313 HG1 THR 36 1HG THR 36 3.398 -6.000 -0.225
314 HG21 THR 36 3HG2 THR 36 5.314 -7.028 -3.125
315 HG22 THR 36 1HG2 THR 36 4.360 -8.506 -3.275
316 HG23 THR 36 2HG2 THR 36 5.357 -8.239 -1.840
317 H TRP 37 H TRP 37 0.509 -7.710 -2.724
318 HA TRP 37 HA TRP 37 -1.223 -5.651 -1.611
319 HD1 TRP 37 HD TRP 37 -1.278 -8.148 -5.035
320 HE1 TRP 37 1HE TRP 37 -2.505 -6.729 -6.789
321 HE3 TRP 37 3HE TRP 37 -4.116 -5.252 -1.917
322 HZ2 TRP 37 2HZ TRP 37 -4.412 -4.668 -6.857
323 HZ3 TRP 37 3HZ TRP 37 -5.615 -3.573 -2.910
324 HH2 TRP 37 HH TRP 37 -5.757 -3.289 -5.331
325 HB2 TRP 37 2HB TRP 37 -1.660 -8.547 -2.441
326 HB3 TRP 37 1HB TRP 37 -2.908 -7.588 -1.668
327 H GLU 38 H GLU 38 -1.126 -5.257 0.519
328 HA GLU 38 HA GLU 38 -0.792 -7.453 2.469
329 HB2 GLU 38 2HB GLU 38 0.620 -4.741 2.491
330 HB3 GLU 38 1HB GLU 38 0.557 -5.825 3.882
331 HG2 GLU 38 2HG GLU 38 1.760 -7.554 2.603
332 HG3 GLU 38 1HG GLU 38 1.817 -6.480 1.202
333 HA PRO 39 HA PRO 39 -4.521 -5.721 4.189
334 HB2 PRO 39 2HB PRO 39 -4.429 -6.724 6.748
335 HB3 PRO 39 1HB PRO 39 -4.810 -7.707 5.330
336 HG2 PRO 39 2HG PRO 39 -2.187 -7.410 6.783
337 HG3 PRO 39 1HG PRO 39 -2.974 -8.889 6.190
338 HD2 PRO 39 2HD PRO 39 -0.961 -7.691 4.825
339 HD3 PRO 39 1HD PRO 39 -2.290 -8.527 3.992
340 H GLU 40 H GLU 40 -5.345 -4.470 6.125
341 HA GLU 40 HA GLU 40 -3.935 -2.016 6.285
342 HB2 GLU 40 2HB GLU 40 -6.433 -2.275 6.383
343 HB3 GLU 40 1HB GLU 40 -6.271 -2.954 7.999
344 HG2 GLU 40 2HG GLU 40 -5.182 -0.753 8.685
345 HG3 GLU 40 1HG GLU 40 -5.646 -0.127 7.104
346 H GLU 41 H GLU 41 -4.102 -4.806 8.419
347 HA GLU 41 HA GLU 41 -3.072 -3.675 10.793
348 HB2 GLU 41 2HB GLU 41 -2.540 -6.032 11.455
349 HB3 GLU 41 1HB GLU 41 -4.180 -5.820 10.852
350 HG2 GLU 41 2HG GLU 41 -3.362 -6.689 8.611
351 HG3 GLU 41 1HG GLU 41 -1.842 -7.093 9.407
352 H ASN 42 H ASN 42 -1.488 -4.767 7.841
353 HA ASN 42 HA ASN 42 1.214 -4.598 8.886
354 HB2 ASN 42 2HB ASN 42 0.185 -4.709 6.008
355 HB3 ASN 42 1HB ASN 42 1.890 -4.754 6.454
356 HD21 ASN 42 1HD2 ASN 42 2.204 -6.794 5.564
357 HD22 ASN 42 2HD2 ASN 42 1.551 -8.230 6.252
358 H ILE 43 H ILE 43 -1.084 -2.424 7.368
359 HA ILE 43 HA ILE 43 0.869 -0.275 7.036
360 HB ILE 43 HB ILE 43 -2.103 -0.323 6.332
361 HG12 ILE 43 2HG1 ILE 43 -0.789 -1.906 4.946
362 HG13 ILE 43 1HG1 ILE 43 -1.323 -0.540 3.976
363 HG21 ILE 43 1HG2 ILE 43 -1.623 1.740 5.040
364 HG22 ILE 43 2HG2 ILE 43 0.032 1.752 5.653
365 HG23 ILE 43 3HG2 ILE 43 -1.324 1.976 6.762
366 HD11 ILE 43 3HD1 ILE 43 0.929 0.435 4.115
367 HD12 ILE 43 1HD1 ILE 43 0.943 -1.182 3.419
368 HD13 ILE 43 2HD1 ILE 43 1.458 -0.944 5.083
369 H LEU 44 H LEU 44 1.390 0.089 9.191
370 HA LEU 44 HA LEU 44 -0.662 1.283 10.952
371 HG LEU 44 HG LEU 44 -0.088 -1.393 11.863
372 HB2 LEU 44 2HB LEU 44 1.990 -0.077 11.433
373 HB3 LEU 44 1HB LEU 44 1.470 1.130 12.590
374 HD11 LEU 44 1HD1 LEU 44 1.919 -1.919 13.141
375 HD12 LEU 44 2HD1 LEU 44 0.482 -2.179 14.122
376 HD13 LEU 44 3HD1 LEU 44 1.481 -0.743 14.385
377 HD21 LEU 44 3HD2 LEU 44 -1.598 -0.796 13.731
378 HD22 LEU 44 1HD2 LEU 44 -1.618 0.428 12.463
379 HD23 LEU 44 2HD2 LEU 44 -0.728 0.725 13.957
380 H ASP 45 H ASP 45 1.122 2.458 8.590
381 HA ASP 45 HA ASP 45 2.310 4.731 10.044
382 HB2 ASP 45 2HB ASP 45 3.787 3.482 8.543
383 HB3 ASP 45 1HB ASP 45 2.709 3.788 7.183
384 HA PRO 46 HA PRO 46 -1.419 6.998 8.936
385 HB2 PRO 46 2HB PRO 46 0.133 9.432 9.753
386 HB3 PRO 46 1HB PRO 46 -1.390 8.796 10.395
387 HG2 PRO 46 2HG PRO 46 0.876 8.585 11.795
388 HG3 PRO 46 1HG PRO 46 -0.308 7.257 11.796
389 HD2 PRO 46 2HD PRO 46 2.252 7.519 10.199
390 HD3 PRO 46 1HD PRO 46 1.640 6.117 11.113
391 H ARG 47 H ARG 47 1.737 7.839 7.644
392 HA ARG 47 HA ARG 47 0.840 9.843 5.790
393 HE ARG 47 HE ARG 47 3.487 11.720 8.970
394 HB2 ARG 47 2HB ARG 47 3.462 8.301 5.841
395 HB3 ARG 47 1HB ARG 47 3.142 9.754 4.891
396 HG2 ARG 47 2HG ARG 47 3.194 9.555 7.923
397 HG3 ARG 47 1HG ARG 47 4.434 10.288 6.900
398 HD2 ARG 47 2HD ARG 47 2.896 12.035 6.203
399 HD3 ARG 47 1HD ARG 47 1.558 11.260 7.061
400 HH11 ARG 47 1HH1 ARG 47 1.721 13.785 6.743
401 HH12 ARG 47 2HH1 ARG 47 1.635 15.106 7.858
402 HH21 ARG 47 1HH2 ARG 47 3.314 13.432 10.430
403 HH22 ARG 47 2HH2 ARG 47 2.516 14.896 9.957
404 H LEU 48 H LEU 48 1.442 6.370 5.622
405 HA LEU 48 HA LEU 48 0.869 6.023 2.842
406 HG LEU 48 HG LEU 48 2.742 4.698 5.203
407 HB2 LEU 48 2HB LEU 48 0.376 4.050 5.111
408 HB3 LEU 48 1HB LEU 48 0.522 3.657 3.398
409 HD11 LEU 48 1HD1 LEU 48 2.154 2.392 5.695
410 HD12 LEU 48 2HD1 LEU 48 3.746 2.489 4.950
411 HD13 LEU 48 3HD1 LEU 48 2.361 1.946 3.997
412 HD21 LEU 48 3HD2 LEU 48 2.862 3.973 2.254
413 HD22 LEU 48 1HD2 LEU 48 4.255 4.331 3.279
414 HD23 LEU 48 2HD2 LEU 48 3.057 5.581 2.961
415 H LEU 49 H LEU 49 -1.065 6.150 5.786
416 HA LEU 49 HA LEU 49 -3.599 5.583 4.609
417 HG LEU 49 HG LEU 49 -2.158 4.568 7.188
418 HB2 LEU 49 2HB LEU 49 -2.918 6.951 7.235
419 HB3 LEU 49 1HB LEU 49 -4.536 6.439 6.770
420 HD11 LEU 49 1HD1 LEU 49 -4.545 5.030 9.008
421 HD12 LEU 49 2HD1 LEU 49 -2.878 5.527 9.312
422 HD13 LEU 49 3HD1 LEU 49 -3.283 3.815 9.230
423 HD21 LEU 49 3HD2 LEU 49 -3.805 2.732 7.009
424 HD22 LEU 49 1HD2 LEU 49 -3.698 3.672 5.520
425 HD23 LEU 49 2HD2 LEU 49 -5.069 3.900 6.608
426 H ILE 50 H ILE 50 -1.683 8.536 4.814
427 HA ILE 50 HA ILE 50 -3.769 10.375 4.103
428 HB ILE 50 HB ILE 50 -0.791 10.642 3.444
429 HG12 ILE 50 2HG1 ILE 50 -0.990 10.413 5.846
430 HG13 ILE 50 1HG1 ILE 50 -0.657 12.097 5.494
431 HG21 ILE 50 1HG2 ILE 50 -2.950 12.794 3.551
432 HG22 ILE 50 2HG2 ILE 50 -2.162 12.172 2.097
433 HG23 ILE 50 3HG2 ILE 50 -1.226 13.075 3.287
434 HD11 ILE 50 3HD1 ILE 50 -2.261 11.889 7.264
435 HD12 ILE 50 1HD1 ILE 50 -3.323 10.915 6.248
436 HD13 ILE 50 2HD1 ILE 50 -3.032 12.612 5.852
437 H ALA 51 H ALA 51 -1.375 8.508 2.247
438 HA ALA 51 HA ALA 51 -2.195 9.193 -0.366
439 HB1 ALA 51 1HB ALA 51 -0.945 6.597 0.596
440 HB2 ALA 51 2HB ALA 51 -0.070 8.049 0.108
441 HB3 ALA 51 3HB ALA 51 -1.012 7.151 -1.083
442 H PHE 52 H PHE 52 -3.363 6.759 1.895
443 HA PHE 52 HA PHE 52 -5.267 5.401 0.330
444 HD1 PHE 52 1HD PHE 52 -6.800 3.096 1.831
445 HD2 PHE 52 2HD PHE 52 -7.025 6.626 4.233
446 HE1 PHE 52 1HE PHE 52 -9.014 2.423 2.639
447 HE2 PHE 52 2HE PHE 52 -9.252 5.941 5.027
448 HZ PHE 52 HZ PHE 52 -10.244 3.833 4.229
449 HB2 PHE 52 2HB PHE 52 -4.758 4.424 2.412
450 HB3 PHE 52 1HB PHE 52 -4.907 5.931 3.280
451 H GLN 53 H GLN 53 -5.612 8.323 2.392
452 HA GLN 53 HA GLN 53 -8.362 8.861 1.994
453 HB2 GLN 53 2HB GLN 53 -6.060 10.800 2.515
454 HB3 GLN 53 1HB GLN 53 -7.764 11.238 2.637
455 HG2 GLN 53 2HG GLN 53 -8.071 9.763 4.520
456 HG3 GLN 53 1HG GLN 53 -6.446 9.105 4.334
457 HE21 GLN 53 1HE2 GLN 53 -7.644 10.458 6.659
458 HE22 GLN 53 2HE2 GLN 53 -6.622 11.803 7.006
459 H ASN 54 H ASN 54 -5.501 9.856 0.210
460 HA ASN 54 HA ASN 54 -6.810 11.527 -1.725
461 HB2 ASN 54 2HB ASN 54 -4.021 10.283 -1.717
462 HB3 ASN 54 1HB ASN 54 -4.564 11.537 -2.835
463 HD21 ASN 54 1HD2 ASN 54 -2.471 11.455 -0.648
464 HD22 ASN 54 2HD2 ASN 54 -2.788 12.864 0.288
465 H ARG 55 H ARG 55 -6.064 8.126 -1.494
466 HA ARG 55 HA ARG 55 -6.667 7.540 -4.272
467 HE ARG 55 HE ARG 55 -3.971 5.900 -6.550
468 HB2 ARG 55 2HB ARG 55 -5.418 6.086 -2.075
469 HB3 ARG 55 1HB ARG 55 -6.741 5.111 -2.687
470 HG2 ARG 55 2HG ARG 55 -4.667 4.526 -3.818
471 HG3 ARG 55 1HG ARG 55 -5.811 5.233 -4.961
472 HD2 ARG 55 2HD ARG 55 -4.598 7.422 -4.720
473 HD3 ARG 55 1HD ARG 55 -3.393 6.597 -3.719
474 HH11 ARG 55 1HH1 ARG 55 -1.612 6.316 -3.974
475 HH12 ARG 55 2HH1 ARG 55 -0.263 5.898 -4.978
476 HH21 ARG 55 1HH2 ARG 55 -2.192 5.340 -7.845
477 HH22 ARG 55 2HH2 ARG 55 -0.597 5.330 -7.166
478 H GLU 56 H GLU 56 -8.408 7.790 -1.260
479 HA GLU 56 HA GLU 56 -10.820 6.475 -2.092
480 HB2 GLU 56 2HB GLU 56 -10.378 8.654 0.010
481 HB3 GLU 56 1HB GLU 56 -11.912 7.829 -0.245
482 HG2 GLU 56 2HG GLU 56 -9.325 6.606 0.752
483 HG3 GLU 56 1HG GLU 56 -10.782 6.911 1.688
484 H ARG 57 H ARG 57 -9.533 9.746 -2.326
485 HA ARG 57 HA ARG 57 -11.914 10.664 -3.851
486 HE ARG 57 HE ARG 57 -12.066 14.440 -2.267
487 HB2 ARG 57 2HB ARG 57 -9.964 12.233 -2.102
488 HB3 ARG 57 1HB ARG 57 -11.251 12.953 -3.068
489 HG2 ARG 57 2HG ARG 57 -12.901 11.567 -1.708
490 HG3 ARG 57 1HG ARG 57 -11.548 11.143 -0.651
491 HD2 ARG 57 2HD ARG 57 -12.875 13.048 0.232
492 HD3 ARG 57 1HD ARG 57 -11.202 13.506 -0.101
493 HH11 ARG 57 1HH1 ARG 57 -14.243 14.219 0.474
494 HH12 ARG 57 2HH1 ARG 57 -15.237 15.534 -0.061
495 HH21 ARG 57 1HH2 ARG 57 -13.417 16.126 -2.981
496 HH22 ARG 57 2HH2 ARG 57 -14.766 16.614 -2.006
497 H GLN 58 H GLN 58 -9.676 9.253 -5.051
498 HA GLN 58 HA GLN 58 -7.932 11.109 -6.348
499 HB2 GLN 58 2HB GLN 58 -7.226 9.207 -7.763
500 HB3 GLN 58 1HB GLN 58 -7.216 8.802 -6.053
501 HG2 GLN 58 2HG GLN 58 -9.359 7.578 -6.361
502 HG3 GLN 58 1HG GLN 58 -9.297 7.938 -8.085
503 HE21 GLN 58 1HE2 GLN 58 -7.598 7.032 -9.326
504 HE22 GLN 58 2HE2 GLN 58 -6.796 5.585 -8.830
505 H GLU 59 H GLU 59 -8.348 12.435 -7.964
506 HA GLU 59 HA GLU 59 -10.963 12.582 -9.173
507 HB2 GLU 59 2HB GLU 59 -8.442 14.264 -9.538
508 HB3 GLU 59 1HB GLU 59 -9.993 14.638 -10.293
509 HG2 GLU 59 2HG GLU 59 -11.034 14.935 -8.109
510 HG3 GLU 59 1HG GLU 59 -9.546 14.446 -7.295
511 H GLN 60 H GLN 60 -7.934 11.240 -10.101
512 HA GLN 60 HA GLN 60 -8.859 10.746 -12.864
513 HB2 GLN 60 2HB GLN 60 -6.016 10.652 -11.724
514 HB3 GLN 60 1HB GLN 60 -6.457 10.298 -13.393
515 HG2 GLN 60 2HG GLN 60 -6.797 12.977 -12.010
516 HG3 GLN 60 1HG GLN 60 -5.495 12.566 -13.126
517 HE21 GLN 60 1HE2 GLN 60 -5.994 12.339 -15.368
518 HE22 GLN 60 2HE2 GLN 60 -7.438 12.997 -16.042
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 20.925 4.588 7.051
2 H2 GLY 1 2HT GLY 1 19.741 3.399 7.237
3 H3 GLY 1 3HT GLY 1 19.293 5.019 7.053
4 HA2 GLY 1 1HA GLY 1 18.939 3.781 5.030
5 HA3 GLY 1 2HA GLY 1 20.119 5.070 4.835
6 H SER 2 H SER 2 19.519 2.008 3.967
7 HA SER 2 HA SER 2 22.367 1.340 3.514
8 HG SER 2 HG SER 2 22.645 0.035 5.782
9 HB2 SER 2 2HB SER 2 20.229 -0.624 4.468
10 HB3 SER 2 1HB SER 2 21.882 -1.054 4.019
11 H GLU 3 H GLU 3 22.655 -0.212 1.701
12 HA GLU 3 HA GLU 3 20.877 0.261 -0.538
13 HB2 GLU 3 2HB GLU 3 23.363 -1.476 -0.233
14 HB3 GLU 3 1HB GLU 3 22.477 -1.286 -1.747
15 HG2 GLU 3 2HG GLU 3 22.954 1.134 -1.729
16 HG3 GLU 3 1HG GLU 3 23.856 0.949 -0.219
17 H HIS 4 H HIS 4 19.969 -1.527 -1.834
18 HA HIS 4 HA HIS 4 18.834 -3.421 -2.275
19 HD1 HIS 4 1HD HIS 4 18.482 -6.410 0.780
20 HD2 HIS 4 2HD HIS 4 19.476 -6.425 -3.257
21 HE1 HIS 4 1HE HIS 4 17.480 -8.520 -0.143
22 HE2 HIS 4 2HE HIS 4 17.924 -8.396 -2.618
23 HB2 HIS 4 2HB HIS 4 20.836 -4.630 -1.454
24 HB3 HIS 4 1HB HIS 4 20.186 -4.618 0.179
25 H VAL 5 H VAL 5 18.216 -1.549 0.397
26 HA VAL 5 HA VAL 5 16.215 -3.134 1.711
27 HB VAL 5 HB VAL 5 15.711 -1.165 3.081
28 HG11 VAL 5 1HG1 VAL 5 17.914 -0.849 4.153
29 HG12 VAL 5 2HG1 VAL 5 18.711 -1.526 2.730
30 HG13 VAL 5 3HG1 VAL 5 17.648 -2.540 3.709
31 HG21 VAL 5 3HG2 VAL 5 16.872 1.017 2.769
32 HG22 VAL 5 1HG2 VAL 5 15.839 0.627 1.391
33 HG23 VAL 5 2HG2 VAL 5 17.587 0.422 1.268
34 H PHE 6 H PHE 6 14.072 -3.047 1.546
35 HA PHE 6 HA PHE 6 12.796 -1.429 -0.560
36 HD1 PHE 6 1HD PHE 6 14.140 -5.122 0.255
37 HD2 PHE 6 2HD PHE 6 10.083 -4.456 1.424
38 HE1 PHE 6 1HE PHE 6 14.253 -7.049 1.784
39 HE2 PHE 6 2HE PHE 6 10.208 -6.377 2.949
40 HZ PHE 6 HZ PHE 6 12.288 -7.677 3.127
41 HB2 PHE 6 2HB PHE 6 10.981 -3.248 -0.464
42 HB3 PHE 6 1HB PHE 6 12.511 -3.724 -1.166
43 H ALA 7 H ALA 7 11.201 -0.062 0.030
44 HA ALA 7 HA ALA 7 10.153 -0.028 2.797
45 HB1 ALA 7 1HB ALA 7 11.358 2.384 1.366
46 HB2 ALA 7 2HB ALA 7 12.093 1.515 2.714
47 HB3 ALA 7 3HB ALA 7 10.586 2.398 2.956
48 H VAL 8 H VAL 8 8.024 0.640 2.929
49 HA VAL 8 HA VAL 8 6.460 0.713 0.538
50 HB VAL 8 HB VAL 8 5.606 1.396 3.386
51 HG11 VAL 8 1HG1 VAL 8 3.287 0.948 2.549
52 HG12 VAL 8 2HG1 VAL 8 3.928 0.789 0.914
53 HG13 VAL 8 3HG1 VAL 8 4.029 2.335 1.750
54 HG21 VAL 8 3HG2 VAL 8 6.441 -0.922 3.231
55 HG22 VAL 8 1HG2 VAL 8 5.354 -1.237 1.874
56 HG23 VAL 8 2HG2 VAL 8 4.694 -0.903 3.478
57 H GLU 9 H GLU 9 5.949 2.389 -0.661
58 HA GLU 9 HA GLU 9 6.820 5.084 -0.059
59 HB2 GLU 9 2HB GLU 9 7.157 4.094 -2.319
60 HB3 GLU 9 1HB GLU 9 5.423 3.931 -2.513
61 HG2 GLU 9 2HG GLU 9 6.055 5.833 -3.774
62 HG3 GLU 9 1HG GLU 9 5.245 6.453 -2.337
63 H SER 10 H SER 10 3.741 3.480 -0.975
64 HA SER 10 HA SER 10 2.048 5.230 0.505
65 HG SER 10 HG SER 10 0.679 7.235 -2.135
66 HB2 SER 10 2HB SER 10 2.940 6.770 -1.329
67 HB3 SER 10 1HB SER 10 2.152 5.725 -2.511
68 H ILE 11 H ILE 11 -0.277 4.913 -0.088
69 HA ILE 11 HA ILE 11 -0.903 2.162 -0.856
70 HB ILE 11 HB ILE 11 -2.664 4.432 0.171
71 HG12 ILE 11 2HG1 ILE 11 -1.740 1.848 1.513
72 HG13 ILE 11 1HG1 ILE 11 -1.084 3.451 1.843
73 HG21 ILE 11 1HG2 ILE 11 -4.513 2.778 0.370
74 HG22 ILE 11 2HG2 ILE 11 -3.515 1.561 -0.426
75 HG23 ILE 11 3HG2 ILE 11 -4.027 2.998 -1.314
76 HD11 ILE 11 3HD1 ILE 11 -2.617 2.753 3.572
77 HD12 ILE 11 1HD1 ILE 11 -3.908 2.531 2.392
78 HD13 ILE 11 2HD1 ILE 11 -3.268 4.148 2.714
79 H GLU 12 H GLU 12 -1.243 1.674 -2.893
80 HA GLU 12 HA GLU 12 -1.645 3.698 -4.950
81 HB2 GLU 12 2HB GLU 12 -1.077 0.708 -5.227
82 HB3 GLU 12 1HB GLU 12 -1.077 1.887 -6.543
83 HG2 GLU 12 2HG GLU 12 0.849 1.791 -4.195
84 HG3 GLU 12 1HG GLU 12 1.200 1.327 -5.858
85 H LYS 13 H LYS 13 -3.243 0.844 -3.592
86 HA LYS 13 HA LYS 13 -5.776 1.615 -4.880
87 HB2 LYS 13 2HB LYS 13 -4.622 -1.211 -4.889
88 HB3 LYS 13 1HB LYS 13 -6.282 -0.811 -5.323
89 HG2 LYS 13 2HG LYS 13 -5.474 0.509 -7.242
90 HG3 LYS 13 1HG LYS 13 -3.807 0.150 -6.788
91 HD2 LYS 13 2HD LYS 13 -4.525 -1.311 -8.628
92 HD3 LYS 13 1HD LYS 13 -4.204 -2.261 -7.178
93 HE2 LYS 13 2HE LYS 13 -6.218 -3.081 -8.248
94 HE3 LYS 13 1HE LYS 13 -6.648 -2.328 -6.714
95 HZ1 LYS 13 3HZ LYS 13 -7.273 -0.326 -7.945
96 HZ2 LYS 13 1HZ LYS 13 -8.164 -1.673 -8.439
97 HZ3 LYS 13 2HZ LYS 13 -6.904 -1.103 -9.401
98 H LYS 14 H LYS 14 -7.517 1.364 -3.657
99 HA LYS 14 HA LYS 14 -7.391 0.078 -0.991
100 HB2 LYS 14 2HB LYS 14 -8.012 2.364 -0.680
101 HB3 LYS 14 1HB LYS 14 -9.010 2.384 -2.115
102 HG2 LYS 14 2HG LYS 14 -10.447 2.533 -0.206
103 HG3 LYS 14 1HG LYS 14 -10.688 0.956 -0.962
104 HD2 LYS 14 2HD LYS 14 -9.185 -0.049 0.776
105 HD3 LYS 14 1HD LYS 14 -9.081 1.534 1.552
106 HE2 LYS 14 2HE LYS 14 -11.525 -0.243 1.265
107 HE3 LYS 14 1HE LYS 14 -10.730 0.278 2.753
108 HZ1 LYS 14 3HZ LYS 14 -12.311 1.944 0.875
109 HZ2 LYS 14 1HZ LYS 14 -11.386 2.592 2.138
110 HZ3 LYS 14 2HZ LYS 14 -12.685 1.564 2.477
111 H ARG 15 H ARG 15 -8.764 -1.596 -0.569
112 HA ARG 15 HA ARG 15 -11.243 -2.037 -1.901
113 HE ARG 15 HE ARG 15 -6.499 -5.888 -1.473
114 HB2 ARG 15 2HB ARG 15 -10.714 -4.312 -2.840
115 HB3 ARG 15 1HB ARG 15 -9.904 -3.003 -3.674
116 HG2 ARG 15 2HG ARG 15 -8.287 -4.713 -3.551
117 HG3 ARG 15 1HG ARG 15 -7.811 -3.574 -2.296
118 HD2 ARG 15 2HD ARG 15 -8.551 -5.015 -0.562
119 HD3 ARG 15 1HD ARG 15 -9.452 -6.050 -1.686
120 HH11 ARG 15 1HH1 ARG 15 -9.352 -7.742 -2.365
121 HH12 ARG 15 2HH1 ARG 15 -8.457 -9.193 -2.660
122 HH21 ARG 15 1HH2 ARG 15 -5.362 -7.800 -1.849
123 HH22 ARG 15 2HH2 ARG 15 -6.198 -9.228 -2.350
124 H ILE 16 H ILE 16 -12.380 -3.922 -1.056
125 HA ILE 16 HA ILE 16 -11.167 -5.362 1.213
126 HB ILE 16 HB ILE 16 -13.990 -4.192 1.120
127 HG12 ILE 16 2HG1 ILE 16 -11.808 -4.088 3.229
128 HG13 ILE 16 1HG1 ILE 16 -12.190 -2.775 2.119
129 HG21 ILE 16 1HG2 ILE 16 -14.565 -5.514 3.150
130 HG22 ILE 16 2HG2 ILE 16 -13.032 -6.382 3.020
131 HG23 ILE 16 3HG2 ILE 16 -14.258 -6.557 1.762
132 HD11 ILE 16 3HD1 ILE 16 -13.076 -2.325 4.309
133 HD12 ILE 16 1HD1 ILE 16 -13.949 -3.856 4.323
134 HD13 ILE 16 2HD1 ILE 16 -14.410 -2.582 3.187
135 H ARG 17 H ARG 17 -11.424 -7.553 1.054
136 HA ARG 17 HA ARG 17 -13.572 -8.670 -0.554
137 HE ARG 17 HE ARG 17 -13.624 -10.786 -4.644
138 HB2 ARG 17 2HB ARG 17 -11.254 -8.340 -1.893
139 HB3 ARG 17 1HB ARG 17 -10.814 -9.822 -1.061
140 HG2 ARG 17 2HG ARG 17 -11.651 -10.374 -3.250
141 HG3 ARG 17 1HG ARG 17 -12.824 -10.935 -2.053
142 HD2 ARG 17 2HD ARG 17 -14.250 -9.005 -2.492
143 HD3 ARG 17 1HD ARG 17 -13.050 -8.319 -3.593
144 HH11 ARG 17 1HH1 ARG 17 -15.607 -8.002 -3.803
145 HH12 ARG 17 2HH1 ARG 17 -16.729 -8.265 -5.100
146 HH21 ARG 17 1HH2 ARG 17 -15.098 -11.097 -6.344
147 HH22 ARG 17 2HH2 ARG 17 -16.440 -10.009 -6.537
148 H LYS 18 H LYS 18 -14.393 -10.491 0.360
149 HA LYS 18 HA LYS 18 -14.850 -12.138 1.842
150 HB2 LYS 18 2HB LYS 18 -11.811 -12.386 1.930
151 HB3 LYS 18 1HB LYS 18 -12.901 -13.529 2.716
152 HG2 LYS 18 2HG LYS 18 -12.844 -12.951 -0.273
153 HG3 LYS 18 1HG LYS 18 -12.048 -14.320 0.518
154 HD2 LYS 18 2HD LYS 18 -14.282 -15.111 1.322
155 HD3 LYS 18 1HD LYS 18 -15.048 -13.768 0.463
156 HE2 LYS 18 2HE LYS 18 -15.196 -15.860 -0.823
157 HE3 LYS 18 1HE LYS 18 -14.224 -14.660 -1.679
158 HZ1 LYS 18 3HZ LYS 18 -13.204 -16.841 -1.758
159 HZ2 LYS 18 1HZ LYS 18 -13.164 -16.926 -0.067
160 HZ3 LYS 18 2HZ LYS 18 -12.228 -15.780 -0.882
161 H GLY 19 H GLY 19 -14.649 -9.390 2.762
162 HA2 GLY 19 2HA GLY 19 -14.927 -8.219 4.722
163 HA3 GLY 19 1HA GLY 19 -14.792 -9.731 5.598
164 H ARG 20 H ARG 20 -12.182 -9.115 3.512
165 HA ARG 20 HA ARG 20 -10.421 -8.308 5.738
166 HE ARG 20 HE ARG 20 -10.591 -12.232 7.606
167 HB2 ARG 20 2HB ARG 20 -9.803 -9.879 3.190
168 HB3 ARG 20 1HB ARG 20 -8.581 -9.334 4.342
169 HG2 ARG 20 2HG ARG 20 -10.834 -11.297 4.928
170 HG3 ARG 20 1HG ARG 20 -9.136 -11.709 4.658
171 HD2 ARG 20 2HD ARG 20 -8.512 -10.379 6.671
172 HD3 ARG 20 1HD ARG 20 -10.218 -10.020 6.947
173 HH11 ARG 20 1HH1 ARG 20 -7.218 -11.756 6.732
174 HH12 ARG 20 2HH1 ARG 20 -6.683 -13.197 7.531
175 HH21 ARG 20 1HH2 ARG 20 -9.880 -14.131 8.633
176 HH22 ARG 20 2HH2 ARG 20 -8.195 -14.545 8.615
177 H VAL 21 H VAL 21 -9.127 -6.575 5.482
178 HA VAL 21 HA VAL 21 -9.428 -4.954 3.020
179 HB VAL 21 HB VAL 21 -10.622 -3.794 4.727
180 HG11 VAL 21 1HG1 VAL 21 -9.859 -4.959 6.725
181 HG12 VAL 21 2HG1 VAL 21 -9.724 -3.217 6.968
182 HG13 VAL 21 3HG1 VAL 21 -8.282 -4.173 6.624
183 HG21 VAL 21 3HG2 VAL 21 -9.201 -2.321 3.362
184 HG22 VAL 21 1HG2 VAL 21 -7.875 -2.489 4.520
185 HG23 VAL 21 2HG2 VAL 21 -9.363 -1.672 4.995
186 H GLU 22 H GLU 22 -7.622 -4.919 1.904
187 HA GLU 22 HA GLU 22 -5.062 -4.428 3.250
188 HB2 GLU 22 2HB GLU 22 -3.940 -5.949 1.461
189 HB3 GLU 22 1HB GLU 22 -4.670 -6.704 2.867
190 HG2 GLU 22 2HG GLU 22 -6.070 -6.498 0.196
191 HG3 GLU 22 1HG GLU 22 -5.012 -7.840 0.619
192 H TYR 23 H TYR 23 -3.555 -3.339 2.048
193 HA TYR 23 HA TYR 23 -4.649 -1.707 -0.162
194 HD1 TYR 23 1HD TYR 23 -6.155 -0.319 0.904
195 HD2 TYR 23 2HD TYR 23 -3.260 -0.259 4.049
196 HE1 TYR 23 1HE TYR 23 -7.888 0.315 2.530
197 HE2 TYR 23 2HE TYR 23 -5.004 0.373 5.659
198 HH TYR 23 HH TYR 23 -7.188 1.405 5.693
199 HB2 TYR 23 2HB TYR 23 -2.555 -0.913 1.912
200 HB3 TYR 23 1HB TYR 23 -3.299 0.134 0.708
201 H LEU 24 H LEU 24 -3.340 -1.328 -1.923
202 HA LEU 24 HA LEU 24 -1.173 -3.197 -2.418
203 HG LEU 24 HG LEU 24 -0.083 -2.160 -4.956
204 HB2 LEU 24 2HB LEU 24 -2.973 -2.534 -4.107
205 HB3 LEU 24 1HB LEU 24 -2.205 -0.954 -4.206
206 HD11 LEU 24 1HD1 LEU 24 -0.637 -4.414 -4.127
207 HD12 LEU 24 2HD1 LEU 24 -0.270 -4.421 -5.850
208 HD13 LEU 24 3HD1 LEU 24 -1.948 -4.524 -5.307
209 HD21 LEU 24 3HD2 LEU 24 -0.782 -2.376 -7.259
210 HD22 LEU 24 1HD2 LEU 24 -1.571 -0.981 -6.527
211 HD23 LEU 24 2HD2 LEU 24 -2.472 -2.478 -6.772
212 H VAL 25 H VAL 25 0.779 -2.666 -1.530
213 HA VAL 25 HA VAL 25 1.531 0.119 -1.072
214 HB VAL 25 HB VAL 25 3.354 -0.787 0.320
215 HG11 VAL 25 1HG1 VAL 25 0.643 -2.044 0.940
216 HG12 VAL 25 2HG1 VAL 25 1.147 -0.400 1.344
217 HG13 VAL 25 3HG1 VAL 25 1.943 -1.776 2.107
218 HG21 VAL 25 3HG2 VAL 25 3.579 -3.204 0.796
219 HG22 VAL 25 1HG2 VAL 25 3.871 -2.873 -0.912
220 HG23 VAL 25 2HG2 VAL 25 2.333 -3.570 -0.401
221 H LYS 26 H LYS 26 2.843 1.204 -2.372
222 HA LYS 26 HA LYS 26 4.232 -0.006 -4.589
223 HB2 LYS 26 2HB LYS 26 3.154 2.333 -4.507
224 HB3 LYS 26 1HB LYS 26 4.544 2.852 -3.574
225 HG2 LYS 26 2HG LYS 26 4.781 1.640 -6.351
226 HG3 LYS 26 1HG LYS 26 4.530 3.367 -6.087
227 HD2 LYS 26 2HD LYS 26 6.675 3.415 -4.755
228 HD3 LYS 26 1HD LYS 26 6.929 1.716 -5.172
229 HE2 LYS 26 2HE LYS 26 8.225 3.213 -6.642
230 HE3 LYS 26 1HE LYS 26 7.023 2.306 -7.561
231 HZ1 LYS 26 3HZ LYS 26 7.037 4.582 -8.246
232 HZ2 LYS 26 1HZ LYS 26 6.796 5.119 -6.664
233 HZ3 LYS 26 2HZ LYS 26 5.575 4.267 -7.462
234 H TRP 27 H TRP 27 5.946 -1.295 -4.007
235 HA TRP 27 HA TRP 27 7.725 -0.661 -1.850
236 HD1 TRP 27 HD TRP 27 5.831 -4.442 -2.994
237 HE1 TRP 27 1HE TRP 27 5.225 -5.343 -0.666
238 HE3 TRP 27 3HE TRP 27 9.134 -1.776 -0.157
239 HZ2 TRP 27 2HZ TRP 27 5.986 -4.972 2.008
240 HZ3 TRP 27 3HZ TRP 27 9.127 -2.093 2.277
241 HH2 TRP 27 HH TRP 27 7.587 -3.657 3.337
242 HB2 TRP 27 2HB TRP 27 7.680 -2.863 -3.935
243 HB3 TRP 27 1HB TRP 27 9.061 -2.667 -2.862
244 H ARG 28 H ARG 28 9.282 0.727 -1.904
245 HA ARG 28 HA ARG 28 10.544 1.810 -4.245
246 HE ARG 28 HE ARG 28 12.220 4.763 -0.962
247 HB2 ARG 28 2HB ARG 28 11.217 2.053 -1.279
248 HB3 ARG 28 1HB ARG 28 11.971 3.009 -2.555
249 HG2 ARG 28 2HG ARG 28 9.901 4.145 -3.038
250 HG3 ARG 28 1HG ARG 28 8.981 3.047 -2.008
251 HD2 ARG 28 2HD ARG 28 9.285 5.213 -0.916
252 HD3 ARG 28 1HD ARG 28 10.123 3.949 -0.016
253 HH11 ARG 28 1HH1 ARG 28 9.511 6.978 -1.297
254 HH12 ARG 28 2HH1 ARG 28 10.522 8.384 -1.316
255 HH21 ARG 28 1HH2 ARG 28 13.519 6.633 -0.977
256 HH22 ARG 28 2HH2 ARG 28 12.770 8.194 -1.125
257 H GLY 29 H GLY 29 12.715 1.446 -4.878
258 HA2 GLY 29 2HA GLY 29 14.726 0.231 -5.045
259 HA3 GLY 29 1HA GLY 29 14.130 -0.937 -3.867
260 H TRP 30 H TRP 30 11.730 -1.641 -4.845
261 HA TRP 30 HA TRP 30 12.205 -3.108 -7.299
262 HD1 TRP 30 HD TRP 30 11.068 -3.718 -3.229
263 HE1 TRP 30 1HE TRP 30 12.259 -5.903 -2.578
264 HE3 TRP 30 3HE TRP 30 11.336 -5.928 -7.859
265 HZ2 TRP 30 2HZ TRP 30 13.207 -8.239 -3.846
266 HZ3 TRP 30 3HZ TRP 30 12.416 -8.139 -8.050
267 HH2 TRP 30 HH TRP 30 13.331 -9.270 -6.080
268 HB2 TRP 30 2HB TRP 30 9.774 -2.934 -5.453
269 HB3 TRP 30 1HB TRP 30 9.881 -3.996 -6.856
270 H SER 31 H SER 31 10.533 -3.061 -9.051
271 HA SER 31 HA SER 31 10.084 -0.405 -10.031
272 HG SER 31 HG SER 31 11.531 -2.224 -10.943
273 HB2 SER 31 2HB SER 31 9.036 -3.059 -11.093
274 HB3 SER 31 1HB SER 31 9.104 -1.541 -11.986
275 HA PRO 32 HA PRO 32 6.011 0.689 -8.450
276 HB2 PRO 32 2HB PRO 32 5.350 1.171 -11.369
277 HB3 PRO 32 1HB PRO 32 5.025 2.197 -9.960
278 HG2 PRO 32 2HG PRO 32 7.070 2.772 -11.556
279 HG3 PRO 32 1HG PRO 32 7.264 2.900 -9.795
280 HD2 PRO 32 2HD PRO 32 8.281 0.782 -11.668
281 HD3 PRO 32 1HD PRO 32 9.032 1.453 -10.201
282 H LYS 33 H LYS 33 6.222 -1.616 -11.115
283 HA LYS 33 HA LYS 33 3.478 -2.496 -10.982
284 HB2 LYS 33 2HB LYS 33 4.065 -4.097 -12.693
285 HB3 LYS 33 1HB LYS 33 4.812 -2.555 -13.087
286 HG2 LYS 33 2HG LYS 33 6.984 -3.404 -12.226
287 HG3 LYS 33 1HG LYS 33 6.225 -4.958 -11.869
288 HD2 LYS 33 2HD LYS 33 6.512 -3.718 -14.645
289 HD3 LYS 33 1HD LYS 33 7.526 -4.999 -13.983
290 HE2 LYS 33 2HE LYS 33 5.989 -6.109 -15.399
291 HE3 LYS 33 1HE LYS 33 5.371 -6.392 -13.777
292 HZ1 LYS 33 3HZ LYS 33 3.689 -4.761 -14.120
293 HZ2 LYS 33 1HZ LYS 33 3.666 -5.803 -15.448
294 HZ3 LYS 33 2HZ LYS 33 4.358 -4.268 -15.588
295 H TYR 34 H TYR 34 6.350 -3.332 -9.270
296 HA TYR 34 HA TYR 34 5.419 -5.984 -8.424
297 HD1 TYR 34 2HD TYR 34 6.610 -7.581 -9.436
298 HD2 TYR 34 1HD TYR 34 9.595 -4.524 -9.544
299 HE1 TYR 34 2HE TYR 34 7.485 -8.511 -11.527
300 HE2 TYR 34 1HE TYR 34 10.465 -5.462 -11.647
301 HH TYR 34 HH TYR 34 10.470 -7.538 -12.875
302 HB2 TYR 34 2HB TYR 34 7.993 -4.468 -7.808
303 HB3 TYR 34 1HB TYR 34 7.641 -6.097 -7.240
304 H ASN 35 H ASN 35 4.142 -3.364 -7.635
305 HA ASN 35 HA ASN 35 4.183 -3.228 -4.800
306 HB2 ASN 35 2HB ASN 35 1.916 -2.074 -5.145
307 HB3 ASN 35 1HB ASN 35 3.295 -1.331 -5.942
308 HD21 ASN 35 1HD2 ASN 35 1.784 -0.254 -7.316
309 HD22 ASN 35 2HD2 ASN 35 1.070 -1.067 -8.659
310 H THR 36 H THR 36 2.807 -4.253 -3.276
311 HA THR 36 HA THR 36 1.131 -6.499 -4.211
312 HB THR 36 HB THR 36 3.394 -7.444 -3.745
313 HG1 THR 36 1HG THR 36 1.872 -8.445 -1.633
314 HG21 THR 36 3HG2 THR 36 4.254 -7.563 -1.444
315 HG22 THR 36 1HG2 THR 36 2.918 -6.563 -0.871
316 HG23 THR 36 2HG2 THR 36 4.123 -5.883 -1.967
317 H TRP 37 H TRP 37 -0.144 -7.466 -2.391
318 HA TRP 37 HA TRP 37 -1.496 -5.307 -0.997
319 HD1 TRP 37 HD TRP 37 -2.278 -8.522 -3.880
320 HE1 TRP 37 1HE TRP 37 -3.566 -7.322 -5.754
321 HE3 TRP 37 3HE TRP 37 -4.154 -4.612 -1.193
322 HZ2 TRP 37 2HZ TRP 37 -5.140 -5.001 -6.064
323 HZ3 TRP 37 3HZ TRP 37 -5.519 -2.932 -2.340
324 HH2 TRP 37 HH TRP 37 -6.012 -3.123 -4.734
325 HB2 TRP 37 2HB TRP 37 -2.201 -8.262 -1.232
326 HB3 TRP 37 1HB TRP 37 -3.239 -7.018 -0.537
327 H GLU 38 H GLU 38 -0.617 -4.693 0.882
328 HA GLU 38 HA GLU 38 0.016 -6.691 2.980
329 HB2 GLU 38 2HB GLU 38 0.555 -3.688 2.843
330 HB3 GLU 38 1HB GLU 38 0.934 -4.702 4.234
331 HG2 GLU 38 2HG GLU 38 2.158 -4.936 1.463
332 HG3 GLU 38 1HG GLU 38 2.910 -4.188 2.868
333 HA PRO 39 HA PRO 39 -4.144 -5.855 4.506
334 HB2 PRO 39 2HB PRO 39 -3.873 -6.866 7.089
335 HB3 PRO 39 1HB PRO 39 -4.182 -7.851 5.650
336 HG2 PRO 39 2HG PRO 39 -1.576 -7.286 7.045
337 HG3 PRO 39 1HG PRO 39 -2.180 -8.818 6.380
338 HD2 PRO 39 2HD PRO 39 -0.362 -7.334 5.039
339 HD3 PRO 39 1HD PRO 39 -1.632 -8.233 4.176
340 H GLU 40 H GLU 40 -5.242 -4.589 6.098
341 HA GLU 40 HA GLU 40 -4.275 -2.008 6.388
342 HB2 GLU 40 2HB GLU 40 -6.663 -2.610 6.387
343 HB3 GLU 40 1HB GLU 40 -6.482 -3.423 7.939
344 HG2 GLU 40 2HG GLU 40 -5.955 -1.252 9.010
345 HG3 GLU 40 1HG GLU 40 -6.140 -0.447 7.450
346 H GLU 41 H GLU 41 -4.255 -4.655 8.715
347 HA GLU 41 HA GLU 41 -3.407 -3.355 11.050
348 HB2 GLU 41 2HB GLU 41 -2.666 -5.644 11.776
349 HB3 GLU 41 1HB GLU 41 -4.294 -5.613 11.104
350 HG2 GLU 41 2HG GLU 41 -3.368 -6.446 8.923
351 HG3 GLU 41 1HG GLU 41 -1.783 -6.574 9.680
352 H ASN 42 H ASN 42 -1.548 -4.495 8.264
353 HA ASN 42 HA ASN 42 1.071 -4.088 9.384
354 HB2 ASN 42 2HB ASN 42 0.132 -4.372 6.492
355 HB3 ASN 42 1HB ASN 42 1.828 -4.231 6.949
356 HD21 ASN 42 1HD2 ASN 42 2.174 -6.259 5.949
357 HD22 ASN 42 2HD2 ASN 42 1.731 -7.735 6.733
358 H ILE 43 H ILE 43 -1.249 -2.141 7.618
359 HA ILE 43 HA ILE 43 0.618 0.068 7.185
360 HB ILE 43 HB ILE 43 -2.320 -0.118 6.361
361 HG12 ILE 43 2HG1 ILE 43 -1.086 -1.983 5.310
362 HG13 ILE 43 1HG1 ILE 43 -1.462 -0.771 4.092
363 HG21 ILE 43 1HG2 ILE 43 -1.723 1.643 4.726
364 HG22 ILE 43 2HG2 ILE 43 -0.077 1.692 5.364
365 HG23 ILE 43 3HG2 ILE 43 -1.435 2.182 6.381
366 HD11 ILE 43 3HD1 ILE 43 0.774 -1.667 3.795
367 HD12 ILE 43 1HD1 ILE 43 1.225 -1.165 5.422
368 HD13 ILE 43 2HD1 ILE 43 0.851 0.048 4.194
369 H LEU 44 H LEU 44 0.887 0.316 9.447
370 HA LEU 44 HA LEU 44 -1.218 1.501 11.083
371 HG LEU 44 HG LEU 44 0.814 0.429 14.079
372 HB2 LEU 44 2HB LEU 44 0.921 -0.138 11.681
373 HB3 LEU 44 1HB LEU 44 1.641 1.412 12.032
374 HD11 LEU 44 1HD1 LEU 44 -0.652 2.152 14.956
375 HD12 LEU 44 2HD1 LEU 44 -1.050 2.685 13.318
376 HD13 LEU 44 3HD1 LEU 44 0.597 2.861 13.930
377 HD21 LEU 44 3HD2 LEU 44 -1.921 0.263 12.785
378 HD22 LEU 44 1HD2 LEU 44 -1.523 -0.174 14.449
379 HD23 LEU 44 2HD2 LEU 44 -0.841 -1.094 13.111
380 H ASP 45 H ASP 45 1.534 2.393 9.153
381 HA ASP 45 HA ASP 45 2.176 4.925 10.220
382 HB2 ASP 45 2HB ASP 45 3.769 3.624 8.892
383 HB3 ASP 45 1HB ASP 45 2.725 3.710 7.480
384 HA PRO 46 HA PRO 46 -1.409 7.119 8.621
385 HB2 PRO 46 2HB PRO 46 -0.817 9.643 9.429
386 HB3 PRO 46 1HB PRO 46 -1.225 8.363 10.587
387 HG2 PRO 46 2HG PRO 46 1.513 9.342 9.741
388 HG3 PRO 46 1HG PRO 46 0.891 9.075 11.384
389 HD2 PRO 46 2HD PRO 46 2.436 7.235 10.113
390 HD3 PRO 46 1HD PRO 46 1.140 6.753 11.236
391 H ARG 47 H ARG 47 1.837 7.814 7.505
392 HA ARG 47 HA ARG 47 1.185 9.899 5.623
393 HE ARG 47 HE ARG 47 5.459 10.128 8.985
394 HB2 ARG 47 2HB ARG 47 3.639 8.085 5.604
395 HB3 ARG 47 1HB ARG 47 3.466 9.651 4.804
396 HG2 ARG 47 2HG ARG 47 3.330 10.766 7.006
397 HG3 ARG 47 1HG ARG 47 3.463 9.200 7.815
398 HD2 ARG 47 2HD ARG 47 5.709 8.894 6.800
399 HD3 ARG 47 1HD ARG 47 5.575 10.492 6.048
400 HH11 ARG 47 1HH1 ARG 47 6.902 11.731 6.223
401 HH12 ARG 47 2HH1 ARG 47 7.858 12.788 7.205
402 HH21 ARG 47 1HH2 ARG 47 6.734 11.473 10.236
403 HH22 ARG 47 2HH2 ARG 47 7.762 12.644 9.478
404 H LEU 48 H LEU 48 1.479 6.393 5.517
405 HA LEU 48 HA LEU 48 0.983 6.007 2.723
406 HG LEU 48 HG LEU 48 2.588 4.614 5.372
407 HB2 LEU 48 2HB LEU 48 0.239 4.074 4.962
408 HB3 LEU 48 1HB LEU 48 0.583 3.682 3.279
409 HD11 LEU 48 1HD1 LEU 48 3.562 2.375 5.174
410 HD12 LEU 48 2HD1 LEU 48 2.277 1.900 4.058
411 HD13 LEU 48 3HD1 LEU 48 1.890 2.318 5.730
412 HD21 LEU 48 3HD2 LEU 48 4.341 4.220 3.674
413 HD22 LEU 48 1HD2 LEU 48 3.248 5.525 3.219
414 HD23 LEU 48 2HD2 LEU 48 3.097 3.942 2.452
415 H LEU 49 H LEU 49 -1.011 6.131 5.625
416 HA LEU 49 HA LEU 49 -3.533 5.540 4.487
417 HG LEU 49 HG LEU 49 -2.011 4.569 6.982
418 HB2 LEU 49 2HB LEU 49 -2.823 6.949 7.072
419 HB3 LEU 49 1HB LEU 49 -4.442 6.393 6.660
420 HD11 LEU 49 1HD1 LEU 49 -3.040 3.820 9.083
421 HD12 LEU 49 2HD1 LEU 49 -4.305 5.041 8.907
422 HD13 LEU 49 3HD1 LEU 49 -2.624 5.534 9.132
423 HD21 LEU 49 3HD2 LEU 49 -3.624 2.713 6.895
424 HD22 LEU 49 1HD2 LEU 49 -3.659 3.656 5.406
425 HD23 LEU 49 2HD2 LEU 49 -4.942 3.849 6.602
426 H ILE 50 H ILE 50 -1.731 8.548 4.556
427 HA ILE 50 HA ILE 50 -3.772 10.379 3.937
428 HB ILE 50 HB ILE 50 -0.917 10.279 2.851
429 HG12 ILE 50 2HG1 ILE 50 -2.119 11.890 5.153
430 HG13 ILE 50 1HG1 ILE 50 -1.077 10.485 5.330
431 HG21 ILE 50 1HG2 ILE 50 -1.172 12.681 2.276
432 HG22 ILE 50 2HG2 ILE 50 -2.877 12.608 2.720
433 HG23 ILE 50 3HG2 ILE 50 -2.284 11.672 1.348
434 HD11 ILE 50 3HD1 ILE 50 0.128 12.539 5.748
435 HD12 ILE 50 1HD1 ILE 50 -0.285 13.146 4.145
436 HD13 ILE 50 2HD1 ILE 50 0.770 11.738 4.314
437 H ALA 51 H ALA 51 -1.952 8.164 1.808
438 HA ALA 51 HA ALA 51 -3.267 8.827 -0.627
439 HB1 ALA 51 1HB ALA 51 -2.243 6.791 -1.533
440 HB2 ALA 51 2HB ALA 51 -1.802 6.281 0.102
441 HB3 ALA 51 3HB ALA 51 -1.083 7.733 -0.595
442 H PHE 52 H PHE 52 -4.038 6.544 1.946
443 HA PHE 52 HA PHE 52 -6.193 5.159 0.756
444 HD1 PHE 52 2HD PHE 52 -7.476 2.975 2.474
445 HD2 PHE 52 1HD PHE 52 -7.662 6.681 4.594
446 HE1 PHE 52 2HE PHE 52 -9.681 2.376 3.363
447 HE2 PHE 52 1HE PHE 52 -9.877 6.071 5.463
448 HZ PHE 52 HZ PHE 52 -10.887 3.913 4.846
449 HB2 PHE 52 2HB PHE 52 -5.426 4.364 2.883
450 HB3 PHE 52 1HB PHE 52 -5.570 5.944 3.629
451 H GLN 53 H GLN 53 -6.093 8.242 2.587
452 HA GLN 53 HA GLN 53 -8.854 8.872 2.378
453 HB2 GLN 53 2HB GLN 53 -6.454 10.665 2.915
454 HB3 GLN 53 1HB GLN 53 -8.123 11.220 3.017
455 HG2 GLN 53 2HG GLN 53 -6.863 9.043 4.721
456 HG3 GLN 53 1HG GLN 53 -7.202 10.695 5.237
457 HE21 GLN 53 1HE2 GLN 53 -8.183 8.173 6.373
458 HE22 GLN 53 2HE2 GLN 53 -9.907 8.237 6.300
459 H ASN 54 H ASN 54 -6.080 9.634 0.312
460 HA ASN 54 HA ASN 54 -7.353 11.330 -1.556
461 HB2 ASN 54 2HB ASN 54 -5.035 9.378 -1.921
462 HB3 ASN 54 1HB ASN 54 -5.572 10.473 -3.192
463 HD21 ASN 54 1HD2 ASN 54 -3.552 11.510 -3.239
464 HD22 ASN 54 2HD2 ASN 54 -3.023 12.561 -1.976
465 H ARG 55 H ARG 55 -6.984 7.794 -1.398
466 HA ARG 55 HA ARG 55 -8.228 7.145 -3.854
467 HE ARG 55 HE ARG 55 -8.618 2.541 -5.106
468 HB2 ARG 55 2HB ARG 55 -6.713 5.687 -2.198
469 HB3 ARG 55 1HB ARG 55 -8.259 5.197 -1.530
470 HG2 ARG 55 2HG ARG 55 -7.316 4.797 -4.393
471 HG3 ARG 55 1HG ARG 55 -7.448 3.554 -3.152
472 HD2 ARG 55 2HD ARG 55 -9.915 3.894 -3.130
473 HD3 ARG 55 1HD ARG 55 -9.746 5.085 -4.420
474 HH11 ARG 55 1HH1 ARG 55 -11.560 4.438 -5.115
475 HH12 ARG 55 2HH1 ARG 55 -12.372 3.394 -6.232
476 HH21 ARG 55 1HH2 ARG 55 -9.665 1.213 -6.609
477 HH22 ARG 55 2HH2 ARG 55 -11.289 1.583 -7.107
478 H GLU 56 H GLU 56 -9.489 7.602 -0.571
479 HA GLU 56 HA GLU 56 -12.076 6.552 -0.916
480 HB2 GLU 56 2HB GLU 56 -11.092 8.775 0.918
481 HB3 GLU 56 1HB GLU 56 -12.704 8.069 1.029
482 HG2 GLU 56 2HG GLU 56 -10.054 6.680 1.517
483 HG3 GLU 56 1HG GLU 56 -11.272 7.090 2.718
484 H ARG 57 H ARG 57 -10.689 9.477 -2.154
485 HA ARG 57 HA ARG 57 -13.334 10.586 -2.877
486 HE ARG 57 HE ARG 57 -13.362 15.916 -2.611
487 HB2 ARG 57 2HB ARG 57 -11.692 11.969 -1.486
488 HB3 ARG 57 1HB ARG 57 -10.644 12.017 -2.903
489 HG2 ARG 57 2HG ARG 57 -12.472 13.163 -4.170
490 HG3 ARG 57 1HG ARG 57 -13.460 13.156 -2.705
491 HD2 ARG 57 2HD ARG 57 -11.747 14.547 -1.564
492 HD3 ARG 57 1HD ARG 57 -10.778 14.556 -3.043
493 HH11 ARG 57 1HH1 ARG 57 -10.592 15.370 -4.719
494 HH12 ARG 57 2HH1 ARG 57 -10.916 16.766 -5.697
495 HH21 ARG 57 1HH2 ARG 57 -13.756 17.745 -3.891
496 HH22 ARG 57 2HH2 ARG 57 -12.711 18.097 -5.229
497 H GLN 58 H GLN 58 -10.765 8.819 -4.237
498 HA GLN 58 HA GLN 58 -11.499 9.647 -6.996
499 HB2 GLN 58 2HB GLN 58 -9.190 9.608 -7.729
500 HB3 GLN 58 1HB GLN 58 -9.282 10.661 -6.318
501 HG2 GLN 58 2HG GLN 58 -8.424 8.787 -4.915
502 HG3 GLN 58 1HG GLN 58 -8.265 7.801 -6.358
503 HE21 GLN 58 1HE2 GLN 58 -6.033 7.539 -6.135
504 HE22 GLN 58 2HE2 GLN 58 -4.908 8.834 -6.359
505 H GLU 59 H GLU 59 -10.286 7.960 -8.561
506 HA GLU 59 HA GLU 59 -11.136 5.232 -7.876
507 HB2 GLU 59 2HB GLU 59 -11.808 6.360 -10.034
508 HB3 GLU 59 1HB GLU 59 -10.122 6.473 -10.491
509 HG2 GLU 59 2HG GLU 59 -11.363 4.675 -11.673
510 HG3 GLU 59 1HG GLU 59 -9.955 4.096 -10.774
511 H GLN 60 H GLN 60 -9.366 3.602 -9.121
512 HA GLN 60 HA GLN 60 -7.338 2.667 -9.350
513 HB2 GLN 60 2HB GLN 60 -6.193 5.310 -8.348
514 HB3 GLN 60 1HB GLN 60 -5.192 3.932 -8.796
515 HG2 GLN 60 2HG GLN 60 -7.036 5.511 -10.622
516 HG3 GLN 60 1HG GLN 60 -5.278 5.583 -10.600
517 HE21 GLN 60 1HE2 GLN 60 -4.096 3.731 -11.318
518 HE22 GLN 60 2HE2 GLN 60 -4.801 2.625 -12.437
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 27.580 -4.956 -3.316
2 H2 GLY 1 2HT GLY 1 28.243 -4.698 -4.850
3 H3 GLY 1 3HT GLY 1 28.360 -6.222 -4.128
4 HA2 GLY 1 1HA GLY 1 26.667 -6.242 -5.826
5 HA3 GLY 1 2HA GLY 1 25.984 -6.503 -4.225
6 H SER 2 H SER 2 23.994 -5.608 -4.319
7 HA SER 2 HA SER 2 23.753 -2.716 -4.719
8 HG SER 2 HG SER 2 22.701 -5.695 -6.361
9 HB2 SER 2 2HB SER 2 21.713 -3.041 -6.196
10 HB3 SER 2 1HB SER 2 23.221 -3.555 -6.950
11 H GLU 3 H GLU 3 22.330 -1.830 -3.310
12 HA GLU 3 HA GLU 3 21.237 -3.433 -1.180
13 HB2 GLU 3 2HB GLU 3 20.446 -1.196 -0.271
14 HB3 GLU 3 1HB GLU 3 22.179 -1.325 -0.553
15 HG2 GLU 3 2HG GLU 3 21.990 -0.032 -2.615
16 HG3 GLU 3 1HG GLU 3 20.235 0.024 -2.452
17 H HIS 4 H HIS 4 19.335 -4.421 -1.221
18 HA HIS 4 HA HIS 4 17.178 -3.510 -3.031
19 HD1 HIS 4 1HD HIS 4 17.513 -5.198 -5.199
20 HD2 HIS 4 2HD HIS 4 19.679 -7.396 -2.410
21 HE1 HIS 4 1HE HIS 4 19.406 -6.231 -6.479
22 HE2 HIS 4 2HE HIS 4 20.808 -7.368 -4.741
23 HB2 HIS 4 2HB HIS 4 17.399 -6.161 -1.529
24 HB3 HIS 4 1HB HIS 4 16.268 -5.765 -2.819
25 H VAL 5 H VAL 5 16.304 -1.820 -1.847
26 HA VAL 5 HA VAL 5 15.702 -2.088 0.996
27 HB VAL 5 HB VAL 5 15.253 0.270 -0.892
28 HG11 VAL 5 1HG1 VAL 5 14.910 1.624 1.174
29 HG12 VAL 5 2HG1 VAL 5 15.019 0.159 2.151
30 HG13 VAL 5 3HG1 VAL 5 13.682 0.364 1.017
31 HG21 VAL 5 3HG2 VAL 5 17.462 -0.195 1.161
32 HG22 VAL 5 1HG2 VAL 5 17.250 1.267 0.193
33 HG23 VAL 5 2HG2 VAL 5 17.655 -0.261 -0.592
34 H PHE 6 H PHE 6 13.891 -3.112 1.555
35 HA PHE 6 HA PHE 6 11.377 -2.684 0.059
36 HD1 PHE 6 2HD PHE 6 10.288 -5.137 -1.118
37 HD2 PHE 6 1HD PHE 6 13.997 -5.807 0.912
38 HE1 PHE 6 2HE PHE 6 11.095 -6.485 -3.012
39 HE2 PHE 6 1HE PHE 6 14.789 -7.155 -0.989
40 HZ PHE 6 HZ PHE 6 13.340 -7.492 -2.948
41 HB2 PHE 6 2HB PHE 6 12.099 -4.844 2.096
42 HB3 PHE 6 1HB PHE 6 10.534 -4.676 1.303
43 H ALA 7 H ALA 7 10.670 -0.792 0.861
44 HA ALA 7 HA ALA 7 9.501 -0.834 3.537
45 HB1 ALA 7 1HB ALA 7 11.224 1.493 2.558
46 HB2 ALA 7 2HB ALA 7 11.628 0.379 3.865
47 HB3 ALA 7 3HB ALA 7 10.259 1.474 4.040
48 H VAL 8 H VAL 8 7.462 0.017 3.481
49 HA VAL 8 HA VAL 8 6.302 0.521 0.917
50 HB VAL 8 HB VAL 8 4.998 0.900 3.647
51 HG11 VAL 8 1HG1 VAL 8 2.848 0.614 2.414
52 HG12 VAL 8 2HG1 VAL 8 3.733 0.543 0.888
53 HG13 VAL 8 3HG1 VAL 8 3.738 2.028 1.841
54 HG21 VAL 8 3HG2 VAL 8 5.843 -1.398 3.429
55 HG22 VAL 8 1HG2 VAL 8 5.030 -1.573 1.870
56 HG23 VAL 8 2HG2 VAL 8 4.080 -1.385 3.347
57 H GLU 9 H GLU 9 5.852 2.372 -0.032
58 HA GLU 9 HA GLU 9 6.872 4.875 1.123
59 HB2 GLU 9 2HB GLU 9 7.867 3.992 -1.032
60 HB3 GLU 9 1HB GLU 9 6.304 4.206 -1.800
61 HG2 GLU 9 2HG GLU 9 7.700 6.055 -2.418
62 HG3 GLU 9 1HG GLU 9 6.458 6.665 -1.328
63 H SER 10 H SER 10 4.078 3.383 -0.420
64 HA SER 10 HA SER 10 2.208 5.346 0.491
65 HG SER 10 HG SER 10 0.853 5.819 -2.625
66 HB2 SER 10 2HB SER 10 3.194 6.599 -1.407
67 HB3 SER 10 1HB SER 10 2.879 5.242 -2.487
68 H ILE 11 H ILE 11 -0.009 4.821 -0.217
69 HA ILE 11 HA ILE 11 -0.438 1.982 -0.893
70 HB ILE 11 HB ILE 11 -2.352 4.138 0.113
71 HG12 ILE 11 2HG1 ILE 11 -1.359 1.568 1.427
72 HG13 ILE 11 1HG1 ILE 11 -0.769 3.187 1.802
73 HG21 ILE 11 1HG2 ILE 11 -4.105 2.384 0.227
74 HG22 ILE 11 2HG2 ILE 11 -3.023 1.236 -0.562
75 HG23 ILE 11 3HG2 ILE 11 -3.590 2.661 -1.438
76 HD11 ILE 11 3HD1 ILE 11 -2.321 2.408 3.478
77 HD12 ILE 11 1HD1 ILE 11 -3.571 2.163 2.264
78 HD13 ILE 11 2HD1 ILE 11 -2.997 3.794 2.630
79 H GLU 12 H GLU 12 -0.595 1.537 -2.953
80 HA GLU 12 HA GLU 12 -1.144 3.388 -5.061
81 HB2 GLU 12 2HB GLU 12 -0.930 0.339 -5.110
82 HB3 GLU 12 1HB GLU 12 -0.956 1.377 -6.536
83 HG2 GLU 12 2HG GLU 12 1.193 1.446 -4.387
84 HG3 GLU 12 1HG GLU 12 1.317 0.560 -5.906
85 H LYS 13 H LYS 13 -2.900 0.660 -3.545
86 HA LYS 13 HA LYS 13 -5.394 1.491 -4.892
87 HB2 LYS 13 2HB LYS 13 -4.006 -0.390 -6.103
88 HB3 LYS 13 1HB LYS 13 -4.584 -1.429 -4.811
89 HG2 LYS 13 2HG LYS 13 -6.927 -0.887 -5.454
90 HG3 LYS 13 1HG LYS 13 -6.312 0.089 -6.794
91 HD2 LYS 13 2HD LYS 13 -6.009 -2.920 -6.422
92 HD3 LYS 13 1HD LYS 13 -6.983 -2.093 -7.636
93 HE2 LYS 13 2HE LYS 13 -3.948 -2.094 -7.463
94 HE3 LYS 13 1HE LYS 13 -4.931 -2.968 -8.634
95 HZ1 LYS 13 3HZ LYS 13 -4.024 -0.965 -9.583
96 HZ2 LYS 13 1HZ LYS 13 -4.746 -0.016 -8.385
97 HZ3 LYS 13 2HZ LYS 13 -5.707 -0.842 -9.501
98 H LYS 14 H LYS 14 -7.268 0.828 -3.904
99 HA LYS 14 HA LYS 14 -7.136 -0.205 -1.130
100 HB2 LYS 14 2HB LYS 14 -7.713 2.091 -0.846
101 HB3 LYS 14 1HB LYS 14 -8.679 2.136 -2.309
102 HG2 LYS 14 2HG LYS 14 -10.123 2.334 -0.359
103 HG3 LYS 14 1HG LYS 14 -10.452 0.818 -1.199
104 HD2 LYS 14 2HD LYS 14 -8.995 -0.351 0.520
105 HD3 LYS 14 1HD LYS 14 -8.895 1.184 1.390
106 HE2 LYS 14 2HE LYS 14 -11.427 -0.405 0.827
107 HE3 LYS 14 1HE LYS 14 -10.614 -0.246 2.381
108 HZ1 LYS 14 3HZ LYS 14 -11.806 2.008 0.875
109 HZ2 LYS 14 1HZ LYS 14 -11.141 2.079 2.423
110 HZ3 LYS 14 2HZ LYS 14 -12.565 1.209 2.153
111 H ARG 15 H ARG 15 -8.476 -1.907 -0.708
112 HA ARG 15 HA ARG 15 -10.929 -2.362 -2.163
113 HE ARG 15 HE ARG 15 -9.204 -6.788 -2.391
114 HB2 ARG 15 2HB ARG 15 -10.270 -4.800 -2.727
115 HB3 ARG 15 1HB ARG 15 -9.619 -3.533 -3.751
116 HG2 ARG 15 2HG ARG 15 -7.823 -5.030 -3.414
117 HG3 ARG 15 1HG ARG 15 -7.474 -3.653 -2.375
118 HD2 ARG 15 2HD ARG 15 -6.922 -5.680 -1.196
119 HD3 ARG 15 1HD ARG 15 -8.351 -4.981 -0.428
120 HH11 ARG 15 1HH1 ARG 15 -7.699 -6.892 0.769
121 HH12 ARG 15 2HH1 ARG 15 -8.131 -8.543 1.049
122 HH21 ARG 15 1HH2 ARG 15 -9.776 -8.922 -2.013
123 HH22 ARG 15 2HH2 ARG 15 -9.323 -9.686 -0.527
124 H ILE 16 H ILE 16 -12.236 -4.024 -1.272
125 HA ILE 16 HA ILE 16 -11.497 -5.147 1.358
126 HB ILE 16 HB ILE 16 -14.131 -3.730 0.698
127 HG12 ILE 16 2HG1 ILE 16 -12.172 -3.220 2.957
128 HG13 ILE 16 1HG1 ILE 16 -12.195 -2.289 1.464
129 HG21 ILE 16 1HG2 ILE 16 -14.644 -5.816 1.910
130 HG22 ILE 16 2HG2 ILE 16 -14.943 -4.421 2.943
131 HG23 ILE 16 3HG2 ILE 16 -13.485 -5.391 3.175
132 HD11 ILE 16 3HD1 ILE 16 -14.449 -1.486 2.011
133 HD12 ILE 16 1HD1 ILE 16 -13.276 -1.090 3.266
134 HD13 ILE 16 2HD1 ILE 16 -14.413 -2.414 3.513
135 H ARG 17 H ARG 17 -12.128 -7.227 1.594
136 HA ARG 17 HA ARG 17 -14.314 -8.372 0.114
137 HE ARG 17 HE ARG 17 -12.921 -9.649 -3.410
138 HB2 ARG 17 2HB ARG 17 -12.523 -8.648 -1.552
139 HB3 ARG 17 1HB ARG 17 -11.474 -9.387 -0.350
140 HG2 ARG 17 2HG ARG 17 -12.937 -11.346 -0.221
141 HG3 ARG 17 1HG ARG 17 -14.080 -10.601 -1.346
142 HD2 ARG 17 2HD ARG 17 -11.200 -11.353 -2.003
143 HD3 ARG 17 1HD ARG 17 -12.634 -12.285 -2.451
144 HH11 ARG 17 1HH1 ARG 17 -11.004 -12.515 -4.109
145 HH12 ARG 17 2HH1 ARG 17 -10.771 -12.087 -5.770
146 HH21 ARG 17 1HH2 ARG 17 -12.593 -9.124 -5.596
147 HH22 ARG 17 2HH2 ARG 17 -11.671 -10.182 -6.611
148 H LYS 18 H LYS 18 -15.330 -9.787 1.379
149 HA LYS 18 HA LYS 18 -15.926 -11.116 3.102
150 HB2 LYS 18 2HB LYS 18 -12.997 -11.973 3.038
151 HB3 LYS 18 1HB LYS 18 -14.273 -12.819 3.908
152 HG2 LYS 18 2HG LYS 18 -14.049 -12.490 0.894
153 HG3 LYS 18 1HG LYS 18 -13.766 -13.968 1.825
154 HD2 LYS 18 2HD LYS 18 -16.167 -13.915 2.551
155 HD3 LYS 18 1HD LYS 18 -16.417 -12.502 1.518
156 HE2 LYS 18 2HE LYS 18 -17.196 -14.512 0.391
157 HE3 LYS 18 1HE LYS 18 -15.789 -13.874 -0.460
158 HZ1 LYS 18 3HZ LYS 18 -14.414 -15.534 0.596
159 HZ2 LYS 18 1HZ LYS 18 -15.709 -16.291 -0.179
160 HZ3 LYS 18 2HZ LYS 18 -15.720 -16.112 1.500
161 H GLY 19 H GLY 19 -15.182 -8.393 3.681
162 HA2 GLY 19 2HA GLY 19 -14.974 -7.017 5.518
163 HA3 GLY 19 1HA GLY 19 -14.998 -8.454 6.527
164 H ARG 20 H ARG 20 -12.641 -8.127 3.982
165 HA ARG 20 HA ARG 20 -10.474 -7.552 5.932
166 HE ARG 20 HE ARG 20 -11.513 -11.692 7.607
167 HB2 ARG 20 2HB ARG 20 -10.229 -9.296 3.435
168 HB3 ARG 20 1HB ARG 20 -8.973 -8.972 4.633
169 HG2 ARG 20 2HG ARG 20 -11.536 -10.549 5.106
170 HG3 ARG 20 1HG ARG 20 -9.923 -11.232 4.864
171 HD2 ARG 20 2HD ARG 20 -9.152 -10.062 6.926
172 HD3 ARG 20 1HD ARG 20 -10.802 -9.478 7.184
173 HH11 ARG 20 1HH1 ARG 20 -8.013 -11.453 7.286
174 HH12 ARG 20 2HH1 ARG 20 -7.728 -12.999 8.012
175 HH21 ARG 20 1HH2 ARG 20 -11.116 -13.743 8.490
176 HH22 ARG 20 2HH2 ARG 20 -9.488 -14.308 8.680
177 H VAL 21 H VAL 21 -9.786 -5.545 5.551
178 HA VAL 21 HA VAL 21 -9.643 -4.510 2.797
179 HB VAL 21 HB VAL 21 -10.713 -2.943 4.270
180 HG11 VAL 21 1HG1 VAL 21 -8.279 -3.047 6.076
181 HG12 VAL 21 2HG1 VAL 21 -9.868 -3.713 6.438
182 HG13 VAL 21 3HG1 VAL 21 -9.664 -1.969 6.275
183 HG21 VAL 21 3HG2 VAL 21 -9.279 -0.950 3.979
184 HG22 VAL 21 1HG2 VAL 21 -9.231 -1.986 2.552
185 HG23 VAL 21 2HG2 VAL 21 -7.881 -1.988 3.691
186 H GLU 22 H GLU 22 -7.763 -4.132 1.784
187 HA GLU 22 HA GLU 22 -5.190 -4.537 3.110
188 HB2 GLU 22 2HB GLU 22 -5.944 -6.816 2.576
189 HB3 GLU 22 1HB GLU 22 -6.244 -6.368 0.905
190 HG2 GLU 22 2HG GLU 22 -3.929 -6.204 0.419
191 HG3 GLU 22 1HG GLU 22 -3.499 -6.211 2.129
192 H TYR 23 H TYR 23 -3.430 -3.786 1.809
193 HA TYR 23 HA TYR 23 -4.289 -1.800 -0.223
194 HD1 TYR 23 1HD TYR 23 -5.452 0.045 0.697
195 HD2 TYR 23 2HD TYR 23 -3.138 -1.049 4.126
196 HE1 TYR 23 1HE TYR 23 -7.218 0.909 2.180
197 HE2 TYR 23 2HE TYR 23 -4.912 -0.194 5.598
198 HH TYR 23 HH TYR 23 -6.737 1.375 5.545
199 HB2 TYR 23 2HB TYR 23 -2.224 -1.439 1.998
200 HB3 TYR 23 1HB TYR 23 -2.682 -0.229 0.802
201 H LEU 24 H LEU 24 -3.072 -1.637 -2.015
202 HA LEU 24 HA LEU 24 -0.896 -3.475 -2.520
203 HG LEU 24 HG LEU 24 0.210 -2.143 -5.110
204 HB2 LEU 24 2HB LEU 24 -2.636 -2.788 -4.229
205 HB3 LEU 24 1HB LEU 24 -1.917 -1.186 -4.248
206 HD11 LEU 24 1HD1 LEU 24 -1.268 -4.789 -5.205
207 HD12 LEU 24 2HD1 LEU 24 0.068 -4.380 -4.127
208 HD13 LEU 24 3HD1 LEU 24 0.340 -4.463 -5.863
209 HD21 LEU 24 3HD2 LEU 24 -0.563 -2.657 -7.370
210 HD22 LEU 24 1HD2 LEU 24 -1.477 -1.310 -6.690
211 HD23 LEU 24 2HD2 LEU 24 -2.204 -2.920 -6.772
212 H VAL 25 H VAL 25 1.028 -3.024 -1.660
213 HA VAL 25 HA VAL 25 1.689 -0.354 -0.757
214 HB VAL 25 HB VAL 25 3.468 -1.447 0.536
215 HG11 VAL 25 1HG1 VAL 25 2.025 -2.785 2.010
216 HG12 VAL 25 2HG1 VAL 25 0.797 -2.890 0.746
217 HG13 VAL 25 3HG1 VAL 25 1.197 -1.325 1.466
218 HG21 VAL 25 3HG2 VAL 25 4.125 -3.248 -1.026
219 HG22 VAL 25 1HG2 VAL 25 2.590 -4.069 -0.748
220 HG23 VAL 25 2HG2 VAL 25 3.754 -3.904 0.567
221 H LYS 26 H LYS 26 2.976 0.963 -1.745
222 HA LYS 26 HA LYS 26 4.455 0.280 -4.129
223 HB2 LYS 26 2HB LYS 26 3.138 2.414 -3.817
224 HB3 LYS 26 1HB LYS 26 4.289 2.911 -2.584
225 HG2 LYS 26 2HG LYS 26 4.698 4.005 -4.746
226 HG3 LYS 26 1HG LYS 26 6.078 3.030 -4.230
227 HD2 LYS 26 2HD LYS 26 5.740 1.412 -5.895
228 HD3 LYS 26 1HD LYS 26 4.025 1.787 -6.076
229 HE2 LYS 26 2HE LYS 26 6.288 3.596 -6.986
230 HE3 LYS 26 1HE LYS 26 5.386 2.492 -8.027
231 HZ1 LYS 26 3HZ LYS 26 4.244 4.777 -6.511
232 HZ2 LYS 26 1HZ LYS 26 3.357 3.714 -7.488
233 HZ3 LYS 26 2HZ LYS 26 4.521 4.732 -8.176
234 H TRP 27 H TRP 27 6.184 -1.057 -3.462
235 HA TRP 27 HA TRP 27 7.942 -0.467 -1.307
236 HD1 TRP 27 HD TRP 27 6.596 -4.110 -3.640
237 HE1 TRP 27 1HE TRP 27 5.594 -5.577 -1.801
238 HE3 TRP 27 3HE TRP 27 8.777 -1.947 0.439
239 HZ2 TRP 27 2HZ TRP 27 5.679 -5.806 0.988
240 HZ3 TRP 27 3HZ TRP 27 8.248 -2.840 2.669
241 HH2 TRP 27 HH TRP 27 6.729 -4.738 2.942
242 HB2 TRP 27 2HB TRP 27 8.364 -2.241 -3.754
243 HB3 TRP 27 1HB TRP 27 9.445 -2.188 -2.364
244 H ARG 28 H ARG 28 9.400 1.119 -1.192
245 HA ARG 28 HA ARG 28 9.881 2.896 -3.353
246 HE ARG 28 HE ARG 28 10.156 4.950 0.595
247 HB2 ARG 28 2HB ARG 28 11.379 4.110 -1.798
248 HB3 ARG 28 1HB ARG 28 9.815 3.753 -1.081
249 HG2 ARG 28 2HG ARG 28 10.785 1.950 0.256
250 HG3 ARG 28 1HG ARG 28 12.348 2.162 -0.540
251 HD2 ARG 28 2HD ARG 28 12.274 3.199 1.717
252 HD3 ARG 28 1HD ARG 28 12.600 4.380 0.445
253 HH11 ARG 28 1HH1 ARG 28 11.792 3.639 3.384
254 HH12 ARG 28 2HH1 ARG 28 10.729 4.403 4.513
255 HH21 ARG 28 1HH2 ARG 28 8.791 5.992 2.083
256 HH22 ARG 28 2HH2 ARG 28 9.045 5.744 3.779
257 H GLY 29 H GLY 29 11.661 3.224 -4.619
258 HA2 GLY 29 2HA GLY 29 13.757 2.819 -5.582
259 HA3 GLY 29 1HA GLY 29 14.011 1.474 -4.481
260 H TRP 30 H TRP 30 11.055 0.789 -5.449
261 HA TRP 30 HA TRP 30 11.879 -0.791 -7.810
262 HD1 TRP 30 HD TRP 30 11.085 -1.616 -3.510
263 HE1 TRP 30 1HE TRP 30 13.121 -2.970 -2.743
264 HE3 TRP 30 3HE TRP 30 12.549 -3.558 -8.025
265 HZ2 TRP 30 2HZ TRP 30 15.095 -4.620 -3.860
266 HZ3 TRP 30 3HZ TRP 30 14.538 -5.014 -8.080
267 HH2 TRP 30 HH TRP 30 15.787 -5.536 -6.038
268 HB2 TRP 30 2HB TRP 30 9.702 -1.459 -5.767
269 HB3 TRP 30 1HB TRP 30 10.236 -2.477 -7.108
270 H SER 31 H SER 31 10.217 -1.199 -9.420
271 HA SER 31 HA SER 31 8.697 1.165 -10.106
272 HG SER 31 HG SER 31 9.100 -2.172 -12.444
273 HB2 SER 31 2HB SER 31 8.197 -0.161 -12.200
274 HB3 SER 31 1HB SER 31 9.919 -0.031 -11.856
275 HA PRO 32 HA PRO 32 4.608 -0.071 -8.642
276 HB2 PRO 32 2HB PRO 32 3.375 0.616 -11.281
277 HB3 PRO 32 1HB PRO 32 3.085 1.313 -9.682
278 HG2 PRO 32 2HG PRO 32 4.453 2.666 -11.563
279 HG3 PRO 32 1HG PRO 32 4.884 2.783 -9.845
280 HD2 PRO 32 2HD PRO 32 6.216 1.179 -12.027
281 HD3 PRO 32 1HD PRO 32 6.944 2.146 -10.721
282 H LYS 33 H LYS 33 6.114 -2.003 -10.915
283 HA LYS 33 HA LYS 33 3.874 -3.916 -11.087
284 HB2 LYS 33 2HB LYS 33 5.070 -5.079 -12.766
285 HB3 LYS 33 1HB LYS 33 5.310 -3.375 -13.124
286 HG2 LYS 33 2HG LYS 33 7.568 -3.573 -11.967
287 HG3 LYS 33 1HG LYS 33 7.300 -5.318 -11.924
288 HD2 LYS 33 2HD LYS 33 7.593 -3.540 -14.374
289 HD3 LYS 33 1HD LYS 33 8.674 -4.829 -13.846
290 HE2 LYS 33 2HE LYS 33 5.843 -5.180 -14.921
291 HE3 LYS 33 1HE LYS 33 7.336 -5.544 -15.781
292 HZ1 LYS 33 3HZ LYS 33 7.816 -7.256 -14.147
293 HZ2 LYS 33 1HZ LYS 33 6.328 -7.540 -14.894
294 HZ3 LYS 33 2HZ LYS 33 6.382 -6.914 -13.322
295 H TYR 34 H TYR 34 6.865 -3.354 -9.391
296 HA TYR 34 HA TYR 34 6.936 -6.074 -8.234
297 HD1 TYR 34 1HD TYR 34 8.601 -7.357 -9.113
298 HD2 TYR 34 2HD TYR 34 10.313 -3.517 -9.890
299 HE1 TYR 34 1HE TYR 34 9.689 -8.254 -11.121
300 HE2 TYR 34 2HE TYR 34 11.394 -4.410 -11.907
301 HH TYR 34 HH TYR 34 10.590 -7.448 -13.250
302 HB2 TYR 34 2HB TYR 34 8.928 -3.770 -8.007
303 HB3 TYR 34 1HB TYR 34 9.130 -5.347 -7.246
304 H ASN 35 H ASN 35 4.770 -4.446 -7.585
305 HA ASN 35 HA ASN 35 5.114 -3.904 -4.705
306 HB2 ASN 35 2HB ASN 35 3.212 -2.345 -4.920
307 HB3 ASN 35 1HB ASN 35 4.534 -1.879 -5.982
308 HD21 ASN 35 1HD2 ASN 35 1.964 -0.930 -6.302
309 HD22 ASN 35 2HD2 ASN 35 1.309 -1.530 -7.781
310 H THR 36 H THR 36 3.663 -4.917 -3.281
311 HA THR 36 HA THR 36 1.794 -6.910 -4.445
312 HB THR 36 HB THR 36 4.007 -7.946 -3.677
313 HG1 THR 36 1HG THR 36 2.941 -9.725 -2.850
314 HG21 THR 36 3HG2 THR 36 4.396 -8.294 -1.306
315 HG22 THR 36 1HG2 THR 36 2.921 -7.419 -0.888
316 HG23 THR 36 2HG2 THR 36 4.281 -6.562 -1.601
317 H TRP 37 H TRP 37 0.446 -7.873 -2.478
318 HA TRP 37 HA TRP 37 -0.903 -5.593 -1.230
319 HD1 TRP 37 HD TRP 37 -1.649 -8.571 -4.193
320 HE1 TRP 37 1HE TRP 37 -2.990 -7.322 -5.989
321 HE3 TRP 37 3HE TRP 37 -3.792 -4.983 -1.264
322 HZ2 TRP 37 2HZ TRP 37 -4.703 -5.097 -6.163
323 HZ3 TRP 37 3HZ TRP 37 -5.260 -3.319 -2.322
324 HH2 TRP 37 HH TRP 37 -5.704 -3.381 -4.718
325 HB2 TRP 37 2HB TRP 37 -1.700 -8.525 -1.524
326 HB3 TRP 37 1HB TRP 37 -2.699 -7.291 -0.769
327 H GLU 38 H GLU 38 -0.705 -5.082 0.881
328 HA GLU 38 HA GLU 38 0.026 -7.144 2.884
329 HB2 GLU 38 2HB GLU 38 0.838 -4.194 2.941
330 HB3 GLU 38 1HB GLU 38 1.141 -5.353 4.229
331 HG2 GLU 38 2HG GLU 38 2.371 -5.336 1.458
332 HG3 GLU 38 1HG GLU 38 3.170 -4.949 2.979
333 HA PRO 39 HA PRO 39 -3.986 -6.151 4.594
334 HB2 PRO 39 2HB PRO 39 -3.609 -6.934 7.224
335 HB3 PRO 39 1HB PRO 39 -3.819 -8.065 5.877
336 HG2 PRO 39 2HG PRO 39 -1.241 -7.077 7.132
337 HG3 PRO 39 1HG PRO 39 -1.725 -8.750 6.762
338 HD2 PRO 39 2HD PRO 39 -0.095 -7.422 5.120
339 HD3 PRO 39 1HD PRO 39 -1.372 -8.461 4.444
340 H GLU 40 H GLU 40 -5.102 -4.935 6.287
341 HA GLU 40 HA GLU 40 -4.405 -2.255 6.544
342 HB2 GLU 40 2HB GLU 40 -6.278 -2.110 8.164
343 HB3 GLU 40 1HB GLU 40 -6.710 -3.045 6.737
344 HG2 GLU 40 2HG GLU 40 -6.529 -5.130 7.953
345 HG3 GLU 40 1HG GLU 40 -5.851 -4.317 9.360
346 H GLU 41 H GLU 41 -3.863 -4.914 8.762
347 HA GLU 41 HA GLU 41 -3.086 -3.418 11.063
348 HB2 GLU 41 2HB GLU 41 -2.358 -5.683 11.933
349 HB3 GLU 41 1HB GLU 41 -4.017 -5.629 11.344
350 HG2 GLU 41 2HG GLU 41 -3.269 -6.677 9.208
351 HG3 GLU 41 1HG GLU 41 -1.636 -6.784 9.862
352 H ASN 42 H ASN 42 -1.406 -4.766 8.308
353 HA ASN 42 HA ASN 42 1.286 -4.475 9.277
354 HB2 ASN 42 2HB ASN 42 0.541 -6.092 7.477
355 HB3 ASN 42 1HB ASN 42 0.261 -4.727 6.408
356 HD21 ASN 42 1HD2 ASN 42 2.158 -7.094 6.397
357 HD22 ASN 42 2HD2 ASN 42 3.678 -6.388 5.997
358 H ILE 43 H ILE 43 -1.019 -2.525 7.461
359 HA ILE 43 HA ILE 43 0.914 -0.349 7.022
360 HB ILE 43 HB ILE 43 -1.939 -0.638 5.960
361 HG12 ILE 43 2HG1 ILE 43 -0.506 -2.366 4.983
362 HG13 ILE 43 1HG1 ILE 43 -0.827 -1.138 3.765
363 HG21 ILE 43 1HG2 ILE 43 0.213 1.394 5.198
364 HG22 ILE 43 2HG2 ILE 43 -1.259 1.736 6.112
365 HG23 ILE 43 3HG2 ILE 43 -1.368 1.216 4.433
366 HD11 ILE 43 3HD1 ILE 43 1.720 -1.431 5.362
367 HD12 ILE 43 1HD1 ILE 43 1.411 -0.199 4.136
368 HD13 ILE 43 2HD1 ILE 43 1.473 -1.900 3.684
369 H LEU 44 H LEU 44 0.986 -0.089 9.349
370 HA LEU 44 HA LEU 44 -1.330 1.135 10.667
371 HG LEU 44 HG LEU 44 -0.073 1.776 13.400
372 HB2 LEU 44 2HB LEU 44 0.101 -0.745 11.701
373 HB3 LEU 44 1HB LEU 44 1.379 0.441 11.887
374 HD11 LEU 44 1HD1 LEU 44 -2.215 0.876 14.210
375 HD12 LEU 44 2HD1 LEU 44 -2.108 -0.441 13.037
376 HD13 LEU 44 3HD1 LEU 44 -2.256 1.228 12.483
377 HD21 LEU 44 3HD2 LEU 44 -0.043 0.241 15.326
378 HD22 LEU 44 1HD2 LEU 44 1.436 0.114 14.373
379 HD23 LEU 44 2HD2 LEU 44 0.193 -1.133 14.240
380 H ASP 45 H ASP 45 1.335 2.071 8.884
381 HA ASP 45 HA ASP 45 2.028 4.531 10.229
382 HB2 ASP 45 2HB ASP 45 3.684 3.262 8.905
383 HB3 ASP 45 1HB ASP 45 2.731 3.507 7.446
384 HA PRO 46 HA PRO 46 -1.523 6.714 8.572
385 HB2 PRO 46 2HB PRO 46 -0.919 9.265 9.334
386 HB3 PRO 46 1HB PRO 46 -1.382 8.011 10.497
387 HG2 PRO 46 2HG PRO 46 1.395 8.935 9.721
388 HG3 PRO 46 1HG PRO 46 0.719 8.705 11.349
389 HD2 PRO 46 2HD PRO 46 2.282 6.828 10.178
390 HD3 PRO 46 1HD PRO 46 0.923 6.370 11.238
391 H ARG 47 H ARG 47 1.744 7.632 7.572
392 HA ARG 47 HA ARG 47 1.089 9.672 5.677
393 HE ARG 47 HE ARG 47 4.094 10.508 9.374
394 HB2 ARG 47 2HB ARG 47 3.569 7.897 5.569
395 HB3 ARG 47 1HB ARG 47 3.399 9.546 4.967
396 HG2 ARG 47 2HG ARG 47 3.448 8.684 7.888
397 HG3 ARG 47 1HG ARG 47 4.776 9.440 7.001
398 HD2 ARG 47 2HD ARG 47 3.457 11.488 6.731
399 HD3 ARG 47 1HD ARG 47 2.084 10.734 7.557
400 HH11 ARG 47 1HH1 ARG 47 2.833 13.299 7.626
401 HH12 ARG 47 2HH1 ARG 47 3.203 14.387 8.923
402 HH21 ARG 47 1HH2 ARG 47 4.544 11.969 11.026
403 HH22 ARG 47 2HH2 ARG 47 4.174 13.647 10.822
404 H LEU 48 H LEU 48 1.464 6.193 5.536
405 HA LEU 48 HA LEU 48 1.184 5.795 2.725
406 HG LEU 48 HG LEU 48 2.638 4.477 5.478
407 HB2 LEU 48 2HB LEU 48 0.336 3.837 4.905
408 HB3 LEU 48 1HB LEU 48 0.825 3.461 3.255
409 HD11 LEU 48 1HD1 LEU 48 2.496 1.728 4.206
410 HD12 LEU 48 2HD1 LEU 48 1.991 2.164 5.841
411 HD13 LEU 48 3HD1 LEU 48 3.691 2.265 5.394
412 HD21 LEU 48 3HD2 LEU 48 3.346 3.744 2.627
413 HD22 LEU 48 1HD2 LEU 48 4.498 4.116 3.913
414 HD23 LEU 48 2HD2 LEU 48 3.383 5.354 3.349
415 H LEU 49 H LEU 49 -1.066 5.784 5.476
416 HA LEU 49 HA LEU 49 -3.429 5.053 4.112
417 HG LEU 49 HG LEU 49 -2.192 4.170 6.767
418 HB2 LEU 49 2HB LEU 49 -3.017 6.537 6.727
419 HB3 LEU 49 1HB LEU 49 -4.588 5.964 6.178
420 HD11 LEU 49 1HD1 LEU 49 -3.396 3.465 8.787
421 HD12 LEU 49 2HD1 LEU 49 -4.651 4.670 8.475
422 HD13 LEU 49 3HD1 LEU 49 -2.996 5.180 8.823
423 HD21 LEU 49 3HD2 LEU 49 -5.065 3.418 6.118
424 HD22 LEU 49 1HD2 LEU 49 -3.783 2.299 6.595
425 HD23 LEU 49 2HD2 LEU 49 -3.655 3.187 5.081
426 H ILE 50 H ILE 50 -1.831 8.178 4.363
427 HA ILE 50 HA ILE 50 -3.976 9.920 3.782
428 HB ILE 50 HB ILE 50 -1.082 10.249 2.835
429 HG12 ILE 50 2HG1 ILE 50 -1.141 9.955 5.279
430 HG13 ILE 50 1HG1 ILE 50 -0.715 11.612 4.891
431 HG21 ILE 50 1HG2 ILE 50 -3.272 12.342 3.171
432 HG22 ILE 50 2HG2 ILE 50 -2.597 11.766 1.644
433 HG23 ILE 50 3HG2 ILE 50 -1.588 12.682 2.763
434 HD11 ILE 50 3HD1 ILE 50 -3.009 12.299 5.426
435 HD12 ILE 50 1HD1 ILE 50 -2.196 11.514 6.780
436 HD13 ILE 50 2HD1 ILE 50 -3.400 10.627 5.844
437 H ALA 51 H ALA 51 -1.784 8.122 1.637
438 HA ALA 51 HA ALA 51 -2.771 8.977 -0.860
439 HB1 ALA 51 1HB ALA 51 -1.502 6.305 -0.168
440 HB2 ALA 51 2HB ALA 51 -0.639 7.782 -0.604
441 HB3 ALA 51 3HB ALA 51 -1.670 6.985 -1.794
442 H PHE 52 H PHE 52 -3.798 6.342 1.269
443 HA PHE 52 HA PHE 52 -5.739 5.090 -0.356
444 HD1 PHE 52 2HD PHE 52 -7.811 3.103 1.180
445 HD2 PHE 52 1HD PHE 52 -6.455 5.890 4.122
446 HE1 PHE 52 2HE PHE 52 -9.921 2.861 2.407
447 HE2 PHE 52 1HE PHE 52 -8.578 5.638 5.333
448 HZ PHE 52 HZ PHE 52 -10.308 4.124 4.472
449 HB2 PHE 52 2HB PHE 52 -5.350 3.711 1.450
450 HB3 PHE 52 1HB PHE 52 -4.913 5.042 2.500
451 H GLN 53 H GLN 53 -5.981 7.824 1.914
452 HA GLN 53 HA GLN 53 -8.797 8.135 2.013
453 HB2 GLN 53 2HB GLN 53 -6.594 10.222 2.358
454 HB3 GLN 53 1HB GLN 53 -8.280 10.453 2.830
455 HG2 GLN 53 2HG GLN 53 -8.111 8.799 4.553
456 HG3 GLN 53 1HG GLN 53 -6.535 8.261 3.970
457 HE21 GLN 53 1HE2 GLN 53 -5.476 8.654 5.902
458 HE22 GLN 53 2HE2 GLN 53 -5.202 10.239 6.525
459 H ASN 54 H ASN 54 -6.321 9.750 0.060
460 HA ASN 54 HA ASN 54 -8.100 11.333 -1.510
461 HB2 ASN 54 2HB ASN 54 -5.164 10.609 -1.864
462 HB3 ASN 54 1HB ASN 54 -6.026 11.641 -3.000
463 HD21 ASN 54 1HD2 ASN 54 -4.705 11.428 0.227
464 HD22 ASN 54 2HD2 ASN 54 -4.866 13.098 0.619
465 H ARG 55 H ARG 55 -6.631 8.144 -1.950
466 HA ARG 55 HA ARG 55 -7.027 7.611 -4.650
467 HE ARG 55 HE ARG 55 -8.373 5.577 -6.240
468 HB2 ARG 55 2HB ARG 55 -5.803 6.107 -3.144
469 HB3 ARG 55 1HB ARG 55 -7.264 5.739 -2.252
470 HG2 ARG 55 2HG ARG 55 -6.608 3.854 -3.649
471 HG3 ARG 55 1HG ARG 55 -8.154 4.497 -4.195
472 HD2 ARG 55 2HD ARG 55 -5.554 5.330 -5.515
473 HD3 ARG 55 1HD ARG 55 -6.376 3.842 -5.987
474 HH11 ARG 55 1HH1 ARG 55 -5.049 6.008 -7.319
475 HH12 ARG 55 2HH1 ARG 55 -5.514 6.955 -8.693
476 HH21 ARG 55 1HH2 ARG 55 -8.944 6.819 -8.021
477 HH22 ARG 55 2HH2 ARG 55 -7.710 7.423 -9.085
478 H GLU 56 H GLU 56 -9.336 7.243 -1.971
479 HA GLU 56 HA GLU 56 -11.466 6.169 -3.574
480 HB2 GLU 56 2HB GLU 56 -11.545 7.338 -0.763
481 HB3 GLU 56 1HB GLU 56 -12.820 6.377 -1.523
482 HG2 GLU 56 2HG GLU 56 -11.151 4.488 -1.715
483 HG3 GLU 56 1HG GLU 56 -10.033 5.457 -0.751
484 H ARG 57 H ARG 57 -10.480 9.409 -2.646
485 HA ARG 57 HA ARG 57 -12.921 10.689 -3.561
486 HE ARG 57 HE ARG 57 -12.813 12.862 1.083
487 HB2 ARG 57 2HB ARG 57 -10.272 11.771 -2.551
488 HB3 ARG 57 1HB ARG 57 -11.461 12.833 -3.306
489 HG2 ARG 57 2HG ARG 57 -13.147 12.034 -1.590
490 HG3 ARG 57 1HG ARG 57 -11.823 11.197 -0.769
491 HD2 ARG 57 2HD ARG 57 -10.710 13.274 -0.285
492 HD3 ARG 57 1HD ARG 57 -11.778 14.175 -1.371
493 HH11 ARG 57 1HH1 ARG 57 -12.475 15.766 -0.879
494 HH12 ARG 57 2HH1 ARG 57 -13.530 16.706 0.119
495 HH21 ARG 57 1HH2 ARG 57 -14.185 14.126 2.377
496 HH22 ARG 57 2HH2 ARG 57 -14.495 15.778 1.965
497 H GLN 58 H GLN 58 -9.980 9.620 -5.060
498 HA GLN 58 HA GLN 58 -10.367 11.265 -7.461
499 HB2 GLN 58 2HB GLN 58 -8.384 8.979 -7.025
500 HB3 GLN 58 1HB GLN 58 -8.363 10.146 -8.343
501 HG2 GLN 58 2HG GLN 58 -7.787 10.681 -5.420
502 HG3 GLN 58 1HG GLN 58 -6.631 10.688 -6.742
503 HE21 GLN 58 1HE2 GLN 58 -7.382 12.775 -4.760
504 HE22 GLN 58 2HE2 GLN 58 -7.774 14.169 -5.704
505 H GLU 59 H GLU 59 -12.635 10.244 -7.304
506 HA GLU 59 HA GLU 59 -12.967 7.514 -8.209
507 HB2 GLU 59 2HB GLU 59 -15.378 8.004 -8.069
508 HB3 GLU 59 1HB GLU 59 -14.556 8.511 -6.594
509 HG2 GLU 59 2HG GLU 59 -14.595 10.858 -7.408
510 HG3 GLU 59 1HG GLU 59 -15.462 10.332 -8.853
511 H GLN 60 H GLN 60 -14.493 7.128 -10.050
512 HA GLN 60 HA GLN 60 -14.779 6.898 -12.257
513 HB2 GLN 60 2HB GLN 60 -14.618 9.940 -12.321
514 HB3 GLN 60 1HB GLN 60 -15.261 8.919 -13.610
515 HG2 GLN 60 2HG GLN 60 -17.034 8.136 -11.994
516 HG3 GLN 60 1HG GLN 60 -16.415 9.322 -10.834
517 HE21 GLN 60 1HE2 GLN 60 -18.117 8.882 -13.853
518 HE22 GLN 60 2HE2 GLN 60 -18.746 10.485 -13.958
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 26.668 -3.363 -0.089
2 H2 GLY 1 2HT GLY 1 25.953 -1.915 0.395
3 H3 GLY 1 3HT GLY 1 25.327 -2.763 -0.923
4 HA2 GLY 1 1HA GLY 1 24.755 -4.616 0.546
5 HA3 GLY 1 2HA GLY 1 25.320 -3.650 1.900
6 H SER 2 H SER 2 23.025 -4.183 2.564
7 HA SER 2 HA SER 2 20.826 -3.800 2.867
8 HG SER 2 HG SER 2 21.766 -0.776 1.346
9 HB2 SER 2 2HB SER 2 20.181 -1.412 3.185
10 HB3 SER 2 1HB SER 2 21.720 -1.791 3.951
11 H GLU 3 H GLU 3 21.308 -4.725 0.349
12 HA GLU 3 HA GLU 3 19.972 -3.118 -1.681
13 HB2 GLU 3 2HB GLU 3 20.592 -5.023 -3.194
14 HB3 GLU 3 1HB GLU 3 21.959 -4.307 -2.344
15 HG2 GLU 3 2HG GLU 3 21.691 -6.204 -0.623
16 HG3 GLU 3 1HG GLU 3 20.625 -6.972 -1.797
17 H HIS 4 H HIS 4 19.034 -5.419 0.659
18 HA HIS 4 HA HIS 4 16.632 -6.263 -0.839
19 HD1 HIS 4 1HD HIS 4 15.180 -7.845 2.622
20 HD2 HIS 4 2HD HIS 4 16.256 -9.534 -1.013
21 HE1 HIS 4 1HE HIS 4 13.377 -9.512 2.100
22 HE2 HIS 4 2HE HIS 4 13.948 -10.360 -0.195
23 HB2 HIS 4 2HB HIS 4 18.149 -7.958 0.354
24 HB3 HIS 4 1HB HIS 4 17.599 -7.280 1.879
25 H VAL 5 H VAL 5 17.149 -3.497 0.421
26 HA VAL 5 HA VAL 5 15.294 -3.332 2.616
27 HB VAL 5 HB VAL 5 15.429 -0.834 2.349
28 HG11 VAL 5 1HG1 VAL 5 16.961 -2.041 3.853
29 HG12 VAL 5 2HG1 VAL 5 17.765 -0.648 3.131
30 HG13 VAL 5 3HG1 VAL 5 18.106 -2.271 2.527
31 HG21 VAL 5 3HG2 VAL 5 17.411 -1.435 0.112
32 HG22 VAL 5 1HG2 VAL 5 17.105 0.161 0.806
33 HG23 VAL 5 2HG2 VAL 5 15.832 -0.676 -0.087
34 H PHE 6 H PHE 6 13.208 -3.276 2.534
35 HA PHE 6 HA PHE 6 11.749 -2.164 0.223
36 HD1 PHE 6 2HD PHE 6 12.990 -5.902 1.590
37 HD2 PHE 6 1HD PHE 6 9.079 -4.603 2.729
38 HE1 PHE 6 2HE PHE 6 13.008 -7.477 3.477
39 HE2 PHE 6 1HE PHE 6 9.108 -6.181 4.612
40 HZ PHE 6 HZ PHE 6 11.070 -7.617 4.987
41 HB2 PHE 6 2HB PHE 6 10.006 -3.962 0.548
42 HB3 PHE 6 1HB PHE 6 11.551 -4.600 0.008
43 H ALA 7 H ALA 7 10.327 -0.643 0.847
44 HA ALA 7 HA ALA 7 9.058 -0.654 3.479
45 HB1 ALA 7 1HB ALA 7 9.729 1.670 3.997
46 HB2 ALA 7 2HB ALA 7 10.747 1.715 2.554
47 HB3 ALA 7 3HB ALA 7 11.143 0.623 3.880
48 H VAL 8 H VAL 8 7.044 0.220 3.364
49 HA VAL 8 HA VAL 8 5.876 0.652 0.800
50 HB VAL 8 HB VAL 8 4.689 1.173 3.554
51 HG11 VAL 8 1HG1 VAL 8 3.301 0.894 0.852
52 HG12 VAL 8 2HG1 VAL 8 3.397 2.359 1.831
53 HG13 VAL 8 3HG1 VAL 8 2.471 0.972 2.409
54 HG21 VAL 8 3HG2 VAL 8 5.412 -1.176 3.310
55 HG22 VAL 8 1HG2 VAL 8 4.486 -1.317 1.813
56 HG23 VAL 8 2HG2 VAL 8 3.653 -1.065 3.346
57 H GLU 9 H GLU 9 5.629 2.454 -0.290
58 HA GLU 9 HA GLU 9 6.674 4.999 0.771
59 HB2 GLU 9 2HB GLU 9 7.755 4.135 -1.257
60 HB3 GLU 9 1HB GLU 9 6.205 4.012 -2.085
61 HG2 GLU 9 2HG GLU 9 5.989 6.475 -2.039
62 HG3 GLU 9 1HG GLU 9 7.525 6.592 -1.178
63 H SER 10 H SER 10 4.017 3.696 -1.220
64 HA SER 10 HA SER 10 2.082 5.537 -0.052
65 HG SER 10 HG SER 10 3.608 7.068 -1.178
66 HB2 SER 10 2HB SER 10 2.659 5.488 -3.061
67 HB3 SER 10 1HB SER 10 1.261 6.277 -2.327
68 H ILE 11 H ILE 11 -0.109 4.914 -0.560
69 HA ILE 11 HA ILE 11 -0.519 2.110 -1.336
70 HB ILE 11 HB ILE 11 -2.406 4.197 -0.127
71 HG12 ILE 11 2HG1 ILE 11 -1.250 1.633 1.054
72 HG13 ILE 11 1HG1 ILE 11 -0.645 3.251 1.407
73 HG21 ILE 11 1HG2 ILE 11 -4.075 2.373 0.090
74 HG22 ILE 11 2HG2 ILE 11 -3.010 1.284 -0.795
75 HG23 ILE 11 3HG2 ILE 11 -3.702 2.690 -1.607
76 HD11 ILE 11 3HD1 ILE 11 -3.366 2.154 2.102
77 HD12 ILE 11 1HD1 ILE 11 -2.832 3.811 2.402
78 HD13 ILE 11 2HD1 ILE 11 -2.027 2.466 3.198
79 H GLU 12 H GLU 12 -1.394 1.596 -3.262
80 HA GLU 12 HA GLU 12 -1.750 3.704 -5.283
81 HB2 GLU 12 2HB GLU 12 -1.237 0.706 -5.607
82 HB3 GLU 12 1HB GLU 12 -1.374 1.864 -6.927
83 HG2 GLU 12 2HG GLU 12 0.775 1.837 -4.792
84 HG3 GLU 12 1HG GLU 12 0.973 1.336 -6.470
85 H LYS 13 H LYS 13 -3.179 0.636 -4.194
86 HA LYS 13 HA LYS 13 -5.869 1.598 -4.942
87 HB2 LYS 13 2HB LYS 13 -4.866 -1.264 -5.352
88 HB3 LYS 13 1HB LYS 13 -6.490 -0.668 -5.692
89 HG2 LYS 13 2HG LYS 13 -5.564 0.799 -7.471
90 HG3 LYS 13 1HG LYS 13 -3.952 0.151 -7.142
91 HD2 LYS 13 2HD LYS 13 -4.811 -2.137 -7.746
92 HD3 LYS 13 1HD LYS 13 -6.361 -1.399 -8.172
93 HE2 LYS 13 2HE LYS 13 -3.688 -0.795 -9.486
94 HE3 LYS 13 1HE LYS 13 -4.981 -1.777 -10.170
95 HZ1 LYS 13 3HZ LYS 13 -5.131 1.129 -9.557
96 HZ2 LYS 13 1HZ LYS 13 -6.410 0.198 -10.154
97 HZ3 LYS 13 2HZ LYS 13 -5.026 0.437 -11.094
98 H LYS 14 H LYS 14 -7.564 0.593 -3.694
99 HA LYS 14 HA LYS 14 -6.826 -1.034 -1.380
100 HB2 LYS 14 2HB LYS 14 -7.305 0.474 0.270
101 HB3 LYS 14 1HB LYS 14 -7.032 1.689 -0.951
102 HG2 LYS 14 2HG LYS 14 -8.991 2.421 0.037
103 HG3 LYS 14 1HG LYS 14 -9.622 1.524 -1.342
104 HD2 LYS 14 2HD LYS 14 -10.190 -0.376 0.090
105 HD3 LYS 14 1HD LYS 14 -9.370 0.362 1.469
106 HE2 LYS 14 2HE LYS 14 -11.893 0.543 1.507
107 HE3 LYS 14 1HE LYS 14 -11.032 2.073 1.658
108 HZ1 LYS 14 3HZ LYS 14 -12.177 1.065 -0.889
109 HZ2 LYS 14 1HZ LYS 14 -11.495 2.585 -0.612
110 HZ3 LYS 14 2HZ LYS 14 -12.949 2.161 0.136
111 H ARG 15 H ARG 15 -8.488 -2.323 -0.654
112 HA ARG 15 HA ARG 15 -11.193 -2.069 -1.614
113 HE ARG 15 HE ARG 15 -7.019 -6.186 -2.825
114 HB2 ARG 15 2HB ARG 15 -11.165 -4.493 -2.549
115 HB3 ARG 15 1HB ARG 15 -10.516 -3.206 -3.553
116 HG2 ARG 15 2HG ARG 15 -9.118 -5.193 -3.731
117 HG3 ARG 15 1HG ARG 15 -8.213 -3.883 -2.983
118 HD2 ARG 15 2HD ARG 15 -8.346 -4.901 -0.826
119 HD3 ARG 15 1HD ARG 15 -9.521 -6.109 -1.396
120 HH11 ARG 15 1HH1 ARG 15 -8.683 -7.370 0.037
121 HH12 ARG 15 2HH1 ARG 15 -7.608 -8.704 0.246
122 HH21 ARG 15 1HH2 ARG 15 -5.643 -7.940 -2.541
123 HH22 ARG 15 2HH2 ARG 15 -5.859 -9.006 -1.193
124 H ILE 16 H ILE 16 -12.616 -3.709 -0.695
125 HA ILE 16 HA ILE 16 -11.535 -5.131 1.667
126 HB ILE 16 HB ILE 16 -14.286 -3.879 1.276
127 HG12 ILE 16 2HG1 ILE 16 -12.169 -3.636 3.434
128 HG13 ILE 16 1HG1 ILE 16 -12.491 -2.424 2.192
129 HG21 ILE 16 1HG2 ILE 16 -14.996 -4.968 3.403
130 HG22 ILE 16 2HG2 ILE 16 -13.496 -5.895 3.428
131 HG23 ILE 16 3HG2 ILE 16 -14.675 -6.159 2.140
132 HD11 ILE 16 3HD1 ILE 16 -13.405 -1.753 4.324
133 HD12 ILE 16 1HD1 ILE 16 -14.347 -3.239 4.425
134 HD13 ILE 16 2HD1 ILE 16 -14.712 -2.044 3.175
135 H ARG 17 H ARG 17 -11.339 -7.153 1.236
136 HA ARG 17 HA ARG 17 -13.448 -8.650 -0.128
137 HE ARG 17 HE ARG 17 -12.844 -7.896 -4.864
138 HB2 ARG 17 2HB ARG 17 -10.481 -8.825 -0.831
139 HB3 ARG 17 1HB ARG 17 -11.641 -10.066 -1.294
140 HG2 ARG 17 2HG ARG 17 -11.656 -7.169 -2.205
141 HG3 ARG 17 1HG ARG 17 -11.155 -8.563 -3.164
142 HD2 ARG 17 2HD ARG 17 -13.489 -9.468 -2.972
143 HD3 ARG 17 1HD ARG 17 -13.955 -7.986 -2.127
144 HH11 ARG 17 1HH1 ARG 17 -15.499 -7.149 -2.686
145 HH12 ARG 17 2HH1 ARG 17 -16.358 -6.227 -3.869
146 HH21 ARG 17 1HH2 ARG 17 -13.999 -6.688 -6.393
147 HH22 ARG 17 2HH2 ARG 17 -15.507 -5.957 -5.960
148 H LYS 18 H LYS 18 -13.889 -10.552 0.862
149 HA LYS 18 HA LYS 18 -13.976 -12.186 2.414
150 HB2 LYS 18 2HB LYS 18 -11.745 -12.764 1.336
151 HB3 LYS 18 1HB LYS 18 -10.942 -11.896 2.638
152 HG2 LYS 18 2HG LYS 18 -11.727 -13.498 4.278
153 HG3 LYS 18 1HG LYS 18 -12.761 -14.287 3.083
154 HD2 LYS 18 2HD LYS 18 -10.713 -14.951 1.806
155 HD3 LYS 18 1HD LYS 18 -9.714 -14.241 3.082
156 HE2 LYS 18 2HE LYS 18 -9.952 -16.714 3.295
157 HE3 LYS 18 1HE LYS 18 -10.580 -15.854 4.701
158 HZ1 LYS 18 3HZ LYS 18 -12.804 -16.144 3.877
159 HZ2 LYS 18 1HZ LYS 18 -12.043 -17.648 3.947
160 HZ3 LYS 18 2HZ LYS 18 -12.245 -16.874 2.459
161 H GLY 19 H GLY 19 -14.278 -9.394 3.157
162 HA2 GLY 19 2HA GLY 19 -14.677 -8.100 5.018
163 HA3 GLY 19 1HA GLY 19 -14.279 -9.491 6.015
164 H ARG 20 H ARG 20 -11.829 -8.697 3.792
165 HA ARG 20 HA ARG 20 -10.151 -7.560 5.945
166 HE ARG 20 HE ARG 20 -9.119 -12.733 5.857
167 HB2 ARG 20 2HB ARG 20 -9.270 -9.014 3.405
168 HB3 ARG 20 1HB ARG 20 -8.232 -8.446 4.710
169 HG2 ARG 20 2HG ARG 20 -9.173 -10.120 6.236
170 HG3 ARG 20 1HG ARG 20 -10.320 -10.636 4.991
171 HD2 ARG 20 2HD ARG 20 -8.395 -11.300 3.542
172 HD3 ARG 20 1HD ARG 20 -7.292 -10.852 4.845
173 HH11 ARG 20 1HH1 ARG 20 -6.427 -12.597 3.581
174 HH12 ARG 20 2HH1 ARG 20 -6.039 -14.278 3.752
175 HH21 ARG 20 1HH2 ARG 20 -8.576 -14.942 6.080
176 HH22 ARG 20 2HH2 ARG 20 -7.261 -15.611 5.173
177 H VAL 21 H VAL 21 -9.894 -5.402 5.679
178 HA VAL 21 HA VAL 21 -9.782 -4.184 3.044
179 HB VAL 21 HB VAL 21 -10.819 -2.865 4.782
180 HG11 VAL 21 1HG1 VAL 21 -9.611 -1.951 6.737
181 HG12 VAL 21 2HG1 VAL 21 -8.213 -2.943 6.323
182 HG13 VAL 21 3HG1 VAL 21 -9.729 -3.714 6.785
183 HG21 VAL 21 3HG2 VAL 21 -9.658 -1.627 3.011
184 HG22 VAL 21 1HG2 VAL 21 -8.172 -1.613 3.966
185 HG23 VAL 21 2HG2 VAL 21 -9.593 -0.730 4.530
186 H GLU 22 H GLU 22 -8.011 -4.278 1.839
187 HA GLU 22 HA GLU 22 -5.341 -4.486 3.066
188 HB2 GLU 22 2HB GLU 22 -6.088 -6.776 2.633
189 HB3 GLU 22 1HB GLU 22 -6.499 -6.373 0.973
190 HG2 GLU 22 2HG GLU 22 -4.253 -6.290 0.300
191 HG3 GLU 22 1HG GLU 22 -3.672 -6.076 1.950
192 H TYR 23 H TYR 23 -3.681 -3.640 1.829
193 HA TYR 23 HA TYR 23 -4.600 -1.680 -0.196
194 HD1 TYR 23 1HD TYR 23 -5.862 -0.383 0.923
195 HD2 TYR 23 2HD TYR 23 -2.905 -0.451 4.006
196 HE1 TYR 23 1HE TYR 23 -7.498 0.506 2.522
197 HE2 TYR 23 2HE TYR 23 -4.550 0.430 5.607
198 HH TYR 23 HH TYR 23 -6.649 1.787 5.512
199 HB2 TYR 23 2HB TYR 23 -2.386 -1.420 1.885
200 HB3 TYR 23 1HB TYR 23 -2.885 -0.170 0.744
201 H LEU 24 H LEU 24 -3.521 -1.588 -2.098
202 HA LEU 24 HA LEU 24 -1.308 -3.380 -2.680
203 HG LEU 24 HG LEU 24 -0.380 -2.073 -5.324
204 HB2 LEU 24 2HB LEU 24 -3.144 -2.889 -4.337
205 HB3 LEU 24 1HB LEU 24 -2.574 -1.230 -4.428
206 HD11 LEU 24 1HD1 LEU 24 -0.216 -4.410 -6.108
207 HD12 LEU 24 2HD1 LEU 24 -1.767 -4.774 -5.351
208 HD13 LEU 24 3HD1 LEU 24 -0.383 -4.320 -4.355
209 HD21 LEU 24 3HD2 LEU 24 -2.822 -2.914 -6.915
210 HD22 LEU 24 1HD2 LEU 24 -1.209 -2.615 -7.570
211 HD23 LEU 24 2HD2 LEU 24 -2.127 -1.290 -6.857
212 H VAL 25 H VAL 25 0.622 -2.759 -1.884
213 HA VAL 25 HA VAL 25 1.224 0.063 -1.388
214 HB VAL 25 HB VAL 25 3.020 -0.769 0.046
215 HG11 VAL 25 1HG1 VAL 25 0.755 -0.653 1.011
216 HG12 VAL 25 2HG1 VAL 25 1.652 -2.002 1.709
217 HG13 VAL 25 3HG1 VAL 25 0.421 -2.307 0.481
218 HG21 VAL 25 3HG2 VAL 25 3.412 -3.196 0.400
219 HG22 VAL 25 1HG2 VAL 25 3.779 -2.714 -1.257
220 HG23 VAL 25 2HG2 VAL 25 2.280 -3.570 -0.901
221 H LYS 26 H LYS 26 2.629 1.198 -2.518
222 HA LYS 26 HA LYS 26 4.286 0.052 -4.616
223 HB2 LYS 26 2HB LYS 26 2.967 2.303 -4.699
224 HB3 LYS 26 1HB LYS 26 4.233 2.959 -3.679
225 HG2 LYS 26 2HG LYS 26 4.702 1.741 -6.422
226 HG3 LYS 26 1HG LYS 26 4.461 3.461 -6.120
227 HD2 LYS 26 2HD LYS 26 6.520 3.368 -4.604
228 HD3 LYS 26 1HD LYS 26 6.783 1.727 -5.204
229 HE2 LYS 26 2HE LYS 26 8.166 3.303 -6.448
230 HE3 LYS 26 1HE LYS 26 6.933 2.623 -7.519
231 HZ1 LYS 26 3HZ LYS 26 6.803 5.278 -6.183
232 HZ2 LYS 26 1HZ LYS 26 5.620 4.633 -7.205
233 HZ3 LYS 26 2HZ LYS 26 7.149 5.004 -7.819
234 H TRP 27 H TRP 27 6.137 -0.897 -3.913
235 HA TRP 27 HA TRP 27 7.506 -0.170 -1.479
236 HD1 TRP 27 HD TRP 27 6.263 -3.735 -3.786
237 HE1 TRP 27 1HE TRP 27 5.069 -5.157 -2.005
238 HE3 TRP 27 3HE TRP 27 8.428 -1.809 0.420
239 HZ2 TRP 27 2HZ TRP 27 5.032 -5.431 0.781
240 HZ3 TRP 27 3HZ TRP 27 7.751 -2.696 2.608
241 HH2 TRP 27 HH TRP 27 6.088 -4.474 2.782
242 HB2 TRP 27 2HB TRP 27 8.287 -2.067 -3.742
243 HB3 TRP 27 1HB TRP 27 9.146 -1.918 -2.210
244 H ARG 28 H ARG 28 9.119 1.264 -1.269
245 HA ARG 28 HA ARG 28 9.785 3.131 -3.261
246 HE ARG 28 HE ARG 28 13.648 3.387 -0.935
247 HB2 ARG 28 2HB ARG 28 11.490 3.971 -1.659
248 HB3 ARG 28 1HB ARG 28 9.921 3.727 -0.908
249 HG2 ARG 28 2HG ARG 28 10.651 1.888 0.367
250 HG3 ARG 28 1HG ARG 28 12.026 1.568 -0.691
251 HD2 ARG 28 2HD ARG 28 11.772 3.996 1.122
252 HD3 ARG 28 1HD ARG 28 12.690 2.536 1.504
253 HH11 ARG 28 1HH1 ARG 28 13.498 4.795 2.278
254 HH12 ARG 28 2HH1 ARG 28 14.941 5.721 2.055
255 HH21 ARG 28 1HH2 ARG 28 15.529 4.599 -1.205
256 HH22 ARG 28 2HH2 ARG 28 16.091 5.624 0.078
257 H GLY 29 H GLY 29 11.287 3.139 -4.823
258 HA2 GLY 29 2HA GLY 29 13.200 2.723 -6.017
259 HA3 GLY 29 1HA GLY 29 13.832 1.805 -4.663
260 H TRP 30 H TRP 30 10.800 0.613 -5.449
261 HA TRP 30 HA TRP 30 11.831 -1.391 -7.369
262 HD1 TRP 30 HD TRP 30 11.116 -1.433 -3.112
263 HE1 TRP 30 1HE TRP 30 12.975 -2.902 -2.115
264 HE3 TRP 30 3HE TRP 30 12.022 -4.457 -7.154
265 HZ2 TRP 30 2HZ TRP 30 14.605 -5.050 -2.915
266 HZ3 TRP 30 3HZ TRP 30 13.753 -6.201 -6.949
267 HH2 TRP 30 HH TRP 30 15.020 -6.493 -4.871
268 HB2 TRP 30 2HB TRP 30 9.582 -1.658 -5.307
269 HB3 TRP 30 1HB TRP 30 10.029 -2.891 -6.483
270 H SER 31 H SER 31 10.540 -1.835 -9.150
271 HA SER 31 HA SER 31 9.044 0.283 -10.255
272 HG SER 31 HG SER 31 10.862 -1.904 -12.455
273 HB2 SER 31 2HB SER 31 9.163 -2.626 -11.163
274 HB3 SER 31 1HB SER 31 8.631 -1.259 -12.144
275 HA PRO 32 HA PRO 32 4.910 -0.349 -8.609
276 HB2 PRO 32 2HB PRO 32 3.348 0.564 -10.716
277 HB3 PRO 32 1HB PRO 32 4.240 1.627 -9.619
278 HG2 PRO 32 2HG PRO 32 5.065 0.589 -12.331
279 HG3 PRO 32 1HG PRO 32 5.134 2.254 -11.713
280 HD2 PRO 32 2HD PRO 32 7.337 0.747 -11.744
281 HD3 PRO 32 1HD PRO 32 7.008 1.802 -10.349
282 H LYS 33 H LYS 33 6.012 -2.370 -11.125
283 HA LYS 33 HA LYS 33 3.576 -4.025 -11.093
284 HB2 LYS 33 2HB LYS 33 4.808 -5.556 -12.607
285 HB3 LYS 33 1HB LYS 33 4.683 -3.920 -13.237
286 HG2 LYS 33 2HG LYS 33 6.983 -3.463 -12.814
287 HG3 LYS 33 1HG LYS 33 7.177 -4.916 -11.826
288 HD2 LYS 33 2HD LYS 33 7.089 -6.356 -13.719
289 HD3 LYS 33 1HD LYS 33 6.393 -5.109 -14.757
290 HE2 LYS 33 2HE LYS 33 9.211 -4.977 -13.628
291 HE3 LYS 33 1HE LYS 33 8.808 -5.615 -15.224
292 HZ1 LYS 33 3HZ LYS 33 8.267 -2.852 -14.280
293 HZ2 LYS 33 1HZ LYS 33 7.863 -3.463 -15.804
294 HZ3 LYS 33 2HZ LYS 33 9.484 -3.314 -15.355
295 H TYR 34 H TYR 34 6.579 -3.753 -9.428
296 HA TYR 34 HA TYR 34 6.543 -6.456 -8.306
297 HD1 TYR 34 1HD TYR 34 8.073 -7.384 -9.507
298 HD2 TYR 34 2HD TYR 34 10.255 -3.726 -9.137
299 HE1 TYR 34 1HE TYR 34 9.407 -7.988 -11.472
300 HE2 TYR 34 2HE TYR 34 11.593 -4.331 -11.113
301 HH TYR 34 HH TYR 34 12.249 -6.335 -12.371
302 HB2 TYR 34 2HB TYR 34 8.389 -4.094 -7.714
303 HB3 TYR 34 1HB TYR 34 8.604 -5.733 -7.104
304 H ASN 35 H ASN 35 4.547 -4.052 -7.795
305 HA ASN 35 HA ASN 35 4.520 -3.610 -4.992
306 HB2 ASN 35 2HB ASN 35 2.167 -2.826 -5.361
307 HB3 ASN 35 1HB ASN 35 3.329 -2.074 -6.446
308 HD21 ASN 35 1HD2 ASN 35 1.392 -1.513 -7.636
309 HD22 ASN 35 2HD2 ASN 35 0.729 -2.633 -8.770
310 H THR 36 H THR 36 3.077 -4.514 -3.412
311 HA THR 36 HA THR 36 1.828 -7.136 -4.036
312 HB THR 36 HB THR 36 2.527 -7.979 -1.776
313 HG1 THR 36 1HG THR 36 3.001 -6.280 -0.538
314 HG21 THR 36 3HG2 THR 36 4.901 -8.414 -2.260
315 HG22 THR 36 1HG2 THR 36 4.899 -7.137 -3.480
316 HG23 THR 36 2HG2 THR 36 3.927 -8.592 -3.721
317 H TRP 37 H TRP 37 0.001 -7.646 -2.723
318 HA TRP 37 HA TRP 37 -1.389 -5.406 -1.463
319 HD1 TRP 37 HD TRP 37 -2.040 -8.237 -4.551
320 HE1 TRP 37 1HE TRP 37 -3.442 -6.988 -6.311
321 HE3 TRP 37 3HE TRP 37 -4.394 -4.866 -1.489
322 HZ2 TRP 37 2HZ TRP 37 -5.268 -4.844 -6.404
323 HZ3 TRP 37 3HZ TRP 37 -5.932 -3.232 -2.499
324 HH2 TRP 37 HH TRP 37 -6.363 -3.219 -4.919
325 HB2 TRP 37 2HB TRP 37 -2.151 -8.337 -1.865
326 HB3 TRP 37 1HB TRP 37 -3.185 -7.157 -1.067
327 H GLU 38 H GLU 38 -0.954 -4.892 0.597
328 HA GLU 38 HA GLU 38 -0.030 -6.954 2.511
329 HB2 GLU 38 2HB GLU 38 0.593 -3.964 2.553
330 HB3 GLU 38 1HB GLU 38 1.097 -5.120 3.769
331 HG2 GLU 38 2HG GLU 38 1.987 -5.084 0.874
332 HG3 GLU 38 1HG GLU 38 2.935 -4.551 2.262
333 HA PRO 39 HA PRO 39 -3.854 -6.201 4.689
334 HB2 PRO 39 2HB PRO 39 -3.039 -6.881 7.255
335 HB3 PRO 39 1HB PRO 39 -3.448 -8.061 6.004
336 HG2 PRO 39 2HG PRO 39 -0.723 -7.017 6.801
337 HG3 PRO 39 1HG PRO 39 -1.234 -8.700 6.522
338 HD2 PRO 39 2HD PRO 39 0.090 -7.365 4.631
339 HD3 PRO 39 1HD PRO 39 -1.265 -8.430 4.181
340 H GLU 40 H GLU 40 -4.830 -4.689 6.024
341 HA GLU 40 HA GLU 40 -3.783 -2.100 6.160
342 HB2 GLU 40 2HB GLU 40 -6.151 -2.424 6.067
343 HB3 GLU 40 1HB GLU 40 -6.154 -3.437 7.495
344 HG2 GLU 40 2HG GLU 40 -5.300 -0.580 7.841
345 HG3 GLU 40 1HG GLU 40 -7.005 -0.884 7.522
346 H GLU 41 H GLU 41 -3.752 -4.667 8.584
347 HA GLU 41 HA GLU 41 -2.890 -3.234 10.857
348 HB2 GLU 41 2HB GLU 41 -2.083 -5.439 11.691
349 HB3 GLU 41 1HB GLU 41 -3.698 -5.553 11.005
350 HG2 GLU 41 2HG GLU 41 -2.851 -6.584 8.987
351 HG3 GLU 41 1HG GLU 41 -1.185 -6.304 9.480
352 H ASN 42 H ASN 42 -1.125 -4.513 8.086
353 HA ASN 42 HA ASN 42 1.538 -4.091 9.116
354 HB2 ASN 42 2HB ASN 42 0.847 -5.847 7.363
355 HB3 ASN 42 1HB ASN 42 0.684 -4.533 6.213
356 HD21 ASN 42 1HD2 ASN 42 2.246 -5.736 4.984
357 HD22 ASN 42 2HD2 ASN 42 3.922 -5.567 5.325
358 H ILE 43 H ILE 43 -0.859 -2.134 7.648
359 HA ILE 43 HA ILE 43 1.056 0.015 6.956
360 HB ILE 43 HB ILE 43 -1.836 -0.251 6.011
361 HG12 ILE 43 2HG1 ILE 43 -0.535 -2.115 5.047
362 HG13 ILE 43 1HG1 ILE 43 -0.930 -0.945 3.795
363 HG21 ILE 43 1HG2 ILE 43 -1.033 2.066 5.995
364 HG22 ILE 43 2HG2 ILE 43 -1.188 1.472 4.345
365 HG23 ILE 43 3HG2 ILE 43 0.408 1.596 5.083
366 HD11 ILE 43 3HD1 ILE 43 1.318 -1.786 3.536
367 HD12 ILE 43 1HD1 ILE 43 1.743 -1.246 5.162
368 HD13 ILE 43 2HD1 ILE 43 1.351 -0.064 3.909
369 H LEU 44 H LEU 44 1.055 0.129 9.381
370 HA LEU 44 HA LEU 44 -1.261 1.348 10.675
371 HG LEU 44 HG LEU 44 0.342 2.164 13.339
372 HB2 LEU 44 2HB LEU 44 0.079 -0.440 11.781
373 HB3 LEU 44 1HB LEU 44 1.474 0.622 11.787
374 HD11 LEU 44 1HD1 LEU 44 -1.837 1.601 14.355
375 HD12 LEU 44 2HD1 LEU 44 -2.008 0.254 13.226
376 HD13 LEU 44 3HD1 LEU 44 -1.961 1.911 12.624
377 HD21 LEU 44 3HD2 LEU 44 0.306 0.739 15.335
378 HD22 LEU 44 1HD2 LEU 44 1.666 0.335 14.289
379 HD23 LEU 44 2HD2 LEU 44 0.240 -0.707 14.322
380 H ASP 45 H ASP 45 1.605 2.344 9.103
381 HA ASP 45 HA ASP 45 2.109 4.822 10.406
382 HB2 ASP 45 2HB ASP 45 3.719 3.521 8.938
383 HB3 ASP 45 1HB ASP 45 2.791 4.051 7.542
384 HA PRO 46 HA PRO 46 -1.704 6.669 8.861
385 HB2 PRO 46 2HB PRO 46 -1.420 9.202 9.893
386 HB3 PRO 46 1HB PRO 46 -1.839 7.800 10.888
387 HG2 PRO 46 2HG PRO 46 0.876 9.048 10.438
388 HG3 PRO 46 1HG PRO 46 0.118 8.573 11.972
389 HD2 PRO 46 2HD PRO 46 1.941 6.990 10.765
390 HD3 PRO 46 1HD PRO 46 0.538 6.286 11.613
391 H ARG 47 H ARG 47 1.466 7.978 8.043
392 HA ARG 47 HA ARG 47 0.617 9.947 6.162
393 HE ARG 47 HE ARG 47 4.934 10.294 4.960
394 HB2 ARG 47 2HB ARG 47 2.884 10.215 5.573
395 HB3 ARG 47 1HB ARG 47 2.959 9.684 7.247
396 HG2 ARG 47 2HG ARG 47 3.403 7.335 6.372
397 HG3 ARG 47 1HG ARG 47 3.562 8.043 4.763
398 HD2 ARG 47 2HD ARG 47 5.276 8.651 7.196
399 HD3 ARG 47 1HD ARG 47 5.760 7.731 5.769
400 HH11 ARG 47 1HH1 ARG 47 7.619 8.763 6.642
401 HH12 ARG 47 2HH1 ARG 47 8.728 10.044 6.274
402 HH21 ARG 47 1HH2 ARG 47 6.384 11.940 4.474
403 HH22 ARG 47 2HH2 ARG 47 8.025 11.852 5.021
404 H LEU 48 H LEU 48 1.178 6.498 5.964
405 HA LEU 48 HA LEU 48 0.938 6.217 3.112
406 HG LEU 48 HG LEU 48 2.815 5.047 5.497
407 HB2 LEU 48 2HB LEU 48 0.500 4.154 5.307
408 HB3 LEU 48 1HB LEU 48 0.768 3.811 3.603
409 HD11 LEU 48 1HD1 LEU 48 2.447 2.709 6.037
410 HD12 LEU 48 2HD1 LEU 48 4.021 2.906 5.271
411 HD13 LEU 48 3HD1 LEU 48 2.670 2.242 4.349
412 HD21 LEU 48 3HD2 LEU 48 3.123 5.884 3.224
413 HD22 LEU 48 1HD2 LEU 48 3.108 4.239 2.583
414 HD23 LEU 48 2HD2 LEU 48 4.420 4.769 3.639
415 H LEU 49 H LEU 49 -1.213 6.021 5.909
416 HA LEU 49 HA LEU 49 -3.594 5.283 4.554
417 HG LEU 49 HG LEU 49 -2.201 4.515 7.331
418 HB2 LEU 49 2HB LEU 49 -3.261 6.756 7.189
419 HB3 LEU 49 1HB LEU 49 -4.757 6.026 6.623
420 HD11 LEU 49 1HD1 LEU 49 -4.846 4.646 8.811
421 HD12 LEU 49 2HD1 LEU 49 -3.322 5.383 9.314
422 HD13 LEU 49 3HD1 LEU 49 -3.463 3.629 9.236
423 HD21 LEU 49 3HD2 LEU 49 -4.887 3.412 6.429
424 HD22 LEU 49 1HD2 LEU 49 -3.521 2.453 7.012
425 HD23 LEU 49 2HD2 LEU 49 -3.376 3.372 5.518
426 H ILE 50 H ILE 50 -1.960 8.376 4.896
427 HA ILE 50 HA ILE 50 -4.073 10.077 4.046
428 HB ILE 50 HB ILE 50 -1.089 10.440 3.499
429 HG12 ILE 50 2HG1 ILE 50 -1.385 10.260 5.896
430 HG13 ILE 50 1HG1 ILE 50 -1.110 11.950 5.516
431 HG21 ILE 50 1HG2 ILE 50 -1.608 12.850 3.281
432 HG22 ILE 50 2HG2 ILE 50 -3.327 12.501 3.462
433 HG23 ILE 50 3HG2 ILE 50 -2.445 11.889 2.060
434 HD11 ILE 50 3HD1 ILE 50 -2.781 11.713 7.221
435 HD12 ILE 50 1HD1 ILE 50 -3.758 10.674 6.184
436 HD13 ILE 50 2HD1 ILE 50 -3.518 12.373 5.762
437 H ALA 51 H ALA 51 -1.585 8.230 2.274
438 HA ALA 51 HA ALA 51 -2.329 8.979 -0.356
439 HB1 ALA 51 1HB ALA 51 -1.034 7.021 -1.097
440 HB2 ALA 51 2HB ALA 51 -0.996 6.405 0.558
441 HB3 ALA 51 3HB ALA 51 -0.168 7.912 0.157
442 H PHE 52 H PHE 52 -3.386 6.309 1.742
443 HA PHE 52 HA PHE 52 -5.253 4.998 0.135
444 HD1 PHE 52 2HD PHE 52 -7.259 3.063 1.399
445 HD2 PHE 52 1HD PHE 52 -6.734 6.091 4.372
446 HE1 PHE 52 2HE PHE 52 -9.521 2.668 2.242
447 HE2 PHE 52 1HE PHE 52 -9.012 5.674 5.189
448 HZ PHE 52 HZ PHE 52 -10.407 3.964 4.118
449 HB2 PHE 52 2HB PHE 52 -4.931 3.911 2.168
450 HB3 PHE 52 1HB PHE 52 -4.864 5.401 3.084
451 H GLN 53 H GLN 53 -5.766 7.822 2.267
452 HA GLN 53 HA GLN 53 -8.498 8.221 1.672
453 HB2 GLN 53 2HB GLN 53 -6.411 10.129 2.790
454 HB3 GLN 53 1HB GLN 53 -8.122 10.526 2.676
455 HG2 GLN 53 2HG GLN 53 -7.058 8.158 4.242
456 HG3 GLN 53 1HG GLN 53 -7.337 9.751 4.943
457 HE21 GLN 53 1HE2 GLN 53 -8.800 8.712 6.414
458 HE22 GLN 53 2HE2 GLN 53 -10.400 8.291 5.920
459 H ASN 54 H ASN 54 -5.546 9.444 0.164
460 HA ASN 54 HA ASN 54 -6.655 11.418 -1.522
461 HB2 ASN 54 2HB ASN 54 -4.151 9.698 -1.848
462 HB3 ASN 54 1HB ASN 54 -4.577 10.982 -2.980
463 HD21 ASN 54 1HD2 ASN 54 -2.260 10.698 -1.168
464 HD22 ASN 54 2HD2 ASN 54 -2.246 12.130 -0.203
465 H ARG 55 H ARG 55 -6.114 7.925 -2.011
466 HA ARG 55 HA ARG 55 -7.138 7.728 -4.655
467 HE ARG 55 HE ARG 55 -2.917 5.210 -4.730
468 HB2 ARG 55 2HB ARG 55 -6.550 5.761 -2.446
469 HB3 ARG 55 1HB ARG 55 -7.564 5.206 -3.770
470 HG2 ARG 55 2HG ARG 55 -5.160 4.626 -4.044
471 HG3 ARG 55 1HG ARG 55 -5.813 5.567 -5.380
472 HD2 ARG 55 2HD ARG 55 -4.679 7.561 -4.607
473 HD3 ARG 55 1HD ARG 55 -4.175 6.759 -3.120
474 HH11 ARG 55 1HH1 ARG 55 -3.380 8.621 -5.393
475 HH12 ARG 55 2HH1 ARG 55 -1.847 8.795 -6.176
476 HH21 ARG 55 1HH2 ARG 55 -0.894 5.445 -5.716
477 HH22 ARG 55 2HH2 ARG 55 -0.434 6.981 -6.367
478 H GLU 56 H GLU 56 -8.721 7.712 -1.491
479 HA GLU 56 HA GLU 56 -11.297 6.830 -2.363
480 HB2 GLU 56 2HB GLU 56 -10.559 8.509 0.075
481 HB3 GLU 56 1HB GLU 56 -12.113 7.718 -0.172
482 HG2 GLU 56 2HG GLU 56 -9.429 6.360 0.231
483 HG3 GLU 56 1HG GLU 56 -10.753 6.442 1.388
484 H ARG 57 H ARG 57 -9.680 9.952 -2.375
485 HA ARG 57 HA ARG 57 -12.131 11.483 -2.818
486 HE ARG 57 HE ARG 57 -10.176 12.122 1.533
487 HB2 ARG 57 2HB ARG 57 -9.270 12.513 -3.036
488 HB3 ARG 57 1HB ARG 57 -10.734 13.462 -2.832
489 HG2 ARG 57 2HG ARG 57 -9.318 11.754 -0.782
490 HG3 ARG 57 1HG ARG 57 -9.615 13.487 -0.736
491 HD2 ARG 57 2HD ARG 57 -12.025 13.069 -0.471
492 HD3 ARG 57 1HD ARG 57 -11.739 11.328 -0.528
493 HH11 ARG 57 1HH1 ARG 57 -13.566 12.721 0.833
494 HH12 ARG 57 2HH1 ARG 57 -14.026 12.769 2.503
495 HH21 ARG 57 1HH2 ARG 57 -10.780 12.198 3.708
496 HH22 ARG 57 2HH2 ARG 57 -12.434 12.476 4.142
497 H GLN 58 H GLN 58 -9.150 10.761 -4.627
498 HA GLN 58 HA GLN 58 -10.003 12.226 -6.957
499 HB2 GLN 58 2HB GLN 58 -7.799 11.747 -7.838
500 HB3 GLN 58 1HB GLN 58 -7.636 12.159 -6.138
501 HG2 GLN 58 2HG GLN 58 -7.625 9.603 -5.719
502 HG3 GLN 58 1HG GLN 58 -7.335 9.450 -7.448
503 HE21 GLN 58 1HE2 GLN 58 -5.634 11.867 -7.562
504 HE22 GLN 58 2HE2 GLN 58 -4.151 11.428 -6.803
505 H GLU 59 H GLU 59 -10.264 11.416 -9.043
506 HA GLU 59 HA GLU 59 -11.099 8.586 -9.316
507 HB2 GLU 59 2HB GLU 59 -12.325 9.405 -11.355
508 HB3 GLU 59 1HB GLU 59 -12.906 10.109 -9.852
509 HG2 GLU 59 2HG GLU 59 -11.813 12.205 -10.314
510 HG3 GLU 59 1HG GLU 59 -10.962 11.523 -11.695
511 H GLN 60 H GLN 60 -10.478 7.493 -11.291
512 HA GLN 60 HA GLN 60 -7.941 8.465 -12.493
513 HB2 GLN 60 2HB GLN 60 -8.738 5.563 -11.973
514 HB3 GLN 60 1HB GLN 60 -7.230 6.109 -12.700
515 HG2 GLN 60 2HG GLN 60 -8.134 6.569 -9.842
516 HG3 GLN 60 1HG GLN 60 -6.853 5.489 -10.378
517 HE21 GLN 60 1HE2 GLN 60 -5.695 7.403 -12.285
518 HE22 GLN 60 2HE2 GLN 60 -4.916 8.616 -11.341
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 26.888 -5.774 4.915
2 H2 GLY 1 2HT GLY 1 26.645 -4.326 4.078
3 H3 GLY 1 3HT GLY 1 26.503 -5.801 3.270
4 HA2 GLY 1 1HA GLY 1 24.604 -6.387 4.652
5 HA3 GLY 1 2HA GLY 1 24.735 -4.811 5.422
6 H SER 2 H SER 2 22.374 -5.254 4.426
7 HA SER 2 HA SER 2 21.959 -4.928 1.634
8 HG SER 2 HG SER 2 18.670 -5.319 1.920
9 HB2 SER 2 2HB SER 2 20.303 -6.084 3.018
10 HB3 SER 2 1HB SER 2 20.033 -4.638 3.981
11 H GLU 3 H GLU 3 21.193 -3.224 0.497
12 HA GLU 3 HA GLU 3 21.076 -0.518 1.686
13 HB2 GLU 3 2HB GLU 3 22.219 0.321 -0.420
14 HB3 GLU 3 1HB GLU 3 23.252 -0.626 0.643
15 HG2 GLU 3 2HG GLU 3 23.028 -2.581 -0.811
16 HG3 GLU 3 1HG GLU 3 21.901 -1.710 -1.854
17 H HIS 4 H HIS 4 19.171 -2.722 0.680
18 HA HIS 4 HA HIS 4 17.335 -0.962 -0.724
19 HD1 HIS 4 1HD HIS 4 17.125 -0.256 -3.505
20 HD2 HIS 4 2HD HIS 4 15.601 -4.108 -3.251
21 HE1 HIS 4 1HE HIS 4 15.132 -0.292 -5.021
22 HE2 HIS 4 2HE HIS 4 14.386 -2.685 -5.033
23 HB2 HIS 4 2HB HIS 4 18.797 -2.135 -2.517
24 HB3 HIS 4 1HB HIS 4 18.026 -3.642 -2.026
25 H VAL 5 H VAL 5 17.070 -1.619 1.759
26 HA VAL 5 HA VAL 5 15.608 -4.026 2.324
27 HB VAL 5 HB VAL 5 15.901 -1.417 3.902
28 HG11 VAL 5 1HG1 VAL 5 15.042 -2.641 5.885
29 HG12 VAL 5 2HG1 VAL 5 14.689 -4.042 4.874
30 HG13 VAL 5 3HG1 VAL 5 13.817 -2.529 4.618
31 HG21 VAL 5 3HG2 VAL 5 18.017 -2.646 3.590
32 HG22 VAL 5 1HG2 VAL 5 17.279 -4.108 4.258
33 HG23 VAL 5 2HG2 VAL 5 17.510 -2.688 5.280
34 H PHE 6 H PHE 6 13.414 -4.327 2.337
35 HA PHE 6 HA PHE 6 11.741 -2.700 0.744
36 HD1 PHE 6 2HD PHE 6 10.023 -4.449 -0.887
37 HD2 PHE 6 1HD PHE 6 12.787 -6.541 1.618
38 HE1 PHE 6 2HE PHE 6 10.657 -5.886 -2.777
39 HE2 PHE 6 1HE PHE 6 13.414 -7.975 -0.280
40 HZ PHE 6 HZ PHE 6 12.349 -7.645 -2.476
41 HB2 PHE 6 2HB PHE 6 11.138 -5.036 2.596
42 HB3 PHE 6 1HB PHE 6 9.914 -4.272 1.591
43 H ALA 7 H ALA 7 10.773 -0.876 1.256
44 HA ALA 7 HA ALA 7 9.377 -0.507 3.815
45 HB1 ALA 7 1HB ALA 7 11.569 0.605 4.152
46 HB2 ALA 7 2HB ALA 7 10.257 1.780 4.116
47 HB3 ALA 7 3HB ALA 7 11.305 1.587 2.710
48 H VAL 8 H VAL 8 7.466 0.605 3.551
49 HA VAL 8 HA VAL 8 6.455 0.768 0.851
50 HB VAL 8 HB VAL 8 4.972 1.479 3.427
51 HG11 VAL 8 1HG1 VAL 8 3.900 0.702 0.676
52 HG12 VAL 8 2HG1 VAL 8 3.863 2.320 1.380
53 HG13 VAL 8 3HG1 VAL 8 2.918 1.022 2.112
54 HG21 VAL 8 3HG2 VAL 8 5.109 -1.234 2.041
55 HG22 VAL 8 1HG2 VAL 8 4.075 -0.828 3.417
56 HG23 VAL 8 2HG2 VAL 8 5.831 -0.829 3.601
57 H GLU 9 H GLU 9 5.877 2.542 -0.247
58 HA GLU 9 HA GLU 9 6.835 5.174 0.617
59 HB2 GLU 9 2HB GLU 9 7.837 4.395 -1.467
60 HB3 GLU 9 1HB GLU 9 6.260 4.024 -2.146
61 HG2 GLU 9 2HG GLU 9 7.150 6.042 -3.155
62 HG3 GLU 9 1HG GLU 9 5.712 6.429 -2.216
63 H SER 10 H SER 10 4.025 3.507 -0.826
64 HA SER 10 HA SER 10 2.144 5.429 0.185
65 HG SER 10 HG SER 10 0.654 5.702 -2.878
66 HB2 SER 10 2HB SER 10 2.950 6.760 -1.703
67 HB3 SER 10 1HB SER 10 2.766 5.396 -2.801
68 H ILE 11 H ILE 11 -0.064 4.827 -0.247
69 HA ILE 11 HA ILE 11 -0.511 2.061 -1.160
70 HB ILE 11 HB ILE 11 -2.427 4.083 0.114
71 HG12 ILE 11 2HG1 ILE 11 -1.154 1.544 1.245
72 HG13 ILE 11 1HG1 ILE 11 -0.732 3.194 1.693
73 HG21 ILE 11 1HG2 ILE 11 -2.987 1.186 -0.650
74 HG22 ILE 11 2HG2 ILE 11 -3.673 2.613 -1.430
75 HG23 ILE 11 3HG2 ILE 11 -4.082 2.242 0.246
76 HD11 ILE 11 3HD1 ILE 11 -2.975 3.489 2.659
77 HD12 ILE 11 1HD1 ILE 11 -2.093 2.153 3.395
78 HD13 ILE 11 2HD1 ILE 11 -3.372 1.822 2.230
79 H GLU 12 H GLU 12 -0.968 1.748 -3.235
80 HA GLU 12 HA GLU 12 -1.429 3.981 -5.059
81 HB2 GLU 12 2HB GLU 12 -0.987 1.022 -5.675
82 HB3 GLU 12 1HB GLU 12 -0.896 2.357 -6.825
83 HG2 GLU 12 2HG GLU 12 0.979 1.907 -4.477
84 HG3 GLU 12 1HG GLU 12 1.330 1.523 -6.163
85 H LYS 13 H LYS 13 -2.983 0.945 -4.108
86 HA LYS 13 HA LYS 13 -5.617 1.969 -4.885
87 HB2 LYS 13 2HB LYS 13 -4.495 -0.719 -5.813
88 HB3 LYS 13 1HB LYS 13 -6.207 -0.307 -5.867
89 HG2 LYS 13 2HG LYS 13 -5.733 1.504 -7.472
90 HG3 LYS 13 1HG LYS 13 -4.009 1.129 -7.398
91 HD2 LYS 13 2HD LYS 13 -6.162 -0.794 -8.367
92 HD3 LYS 13 1HD LYS 13 -5.146 0.192 -9.418
93 HE2 LYS 13 2HE LYS 13 -3.144 -0.966 -8.519
94 HE3 LYS 13 1HE LYS 13 -4.200 -1.981 -7.533
95 HZ1 LYS 13 3HZ LYS 13 -4.217 -1.834 -10.487
96 HZ2 LYS 13 1HZ LYS 13 -5.207 -2.822 -9.542
97 HZ3 LYS 13 2HZ LYS 13 -3.536 -3.070 -9.563
98 H LYS 14 H LYS 14 -7.355 0.729 -3.881
99 HA LYS 14 HA LYS 14 -6.667 -0.960 -1.598
100 HB2 LYS 14 2HB LYS 14 -6.865 0.668 -0.013
101 HB3 LYS 14 1HB LYS 14 -7.047 1.873 -1.258
102 HG2 LYS 14 2HG LYS 14 -8.851 2.255 0.173
103 HG3 LYS 14 1HG LYS 14 -9.566 1.359 -1.166
104 HD2 LYS 14 2HD LYS 14 -9.420 -0.730 0.247
105 HD3 LYS 14 1HD LYS 14 -8.844 0.263 1.586
106 HE2 LYS 14 2HE LYS 14 -11.299 -0.263 1.688
107 HE3 LYS 14 1HE LYS 14 -10.950 1.465 1.677
108 HZ1 LYS 14 3HZ LYS 14 -12.799 0.813 0.212
109 HZ2 LYS 14 1HZ LYS 14 -11.730 -0.097 -0.729
110 HZ3 LYS 14 2HZ LYS 14 -11.548 1.586 -0.625
111 H ARG 15 H ARG 15 -8.264 -2.349 -1.046
112 HA ARG 15 HA ARG 15 -11.068 -1.830 -1.563
113 HE ARG 15 HE ARG 15 -8.885 -3.415 -5.338
114 HB2 ARG 15 2HB ARG 15 -11.547 -3.926 -2.771
115 HB3 ARG 15 1HB ARG 15 -10.447 -2.930 -3.721
116 HG2 ARG 15 2HG ARG 15 -9.330 -5.067 -1.899
117 HG3 ARG 15 1HG ARG 15 -10.008 -5.530 -3.463
118 HD2 ARG 15 2HD ARG 15 -7.853 -3.415 -3.141
119 HD3 ARG 15 1HD ARG 15 -7.490 -5.132 -3.363
120 HH11 ARG 15 1HH1 ARG 15 -6.856 -6.198 -4.609
121 HH12 ARG 15 2HH1 ARG 15 -6.643 -6.615 -6.278
122 HH21 ARG 15 1HH2 ARG 15 -8.560 -3.967 -7.514
123 HH22 ARG 15 2HH2 ARG 15 -7.607 -5.353 -7.920
124 H ILE 16 H ILE 16 -12.406 -3.113 -0.246
125 HA ILE 16 HA ILE 16 -11.109 -4.974 1.656
126 HB ILE 16 HB ILE 16 -13.909 -3.731 1.701
127 HG12 ILE 16 2HG1 ILE 16 -11.541 -3.442 3.563
128 HG13 ILE 16 1HG1 ILE 16 -12.050 -2.224 2.397
129 HG21 ILE 16 1HG2 ILE 16 -14.261 -4.902 3.872
130 HG22 ILE 16 2HG2 ILE 16 -12.725 -5.747 3.671
131 HG23 ILE 16 3HG2 ILE 16 -14.050 -6.050 2.547
132 HD11 ILE 16 3HD1 ILE 16 -14.159 -1.957 3.667
133 HD12 ILE 16 1HD1 ILE 16 -12.725 -1.595 4.623
134 HD13 ILE 16 2HD1 ILE 16 -13.570 -3.125 4.855
135 H ARG 17 H ARG 17 -11.576 -7.106 1.576
136 HA ARG 17 HA ARG 17 -13.741 -8.065 -0.095
137 HE ARG 17 HE ARG 17 -13.012 -7.935 -3.331
138 HB2 ARG 17 2HB ARG 17 -11.633 -7.958 -1.520
139 HB3 ARG 17 1HB ARG 17 -10.909 -9.149 -0.449
140 HG2 ARG 17 2HG ARG 17 -11.790 -10.138 -2.556
141 HG3 ARG 17 1HG ARG 17 -12.546 -10.826 -1.116
142 HD2 ARG 17 2HD ARG 17 -14.151 -10.331 -3.001
143 HD3 ARG 17 1HD ARG 17 -14.561 -9.557 -1.467
144 HH11 ARG 17 1HH1 ARG 17 -16.253 -8.730 -2.200
145 HH12 ARG 17 2HH1 ARG 17 -16.931 -7.231 -2.754
146 HH21 ARG 17 1HH2 ARG 17 -13.929 -5.973 -4.012
147 HH22 ARG 17 2HH2 ARG 17 -15.621 -5.682 -3.781
148 H LYS 18 H LYS 18 -14.879 -9.253 1.220
149 HA LYS 18 HA LYS 18 -15.605 -10.831 2.635
150 HB2 LYS 18 2HB LYS 18 -12.891 -12.121 2.137
151 HB3 LYS 18 1HB LYS 18 -14.286 -12.928 2.856
152 HG2 LYS 18 2HG LYS 18 -15.557 -12.595 0.753
153 HG3 LYS 18 1HG LYS 18 -14.152 -11.791 0.041
154 HD2 LYS 18 2HD LYS 18 -12.843 -13.883 0.242
155 HD3 LYS 18 1HD LYS 18 -14.234 -14.688 0.983
156 HE2 LYS 18 2HE LYS 18 -15.536 -14.335 -1.097
157 HE3 LYS 18 1HE LYS 18 -14.134 -13.552 -1.838
158 HZ1 LYS 18 3HZ LYS 18 -14.254 -16.355 -0.877
159 HZ2 LYS 18 1HZ LYS 18 -12.911 -15.614 -1.584
160 HZ3 LYS 18 2HZ LYS 18 -14.314 -15.858 -2.493
161 H GLY 19 H GLY 19 -14.460 -8.507 3.726
162 HA2 GLY 19 2HA GLY 19 -14.345 -7.697 5.882
163 HA3 GLY 19 1HA GLY 19 -14.202 -9.340 6.486
164 H ARG 20 H ARG 20 -11.997 -8.516 3.988
165 HA ARG 20 HA ARG 20 -9.837 -7.798 5.877
166 HE ARG 20 HE ARG 20 -9.610 -13.142 6.359
167 HB2 ARG 20 2HB ARG 20 -9.588 -9.768 3.556
168 HB3 ARG 20 1HB ARG 20 -8.246 -9.147 4.520
169 HG2 ARG 20 2HG ARG 20 -9.257 -10.249 6.541
170 HG3 ARG 20 1HG ARG 20 -10.493 -10.950 5.486
171 HD2 ARG 20 2HD ARG 20 -8.712 -12.095 4.187
172 HD3 ARG 20 1HD ARG 20 -7.493 -11.397 5.264
173 HH11 ARG 20 1HH1 ARG 20 -6.187 -12.533 5.839
174 HH12 ARG 20 2HH1 ARG 20 -5.681 -13.934 6.726
175 HH21 ARG 20 1HH2 ARG 20 -8.917 -15.003 7.491
176 HH22 ARG 20 2HH2 ARG 20 -7.225 -15.333 7.653
177 H VAL 21 H VAL 21 -9.255 -5.810 5.337
178 HA VAL 21 HA VAL 21 -9.465 -4.794 2.621
179 HB VAL 21 HB VAL 21 -10.043 -3.313 4.509
180 HG11 VAL 21 1HG1 VAL 21 -8.337 -2.361 6.006
181 HG12 VAL 21 2HG1 VAL 21 -7.132 -3.457 5.326
182 HG13 VAL 21 3HG1 VAL 21 -8.506 -4.107 6.221
183 HG21 VAL 21 3HG2 VAL 21 -8.795 -1.310 3.770
184 HG22 VAL 21 1HG2 VAL 21 -9.311 -2.305 2.404
185 HG23 VAL 21 2HG2 VAL 21 -7.629 -2.346 2.943
186 H GLU 22 H GLU 22 -7.834 -4.675 1.206
187 HA GLU 22 HA GLU 22 -5.061 -5.299 2.035
188 HB2 GLU 22 2HB GLU 22 -4.791 -6.408 -0.221
189 HB3 GLU 22 1HB GLU 22 -5.934 -7.236 0.839
190 HG2 GLU 22 2HG GLU 22 -7.815 -6.167 -0.340
191 HG3 GLU 22 1HG GLU 22 -6.679 -5.332 -1.394
192 H TYR 23 H TYR 23 -3.451 -4.192 0.921
193 HA TYR 23 HA TYR 23 -4.240 -1.724 -0.515
194 HD1 TYR 23 1HD TYR 23 -5.385 -0.295 0.547
195 HD2 TYR 23 2HD TYR 23 -3.104 -1.404 3.987
196 HE1 TYR 23 1HE TYR 23 -7.121 0.610 2.005
197 HE2 TYR 23 2HE TYR 23 -4.868 -0.507 5.447
198 HH TYR 23 HH TYR 23 -6.688 1.249 5.241
199 HB2 TYR 23 2HB TYR 23 -2.291 -1.978 1.825
200 HB3 TYR 23 1HB TYR 23 -2.481 -0.526 0.846
201 H LEU 24 H LEU 24 -3.032 -1.392 -2.318
202 HA LEU 24 HA LEU 24 -0.817 -3.122 -2.969
203 HG LEU 24 HG LEU 24 0.468 -1.812 -5.235
204 HB2 LEU 24 2HB LEU 24 -2.506 -2.088 -4.647
205 HB3 LEU 24 1HB LEU 24 -1.611 -0.587 -4.463
206 HD11 LEU 24 1HD1 LEU 24 0.249 -3.957 -6.367
207 HD12 LEU 24 2HD1 LEU 24 -1.464 -4.034 -5.943
208 HD13 LEU 24 3HD1 LEU 24 -0.231 -4.100 -4.675
209 HD21 LEU 24 3HD2 LEU 24 -0.107 -1.825 -7.612
210 HD22 LEU 24 1HD2 LEU 24 -0.790 -0.417 -6.800
211 HD23 LEU 24 2HD2 LEU 24 -1.824 -1.786 -7.210
212 H VAL 25 H VAL 25 1.001 -2.808 -1.807
213 HA VAL 25 HA VAL 25 1.718 -0.190 -0.758
214 HB VAL 25 HB VAL 25 3.404 -1.354 0.602
215 HG11 VAL 25 1HG1 VAL 25 1.092 -1.264 1.448
216 HG12 VAL 25 2HG1 VAL 25 1.901 -2.732 1.994
217 HG13 VAL 25 3HG1 VAL 25 0.724 -2.813 0.679
218 HG21 VAL 25 3HG2 VAL 25 4.136 -3.112 -0.951
219 HG22 VAL 25 1HG2 VAL 25 2.574 -3.918 -0.821
220 HG23 VAL 25 2HG2 VAL 25 3.644 -3.832 0.580
221 H LYS 26 H LYS 26 3.013 1.116 -1.809
222 HA LYS 26 HA LYS 26 4.492 0.315 -4.138
223 HB2 LYS 26 2HB LYS 26 3.206 2.591 -3.655
224 HB3 LYS 26 1HB LYS 26 4.716 3.079 -2.902
225 HG2 LYS 26 2HG LYS 26 4.379 2.190 -5.797
226 HG3 LYS 26 1HG LYS 26 4.492 3.861 -5.247
227 HD2 LYS 26 2HD LYS 26 6.808 3.479 -4.491
228 HD3 LYS 26 1HD LYS 26 6.692 1.773 -4.937
229 HE2 LYS 26 2HE LYS 26 7.916 3.022 -6.646
230 HE3 LYS 26 1HE LYS 26 6.398 2.413 -7.306
231 HZ1 LYS 26 3HZ LYS 26 5.438 4.624 -6.953
232 HZ2 LYS 26 1HZ LYS 26 6.777 4.673 -7.989
233 HZ3 LYS 26 2HZ LYS 26 6.928 5.187 -6.387
234 H TRP 27 H TRP 27 6.100 -1.086 -3.380
235 HA TRP 27 HA TRP 27 7.903 -0.510 -1.278
236 HD1 TRP 27 HD TRP 27 6.575 -4.340 -3.419
237 HE1 TRP 27 1HE TRP 27 5.601 -5.672 -1.451
238 HE3 TRP 27 3HE TRP 27 8.606 -1.702 0.467
239 HZ2 TRP 27 2HZ TRP 27 5.675 -5.622 1.339
240 HZ3 TRP 27 3HZ TRP 27 8.079 -2.408 2.764
241 HH2 TRP 27 HH TRP 27 6.639 -4.333 3.189
242 HB2 TRP 27 2HB TRP 27 8.173 -2.345 -3.700
243 HB3 TRP 27 1HB TRP 27 9.352 -2.281 -2.395
244 H ARG 28 H ARG 28 9.621 0.809 -1.193
245 HA ARG 28 HA ARG 28 10.142 2.757 -3.169
246 HE ARG 28 HE ARG 28 13.404 0.639 1.444
247 HB2 ARG 28 2HB ARG 28 11.982 3.507 -1.698
248 HB3 ARG 28 1HB ARG 28 10.513 3.197 -0.781
249 HG2 ARG 28 2HG ARG 28 11.404 1.096 0.062
250 HG3 ARG 28 1HG ARG 28 12.821 1.233 -0.978
251 HD2 ARG 28 2HD ARG 28 13.507 3.272 0.284
252 HD3 ARG 28 1HD ARG 28 12.124 3.034 1.365
253 HH11 ARG 28 1HH1 ARG 28 14.490 3.913 2.081
254 HH12 ARG 28 2HH1 ARG 28 15.713 3.405 3.197
255 HH21 ARG 28 1HH2 ARG 28 14.999 -0.009 2.859
256 HH22 ARG 28 2HH2 ARG 28 16.024 1.164 3.614
257 H GLY 29 H GLY 29 11.664 2.903 -4.766
258 HA2 GLY 29 2HA GLY 29 13.402 2.355 -6.181
259 HA3 GLY 29 1HA GLY 29 13.974 1.189 -5.002
260 H TRP 30 H TRP 30 10.740 0.572 -5.600
261 HA TRP 30 HA TRP 30 11.335 -1.445 -7.682
262 HD1 TRP 30 HD TRP 30 11.100 -1.940 -3.373
263 HE1 TRP 30 1HE TRP 30 12.848 -3.746 -2.854
264 HE3 TRP 30 3HE TRP 30 11.214 -4.298 -7.904
265 HZ2 TRP 30 2HZ TRP 30 14.124 -5.872 -4.176
266 HZ3 TRP 30 3HZ TRP 30 12.733 -6.205 -8.199
267 HH2 TRP 30 HH TRP 30 14.163 -6.981 -6.374
268 HB2 TRP 30 2HB TRP 30 9.374 -1.570 -5.347
269 HB3 TRP 30 1HB TRP 30 9.408 -2.740 -6.662
270 H SER 31 H SER 31 9.843 -1.755 -9.299
271 HA SER 31 HA SER 31 8.321 0.494 -10.187
272 HG SER 31 HG SER 31 10.165 -0.159 -11.601
273 HB2 SER 31 2HB SER 31 8.416 -2.356 -11.285
274 HB3 SER 31 1HB SER 31 7.880 -0.922 -12.168
275 HA PRO 32 HA PRO 32 4.150 -0.236 -8.605
276 HB2 PRO 32 2HB PRO 32 2.630 -0.195 -11.005
277 HB3 PRO 32 1HB PRO 32 3.063 1.209 -10.023
278 HG2 PRO 32 2HG PRO 32 4.417 0.103 -12.471
279 HG3 PRO 32 1HG PRO 32 4.121 1.796 -12.024
280 HD2 PRO 32 2HD PRO 32 6.553 0.742 -11.739
281 HD3 PRO 32 1HD PRO 32 5.911 1.823 -10.476
282 H LYS 33 H LYS 33 5.234 -2.328 -11.241
283 HA LYS 33 HA LYS 33 3.263 -4.374 -10.924
284 HB2 LYS 33 2HB LYS 33 4.770 -5.753 -12.328
285 HB3 LYS 33 1HB LYS 33 4.511 -4.149 -13.006
286 HG2 LYS 33 2HG LYS 33 6.743 -3.457 -12.061
287 HG3 LYS 33 1HG LYS 33 7.006 -5.135 -11.570
288 HD2 LYS 33 2HD LYS 33 6.575 -4.168 -14.434
289 HD3 LYS 33 1HD LYS 33 8.136 -4.582 -13.719
290 HE2 LYS 33 2HE LYS 33 5.822 -6.530 -14.038
291 HE3 LYS 33 1HE LYS 33 7.176 -6.389 -15.160
292 HZ1 LYS 33 3HZ LYS 33 7.407 -8.192 -13.511
293 HZ2 LYS 33 1HZ LYS 33 7.478 -7.031 -12.282
294 HZ3 LYS 33 2HZ LYS 33 8.682 -7.080 -13.471
295 H TYR 34 H TYR 34 6.270 -3.684 -9.272
296 HA TYR 34 HA TYR 34 6.441 -6.267 -7.917
297 HD1 TYR 34 2HD TYR 34 8.844 -7.388 -8.103
298 HD2 TYR 34 1HD TYR 34 9.085 -3.516 -9.895
299 HE1 TYR 34 2HE TYR 34 10.177 -8.320 -9.932
300 HE2 TYR 34 1HE TYR 34 10.423 -4.457 -11.733
301 HH TYR 34 HH TYR 34 11.884 -6.404 -12.132
302 HB2 TYR 34 2HB TYR 34 8.125 -3.736 -7.711
303 HB3 TYR 34 1HB TYR 34 8.443 -5.199 -6.780
304 H ASN 35 H ASN 35 4.523 -3.650 -7.485
305 HA ASN 35 HA ASN 35 4.551 -3.343 -4.620
306 HB2 ASN 35 2HB ASN 35 2.501 -2.598 -6.750
307 HB3 ASN 35 1HB ASN 35 2.350 -2.167 -5.052
308 HD21 ASN 35 1HD2 ASN 35 5.585 -2.016 -6.341
309 HD22 ASN 35 2HD2 ASN 35 5.630 -0.307 -6.513
310 H THR 36 H THR 36 3.343 -4.497 -3.110
311 HA THR 36 HA THR 36 1.869 -6.878 -4.110
312 HB THR 36 HB THR 36 2.541 -7.958 -1.926
313 HG1 THR 36 1HG THR 36 3.390 -6.708 -0.456
314 HG21 THR 36 3HG2 THR 36 4.899 -8.385 -2.540
315 HG22 THR 36 1HG2 THR 36 4.868 -6.996 -3.628
316 HG23 THR 36 2HG2 THR 36 3.862 -8.406 -3.969
317 H TRP 37 H TRP 37 -0.095 -7.434 -3.180
318 HA TRP 37 HA TRP 37 -1.601 -5.425 -1.751
319 HD1 TRP 37 HD TRP 37 -1.970 -7.984 -5.211
320 HE1 TRP 37 1HE TRP 37 -2.939 -6.373 -6.962
321 HE3 TRP 37 3HE TRP 37 -4.212 -4.620 -2.085
322 HZ2 TRP 37 2HZ TRP 37 -4.415 -3.986 -7.021
323 HZ3 TRP 37 3HZ TRP 37 -5.367 -2.684 -3.068
324 HH2 TRP 37 HH TRP 37 -5.466 -2.388 -5.487
325 HB2 TRP 37 2HB TRP 37 -2.312 -8.268 -2.595
326 HB3 TRP 37 1HB TRP 37 -3.443 -7.155 -1.827
327 H GLU 38 H GLU 38 -1.197 -5.109 0.327
328 HA GLU 38 HA GLU 38 -0.910 -7.397 2.174
329 HB2 GLU 38 2HB GLU 38 0.561 -4.731 2.361
330 HB3 GLU 38 1HB GLU 38 0.740 -6.106 3.450
331 HG2 GLU 38 2HG GLU 38 1.518 -7.423 1.390
332 HG3 GLU 38 1HG GLU 38 1.632 -5.867 0.571
333 HA PRO 39 HA PRO 39 -4.448 -5.674 4.226
334 HB2 PRO 39 2HB PRO 39 -4.105 -6.703 6.777
335 HB3 PRO 39 1HB PRO 39 -4.652 -7.648 5.393
336 HG2 PRO 39 2HG PRO 39 -1.876 -7.401 6.533
337 HG3 PRO 39 1HG PRO 39 -2.749 -8.870 6.039
338 HD2 PRO 39 2HD PRO 39 -0.905 -7.751 4.437
339 HD3 PRO 39 1HD PRO 39 -2.383 -8.470 3.755
340 H GLU 40 H GLU 40 -5.125 -4.602 6.326
341 HA GLU 40 HA GLU 40 -3.991 -2.064 6.614
342 HB2 GLU 40 2HB GLU 40 -5.545 -1.791 8.530
343 HB3 GLU 40 1HB GLU 40 -6.334 -2.505 7.137
344 HG2 GLU 40 2HG GLU 40 -6.171 -4.747 8.172
345 HG3 GLU 40 1HG GLU 40 -5.368 -4.042 9.573
346 H GLU 41 H GLU 41 -3.415 -5.025 8.417
347 HA GLU 41 HA GLU 41 -2.109 -3.883 10.683
348 HB2 GLU 41 2HB GLU 41 -1.489 -6.196 11.249
349 HB3 GLU 41 1HB GLU 41 -3.176 -6.108 10.757
350 HG2 GLU 41 2HG GLU 41 -2.525 -6.936 8.497
351 HG3 GLU 41 1HG GLU 41 -0.866 -7.104 9.063
352 H ASN 42 H ASN 42 -1.044 -4.580 7.451
353 HA ASN 42 HA ASN 42 1.804 -4.422 8.074
354 HB2 ASN 42 2HB ASN 42 0.306 -4.435 5.424
355 HB3 ASN 42 1HB ASN 42 2.063 -4.388 5.561
356 HD21 ASN 42 1HD2 ASN 42 2.465 -6.343 4.635
357 HD22 ASN 42 2HD2 ASN 42 1.955 -7.858 5.285
358 H ILE 43 H ILE 43 -0.784 -2.241 7.289
359 HA ILE 43 HA ILE 43 1.055 0.009 6.800
360 HB ILE 43 HB ILE 43 -1.970 -0.135 6.442
361 HG12 ILE 43 2HG1 ILE 43 -0.816 -1.564 4.801
362 HG13 ILE 43 1HG1 ILE 43 -1.488 -0.153 3.996
363 HG21 ILE 43 1HG2 ILE 43 -1.284 2.168 6.932
364 HG22 ILE 43 2HG2 ILE 43 -1.747 2.033 5.237
365 HG23 ILE 43 3HG2 ILE 43 -0.040 2.096 5.680
366 HD11 ILE 43 3HD1 ILE 43 0.690 -0.726 3.132
367 HD12 ILE 43 1HD1 ILE 43 1.411 -0.558 4.729
368 HD13 ILE 43 2HD1 ILE 43 0.739 0.854 3.906
369 H LEU 44 H LEU 44 1.755 0.116 9.000
370 HA LEU 44 HA LEU 44 -0.098 1.625 10.755
371 HG LEU 44 HG LEU 44 0.934 -0.825 13.402
372 HB2 LEU 44 2HB LEU 44 2.256 -0.167 11.403
373 HB3 LEU 44 1HB LEU 44 1.915 1.178 12.469
374 HD11 LEU 44 1HD1 LEU 44 -1.277 0.914 12.285
375 HD12 LEU 44 2HD1 LEU 44 -0.313 1.254 13.724
376 HD13 LEU 44 3HD1 LEU 44 -1.381 -0.146 13.695
377 HD21 LEU 44 3HD2 LEU 44 -0.781 -2.158 12.270
378 HD22 LEU 44 1HD2 LEU 44 0.735 -2.168 11.369
379 HD23 LEU 44 2HD2 LEU 44 -0.612 -1.170 10.815
380 H ASP 45 H ASP 45 0.308 3.308 9.130
381 HA ASP 45 HA ASP 45 2.237 5.197 10.098
382 HB2 ASP 45 2HB ASP 45 3.725 3.961 8.603
383 HB3 ASP 45 1HB ASP 45 2.573 4.078 7.280
384 HA PRO 46 HA PRO 46 -1.426 7.479 8.954
385 HB2 PRO 46 2HB PRO 46 -0.629 10.028 9.554
386 HB3 PRO 46 1HB PRO 46 -0.946 8.812 10.802
387 HG2 PRO 46 2HG PRO 46 1.706 9.616 9.581
388 HG3 PRO 46 1HG PRO 46 1.287 9.440 11.299
389 HD2 PRO 46 2HD PRO 46 2.579 7.481 9.952
390 HD3 PRO 46 1HD PRO 46 1.378 7.095 11.210
391 H ARG 47 H ARG 47 1.643 8.180 7.393
392 HA ARG 47 HA ARG 47 0.723 10.141 5.495
393 HE ARG 47 HE ARG 47 5.155 11.252 4.787
394 HB2 ARG 47 2HB ARG 47 3.111 8.277 5.184
395 HB3 ARG 47 1HB ARG 47 2.872 9.838 4.401
396 HG2 ARG 47 2HG ARG 47 3.257 11.015 6.464
397 HG3 ARG 47 1HG ARG 47 3.189 9.517 7.402
398 HD2 ARG 47 2HD ARG 47 5.513 10.271 7.111
399 HD3 ARG 47 1HD ARG 47 5.249 8.718 6.310
400 HH11 ARG 47 1HH1 ARG 47 6.566 8.058 5.205
401 HH12 ARG 47 2HH1 ARG 47 7.533 8.169 3.774
402 HH21 ARG 47 1HH2 ARG 47 6.420 11.371 2.908
403 HH22 ARG 47 2HH2 ARG 47 7.461 10.053 2.480
404 H LEU 48 H LEU 48 1.264 6.648 5.461
405 HA LEU 48 HA LEU 48 0.431 6.055 2.820
406 HG LEU 48 HG LEU 48 2.614 4.992 4.951
407 HB2 LEU 48 2HB LEU 48 0.261 4.307 5.310
408 HB3 LEU 48 1HB LEU 48 0.165 3.730 3.651
409 HD11 LEU 48 1HD1 LEU 48 3.623 2.772 4.863
410 HD12 LEU 48 2HD1 LEU 48 2.133 2.092 4.204
411 HD13 LEU 48 3HD1 LEU 48 2.155 2.758 5.839
412 HD21 LEU 48 3HD2 LEU 48 3.812 4.359 2.901
413 HD22 LEU 48 1HD2 LEU 48 2.531 5.525 2.582
414 HD23 LEU 48 2HD2 LEU 48 2.296 3.823 2.172
415 H LEU 49 H LEU 49 -1.323 6.516 5.843
416 HA LEU 49 HA LEU 49 -3.902 5.653 4.924
417 HG LEU 49 HG LEU 49 -2.181 5.164 7.587
418 HB2 LEU 49 2HB LEU 49 -3.144 7.412 7.288
419 HB3 LEU 49 1HB LEU 49 -4.741 6.720 7.021
420 HD11 LEU 49 1HD1 LEU 49 -4.624 5.601 9.331
421 HD12 LEU 49 2HD1 LEU 49 -3.023 6.313 9.560
422 HD13 LEU 49 3HD1 LEU 49 -3.237 4.573 9.716
423 HD21 LEU 49 3HD2 LEU 49 -4.991 4.112 7.115
424 HD22 LEU 49 1HD2 LEU 49 -3.615 3.154 7.681
425 HD23 LEU 49 2HD2 LEU 49 -3.582 3.876 6.076
426 H ILE 50 H ILE 50 -2.181 8.751 4.899
427 HA ILE 50 HA ILE 50 -4.338 10.405 4.028
428 HB ILE 50 HB ILE 50 -1.332 10.675 3.538
429 HG12 ILE 50 2HG1 ILE 50 -3.103 12.138 5.551
430 HG13 ILE 50 1HG1 ILE 50 -2.081 10.763 5.941
431 HG21 ILE 50 1HG2 ILE 50 -2.521 11.950 1.811
432 HG22 ILE 50 2HG2 ILE 50 -1.739 13.046 2.951
433 HG23 ILE 50 3HG2 ILE 50 -3.480 12.771 3.047
434 HD11 ILE 50 3HD1 ILE 50 -1.062 12.840 6.631
435 HD12 ILE 50 1HD1 ILE 50 -1.123 13.455 4.980
436 HD13 ILE 50 2HD1 ILE 50 -0.096 12.073 5.372
437 H ALA 51 H ALA 51 -1.806 8.581 2.295
438 HA ALA 51 HA ALA 51 -2.590 8.995 -0.352
439 HB1 ALA 51 1HB ALA 51 -0.471 7.891 0.277
440 HB2 ALA 51 2HB ALA 51 -1.374 6.911 -0.879
441 HB3 ALA 51 3HB ALA 51 -1.359 6.470 0.834
442 H PHE 52 H PHE 52 -3.659 6.503 1.954
443 HA PHE 52 HA PHE 52 -5.401 4.970 0.425
444 HD1 PHE 52 2HD PHE 52 -7.070 2.859 1.716
445 HD2 PHE 52 1HD PHE 52 -7.156 6.085 4.521
446 HE1 PHE 52 2HE PHE 52 -9.313 2.194 2.449
447 HE2 PHE 52 1HE PHE 52 -9.407 5.399 5.231
448 HZ PHE 52 HZ PHE 52 -10.489 3.452 4.188
449 HB2 PHE 52 2HB PHE 52 -4.930 4.079 2.544
450 HB3 PHE 52 1HB PHE 52 -5.139 5.616 3.361
451 H GLN 53 H GLN 53 -6.195 7.862 2.393
452 HA GLN 53 HA GLN 53 -8.952 8.026 1.826
453 HB2 GLN 53 2HB GLN 53 -7.002 10.262 2.522
454 HB3 GLN 53 1HB GLN 53 -8.752 10.454 2.506
455 HG2 GLN 53 2HG GLN 53 -7.194 8.604 4.339
456 HG3 GLN 53 1HG GLN 53 -7.844 10.179 4.786
457 HE21 GLN 53 1HE2 GLN 53 -8.394 7.626 6.009
458 HE22 GLN 53 2HE2 GLN 53 -10.089 7.334 5.854
459 H ASN 54 H ASN 54 -6.161 9.219 0.061
460 HA ASN 54 HA ASN 54 -7.545 10.829 -1.858
461 HB2 ASN 54 2HB ASN 54 -4.757 9.595 -1.892
462 HB3 ASN 54 1HB ASN 54 -5.340 10.723 -3.111
463 HD21 ASN 54 1HD2 ASN 54 -3.124 10.911 -1.134
464 HD22 ASN 54 2HD2 ASN 54 -3.400 12.387 -0.283
465 H ARG 55 H ARG 55 -6.569 7.420 -1.718
466 HA ARG 55 HA ARG 55 -7.156 6.851 -4.487
467 HE ARG 55 HE ARG 55 -4.833 5.132 -5.523
468 HB2 ARG 55 2HB ARG 55 -6.992 4.729 -2.311
469 HB3 ARG 55 1HB ARG 55 -6.716 4.538 -4.035
470 HG2 ARG 55 2HG ARG 55 -4.892 5.699 -1.936
471 HG3 ARG 55 1HG ARG 55 -4.573 4.404 -3.087
472 HD2 ARG 55 2HD ARG 55 -4.859 7.353 -3.783
473 HD3 ARG 55 1HD ARG 55 -3.333 6.485 -3.616
474 HH11 ARG 55 1HH1 ARG 55 -3.525 8.381 -5.210
475 HH12 ARG 55 2HH1 ARG 55 -3.152 8.514 -6.893
476 HH21 ARG 55 1HH2 ARG 55 -4.308 5.313 -7.713
477 HH22 ARG 55 2HH2 ARG 55 -3.591 6.770 -8.313
478 H GLU 56 H GLU 56 -8.987 7.078 -1.604
479 HA GLU 56 HA GLU 56 -11.298 5.575 -2.457
480 HB2 GLU 56 2HB GLU 56 -10.810 7.518 -0.164
481 HB3 GLU 56 1HB GLU 56 -12.321 6.643 -0.397
482 HG2 GLU 56 2HG GLU 56 -9.616 5.310 0.025
483 HG3 GLU 56 1HG GLU 56 -10.797 5.620 1.302
484 H ARG 57 H ARG 57 -10.079 8.652 -3.234
485 HA ARG 57 HA ARG 57 -12.743 9.712 -4.012
486 HE ARG 57 HE ARG 57 -12.305 11.499 0.829
487 HB2 ARG 57 2HB ARG 57 -10.230 11.197 -3.108
488 HB3 ARG 57 1HB ARG 57 -11.702 11.980 -3.694
489 HG2 ARG 57 2HG ARG 57 -12.973 11.065 -1.794
490 HG3 ARG 57 1HG ARG 57 -11.537 10.203 -1.231
491 HD2 ARG 57 2HD ARG 57 -10.394 12.316 -0.793
492 HD3 ARG 57 1HD ARG 57 -11.749 13.223 -1.474
493 HH11 ARG 57 1HH1 ARG 57 -11.770 14.775 -0.352
494 HH12 ARG 57 2HH1 ARG 57 -12.429 15.515 1.070
495 HH21 ARG 57 1HH2 ARG 57 -13.161 12.498 2.684
496 HH22 ARG 57 2HH2 ARG 57 -13.197 14.227 2.795
497 H GLN 58 H GLN 58 -10.491 8.060 -5.450
498 HA GLN 58 HA GLN 58 -9.424 9.555 -7.576
499 HB2 GLN 58 2HB GLN 58 -10.218 6.609 -7.477
500 HB3 GLN 58 1HB GLN 58 -9.310 7.331 -8.803
501 HG2 GLN 58 2HG GLN 58 -8.406 7.184 -5.923
502 HG3 GLN 58 1HG GLN 58 -7.856 6.130 -7.230
503 HE21 GLN 58 1HE2 GLN 58 -6.505 7.018 -8.853
504 HE22 GLN 58 2HE2 GLN 58 -5.619 8.472 -8.582
505 H GLU 59 H GLU 59 -12.598 8.098 -7.151
506 HA GLU 59 HA GLU 59 -13.530 9.426 -9.633
507 HB2 GLU 59 2HB GLU 59 -15.140 7.599 -9.952
508 HB3 GLU 59 1HB GLU 59 -13.498 6.963 -9.912
509 HG2 GLU 59 2HG GLU 59 -13.855 6.308 -7.529
510 HG3 GLU 59 1HG GLU 59 -15.529 6.838 -7.662
511 H GLN 60 H GLN 60 -15.843 10.018 -9.537
512 HA GLN 60 HA GLN 60 -16.850 10.633 -6.816
513 HB2 GLN 60 2HB GLN 60 -16.806 12.499 -9.234
514 HB3 GLN 60 1HB GLN 60 -17.684 12.827 -7.742
515 HG2 GLN 60 2HG GLN 60 -15.594 12.904 -6.485
516 HG3 GLN 60 1HG GLN 60 -14.680 12.460 -7.924
517 HE21 GLN 60 1HE2 GLN 60 -14.361 13.994 -9.544
518 HE22 GLN 60 2HE2 GLN 60 -14.633 15.680 -9.292
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 26.334 -1.052 4.830
2 H2 GLY 1 2HT GLY 1 24.743 -0.541 4.576
3 H3 GLY 1 3HT GLY 1 25.638 -1.186 3.296
4 HA2 GLY 1 1HA GLY 1 25.704 -3.340 4.342
5 HA3 GLY 1 2HA GLY 1 24.850 -2.686 5.730
6 H SER 2 H SER 2 23.558 -1.185 3.081
7 HA SER 2 HA SER 2 21.570 -3.211 2.409
8 HG SER 2 HG SER 2 21.117 -3.157 4.683
9 HB2 SER 2 2HB SER 2 20.800 -0.579 3.756
10 HB3 SER 2 1HB SER 2 19.667 -1.741 3.057
11 H GLU 3 H GLU 3 21.971 -3.130 0.260
12 HA GLU 3 HA GLU 3 22.346 -0.653 -1.208
13 HB2 GLU 3 2HB GLU 3 23.599 -2.721 -1.814
14 HB3 GLU 3 1HB GLU 3 22.090 -3.518 -2.227
15 HG2 GLU 3 2HG GLU 3 23.218 -2.804 -4.250
16 HG3 GLU 3 1HG GLU 3 21.726 -1.890 -4.056
17 H HIS 4 H HIS 4 19.889 -3.214 -0.992
18 HA HIS 4 HA HIS 4 17.928 -1.531 -2.459
19 HD1 HIS 4 1HD HIS 4 19.580 -5.535 -4.171
20 HD2 HIS 4 2HD HIS 4 18.614 -1.568 -4.953
21 HE1 HIS 4 1HE HIS 4 20.904 -4.918 -6.213
22 HE2 HIS 4 2HE HIS 4 20.136 -2.587 -6.776
23 HB2 HIS 4 2HB HIS 4 18.128 -4.577 -2.410
24 HB3 HIS 4 1HB HIS 4 16.898 -3.643 -3.255
25 H VAL 5 H VAL 5 17.047 -0.580 -0.671
26 HA VAL 5 HA VAL 5 16.207 -2.103 1.650
27 HB VAL 5 HB VAL 5 15.514 0.072 2.601
28 HG11 VAL 5 1HG1 VAL 5 18.284 0.182 1.333
29 HG12 VAL 5 2HG1 VAL 5 17.863 -0.619 2.850
30 HG13 VAL 5 3HG1 VAL 5 17.748 1.136 2.720
31 HG21 VAL 5 3HG2 VAL 5 15.917 2.217 1.386
32 HG22 VAL 5 1HG2 VAL 5 14.688 1.231 0.587
33 HG23 VAL 5 2HG2 VAL 5 16.321 1.308 -0.074
34 H PHE 6 H PHE 6 14.209 -2.837 2.035
35 HA PHE 6 HA PHE 6 11.964 -2.217 0.256
36 HD1 PHE 6 2HD PHE 6 14.315 -5.213 1.268
37 HD2 PHE 6 1HD PHE 6 10.465 -4.951 -0.590
38 HE1 PHE 6 2HE PHE 6 15.022 -6.833 -0.445
39 HE2 PHE 6 1HE PHE 6 11.182 -6.574 -2.292
40 HZ PHE 6 HZ PHE 6 13.457 -7.515 -2.223
41 HB2 PHE 6 2HB PHE 6 12.303 -4.275 2.482
42 HB3 PHE 6 1HB PHE 6 10.798 -4.026 1.608
43 H ALA 7 H ALA 7 11.153 -0.282 0.811
44 HA ALA 7 HA ALA 7 9.921 0.004 3.482
45 HB1 ALA 7 1HB ALA 7 11.945 1.435 3.468
46 HB2 ALA 7 2HB ALA 7 10.482 2.419 3.496
47 HB3 ALA 7 3HB ALA 7 11.391 2.231 1.993
48 H VAL 8 H VAL 8 7.774 0.406 3.274
49 HA VAL 8 HA VAL 8 6.535 0.605 0.715
50 HB VAL 8 HB VAL 8 5.280 1.101 3.453
51 HG11 VAL 8 1HG1 VAL 8 3.914 0.514 0.782
52 HG12 VAL 8 2HG1 VAL 8 3.865 2.051 1.649
53 HG13 VAL 8 3HG1 VAL 8 3.096 0.624 2.345
54 HG21 VAL 8 3HG2 VAL 8 6.248 -1.157 3.289
55 HG22 VAL 8 1HG2 VAL 8 5.344 -1.446 1.798
56 HG23 VAL 8 2HG2 VAL 8 4.485 -1.228 3.325
57 H GLU 9 H GLU 9 5.506 2.325 -0.213
58 HA GLU 9 HA GLU 9 6.662 4.974 0.345
59 HB2 GLU 9 2HB GLU 9 7.234 3.979 -1.854
60 HB3 GLU 9 1HB GLU 9 5.531 3.755 -2.219
61 HG2 GLU 9 2HG GLU 9 6.316 5.634 -3.472
62 HG3 GLU 9 1HG GLU 9 5.232 6.233 -2.216
63 H SER 10 H SER 10 3.731 3.510 -1.052
64 HA SER 10 HA SER 10 1.899 5.196 0.424
65 HG SER 10 HG SER 10 3.054 7.002 -0.493
66 HB2 SER 10 2HB SER 10 2.181 5.494 -2.609
67 HB3 SER 10 1HB SER 10 0.862 6.171 -1.657
68 H ILE 11 H ILE 11 -0.338 4.594 0.010
69 HA ILE 11 HA ILE 11 -0.808 1.878 -0.933
70 HB ILE 11 HB ILE 11 -2.697 4.043 0.106
71 HG12 ILE 11 2HG1 ILE 11 -1.764 1.453 1.434
72 HG13 ILE 11 1HG1 ILE 11 -1.071 3.043 1.761
73 HG21 ILE 11 1HG2 ILE 11 -4.461 2.293 0.209
74 HG22 ILE 11 2HG2 ILE 11 -3.380 1.156 -0.599
75 HG23 ILE 11 3HG2 ILE 11 -3.940 2.595 -1.452
76 HD11 ILE 11 3HD1 ILE 11 -2.740 2.191 3.413
77 HD12 ILE 11 1HD1 ILE 11 -3.980 2.412 2.190
78 HD13 ILE 11 2HD1 ILE 11 -3.054 3.799 2.774
79 H GLU 12 H GLU 12 -1.601 1.374 -2.912
80 HA GLU 12 HA GLU 12 -1.762 3.469 -4.954
81 HB2 GLU 12 2HB GLU 12 -1.404 0.454 -5.171
82 HB3 GLU 12 1HB GLU 12 -1.498 1.542 -6.555
83 HG2 GLU 12 2HG GLU 12 0.634 1.677 -4.394
84 HG3 GLU 12 1HG GLU 12 0.819 0.847 -5.941
85 H LYS 13 H LYS 13 -3.383 0.388 -4.179
86 HA LYS 13 HA LYS 13 -5.965 1.524 -5.056
87 HB2 LYS 13 2HB LYS 13 -4.913 -1.292 -5.589
88 HB3 LYS 13 1HB LYS 13 -6.575 -0.777 -5.885
89 HG2 LYS 13 2HG LYS 13 -5.691 0.910 -7.534
90 HG3 LYS 13 1HG LYS 13 -4.074 0.234 -7.299
91 HD2 LYS 13 2HD LYS 13 -6.494 -1.311 -8.327
92 HD3 LYS 13 1HD LYS 13 -5.215 -0.641 -9.341
93 HE2 LYS 13 2HE LYS 13 -3.580 -2.119 -8.280
94 HE3 LYS 13 1HE LYS 13 -4.823 -2.749 -7.199
95 HZ1 LYS 13 3HZ LYS 13 -5.983 -3.640 -9.080
96 HZ2 LYS 13 1HZ LYS 13 -4.387 -4.203 -9.067
97 HZ3 LYS 13 2HZ LYS 13 -4.845 -2.982 -10.146
98 H LYS 14 H LYS 14 -7.783 0.622 -4.087
99 HA LYS 14 HA LYS 14 -7.472 -0.564 -1.384
100 HB2 LYS 14 2HB LYS 14 -8.138 1.663 -0.955
101 HB3 LYS 14 1HB LYS 14 -9.063 1.792 -2.438
102 HG2 LYS 14 2HG LYS 14 -10.574 1.888 -0.574
103 HG3 LYS 14 1HG LYS 14 -10.844 0.379 -1.448
104 HD2 LYS 14 2HD LYS 14 -9.515 -0.825 0.289
105 HD3 LYS 14 1HD LYS 14 -9.330 0.698 1.171
106 HE2 LYS 14 2HE LYS 14 -11.954 -0.725 0.576
107 HE3 LYS 14 1HE LYS 14 -11.133 -0.648 2.138
108 HZ1 LYS 14 3HZ LYS 14 -12.148 1.722 0.660
109 HZ2 LYS 14 1HZ LYS 14 -11.474 1.713 2.206
110 HZ3 LYS 14 2HZ LYS 14 -12.961 0.959 1.930
111 H ARG 15 H ARG 15 -8.653 -2.422 -1.077
112 HA ARG 15 HA ARG 15 -11.338 -2.578 -2.034
113 HE ARG 15 HE ARG 15 -7.462 -7.055 -3.599
114 HB2 ARG 15 2HB ARG 15 -11.151 -4.802 -3.169
115 HB3 ARG 15 1HB ARG 15 -10.412 -3.479 -4.041
116 HG2 ARG 15 2HG ARG 15 -8.989 -5.349 -4.321
117 HG3 ARG 15 1HG ARG 15 -8.165 -4.261 -3.218
118 HD2 ARG 15 2HD ARG 15 -8.264 -5.721 -1.465
119 HD3 ARG 15 1HD ARG 15 -9.814 -6.406 -1.969
120 HH11 ARG 15 1HH1 ARG 15 -9.639 -8.153 -1.070
121 HH12 ARG 15 2HH1 ARG 15 -9.386 -9.835 -1.418
122 HH21 ARG 15 1HH2 ARG 15 -7.160 -9.272 -4.041
123 HH22 ARG 15 2HH2 ARG 15 -7.999 -10.460 -3.099
124 H ILE 16 H ILE 16 -12.512 -4.452 -1.216
125 HA ILE 16 HA ILE 16 -11.327 -5.804 1.130
126 HB ILE 16 HB ILE 16 -14.024 -4.368 1.059
127 HG12 ILE 16 2HG1 ILE 16 -11.702 -4.206 3.009
128 HG13 ILE 16 1HG1 ILE 16 -12.029 -3.021 1.744
129 HG21 ILE 16 1HG2 ILE 16 -14.543 -5.367 3.280
130 HG22 ILE 16 2HG2 ILE 16 -13.102 -6.380 3.160
131 HG23 ILE 16 3HG2 ILE 16 -14.433 -6.601 2.022
132 HD11 ILE 16 3HD1 ILE 16 -14.155 -2.463 2.860
133 HD12 ILE 16 1HD1 ILE 16 -12.753 -2.195 3.896
134 HD13 ILE 16 2HD1 ILE 16 -13.768 -3.617 4.139
135 H ARG 17 H ARG 17 -11.572 -7.917 0.974
136 HA ARG 17 HA ARG 17 -14.043 -9.099 -0.053
137 HE ARG 17 HE ARG 17 -12.423 -7.955 -4.862
138 HB2 ARG 17 2HB ARG 17 -11.292 -9.924 -1.106
139 HB3 ARG 17 1HB ARG 17 -12.762 -10.866 -1.340
140 HG2 ARG 17 2HG ARG 17 -13.746 -9.012 -2.642
141 HG3 ARG 17 1HG ARG 17 -12.269 -8.073 -2.414
142 HD2 ARG 17 2HD ARG 17 -10.997 -9.810 -3.644
143 HD3 ARG 17 1HD ARG 17 -12.496 -10.721 -3.887
144 HH11 ARG 17 1HH1 ARG 17 -12.268 -11.369 -5.698
145 HH12 ARG 17 2HH1 ARG 17 -12.550 -11.082 -7.381
146 HH21 ARG 17 1HH2 ARG 17 -12.759 -7.611 -7.067
147 HH22 ARG 17 2HH2 ARG 17 -12.844 -8.960 -8.150
148 H LYS 18 H LYS 18 -14.545 -11.090 0.937
149 HA LYS 18 HA LYS 18 -14.584 -12.753 2.482
150 HB2 LYS 18 2HB LYS 18 -12.512 -13.492 1.294
151 HB3 LYS 18 1HB LYS 18 -11.535 -12.524 2.382
152 HG2 LYS 18 2HG LYS 18 -11.470 -14.943 2.906
153 HG3 LYS 18 1HG LYS 18 -12.071 -13.972 4.251
154 HD2 LYS 18 2HD LYS 18 -14.382 -14.630 3.723
155 HD3 LYS 18 1HD LYS 18 -13.820 -15.540 2.315
156 HE2 LYS 18 2HE LYS 18 -12.585 -17.083 3.783
157 HE3 LYS 18 1HE LYS 18 -13.062 -16.138 5.199
158 HZ1 LYS 18 3HZ LYS 18 -14.431 -18.102 4.877
159 HZ2 LYS 18 1HZ LYS 18 -14.939 -17.527 3.378
160 HZ3 LYS 18 2HZ LYS 18 -15.344 -16.686 4.786
161 H GLY 19 H GLY 19 -14.692 -9.924 3.279
162 HA2 GLY 19 2HA GLY 19 -14.779 -8.589 5.149
163 HA3 GLY 19 1HA GLY 19 -14.626 -10.054 6.107
164 H ARG 20 H ARG 20 -12.229 -9.219 3.771
165 HA ARG 20 HA ARG 20 -10.233 -8.529 5.840
166 HE ARG 20 HE ARG 20 -9.718 -13.382 6.064
167 HB2 ARG 20 2HB ARG 20 -9.709 -9.805 3.101
168 HB3 ARG 20 1HB ARG 20 -8.511 -9.477 4.350
169 HG2 ARG 20 2HG ARG 20 -10.761 -11.519 4.510
170 HG3 ARG 20 1HG ARG 20 -9.051 -11.865 4.217
171 HD2 ARG 20 2HD ARG 20 -8.519 -10.907 6.462
172 HD3 ARG 20 1HD ARG 20 -10.251 -10.685 6.749
173 HH11 ARG 20 1HH1 ARG 20 -9.303 -11.160 8.755
174 HH12 ARG 20 2HH1 ARG 20 -9.290 -12.422 9.941
175 HH21 ARG 20 1HH2 ARG 20 -9.694 -15.018 7.640
176 HH22 ARG 20 2HH2 ARG 20 -9.506 -14.597 9.314
177 H VAL 21 H VAL 21 -9.150 -6.643 5.542
178 HA VAL 21 HA VAL 21 -9.705 -5.051 3.098
179 HB VAL 21 HB VAL 21 -10.682 -3.957 5.024
180 HG11 VAL 21 1HG1 VAL 21 -9.458 -4.999 6.848
181 HG12 VAL 21 2HG1 VAL 21 -9.409 -3.243 7.022
182 HG13 VAL 21 3HG1 VAL 21 -7.994 -4.112 6.421
183 HG21 VAL 21 3HG2 VAL 21 -9.675 -2.476 3.357
184 HG22 VAL 21 1HG2 VAL 21 -8.124 -2.524 4.203
185 HG23 VAL 21 2HG2 VAL 21 -9.523 -1.760 4.963
186 H GLU 22 H GLU 22 -8.049 -5.241 1.764
187 HA GLU 22 HA GLU 22 -5.286 -5.004 2.802
188 HB2 GLU 22 2HB GLU 22 -4.563 -6.369 0.754
189 HB3 GLU 22 1HB GLU 22 -5.342 -7.252 2.057
190 HG2 GLU 22 2HG GLU 22 -6.814 -6.337 -0.419
191 HG3 GLU 22 1HG GLU 22 -5.977 -7.883 -0.328
192 H TYR 23 H TYR 23 -3.906 -3.799 1.707
193 HA TYR 23 HA TYR 23 -4.937 -1.972 -0.370
194 HD1 TYR 23 1HD TYR 23 -6.442 -1.053 0.774
195 HD2 TYR 23 2HD TYR 23 -3.523 -0.151 3.770
196 HE1 TYR 23 1HE TYR 23 -8.205 -0.279 2.280
197 HE2 TYR 23 2HE TYR 23 -5.302 0.616 5.279
198 HH TYR 23 HH TYR 23 -8.574 0.019 4.721
199 HB2 TYR 23 2HB TYR 23 -2.887 -1.416 1.824
200 HB3 TYR 23 1HB TYR 23 -3.444 -0.262 0.616
201 H LEU 24 H LEU 24 -3.602 -1.603 -2.106
202 HA LEU 24 HA LEU 24 -1.430 -3.456 -2.584
203 HG LEU 24 HG LEU 24 -0.124 -2.408 -4.906
204 HB2 LEU 24 2HB LEU 24 -3.112 -2.618 -4.355
205 HB3 LEU 24 1HB LEU 24 -2.241 -1.086 -4.325
206 HD11 LEU 24 1HD1 LEU 24 -0.432 -4.643 -5.879
207 HD12 LEU 24 2HD1 LEU 24 -2.134 -4.614 -5.426
208 HD13 LEU 24 3HD1 LEU 24 -0.884 -4.605 -4.177
209 HD21 LEU 24 3HD2 LEU 24 -1.324 -1.097 -6.614
210 HD22 LEU 24 1HD2 LEU 24 -2.351 -2.488 -6.961
211 HD23 LEU 24 2HD2 LEU 24 -0.622 -2.562 -7.293
212 H VAL 25 H VAL 25 0.555 -3.034 -1.695
213 HA VAL 25 HA VAL 25 1.277 -0.289 -1.002
214 HB VAL 25 HB VAL 25 3.144 -1.180 0.241
215 HG11 VAL 25 1HG1 VAL 25 0.962 -1.316 1.366
216 HG12 VAL 25 2HG1 VAL 25 2.000 -2.646 1.879
217 HG13 VAL 25 3HG1 VAL 25 0.700 -2.941 0.719
218 HG21 VAL 25 3HG2 VAL 25 2.541 -3.917 -0.941
219 HG22 VAL 25 1HG2 VAL 25 3.731 -3.586 0.325
220 HG23 VAL 25 2HG2 VAL 25 3.948 -2.911 -1.289
221 H LYS 26 H LYS 26 2.443 0.950 -2.259
222 HA LYS 26 HA LYS 26 4.098 -0.045 -4.444
223 HB2 LYS 26 2HB LYS 26 2.849 2.077 -4.718
224 HB3 LYS 26 1HB LYS 26 3.654 2.759 -3.313
225 HG2 LYS 26 2HG LYS 26 4.573 3.611 -5.447
226 HG3 LYS 26 1HG LYS 26 5.783 2.779 -4.463
227 HD2 LYS 26 2HD LYS 26 5.552 0.753 -5.875
228 HD3 LYS 26 1HD LYS 26 4.313 1.560 -6.846
229 HE2 LYS 26 2HE LYS 26 6.526 1.564 -7.953
230 HE3 LYS 26 1HE LYS 26 5.959 3.199 -7.624
231 HZ1 LYS 26 3HZ LYS 26 7.965 1.697 -6.025
232 HZ2 LYS 26 1HZ LYS 26 7.420 3.259 -5.685
233 HZ3 LYS 26 2HZ LYS 26 8.293 2.957 -7.101
234 H TRP 27 H TRP 27 6.068 -0.862 -3.888
235 HA TRP 27 HA TRP 27 7.454 -0.080 -1.468
236 HD1 TRP 27 HD TRP 27 6.318 -3.762 -3.446
237 HE1 TRP 27 1HE TRP 27 5.617 -5.277 -1.485
238 HE3 TRP 27 3HE TRP 27 9.015 -1.556 0.297
239 HZ2 TRP 27 2HZ TRP 27 6.122 -5.490 1.280
240 HZ3 TRP 27 3HZ TRP 27 8.831 -2.455 2.578
241 HH2 TRP 27 HH TRP 27 7.419 -4.387 3.060
242 HB2 TRP 27 2HB TRP 27 8.213 -1.933 -3.768
243 HB3 TRP 27 1HB TRP 27 9.254 -1.633 -2.382
244 H ARG 28 H ARG 28 8.689 1.664 -1.316
245 HA ARG 28 HA ARG 28 9.515 3.353 -3.421
246 HE ARG 28 HE ARG 28 9.425 6.189 -0.436
247 HB2 ARG 28 2HB ARG 28 9.253 4.221 -1.147
248 HB3 ARG 28 1HB ARG 28 10.499 3.130 -0.545
249 HG2 ARG 28 2HG ARG 28 12.209 4.336 -1.877
250 HG3 ARG 28 1HG ARG 28 10.966 5.424 -2.497
251 HD2 ARG 28 2HD ARG 28 11.767 5.159 0.429
252 HD3 ARG 28 1HD ARG 28 12.302 6.437 -0.670
253 HH11 ARG 28 1HH1 ARG 28 12.271 7.818 0.800
254 HH12 ARG 28 2HH1 ARG 28 11.356 9.075 1.563
255 HH21 ARG 28 1HH2 ARG 28 8.247 7.843 0.548
256 HH22 ARG 28 2HH2 ARG 28 9.081 9.098 1.407
257 H GLY 29 H GLY 29 11.266 3.304 -4.711
258 HA2 GLY 29 2HA GLY 29 13.397 2.842 -5.493
259 HA3 GLY 29 1HA GLY 29 13.717 1.867 -4.068
260 H TRP 30 H TRP 30 10.779 0.926 -5.344
261 HA TRP 30 HA TRP 30 11.916 -1.155 -7.121
262 HD1 TRP 30 HD TRP 30 11.237 -1.133 -2.855
263 HE1 TRP 30 1HE TRP 30 13.242 -2.388 -1.860
264 HE3 TRP 30 3HE TRP 30 12.373 -4.159 -6.836
265 HZ2 TRP 30 2HZ TRP 30 15.061 -4.383 -2.636
266 HZ3 TRP 30 3HZ TRP 30 14.272 -5.716 -6.622
267 HH2 TRP 30 HH TRP 30 15.591 -5.826 -4.560
268 HB2 TRP 30 2HB TRP 30 9.711 -1.546 -5.032
269 HB3 TRP 30 1HB TRP 30 10.264 -2.766 -6.180
270 H SER 31 H SER 31 10.737 -1.538 -8.966
271 HA SER 31 HA SER 31 9.003 0.400 -10.014
272 HG SER 31 HG SER 31 10.644 -0.359 -12.144
273 HB2 SER 31 2HB SER 31 9.360 -2.498 -10.895
274 HB3 SER 31 1HB SER 31 8.692 -1.197 -11.884
275 HA PRO 32 HA PRO 32 4.902 -0.400 -8.379
276 HB2 PRO 32 2HB PRO 32 3.887 -0.277 -11.223
277 HB3 PRO 32 1HB PRO 32 3.335 0.605 -9.787
278 HG2 PRO 32 2HG PRO 32 4.836 1.842 -11.598
279 HG3 PRO 32 1HG PRO 32 5.134 2.119 -9.866
280 HD2 PRO 32 2HD PRO 32 6.672 0.391 -11.809
281 HD3 PRO 32 1HD PRO 32 7.282 1.463 -10.527
282 H LYS 33 H LYS 33 5.941 -2.364 -11.112
283 HA LYS 33 HA LYS 33 3.950 -4.371 -11.060
284 HB2 LYS 33 2HB LYS 33 5.564 -5.712 -12.401
285 HB3 LYS 33 1HB LYS 33 5.387 -4.060 -12.994
286 HG2 LYS 33 2HG LYS 33 7.509 -3.498 -11.674
287 HG3 LYS 33 1HG LYS 33 7.714 -5.240 -11.438
288 HD2 LYS 33 2HD LYS 33 7.790 -5.550 -13.899
289 HD3 LYS 33 1HD LYS 33 7.578 -3.810 -14.127
290 HE2 LYS 33 2HE LYS 33 9.733 -3.445 -12.890
291 HE3 LYS 33 1HE LYS 33 9.951 -5.198 -12.823
292 HZ1 LYS 33 3HZ LYS 33 9.775 -3.532 -15.271
293 HZ2 LYS 33 1HZ LYS 33 9.906 -5.219 -15.255
294 HZ3 LYS 33 2HZ LYS 33 11.163 -4.267 -14.652
295 H TYR 34 H TYR 34 6.616 -3.840 -8.903
296 HA TYR 34 HA TYR 34 6.601 -6.530 -7.742
297 HD1 TYR 34 1HD TYR 34 9.063 -7.573 -6.790
298 HD2 TYR 34 2HD TYR 34 9.498 -4.091 -9.237
299 HE1 TYR 34 1HE TYR 34 10.783 -8.722 -8.100
300 HE2 TYR 34 2HE TYR 34 11.237 -5.248 -10.550
301 HH TYR 34 HH TYR 34 12.842 -7.131 -10.241
302 HB2 TYR 34 2HB TYR 34 8.177 -3.987 -7.186
303 HB3 TYR 34 1HB TYR 34 8.218 -5.327 -6.045
304 H ASN 35 H ASN 35 4.212 -4.742 -7.728
305 HA ASN 35 HA ASN 35 3.577 -3.802 -5.153
306 HB2 ASN 35 2HB ASN 35 1.239 -3.801 -6.027
307 HB3 ASN 35 1HB ASN 35 2.371 -3.066 -7.147
308 HD21 ASN 35 1HD2 ASN 35 0.321 -5.877 -6.574
309 HD22 ASN 35 2HD2 ASN 35 0.341 -6.460 -8.198
310 H THR 36 H THR 36 2.561 -4.751 -3.418
311 HA THR 36 HA THR 36 1.622 -7.549 -3.572
312 HB THR 36 HB THR 36 2.527 -7.812 -1.151
313 HG1 THR 36 1HG THR 36 3.246 -5.914 -0.465
314 HG21 THR 36 3HG2 THR 36 4.600 -7.542 -3.355
315 HG22 THR 36 1HG2 THR 36 3.622 -8.979 -3.038
316 HG23 THR 36 2HG2 THR 36 4.807 -8.435 -1.848
317 H TRP 37 H TRP 37 -0.374 -7.832 -2.732
318 HA TRP 37 HA TRP 37 -1.842 -5.686 -1.443
319 HD1 TRP 37 HD TRP 37 -2.451 -8.295 -4.789
320 HE1 TRP 37 1HE TRP 37 -3.694 -6.797 -6.472
321 HE3 TRP 37 3HE TRP 37 -4.650 -5.028 -1.515
322 HZ2 TRP 37 2HZ TRP 37 -5.358 -4.522 -6.424
323 HZ3 TRP 37 3HZ TRP 37 -6.040 -3.207 -2.417
324 HH2 TRP 37 HH TRP 37 -6.386 -2.961 -4.824
325 HB2 TRP 37 2HB TRP 37 -2.565 -8.564 -2.153
326 HB3 TRP 37 1HB TRP 37 -3.671 -7.498 -1.293
327 H GLU 38 H GLU 38 -1.309 -5.247 0.592
328 HA GLU 38 HA GLU 38 -0.972 -7.425 2.568
329 HB2 GLU 38 2HB GLU 38 0.350 -4.675 2.520
330 HB3 GLU 38 1HB GLU 38 0.512 -5.862 3.818
331 HG2 GLU 38 2HG GLU 38 1.541 -7.443 2.175
332 HG3 GLU 38 1HG GLU 38 1.454 -6.175 0.948
333 HA PRO 39 HA PRO 39 -4.683 -5.870 4.476
334 HB2 PRO 39 2HB PRO 39 -4.186 -6.655 7.123
335 HB3 PRO 39 1HB PRO 39 -4.826 -7.703 5.851
336 HG2 PRO 39 2HG PRO 39 -1.995 -7.409 6.831
337 HG3 PRO 39 1HG PRO 39 -2.887 -8.888 6.413
338 HD2 PRO 39 2HD PRO 39 -1.102 -7.836 4.711
339 HD3 PRO 39 1HD PRO 39 -2.610 -8.557 4.106
340 H GLU 40 H GLU 40 -5.490 -4.393 6.117
341 HA GLU 40 HA GLU 40 -4.172 -1.898 6.128
342 HB2 GLU 40 2HB GLU 40 -6.623 -2.168 6.198
343 HB3 GLU 40 1HB GLU 40 -6.511 -2.916 7.788
344 HG2 GLU 40 2HG GLU 40 -5.649 -0.764 8.709
345 HG3 GLU 40 1HG GLU 40 -5.860 -0.026 7.118
346 H GLU 41 H GLU 41 -4.197 -4.518 8.483
347 HA GLU 41 HA GLU 41 -3.206 -3.188 10.770
348 HB2 GLU 41 2HB GLU 41 -2.510 -5.440 11.566
349 HB3 GLU 41 1HB GLU 41 -4.148 -5.452 10.925
350 HG2 GLU 41 2HG GLU 41 -3.366 -6.495 8.851
351 HG3 GLU 41 1HG GLU 41 -1.697 -6.409 9.403
352 H ASN 42 H ASN 42 -1.584 -4.459 7.892
353 HA ASN 42 HA ASN 42 1.124 -4.124 8.770
354 HB2 ASN 42 2HB ASN 42 -0.022 -4.265 5.937
355 HB3 ASN 42 1HB ASN 42 1.701 -4.269 6.310
356 HD21 ASN 42 1HD2 ASN 42 1.971 -6.293 5.343
357 HD22 ASN 42 2HD2 ASN 42 1.393 -7.754 6.058
358 H ILE 43 H ILE 43 -1.229 -2.067 7.115
359 HA ILE 43 HA ILE 43 0.661 0.163 6.887
360 HB ILE 43 HB ILE 43 -2.279 0.136 6.054
361 HG12 ILE 43 2HG1 ILE 43 -1.051 -1.624 4.792
362 HG13 ILE 43 1HG1 ILE 43 -1.496 -0.292 3.734
363 HG21 ILE 43 1HG2 ILE 43 0.034 1.988 5.337
364 HG22 ILE 43 2HG2 ILE 43 -1.350 2.379 6.361
365 HG23 ILE 43 3HG2 ILE 43 -1.583 2.069 4.648
366 HD11 ILE 43 3HD1 ILE 43 0.725 -1.105 3.239
367 HD12 ILE 43 1HD1 ILE 43 1.248 -0.802 4.893
368 HD13 ILE 43 2HD1 ILE 43 0.812 0.546 3.839
369 H LEU 44 H LEU 44 0.866 0.143 9.236
370 HA LEU 44 HA LEU 44 -1.289 1.529 10.705
371 HG LEU 44 HG LEU 44 -0.409 -0.416 13.738
372 HB2 LEU 44 2HB LEU 44 0.509 -0.548 11.462
373 HB3 LEU 44 1HB LEU 44 1.096 0.861 12.315
374 HD11 LEU 44 1HD1 LEU 44 -1.749 2.172 12.904
375 HD12 LEU 44 2HD1 LEU 44 -0.416 2.001 14.050
376 HD13 LEU 44 3HD1 LEU 44 -1.990 1.309 14.431
377 HD21 LEU 44 3HD2 LEU 44 -2.564 -0.014 11.636
378 HD22 LEU 44 1HD2 LEU 44 -2.769 -0.796 13.209
379 HD23 LEU 44 2HD2 LEU 44 -1.728 -1.528 11.990
380 H ASP 45 H ASP 45 1.248 2.346 8.791
381 HA ASP 45 HA ASP 45 2.268 4.587 10.371
382 HB2 ASP 45 2HB ASP 45 3.914 3.226 9.148
383 HB3 ASP 45 1HB ASP 45 3.091 3.546 7.628
384 HA PRO 46 HA PRO 46 -0.993 7.262 8.633
385 HB2 PRO 46 2HB PRO 46 0.904 9.357 9.702
386 HB3 PRO 46 1HB PRO 46 -0.849 9.209 9.911
387 HG2 PRO 46 2HG PRO 46 0.750 8.503 11.890
388 HG3 PRO 46 1HG PRO 46 -0.638 7.465 11.494
389 HD2 PRO 46 2HD PRO 46 2.278 7.097 10.793
390 HD3 PRO 46 1HD PRO 46 1.099 5.896 11.370
391 H ARG 47 H ARG 47 2.446 7.609 7.694
392 HA ARG 47 HA ARG 47 2.026 9.682 5.739
393 HE ARG 47 HE ARG 47 4.472 11.366 9.050
394 HB2 ARG 47 2HB ARG 47 4.320 7.684 5.901
395 HB3 ARG 47 1HB ARG 47 4.298 9.138 4.902
396 HG2 ARG 47 2HG ARG 47 4.249 9.051 7.938
397 HG3 ARG 47 1HG ARG 47 5.641 9.451 6.931
398 HD2 ARG 47 2HD ARG 47 4.466 11.443 6.081
399 HD3 ARG 47 1HD ARG 47 3.051 11.039 7.057
400 HH11 ARG 47 1HH1 ARG 47 5.574 12.873 6.064
401 HH12 ARG 47 2HH1 ARG 47 6.431 14.136 6.883
402 HH21 ARG 47 1HH2 ARG 47 5.603 13.035 10.101
403 HH22 ARG 47 2HH2 ARG 47 6.430 14.244 9.172
404 H LEU 48 H LEU 48 2.003 6.181 5.632
405 HA LEU 48 HA LEU 48 1.726 5.840 2.797
406 HG LEU 48 HG LEU 48 3.020 4.402 5.608
407 HB2 LEU 48 2HB LEU 48 0.708 3.943 4.949
408 HB3 LEU 48 1HB LEU 48 1.212 3.534 3.310
409 HD11 LEU 48 1HD1 LEU 48 3.919 2.129 5.523
410 HD12 LEU 48 2HD1 LEU 48 2.747 1.695 4.274
411 HD13 LEU 48 3HD1 LEU 48 2.194 2.137 5.892
412 HD21 LEU 48 3HD2 LEU 48 3.804 3.686 2.765
413 HD22 LEU 48 1HD2 LEU 48 4.919 3.949 4.110
414 HD23 LEU 48 2HD2 LEU 48 3.918 5.275 3.529
415 H LEU 49 H LEU 49 -0.435 6.303 5.512
416 HA LEU 49 HA LEU 49 -2.927 5.814 4.194
417 HG LEU 49 HG LEU 49 -1.772 4.728 6.775
418 HB2 LEU 49 2HB LEU 49 -2.269 7.217 6.808
419 HB3 LEU 49 1HB LEU 49 -3.907 6.848 6.282
420 HD11 LEU 49 1HD1 LEU 49 -2.921 4.223 8.880
421 HD12 LEU 49 2HD1 LEU 49 -4.004 5.596 8.642
422 HD13 LEU 49 3HD1 LEU 49 -2.275 5.862 8.878
423 HD21 LEU 49 3HD2 LEU 49 -4.771 4.470 6.332
424 HD22 LEU 49 1HD2 LEU 49 -3.664 3.145 6.707
425 HD23 LEU 49 2HD2 LEU 49 -3.500 4.024 5.189
426 H ILE 50 H ILE 50 -0.852 8.651 4.453
427 HA ILE 50 HA ILE 50 -2.667 10.742 3.980
428 HB ILE 50 HB ILE 50 0.219 10.415 3.041
429 HG12 ILE 50 2HG1 ILE 50 -1.019 12.021 5.320
430 HG13 ILE 50 1HG1 ILE 50 -0.069 10.551 5.479
431 HG21 ILE 50 1HG2 ILE 50 0.283 12.846 2.553
432 HG22 ILE 50 2HG2 ILE 50 -1.456 12.946 2.829
433 HG23 ILE 50 3HG2 ILE 50 -0.833 11.990 1.485
434 HD11 ILE 50 3HD1 ILE 50 1.218 12.499 6.090
435 HD12 ILE 50 1HD1 ILE 50 0.938 13.222 4.506
436 HD13 ILE 50 2HD1 ILE 50 1.903 11.750 4.649
437 H ALA 51 H ALA 51 -0.915 8.733 1.619
438 HA ALA 51 HA ALA 51 -2.045 9.756 -0.749
439 HB1 ALA 51 1HB ALA 51 -1.254 7.689 -1.824
440 HB2 ALA 51 2HB ALA 51 -1.007 6.949 -0.238
441 HB3 ALA 51 3HB ALA 51 -0.028 8.333 -0.727
442 H PHE 52 H PHE 52 -3.039 7.065 1.350
443 HA PHE 52 HA PHE 52 -5.140 5.977 -0.133
444 HD1 PHE 52 1HD PHE 52 -5.944 3.560 0.460
445 HD2 PHE 52 2HD PHE 52 -6.950 5.845 3.929
446 HE1 PHE 52 1HE PHE 52 -7.986 2.238 0.750
447 HE2 PHE 52 2HE PHE 52 -8.999 4.507 4.206
448 HZ PHE 52 HZ PHE 52 -9.514 2.703 2.615
449 HB2 PHE 52 2HB PHE 52 -4.198 4.921 1.879
450 HB3 PHE 52 1HB PHE 52 -4.854 6.199 2.892
451 H GLN 53 H GLN 53 -5.255 8.535 2.352
452 HA GLN 53 HA GLN 53 -8.067 8.914 2.383
453 HB2 GLN 53 2HB GLN 53 -5.816 10.793 3.223
454 HB3 GLN 53 1HB GLN 53 -7.523 11.039 3.606
455 HG2 GLN 53 2HG GLN 53 -7.564 9.041 4.977
456 HG3 GLN 53 1HG GLN 53 -5.928 8.611 4.493
457 HE21 GLN 53 1HE2 GLN 53 -4.176 9.819 5.330
458 HE22 GLN 53 2HE2 GLN 53 -4.339 10.779 6.756
459 H ASN 54 H ASN 54 -5.511 10.234 0.392
460 HA ASN 54 HA ASN 54 -7.053 12.303 -0.885
461 HB2 ASN 54 2HB ASN 54 -4.445 10.960 -1.725
462 HB3 ASN 54 1HB ASN 54 -5.137 12.381 -2.508
463 HD21 ASN 54 1HD2 ASN 54 -2.557 12.052 -1.148
464 HD22 ASN 54 2HD2 ASN 54 -2.516 13.253 0.093
465 H ARG 55 H ARG 55 -6.229 8.941 -1.608
466 HA ARG 55 HA ARG 55 -7.355 8.938 -4.277
467 HE ARG 55 HE ARG 55 -2.293 7.827 -3.736
468 HB2 ARG 55 2HB ARG 55 -6.266 6.665 -2.568
469 HB3 ARG 55 1HB ARG 55 -6.737 6.510 -4.264
470 HG2 ARG 55 2HG ARG 55 -5.007 8.102 -4.932
471 HG3 ARG 55 1HG ARG 55 -4.576 8.385 -3.247
472 HD2 ARG 55 2HD ARG 55 -3.930 5.948 -3.095
473 HD3 ARG 55 1HD ARG 55 -4.185 5.838 -4.845
474 HH11 ARG 55 1HH1 ARG 55 -2.856 5.089 -5.856
475 HH12 ARG 55 2HH1 ARG 55 -1.209 5.014 -6.389
476 HH21 ARG 55 1HH2 ARG 55 -0.140 7.716 -4.459
477 HH22 ARG 55 2HH2 ARG 55 0.326 6.490 -5.591
478 H GLU 56 H GLU 56 -8.573 8.319 -1.102
479 HA GLU 56 HA GLU 56 -11.040 7.076 -2.027
480 HB2 GLU 56 2HB GLU 56 -10.308 8.268 0.687
481 HB3 GLU 56 1HB GLU 56 -11.805 7.405 0.338
482 HG2 GLU 56 2HG GLU 56 -9.019 6.207 0.173
483 HG3 GLU 56 1HG GLU 56 -10.100 6.043 1.556
484 H ARG 57 H ARG 57 -9.748 10.251 -1.684
485 HA ARG 57 HA ARG 57 -12.349 11.607 -1.656
486 HE ARG 57 HE ARG 57 -11.087 16.785 -1.151
487 HB2 ARG 57 2HB ARG 57 -10.544 12.320 -0.088
488 HB3 ARG 57 1HB ARG 57 -9.515 12.738 -1.454
489 HG2 ARG 57 2HG ARG 57 -11.058 14.520 -2.103
490 HG3 ARG 57 1HG ARG 57 -12.187 14.042 -0.833
491 HD2 ARG 57 2HD ARG 57 -10.575 14.698 0.891
492 HD3 ARG 57 1HD ARG 57 -9.370 15.077 -0.345
493 HH11 ARG 57 1HH1 ARG 57 -10.872 15.919 2.269
494 HH12 ARG 57 2HH1 ARG 57 -11.351 17.499 2.802
495 HH21 ARG 57 1HH2 ARG 57 -11.714 18.833 -0.402
496 HH22 ARG 57 2HH2 ARG 57 -11.807 19.136 1.303
497 H GLN 58 H GLN 58 -10.163 10.460 -3.989
498 HA GLN 58 HA GLN 58 -10.184 12.505 -5.949
499 HB2 GLN 58 2HB GLN 58 -9.804 9.497 -6.206
500 HB3 GLN 58 1HB GLN 58 -9.682 10.579 -7.589
501 HG2 GLN 58 2HG GLN 58 -7.950 10.803 -5.111
502 HG3 GLN 58 1HG GLN 58 -7.493 9.908 -6.556
503 HE21 GLN 58 1HE2 GLN 58 -5.669 11.192 -6.839
504 HE22 GLN 58 2HE2 GLN 58 -5.741 12.824 -7.401
505 H GLU 59 H GLU 59 -11.311 12.561 -7.978
506 HA GLU 59 HA GLU 59 -14.155 12.365 -7.714
507 HB2 GLU 59 2HB GLU 59 -12.986 14.181 -8.991
508 HB3 GLU 59 1HB GLU 59 -12.465 13.001 -10.184
509 HG2 GLU 59 2HG GLU 59 -14.382 14.327 -10.970
510 HG3 GLU 59 1HG GLU 59 -14.772 12.607 -10.867
511 H GLN 60 H GLN 60 -15.590 10.986 -8.746
512 HA GLN 60 HA GLN 60 -14.694 8.331 -9.308
513 HB2 GLN 60 2HB GLN 60 -17.153 7.874 -9.753
514 HB3 GLN 60 1HB GLN 60 -16.784 8.542 -8.171
515 HG2 GLN 60 2HG GLN 60 -17.551 10.778 -8.978
516 HG3 GLN 60 1HG GLN 60 -18.000 10.029 -10.515
517 HE21 GLN 60 1HE2 GLN 60 -18.764 10.296 -7.115
518 HE22 GLN 60 2HE2 GLN 60 -20.344 9.595 -7.199
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 23.004 0.219 -10.114
2 H2 GLY 1 2HT GLY 1 22.723 -1.162 -11.046
3 H3 GLY 1 3HT GLY 1 24.228 -0.928 -10.311
4 HA2 GLY 1 1HA GLY 1 22.904 -2.565 -9.133
5 HA3 GLY 1 2HA GLY 1 23.278 -1.164 -8.140
6 H SER 2 H SER 2 21.153 -2.917 -7.581
7 HA SER 2 HA SER 2 18.808 -1.118 -7.931
8 HG SER 2 HG SER 2 18.719 -2.473 -9.799
9 HB2 SER 2 2HB SER 2 18.779 -4.161 -7.594
10 HB3 SER 2 1HB SER 2 17.360 -3.116 -7.742
11 H GLU 3 H GLU 3 18.035 -0.300 -6.087
12 HA GLU 3 HA GLU 3 19.289 -0.747 -3.561
13 HB2 GLU 3 2HB GLU 3 16.805 0.838 -4.348
14 HB3 GLU 3 1HB GLU 3 17.521 0.868 -2.736
15 HG2 GLU 3 2HG GLU 3 19.508 1.920 -3.516
16 HG3 GLU 3 1HG GLU 3 19.104 1.610 -5.204
17 H HIS 4 H HIS 4 18.893 -2.436 -2.275
18 HA HIS 4 HA HIS 4 16.560 -4.117 -2.592
19 HD1 HIS 4 1HD HIS 4 18.294 -6.352 0.904
20 HD2 HIS 4 2HD HIS 4 16.521 -6.830 -2.823
21 HE1 HIS 4 1HE HIS 4 17.025 -8.513 1.039
22 HE2 HIS 4 2HE HIS 4 15.854 -8.705 -1.172
23 HB2 HIS 4 2HB HIS 4 18.928 -4.989 -2.286
24 HB3 HIS 4 1HB HIS 4 18.844 -4.459 -0.611
25 H VAL 5 H VAL 5 16.682 -1.301 -1.145
26 HA VAL 5 HA VAL 5 15.716 -1.781 1.496
27 HB VAL 5 HB VAL 5 16.827 0.327 0.990
28 HG11 VAL 5 1HG1 VAL 5 15.853 2.076 -0.470
29 HG12 VAL 5 2HG1 VAL 5 14.554 0.971 -0.924
30 HG13 VAL 5 3HG1 VAL 5 16.218 0.602 -1.375
31 HG21 VAL 5 3HG2 VAL 5 15.155 0.368 2.808
32 HG22 VAL 5 1HG2 VAL 5 13.897 0.834 1.658
33 HG23 VAL 5 2HG2 VAL 5 15.235 1.933 1.997
34 H PHE 6 H PHE 6 13.762 -2.401 2.070
35 HA PHE 6 HA PHE 6 11.433 -2.048 0.281
36 HD1 PHE 6 1HD PHE 6 10.175 -4.267 -0.761
37 HD2 PHE 6 2HD PHE 6 13.614 -5.442 1.506
38 HE1 PHE 6 1HE PHE 6 10.835 -5.821 -2.553
39 HE2 PHE 6 2HE PHE 6 14.260 -6.991 -0.292
40 HZ PHE 6 HZ PHE 6 12.873 -7.181 -2.317
41 HB2 PHE 6 2HB PHE 6 11.937 -4.048 2.528
42 HB3 PHE 6 1HB PHE 6 10.373 -3.837 1.746
43 H ALA 7 H ALA 7 10.689 -0.088 0.787
44 HA ALA 7 HA ALA 7 9.554 0.333 3.471
45 HB1 ALA 7 1HB ALA 7 11.632 1.677 3.373
46 HB2 ALA 7 2HB ALA 7 10.212 2.720 3.406
47 HB3 ALA 7 3HB ALA 7 11.079 2.457 1.889
48 H VAL 8 H VAL 8 7.428 0.840 3.311
49 HA VAL 8 HA VAL 8 6.144 1.031 0.750
50 HB VAL 8 HB VAL 8 4.911 1.620 3.483
51 HG11 VAL 8 1HG1 VAL 8 2.736 1.094 2.384
52 HG12 VAL 8 2HG1 VAL 8 3.564 0.910 0.837
53 HG13 VAL 8 3HG1 VAL 8 3.528 2.484 1.634
54 HG21 VAL 8 3HG2 VAL 8 5.870 -0.648 3.480
55 HG22 VAL 8 1HG2 VAL 8 4.997 -1.036 1.994
56 HG23 VAL 8 2HG2 VAL 8 4.108 -0.721 3.486
57 H GLU 9 H GLU 9 5.602 2.797 -0.356
58 HA GLU 9 HA GLU 9 6.478 5.433 0.618
59 HB2 GLU 9 2HB GLU 9 7.551 4.535 -1.419
60 HB3 GLU 9 1HB GLU 9 5.983 4.405 -2.205
61 HG2 GLU 9 2HG GLU 9 5.747 6.819 -2.248
62 HG3 GLU 9 1HG GLU 9 7.211 7.019 -1.280
63 H SER 10 H SER 10 3.818 3.747 -0.996
64 HA SER 10 HA SER 10 1.799 5.486 0.044
65 HG SER 10 HG SER 10 2.361 4.869 -3.556
66 HB2 SER 10 2HB SER 10 1.030 6.224 -2.315
67 HB3 SER 10 1HB SER 10 2.480 7.013 -1.692
68 H ILE 11 H ILE 11 -0.333 4.762 -0.502
69 HA ILE 11 HA ILE 11 -0.558 1.949 -1.286
70 HB ILE 11 HB ILE 11 -2.582 3.924 -0.129
71 HG12 ILE 11 2HG1 ILE 11 -1.268 1.443 1.074
72 HG13 ILE 11 1HG1 ILE 11 -0.818 3.103 1.448
73 HG21 ILE 11 1HG2 ILE 11 -3.022 0.990 -0.814
74 HG22 ILE 11 2HG2 ILE 11 -3.779 2.366 -1.620
75 HG23 ILE 11 3HG2 ILE 11 -4.158 2.013 0.065
76 HD11 ILE 11 3HD1 ILE 11 -2.162 2.087 3.193
77 HD12 ILE 11 1HD1 ILE 11 -3.482 1.825 2.060
78 HD13 ILE 11 2HD1 ILE 11 -2.990 3.468 2.483
79 H GLU 12 H GLU 12 -0.803 1.522 -3.354
80 HA GLU 12 HA GLU 12 -1.550 3.479 -5.339
81 HB2 GLU 12 2HB GLU 12 -0.900 0.509 -5.612
82 HB3 GLU 12 1HB GLU 12 -1.029 1.657 -6.942
83 HG2 GLU 12 2HG GLU 12 1.051 1.693 -4.736
84 HG3 GLU 12 1HG GLU 12 1.312 1.190 -6.404
85 H LYS 13 H LYS 13 -2.781 0.285 -4.311
86 HA LYS 13 HA LYS 13 -5.441 0.932 -5.426
87 HB2 LYS 13 2HB LYS 13 -3.982 -1.742 -5.522
88 HB3 LYS 13 1HB LYS 13 -5.666 -1.508 -5.991
89 HG2 LYS 13 2HG LYS 13 -4.953 0.013 -7.800
90 HG3 LYS 13 1HG LYS 13 -3.269 -0.213 -7.314
91 HD2 LYS 13 2HD LYS 13 -3.446 -2.634 -7.855
92 HD3 LYS 13 1HD LYS 13 -5.124 -2.391 -8.355
93 HE2 LYS 13 2HE LYS 13 -4.389 -0.878 -10.147
94 HE3 LYS 13 1HE LYS 13 -2.710 -1.060 -9.632
95 HZ1 LYS 13 3HZ LYS 13 -2.824 -3.384 -10.189
96 HZ2 LYS 13 1HZ LYS 13 -3.243 -2.438 -11.520
97 HZ3 LYS 13 2HZ LYS 13 -4.443 -3.232 -10.642
98 H LYS 14 H LYS 14 -7.137 -0.573 -4.565
99 HA LYS 14 HA LYS 14 -6.977 -1.018 -1.679
100 HB2 LYS 14 2HB LYS 14 -7.439 1.286 -1.500
101 HB3 LYS 14 1HB LYS 14 -8.291 1.350 -3.033
102 HG2 LYS 14 2HG LYS 14 -9.890 1.795 -1.330
103 HG3 LYS 14 1HG LYS 14 -10.229 0.176 -1.935
104 HD2 LYS 14 2HD LYS 14 -8.972 -0.736 0.062
105 HD3 LYS 14 1HD LYS 14 -8.866 0.918 0.679
106 HE2 LYS 14 2HE LYS 14 -11.384 -0.711 0.198
107 HE3 LYS 14 1HE LYS 14 -10.743 -0.168 1.747
108 HZ1 LYS 14 3HZ LYS 14 -12.573 1.208 1.084
109 HZ2 LYS 14 1HZ LYS 14 -11.850 1.555 -0.401
110 HZ3 LYS 14 2HZ LYS 14 -11.158 2.130 1.025
111 H ARG 15 H ARG 15 -8.375 -2.627 -1.089
112 HA ARG 15 HA ARG 15 -10.992 -2.820 -2.352
113 HE ARG 15 HE ARG 15 -7.921 -4.899 -4.669
114 HB2 ARG 15 2HB ARG 15 -10.938 -5.259 -2.672
115 HB3 ARG 15 1HB ARG 15 -9.734 -4.484 -3.687
116 HG2 ARG 15 2HG ARG 15 -8.845 -5.537 -1.002
117 HG3 ARG 15 1HG ARG 15 -9.180 -6.705 -2.280
118 HD2 ARG 15 2HD ARG 15 -7.225 -4.384 -2.465
119 HD3 ARG 15 1HD ARG 15 -6.792 -6.084 -2.216
120 HH11 ARG 15 1HH1 ARG 15 -6.334 -7.620 -3.137
121 HH12 ARG 15 2HH1 ARG 15 -6.268 -8.549 -4.599
122 HH21 ARG 15 1HH2 ARG 15 -7.828 -6.130 -6.564
123 HH22 ARG 15 2HH2 ARG 15 -7.079 -7.696 -6.537
124 H ILE 16 H ILE 16 -12.556 -3.461 -0.965
125 HA ILE 16 HA ILE 16 -11.785 -4.772 1.567
126 HB ILE 16 HB ILE 16 -14.251 -3.174 0.804
127 HG12 ILE 16 2HG1 ILE 16 -12.444 -3.171 3.247
128 HG13 ILE 16 1HG1 ILE 16 -12.319 -2.032 1.905
129 HG21 ILE 16 1HG2 ILE 16 -15.417 -3.949 2.867
130 HG22 ILE 16 2HG2 ILE 16 -14.141 -5.140 3.131
131 HG23 ILE 16 3HG2 ILE 16 -15.184 -5.267 1.715
132 HD11 ILE 16 3HD1 ILE 16 -13.382 -0.996 3.801
133 HD12 ILE 16 1HD1 ILE 16 -14.609 -2.259 3.865
134 HD13 ILE 16 2HD1 ILE 16 -14.552 -1.148 2.493
135 H ARG 17 H ARG 17 -12.275 -6.819 1.856
136 HA ARG 17 HA ARG 17 -14.192 -8.206 0.160
137 HE ARG 17 HE ARG 17 -12.399 -9.517 -3.168
138 HB2 ARG 17 2HB ARG 17 -11.836 -8.444 -0.803
139 HB3 ARG 17 1HB ARG 17 -11.373 -9.277 0.673
140 HG2 ARG 17 2HG ARG 17 -11.819 -10.913 -1.057
141 HG3 ARG 17 1HG ARG 17 -13.080 -11.031 0.175
142 HD2 ARG 17 2HD ARG 17 -13.999 -11.172 -2.135
143 HD3 ARG 17 1HD ARG 17 -14.638 -9.788 -1.243
144 HH11 ARG 17 1HH1 ARG 17 -15.573 -8.450 -2.087
145 HH12 ARG 17 2HH1 ARG 17 -15.614 -7.112 -3.187
146 HH21 ARG 17 1HH2 ARG 17 -12.496 -7.751 -4.586
147 HH22 ARG 17 2HH2 ARG 17 -13.886 -6.718 -4.589
148 H LYS 18 H LYS 18 -15.613 -8.797 1.712
149 HA LYS 18 HA LYS 18 -16.564 -10.087 3.310
150 HB2 LYS 18 2HB LYS 18 -15.074 -11.787 2.186
151 HB3 LYS 18 1HB LYS 18 -13.857 -11.478 3.413
152 HG2 LYS 18 2HG LYS 18 -15.333 -12.392 5.144
153 HG3 LYS 18 1HG LYS 18 -16.620 -12.621 3.954
154 HD2 LYS 18 2HD LYS 18 -15.406 -14.733 4.460
155 HD3 LYS 18 1HD LYS 18 -15.274 -14.282 2.757
156 HE2 LYS 18 2HE LYS 18 -13.010 -13.354 3.198
157 HE3 LYS 18 1HE LYS 18 -13.144 -13.836 4.891
158 HZ1 LYS 18 3HZ LYS 18 -11.886 -15.421 3.627
159 HZ2 LYS 18 1HZ LYS 18 -13.165 -15.650 2.550
160 HZ3 LYS 18 2HZ LYS 18 -13.322 -16.130 4.163
161 H GLY 19 H GLY 19 -15.475 -7.591 4.073
162 HA2 GLY 19 2HA GLY 19 -15.567 -6.429 6.105
163 HA3 GLY 19 1HA GLY 19 -15.295 -7.929 6.976
164 H ARG 20 H ARG 20 -12.954 -8.049 4.750
165 HA ARG 20 HA ARG 20 -10.920 -6.778 6.471
166 HE ARG 20 HE ARG 20 -9.601 -10.720 8.595
167 HB2 ARG 20 2HB ARG 20 -10.791 -9.015 4.405
168 HB3 ARG 20 1HB ARG 20 -9.332 -8.223 4.990
169 HG2 ARG 20 2HG ARG 20 -11.323 -9.727 6.725
170 HG3 ARG 20 1HG ARG 20 -9.772 -10.354 6.156
171 HD2 ARG 20 2HD ARG 20 -8.620 -8.502 7.372
172 HD3 ARG 20 1HD ARG 20 -10.184 -7.971 7.997
173 HH11 ARG 20 1HH1 ARG 20 -9.131 -7.408 9.710
174 HH12 ARG 20 2HH1 ARG 20 -8.774 -7.886 11.337
175 HH21 ARG 20 1HH2 ARG 20 -9.134 -11.323 10.703
176 HH22 ARG 20 2HH2 ARG 20 -8.762 -10.121 11.899
177 H VAL 21 H VAL 21 -9.264 -5.483 5.493
178 HA VAL 21 HA VAL 21 -9.792 -4.593 2.718
179 HB VAL 21 HB VAL 21 -10.594 -2.812 4.139
180 HG11 VAL 21 1HG1 VAL 21 -7.900 -2.740 5.520
181 HG12 VAL 21 2HG1 VAL 21 -9.403 -3.332 6.225
182 HG13 VAL 21 3HG1 VAL 21 -9.240 -1.624 5.804
183 HG21 VAL 21 3HG2 VAL 21 -7.900 -2.047 2.964
184 HG22 VAL 21 1HG2 VAL 21 -9.206 -0.925 3.356
185 HG23 VAL 21 2HG2 VAL 21 -9.430 -2.131 2.088
186 H GLU 22 H GLU 22 -8.094 -4.586 1.381
187 HA GLU 22 HA GLU 22 -5.367 -5.092 2.428
188 HB2 GLU 22 2HB GLU 22 -6.338 -7.148 1.455
189 HB3 GLU 22 1HB GLU 22 -6.690 -6.297 -0.044
190 HG2 GLU 22 2HG GLU 22 -4.243 -5.970 -0.394
191 HG3 GLU 22 1HG GLU 22 -3.933 -6.888 1.081
192 H TYR 23 H TYR 23 -3.651 -4.192 1.219
193 HA TYR 23 HA TYR 23 -4.349 -1.960 -0.604
194 HD1 TYR 23 1HD TYR 23 -5.415 -0.162 0.330
195 HD2 TYR 23 2HD TYR 23 -3.323 -1.430 3.841
196 HE1 TYR 23 1HE TYR 23 -7.185 0.786 1.737
197 HE2 TYR 23 2HE TYR 23 -5.103 -0.480 5.251
198 HH TYR 23 HH TYR 23 -6.852 1.268 5.081
199 HB2 TYR 23 2HB TYR 23 -2.381 -1.904 1.732
200 HB3 TYR 23 1HB TYR 23 -2.645 -0.585 0.593
201 H LEU 24 H LEU 24 -3.040 -1.755 -2.364
202 HA LEU 24 HA LEU 24 -0.721 -3.502 -2.737
203 HG LEU 24 HG LEU 24 0.543 -1.918 -5.143
204 HB2 LEU 24 2HB LEU 24 -2.270 -2.995 -4.645
205 HB3 LEU 24 1HB LEU 24 -1.824 -1.300 -4.543
206 HD11 LEU 24 1HD1 LEU 24 -0.572 -4.707 -5.573
207 HD12 LEU 24 2HD1 LEU 24 0.585 -4.225 -4.329
208 HD13 LEU 24 3HD1 LEU 24 1.044 -4.155 -6.028
209 HD21 LEU 24 3HD2 LEU 24 -1.535 -2.843 -7.150
210 HD22 LEU 24 1HD2 LEU 24 0.121 -2.351 -7.517
211 HD23 LEU 24 2HD2 LEU 24 -1.026 -1.173 -6.883
212 H VAL 25 H VAL 25 1.077 -2.908 -1.702
213 HA VAL 25 HA VAL 25 1.580 -0.128 -0.963
214 HB VAL 25 HB VAL 25 3.425 -1.014 0.403
215 HG11 VAL 25 1HG1 VAL 25 0.883 -2.665 0.716
216 HG12 VAL 25 2HG1 VAL 25 1.156 -1.038 1.348
217 HG13 VAL 25 3HG1 VAL 25 2.099 -2.391 1.969
218 HG21 VAL 25 3HG2 VAL 25 3.918 -3.437 0.558
219 HG22 VAL 25 1HG2 VAL 25 4.237 -2.828 -1.069
220 HG23 VAL 25 2HG2 VAL 25 2.776 -3.762 -0.747
221 H LYS 26 H LYS 26 3.048 1.174 -1.913
222 HA LYS 26 HA LYS 26 4.553 0.217 -4.225
223 HB2 LYS 26 2HB LYS 26 3.245 2.520 -3.972
224 HB3 LYS 26 1HB LYS 26 4.698 3.065 -3.155
225 HG2 LYS 26 2HG LYS 26 4.545 2.020 -6.009
226 HG3 LYS 26 1HG LYS 26 4.658 3.716 -5.539
227 HD2 LYS 26 2HD LYS 26 6.910 3.309 -4.582
228 HD3 LYS 26 1HD LYS 26 6.789 1.599 -5.011
229 HE2 LYS 26 2HE LYS 26 8.162 2.782 -6.646
230 HE3 LYS 26 1HE LYS 26 6.673 2.222 -7.408
231 HZ1 LYS 26 3HZ LYS 26 7.126 4.975 -6.402
232 HZ2 LYS 26 1HZ LYS 26 5.772 4.422 -7.250
233 HZ3 LYS 26 2HZ LYS 26 7.275 4.500 -8.020
234 H TRP 27 H TRP 27 6.162 -1.106 -3.300
235 HA TRP 27 HA TRP 27 7.997 -0.257 -1.282
236 HD1 TRP 27 HD TRP 27 6.734 -4.296 -3.154
237 HE1 TRP 27 1HE TRP 27 5.765 -5.516 -1.107
238 HE3 TRP 27 3HE TRP 27 8.732 -1.416 0.555
239 HZ2 TRP 27 2HZ TRP 27 5.831 -5.297 1.690
240 HZ3 TRP 27 3HZ TRP 27 8.231 -1.982 2.889
241 HH2 TRP 27 HH TRP 27 6.811 -3.879 3.448
242 HB2 TRP 27 2HB TRP 27 8.352 -2.303 -3.531
243 HB3 TRP 27 1HB TRP 27 9.473 -2.090 -2.191
244 H ARG 28 H ARG 28 9.000 1.670 -1.594
245 HA ARG 28 HA ARG 28 9.577 2.796 -4.137
246 HE ARG 28 HE ARG 28 10.340 6.537 -1.534
247 HB2 ARG 28 2HB ARG 28 10.638 4.637 -2.878
248 HB3 ARG 28 1HB ARG 28 9.051 4.217 -2.254
249 HG2 ARG 28 2HG ARG 28 10.219 2.897 -0.426
250 HG3 ARG 28 1HG ARG 28 11.736 3.595 -1.002
251 HD2 ARG 28 2HD ARG 28 9.346 5.091 0.122
252 HD3 ARG 28 1HD ARG 28 10.931 4.906 0.873
253 HH11 ARG 28 1HH1 ARG 28 12.442 5.859 1.206
254 HH12 ARG 28 2HH1 ARG 28 13.369 7.310 1.003
255 HH21 ARG 28 1HH2 ARG 28 11.575 8.436 -1.783
256 HH22 ARG 28 2HH2 ARG 28 12.870 8.774 -0.678
257 H GLY 29 H GLY 29 11.503 3.081 -5.221
258 HA2 GLY 29 2HA GLY 29 13.756 2.573 -5.775
259 HA3 GLY 29 1HA GLY 29 13.812 1.389 -4.472
260 H TRP 30 H TRP 30 11.223 0.244 -5.152
261 HA TRP 30 HA TRP 30 11.973 -1.444 -7.445
262 HD1 TRP 30 HD TRP 30 11.332 -1.635 -3.111
263 HE1 TRP 30 1HE TRP 30 13.348 -2.933 -2.193
264 HE3 TRP 30 3HE TRP 30 12.521 -4.361 -7.281
265 HZ2 TRP 30 2HZ TRP 30 15.192 -4.852 -3.104
266 HZ3 TRP 30 3HZ TRP 30 14.435 -5.902 -7.167
267 HH2 TRP 30 HH TRP 30 15.747 -6.143 -5.118
268 HB2 TRP 30 2HB TRP 30 9.836 -1.902 -5.306
269 HB3 TRP 30 1HB TRP 30 10.371 -3.067 -6.518
270 H SER 31 H SER 31 10.576 -1.735 -9.174
271 HA SER 31 HA SER 31 8.802 0.375 -9.886
272 HG SER 31 HG SER 31 10.602 0.070 -11.460
273 HB2 SER 31 2HB SER 31 9.149 -2.349 -11.215
274 HB3 SER 31 1HB SER 31 8.470 -0.899 -11.963
275 HA PRO 32 HA PRO 32 4.686 -0.834 -8.323
276 HB2 PRO 32 2HB PRO 32 3.980 -0.590 -11.267
277 HB3 PRO 32 1HB PRO 32 3.073 -0.030 -9.848
278 HG2 PRO 32 2HG PRO 32 4.556 1.698 -11.214
279 HG3 PRO 32 1HG PRO 32 4.556 1.751 -9.439
280 HD2 PRO 32 2HD PRO 32 6.679 0.749 -11.307
281 HD3 PRO 32 1HD PRO 32 6.845 1.507 -9.708
282 H LYS 33 H LYS 33 5.826 -2.449 -11.288
283 HA LYS 33 HA LYS 33 4.117 -4.722 -11.117
284 HB2 LYS 33 2HB LYS 33 5.546 -5.699 -12.860
285 HB3 LYS 33 1HB LYS 33 5.153 -4.023 -13.228
286 HG2 LYS 33 2HG LYS 33 7.396 -3.316 -12.455
287 HG3 LYS 33 1HG LYS 33 7.793 -4.996 -12.075
288 HD2 LYS 33 2HD LYS 33 7.502 -5.582 -14.476
289 HD3 LYS 33 1HD LYS 33 7.158 -3.887 -14.835
290 HE2 LYS 33 2HE LYS 33 9.429 -3.265 -14.090
291 HE3 LYS 33 1HE LYS 33 9.769 -4.955 -13.699
292 HZ1 LYS 33 3HZ LYS 33 9.428 -5.513 -16.027
293 HZ2 LYS 33 1HZ LYS 33 10.658 -4.368 -15.845
294 HZ3 LYS 33 2HZ LYS 33 9.132 -3.890 -16.395
295 H TYR 34 H TYR 34 7.312 -4.026 -9.780
296 HA TYR 34 HA TYR 34 7.799 -6.700 -8.783
297 HD1 TYR 34 1HD TYR 34 9.803 -7.516 -9.508
298 HD2 TYR 34 2HD TYR 34 10.612 -3.342 -9.920
299 HE1 TYR 34 1HE TYR 34 11.265 -7.991 -11.416
300 HE2 TYR 34 2HE TYR 34 12.072 -3.820 -11.841
301 HH TYR 34 HH TYR 34 13.426 -5.773 -12.674
302 HB2 TYR 34 2HB TYR 34 9.159 -4.032 -8.209
303 HB3 TYR 34 1HB TYR 34 9.678 -5.555 -7.490
304 H ASN 35 H ASN 35 6.128 -3.851 -7.667
305 HA ASN 35 HA ASN 35 6.185 -4.383 -4.860
306 HB2 ASN 35 2HB ASN 35 4.152 -2.753 -6.442
307 HB3 ASN 35 1HB ASN 35 4.387 -2.701 -4.702
308 HD21 ASN 35 1HD2 ASN 35 7.435 -2.816 -5.187
309 HD22 ASN 35 2HD2 ASN 35 7.820 -1.197 -5.641
310 H THR 36 H THR 36 4.080 -4.836 -3.589
311 HA THR 36 HA THR 36 2.391 -6.869 -4.857
312 HB THR 36 HB THR 36 4.441 -8.107 -4.148
313 HG1 THR 36 1HG THR 36 3.303 -9.728 -2.974
314 HG21 THR 36 3HG2 THR 36 3.688 -7.271 -1.323
315 HG22 THR 36 1HG2 THR 36 5.123 -6.750 -2.210
316 HG23 THR 36 2HG2 THR 36 4.937 -8.442 -1.750
317 H TRP 37 H TRP 37 0.903 -7.845 -3.102
318 HA TRP 37 HA TRP 37 -0.503 -5.621 -1.855
319 HD1 TRP 37 HD TRP 37 -0.876 -8.630 -4.819
320 HE1 TRP 37 1HE TRP 37 -2.116 -7.515 -6.773
321 HE3 TRP 37 3HE TRP 37 -3.543 -5.135 -2.209
322 HZ2 TRP 37 2HZ TRP 37 -3.957 -5.430 -7.169
323 HZ3 TRP 37 3HZ TRP 37 -5.019 -3.606 -3.453
324 HH2 TRP 37 HH TRP 37 -5.218 -3.759 -5.887
325 HB2 TRP 37 2HB TRP 37 -1.260 -8.562 -2.160
326 HB3 TRP 37 1HB TRP 37 -2.319 -7.299 -1.532
327 H GLU 38 H GLU 38 -0.998 -5.464 0.306
328 HA GLU 38 HA GLU 38 0.179 -7.329 2.249
329 HB2 GLU 38 2HB GLU 38 0.655 -4.306 2.246
330 HB3 GLU 38 1HB GLU 38 1.010 -5.350 3.616
331 HG2 GLU 38 2HG GLU 38 2.357 -5.365 0.905
332 HG3 GLU 38 1HG GLU 38 3.055 -4.850 2.436
333 HA PRO 39 HA PRO 39 -3.754 -6.685 4.297
334 HB2 PRO 39 2HB PRO 39 -3.102 -7.234 6.909
335 HB3 PRO 39 1HB PRO 39 -3.215 -8.482 5.660
336 HG2 PRO 39 2HG PRO 39 -0.748 -7.058 6.684
337 HG3 PRO 39 1HG PRO 39 -1.009 -8.804 6.445
338 HD2 PRO 39 2HD PRO 39 0.317 -7.337 4.621
339 HD3 PRO 39 1HD PRO 39 -0.778 -8.644 4.114
340 H GLU 40 H GLU 40 -4.867 -5.430 5.880
341 HA GLU 40 HA GLU 40 -4.348 -2.703 6.044
342 HB2 GLU 40 2HB GLU 40 -6.194 -2.721 7.771
343 HB3 GLU 40 1HB GLU 40 -6.579 -3.570 6.279
344 HG2 GLU 40 2HG GLU 40 -6.025 -5.728 7.396
345 HG3 GLU 40 1HG GLU 40 -5.756 -4.854 8.900
346 H GLU 41 H GLU 41 -3.526 -5.280 8.303
347 HA GLU 41 HA GLU 41 -2.854 -3.693 10.573
348 HB2 GLU 41 2HB GLU 41 -1.894 -5.810 11.464
349 HB3 GLU 41 1HB GLU 41 -3.486 -6.064 10.756
350 HG2 GLU 41 2HG GLU 41 -2.311 -6.845 8.642
351 HG3 GLU 41 1HG GLU 41 -0.804 -6.804 9.553
352 H ASN 42 H ASN 42 -1.128 -4.643 7.708
353 HA ASN 42 HA ASN 42 1.552 -4.264 8.655
354 HB2 ASN 42 2HB ASN 42 0.820 -5.707 6.675
355 HB3 ASN 42 1HB ASN 42 0.554 -4.228 5.766
356 HD21 ASN 42 1HD2 ASN 42 2.408 -6.515 5.406
357 HD22 ASN 42 2HD2 ASN 42 3.960 -5.797 5.225
358 H ILE 43 H ILE 43 -0.852 -2.311 6.918
359 HA ILE 43 HA ILE 43 0.843 0.057 6.856
360 HB ILE 43 HB ILE 43 -2.098 -0.211 6.101
361 HG12 ILE 43 2HG1 ILE 43 -0.721 -1.653 4.656
362 HG13 ILE 43 1HG1 ILE 43 -1.280 -0.262 3.734
363 HG21 ILE 43 1HG2 ILE 43 -1.782 1.925 4.902
364 HG22 ILE 43 2HG2 ILE 43 -0.115 2.013 5.465
365 HG23 ILE 43 3HG2 ILE 43 -1.443 2.121 6.620
366 HD11 ILE 43 3HD1 ILE 43 1.001 -0.749 3.188
367 HD12 ILE 43 1HD1 ILE 43 1.485 -0.673 4.878
368 HD13 ILE 43 2HD1 ILE 43 0.945 0.787 4.041
369 H LEU 44 H LEU 44 1.239 0.167 9.087
370 HA LEU 44 HA LEU 44 -0.954 0.955 10.881
371 HG LEU 44 HG LEU 44 0.906 -0.654 13.687
372 HB2 LEU 44 2HB LEU 44 1.225 -0.697 11.290
373 HB3 LEU 44 1HB LEU 44 1.864 0.805 11.917
374 HD11 LEU 44 1HD1 LEU 44 -0.664 1.921 13.374
375 HD12 LEU 44 2HD1 LEU 44 0.942 1.756 14.088
376 HD13 LEU 44 3HD1 LEU 44 -0.445 1.002 14.869
377 HD21 LEU 44 3HD2 LEU 44 -1.766 -0.246 12.295
378 HD22 LEU 44 1HD2 LEU 44 -1.512 -1.057 13.845
379 HD23 LEU 44 2HD2 LEU 44 -0.850 -1.754 12.369
380 H ASP 45 H ASP 45 1.657 2.270 9.024
381 HA ASP 45 HA ASP 45 2.070 4.715 10.432
382 HB2 ASP 45 2HB ASP 45 3.785 3.788 8.915
383 HB3 ASP 45 1HB ASP 45 2.706 3.977 7.541
384 HA PRO 46 HA PRO 46 -1.830 6.600 9.204
385 HB2 PRO 46 2HB PRO 46 -0.644 9.171 10.185
386 HB3 PRO 46 1HB PRO 46 -2.095 8.313 10.728
387 HG2 PRO 46 2HG PRO 46 0.132 8.338 12.225
388 HG3 PRO 46 1HG PRO 46 -0.887 6.884 12.139
389 HD2 PRO 46 2HD PRO 46 1.694 7.483 10.671
390 HD3 PRO 46 1HD PRO 46 1.199 5.993 11.511
391 H ARG 47 H ARG 47 1.281 7.904 8.066
392 HA ARG 47 HA ARG 47 0.135 9.820 6.231
393 HE ARG 47 HE ARG 47 4.822 9.128 6.672
394 HB2 ARG 47 2HB ARG 47 2.952 8.671 6.155
395 HB3 ARG 47 1HB ARG 47 2.394 10.157 5.387
396 HG2 ARG 47 2HG ARG 47 1.941 11.092 7.678
397 HG3 ARG 47 1HG ARG 47 2.666 9.634 8.364
398 HD2 ARG 47 2HD ARG 47 4.037 11.728 6.642
399 HD3 ARG 47 1HD ARG 47 4.315 11.409 8.356
400 HH11 ARG 47 1HH1 ARG 47 6.295 12.000 8.060
401 HH12 ARG 47 2HH1 ARG 47 7.913 11.454 7.760
402 HH21 ARG 47 1HH2 ARG 47 6.927 8.454 6.256
403 HH22 ARG 47 2HH2 ARG 47 8.268 9.445 6.739
404 H LEU 48 H LEU 48 1.150 6.455 6.039
405 HA LEU 48 HA LEU 48 0.768 6.095 3.221
406 HG LEU 48 HG LEU 48 2.821 5.033 5.489
407 HB2 LEU 48 2HB LEU 48 0.550 4.052 5.467
408 HB3 LEU 48 1HB LEU 48 0.716 3.679 3.756
409 HD11 LEU 48 1HD1 LEU 48 2.575 2.685 6.066
410 HD12 LEU 48 2HD1 LEU 48 4.102 2.952 5.229
411 HD13 LEU 48 3HD1 LEU 48 2.746 2.216 4.370
412 HD21 LEU 48 3HD2 LEU 48 2.975 4.215 2.568
413 HD22 LEU 48 1HD2 LEU 48 4.324 4.804 3.544
414 HD23 LEU 48 2HD2 LEU 48 2.961 5.864 3.199
415 H LEU 49 H LEU 49 -1.290 5.792 6.090
416 HA LEU 49 HA LEU 49 -3.682 4.958 4.798
417 HG LEU 49 HG LEU 49 -2.395 3.990 7.336
418 HB2 LEU 49 2HB LEU 49 -3.233 6.392 7.441
419 HB3 LEU 49 1HB LEU 49 -4.807 5.810 6.918
420 HD11 LEU 49 1HD1 LEU 49 -4.704 4.492 9.244
421 HD12 LEU 49 2HD1 LEU 49 -3.029 4.998 9.476
422 HD13 LEU 49 3HD1 LEU 49 -3.431 3.284 9.444
423 HD21 LEU 49 3HD2 LEU 49 -4.054 2.161 7.259
424 HD22 LEU 49 1HD2 LEU 49 -4.043 3.084 5.757
425 HD23 LEU 49 2HD2 LEU 49 -5.338 3.327 6.930
426 H ILE 50 H ILE 50 -2.162 8.120 5.151
427 HA ILE 50 HA ILE 50 -4.384 9.718 4.341
428 HB ILE 50 HB ILE 50 -1.383 10.232 4.154
429 HG12 ILE 50 2HG1 ILE 50 -3.522 11.388 6.004
430 HG13 ILE 50 1HG1 ILE 50 -2.336 10.170 6.453
431 HG21 ILE 50 1HG2 ILE 50 -1.889 12.597 3.626
432 HG22 ILE 50 2HG2 ILE 50 -3.604 12.206 3.496
433 HG23 ILE 50 3HG2 ILE 50 -2.453 11.516 2.350
434 HD11 ILE 50 3HD1 ILE 50 -1.698 12.326 7.314
435 HD12 ILE 50 1HD1 ILE 50 -1.761 13.035 5.700
436 HD13 ILE 50 2HD1 ILE 50 -0.540 11.819 6.086
437 H ALA 51 H ALA 51 -1.738 8.120 2.521
438 HA ALA 51 HA ALA 51 -2.422 8.915 -0.083
439 HB1 ALA 51 1HB ALA 51 -1.183 6.926 -0.855
440 HB2 ALA 51 2HB ALA 51 -1.221 6.263 0.781
441 HB3 ALA 51 3HB ALA 51 -0.322 7.744 0.450
442 H PHE 52 H PHE 52 -3.627 6.237 1.877
443 HA PHE 52 HA PHE 52 -5.486 5.073 0.117
444 HD1 PHE 52 1HD PHE 52 -7.396 3.120 0.939
445 HD2 PHE 52 2HD PHE 52 -6.890 5.330 4.567
446 HE1 PHE 52 1HE PHE 52 -9.632 2.434 1.688
447 HE2 PHE 52 2HE PHE 52 -9.127 4.631 5.302
448 HZ PHE 52 HZ PHE 52 -10.498 3.180 3.864
449 HB2 PHE 52 2HB PHE 52 -5.023 3.800 2.025
450 HB3 PHE 52 1HB PHE 52 -5.090 5.181 3.102
451 H GLN 53 H GLN 53 -6.018 7.619 2.610
452 HA GLN 53 HA GLN 53 -8.789 7.990 2.213
453 HB2 GLN 53 2HB GLN 53 -6.684 9.876 3.339
454 HB3 GLN 53 1HB GLN 53 -8.416 10.197 3.411
455 HG2 GLN 53 2HG GLN 53 -8.789 8.295 4.837
456 HG3 GLN 53 1HG GLN 53 -7.124 7.747 4.635
457 HE21 GLN 53 1HE2 GLN 53 -5.462 8.841 5.754
458 HE22 GLN 53 2HE2 GLN 53 -5.796 9.917 7.061
459 H ASN 54 H ASN 54 -6.013 9.560 0.737
460 HA ASN 54 HA ASN 54 -7.348 11.575 -0.745
461 HB2 ASN 54 2HB ASN 54 -4.623 10.242 -1.094
462 HB3 ASN 54 1HB ASN 54 -5.185 11.538 -2.151
463 HD21 ASN 54 1HD2 ASN 54 -3.451 12.825 -1.488
464 HD22 ASN 54 2HD2 ASN 54 -3.425 13.617 0.042
465 H ARG 55 H ARG 55 -6.428 8.218 -1.466
466 HA ARG 55 HA ARG 55 -7.301 8.231 -4.193
467 HE ARG 55 HE ARG 55 -6.427 4.809 -7.422
468 HB2 ARG 55 2HB ARG 55 -5.605 6.628 -3.263
469 HB3 ARG 55 1HB ARG 55 -6.876 5.852 -2.326
470 HG2 ARG 55 2HG ARG 55 -6.321 4.573 -4.367
471 HG3 ARG 55 1HG ARG 55 -7.998 5.127 -4.383
472 HD2 ARG 55 2HD ARG 55 -7.270 7.059 -5.834
473 HD3 ARG 55 1HD ARG 55 -5.664 6.339 -5.908
474 HH11 ARG 55 1HH1 ARG 55 -9.278 6.266 -5.934
475 HH12 ARG 55 2HH1 ARG 55 -10.344 5.711 -7.184
476 HH21 ARG 55 1HH2 ARG 55 -7.856 4.079 -9.023
477 HH22 ARG 55 2HH2 ARG 55 -9.542 4.482 -8.925
478 H GLU 56 H GLU 56 -8.922 7.817 -1.139
479 HA GLU 56 HA GLU 56 -11.334 6.598 -2.184
480 HB2 GLU 56 2HB GLU 56 -10.766 7.910 0.511
481 HB3 GLU 56 1HB GLU 56 -12.238 7.028 0.113
482 HG2 GLU 56 2HG GLU 56 -9.446 5.856 0.213
483 HG3 GLU 56 1HG GLU 56 -10.691 5.665 1.439
484 H ARG 57 H ARG 57 -10.144 9.865 -1.750
485 HA ARG 57 HA ARG 57 -12.832 10.976 -2.362
486 HE ARG 57 HE ARG 57 -10.415 14.892 -0.550
487 HB2 ARG 57 2HB ARG 57 -11.832 11.498 -0.081
488 HB3 ARG 57 1HB ARG 57 -10.559 12.394 -0.901
489 HG2 ARG 57 2HG ARG 57 -12.296 13.921 -1.855
490 HG3 ARG 57 1HG ARG 57 -13.536 13.035 -0.966
491 HD2 ARG 57 2HD ARG 57 -12.937 15.093 0.205
492 HD3 ARG 57 1HD ARG 57 -12.462 13.684 1.159
493 HH11 ARG 57 1HH1 ARG 57 -11.691 14.535 2.684
494 HH12 ARG 57 2HH1 ARG 57 -10.267 15.160 3.444
495 HH21 ARG 57 1HH2 ARG 57 -8.537 15.664 0.453
496 HH22 ARG 57 2HH2 ARG 57 -8.480 15.797 2.181
497 H GLN 58 H GLN 58 -10.151 10.215 -4.008
498 HA GLN 58 HA GLN 58 -9.446 12.660 -5.314
499 HB2 GLN 58 2HB GLN 58 -8.204 11.263 -6.922
500 HB3 GLN 58 1HB GLN 58 -7.877 10.770 -5.271
501 HG2 GLN 58 2HG GLN 58 -8.050 8.729 -6.368
502 HG3 GLN 58 1HG GLN 58 -9.661 8.915 -5.694
503 HE21 GLN 58 1HE2 GLN 58 -8.499 10.605 -8.558
504 HE22 GLN 58 2HE2 GLN 58 -9.495 9.768 -9.686
505 H GLU 59 H GLU 59 -9.966 13.365 -7.420
506 HA GLU 59 HA GLU 59 -12.685 12.754 -8.316
507 HB2 GLU 59 2HB GLU 59 -11.799 15.131 -8.109
508 HB3 GLU 59 1HB GLU 59 -10.695 14.787 -9.433
509 HG2 GLU 59 2HG GLU 59 -12.523 15.967 -10.387
510 HG3 GLU 59 1HG GLU 59 -12.743 14.285 -10.864
511 H GLN 60 H GLN 60 -12.862 11.013 -9.620
512 HA GLN 60 HA GLN 60 -10.757 9.688 -10.894
513 HB2 GLN 60 2HB GLN 60 -12.383 8.179 -11.874
514 HB3 GLN 60 1HB GLN 60 -12.860 8.549 -10.231
515 HG2 GLN 60 2HG GLN 60 -14.121 9.740 -12.722
516 HG3 GLN 60 1HG GLN 60 -14.777 8.400 -11.786
517 HE21 GLN 60 1HE2 GLN 60 -14.213 11.837 -11.859
518 HE22 GLN 60 2HE2 GLN 60 -15.283 12.239 -10.566
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 22.957 5.073 3.785
2 H2 GLY 1 2HT GLY 1 21.952 6.281 4.389
3 H3 GLY 1 3HT GLY 1 23.161 6.670 3.278
4 HA2 GLY 1 1HA GLY 1 21.027 6.647 2.197
5 HA3 GLY 1 2HA GLY 1 22.072 5.372 1.580
6 H SER 2 H SER 2 19.026 5.830 2.029
7 HA SER 2 HA SER 2 18.380 3.230 3.296
8 HG SER 2 HG SER 2 16.709 6.740 3.047
9 HB2 SER 2 2HB SER 2 16.017 4.151 3.289
10 HB3 SER 2 1HB SER 2 17.147 5.093 4.258
11 H GLU 3 H GLU 3 19.638 3.299 0.776
12 HA GLU 3 HA GLU 3 17.843 3.426 -1.443
13 HB2 GLU 3 2HB GLU 3 20.548 2.039 -1.522
14 HB3 GLU 3 1HB GLU 3 19.733 2.935 -2.799
15 HG2 GLU 3 2HG GLU 3 21.157 4.045 -0.360
16 HG3 GLU 3 1HG GLU 3 21.647 4.178 -2.046
17 H HIS 4 H HIS 4 19.715 0.720 -0.067
18 HA HIS 4 HA HIS 4 18.022 -1.297 -1.364
19 HD1 HIS 4 1HD HIS 4 21.735 -3.556 -1.926
20 HD2 HIS 4 2HD HIS 4 20.227 0.230 -2.738
21 HE1 HIS 4 1HE HIS 4 22.811 -2.855 -4.087
22 HE2 HIS 4 2HE HIS 4 21.749 -0.641 -4.632
23 HB2 HIS 4 2HB HIS 4 20.621 -1.517 0.218
24 HB3 HIS 4 1HB HIS 4 19.753 -2.906 -0.426
25 H VAL 5 H VAL 5 17.853 0.427 1.406
26 HA VAL 5 HA VAL 5 16.990 -1.595 3.293
27 HB VAL 5 HB VAL 5 16.789 1.459 3.336
28 HG11 VAL 5 1HG1 VAL 5 16.249 -0.482 5.617
29 HG12 VAL 5 2HG1 VAL 5 15.051 0.525 4.799
30 HG13 VAL 5 3HG1 VAL 5 16.323 1.277 5.762
31 HG21 VAL 5 3HG2 VAL 5 18.697 1.370 4.904
32 HG22 VAL 5 1HG2 VAL 5 19.117 0.641 3.351
33 HG23 VAL 5 2HG2 VAL 5 18.762 -0.388 4.742
34 H PHE 6 H PHE 6 14.976 -2.509 3.218
35 HA PHE 6 HA PHE 6 12.950 -1.566 1.414
36 HD1 PHE 6 1HD PHE 6 14.805 -4.502 3.796
37 HD2 PHE 6 2HD PHE 6 10.594 -3.889 4.261
38 HE1 PHE 6 1HE PHE 6 14.879 -5.584 6.011
39 HE2 PHE 6 2HE PHE 6 10.684 -4.972 6.472
40 HZ PHE 6 HZ PHE 6 12.825 -5.818 7.347
41 HB2 PHE 6 2HB PHE 6 11.620 -3.496 2.108
42 HB3 PHE 6 1HB PHE 6 13.274 -3.993 1.803
43 H ALA 7 H ALA 7 11.382 -0.185 1.806
44 HA ALA 7 HA ALA 7 10.122 0.174 4.385
45 HB1 ALA 7 1HB ALA 7 11.626 2.484 3.086
46 HB2 ALA 7 2HB ALA 7 12.064 1.684 4.594
47 HB3 ALA 7 3HB ALA 7 10.567 2.614 4.495
48 H VAL 8 H VAL 8 8.000 0.865 4.090
49 HA VAL 8 HA VAL 8 6.971 0.685 1.405
50 HB VAL 8 HB VAL 8 5.353 1.468 3.848
51 HG11 VAL 8 1HG1 VAL 8 4.192 1.702 1.676
52 HG12 VAL 8 2HG1 VAL 8 3.477 0.395 2.620
53 HG13 VAL 8 3HG1 VAL 8 4.567 0.020 1.283
54 HG21 VAL 8 3HG2 VAL 8 4.884 -0.916 4.264
55 HG22 VAL 8 1HG2 VAL 8 6.607 -0.570 4.441
56 HG23 VAL 8 2HG2 VAL 8 6.011 -1.370 2.983
57 H GLU 9 H GLU 9 5.679 2.359 0.365
58 HA GLU 9 HA GLU 9 6.913 5.025 0.764
59 HB2 GLU 9 2HB GLU 9 7.735 3.573 -1.205
60 HB3 GLU 9 1HB GLU 9 6.141 3.764 -1.917
61 HG2 GLU 9 2HG GLU 9 7.960 6.102 -1.239
62 HG3 GLU 9 1HG GLU 9 8.009 5.273 -2.791
63 H SER 10 H SER 10 4.104 3.294 -0.687
64 HA SER 10 HA SER 10 2.215 5.248 0.338
65 HG SER 10 HG SER 10 3.884 6.633 -1.441
66 HB2 SER 10 2HB SER 10 2.701 5.026 -2.667
67 HB3 SER 10 1HB SER 10 1.242 5.740 -1.976
68 H ILE 11 H ILE 11 -0.052 4.662 -0.279
69 HA ILE 11 HA ILE 11 -0.475 1.811 -0.939
70 HB ILE 11 HB ILE 11 -2.340 3.942 0.218
71 HG12 ILE 11 2HG1 ILE 11 -1.424 1.252 1.333
72 HG13 ILE 11 1HG1 ILE 11 -0.779 2.816 1.818
73 HG21 ILE 11 1HG2 ILE 11 -4.166 2.256 0.240
74 HG22 ILE 11 2HG2 ILE 11 -3.148 1.142 -0.672
75 HG23 ILE 11 3HG2 ILE 11 -3.672 2.658 -1.409
76 HD11 ILE 11 3HD1 ILE 11 -2.977 3.418 2.742
77 HD12 ILE 11 1HD1 ILE 11 -2.322 1.952 3.467
78 HD13 ILE 11 2HD1 ILE 11 -3.607 1.836 2.264
79 H GLU 12 H GLU 12 -0.899 1.359 -2.998
80 HA GLU 12 HA GLU 12 -1.406 3.417 -4.980
81 HB2 GLU 12 2HB GLU 12 -0.941 0.417 -5.282
82 HB3 GLU 12 1HB GLU 12 -1.078 1.562 -6.616
83 HG2 GLU 12 2HG GLU 12 1.088 1.547 -4.491
84 HG3 GLU 12 1HG GLU 12 1.256 0.966 -6.150
85 H LYS 13 H LYS 13 -3.002 0.481 -3.739
86 HA LYS 13 HA LYS 13 -5.598 1.352 -4.826
87 HB2 LYS 13 2HB LYS 13 -4.392 -1.423 -5.236
88 HB3 LYS 13 1HB LYS 13 -6.057 -0.990 -5.617
89 HG2 LYS 13 2HG LYS 13 -5.248 0.587 -7.341
90 HG3 LYS 13 1HG LYS 13 -3.576 0.174 -6.936
91 HD2 LYS 13 2HD LYS 13 -4.019 -2.184 -7.630
92 HD3 LYS 13 1HD LYS 13 -5.671 -1.731 -8.068
93 HE2 LYS 13 2HE LYS 13 -4.763 -0.144 -9.749
94 HE3 LYS 13 1HE LYS 13 -3.123 -0.656 -9.334
95 HZ1 LYS 13 3HZ LYS 13 -3.696 -2.890 -10.041
96 HZ2 LYS 13 1HZ LYS 13 -3.936 -1.783 -11.294
97 HZ3 LYS 13 2HZ LYS 13 -5.259 -2.391 -10.440
98 H LYS 14 H LYS 14 -7.386 -0.009 -3.946
99 HA LYS 14 HA LYS 14 -7.042 -1.167 -1.302
100 HB2 LYS 14 2HB LYS 14 -7.207 0.865 -0.255
101 HB3 LYS 14 1HB LYS 14 -7.711 1.697 -1.700
102 HG2 LYS 14 2HG LYS 14 -9.357 2.058 -0.049
103 HG3 LYS 14 1HG LYS 14 -10.053 0.985 -1.257
104 HD2 LYS 14 2HD LYS 14 -9.844 -0.920 0.259
105 HD3 LYS 14 1HD LYS 14 -8.979 0.068 1.440
106 HE2 LYS 14 2HE LYS 14 -11.456 -0.327 1.923
107 HE3 LYS 14 1HE LYS 14 -10.933 1.356 1.949
108 HZ1 LYS 14 3HZ LYS 14 -12.238 0.048 -0.376
109 HZ2 LYS 14 1HZ LYS 14 -11.860 1.682 -0.219
110 HZ3 LYS 14 2HZ LYS 14 -13.048 0.992 0.766
111 H ARG 15 H ARG 15 -8.644 -2.559 -0.856
112 HA ARG 15 HA ARG 15 -11.329 -2.307 -1.967
113 HE ARG 15 HE ARG 15 -8.576 -4.313 -5.024
114 HB2 ARG 15 2HB ARG 15 -11.424 -4.640 -2.815
115 HB3 ARG 15 1HB ARG 15 -10.248 -3.691 -3.718
116 HG2 ARG 15 2HG ARG 15 -9.233 -5.292 -1.378
117 HG3 ARG 15 1HG ARG 15 -9.709 -6.184 -2.827
118 HD2 ARG 15 2HD ARG 15 -7.729 -3.873 -2.817
119 HD3 ARG 15 1HD ARG 15 -7.260 -5.579 -2.690
120 HH11 ARG 15 1HH1 ARG 15 -6.611 -6.911 -3.722
121 HH12 ARG 15 2HH1 ARG 15 -6.331 -7.634 -5.274
122 HH21 ARG 15 1HH2 ARG 15 -8.161 -5.250 -7.052
123 HH22 ARG 15 2HH2 ARG 15 -7.206 -6.696 -7.149
124 H ILE 16 H ILE 16 -12.871 -3.573 -0.817
125 HA ILE 16 HA ILE 16 -11.934 -5.221 1.459
126 HB ILE 16 HB ILE 16 -14.400 -3.405 1.468
127 HG12 ILE 16 2HG1 ILE 16 -11.930 -3.442 3.232
128 HG13 ILE 16 1HG1 ILE 16 -12.233 -2.258 1.958
129 HG21 ILE 16 1HG2 ILE 16 -14.868 -4.300 3.756
130 HG22 ILE 16 2HG2 ILE 16 -13.543 -5.454 3.578
131 HG23 ILE 16 3HG2 ILE 16 -14.960 -5.571 2.534
132 HD11 ILE 16 3HD1 ILE 16 -14.199 -1.468 3.225
133 HD12 ILE 16 1HD1 ILE 16 -12.686 -1.300 4.114
134 HD13 ILE 16 2HD1 ILE 16 -13.798 -2.609 4.512
135 H ARG 17 H ARG 17 -12.499 -7.222 1.181
136 HA ARG 17 HA ARG 17 -15.151 -8.015 0.521
137 HE ARG 17 HE ARG 17 -13.132 -10.861 -3.206
138 HB2 ARG 17 2HB ARG 17 -14.151 -7.647 -1.785
139 HB3 ARG 17 1HB ARG 17 -12.970 -8.907 -1.441
140 HG2 ARG 17 2HG ARG 17 -14.720 -10.591 -1.316
141 HG3 ARG 17 1HG ARG 17 -15.982 -9.362 -1.459
142 HD2 ARG 17 2HD ARG 17 -15.664 -10.527 -3.588
143 HD3 ARG 17 1HD ARG 17 -15.193 -8.833 -3.748
144 HH11 ARG 17 1HH1 ARG 17 -14.460 -8.517 -5.461
145 HH12 ARG 17 2HH1 ARG 17 -13.103 -8.625 -6.534
146 HH21 ARG 17 1HH2 ARG 17 -11.370 -10.980 -4.633
147 HH22 ARG 17 2HH2 ARG 17 -11.375 -10.001 -6.068
148 H LYS 18 H LYS 18 -15.523 -10.217 1.027
149 HA LYS 18 HA LYS 18 -15.413 -12.036 2.352
150 HB2 LYS 18 2HB LYS 18 -13.533 -12.610 0.736
151 HB3 LYS 18 1HB LYS 18 -12.391 -11.969 1.905
152 HG2 LYS 18 2HG LYS 18 -12.997 -13.725 3.512
153 HG3 LYS 18 1HG LYS 18 -14.229 -14.346 2.408
154 HD2 LYS 18 2HD LYS 18 -11.218 -14.303 1.888
155 HD3 LYS 18 1HD LYS 18 -12.166 -15.723 2.348
156 HE2 LYS 18 2HE LYS 18 -13.493 -15.464 0.241
157 HE3 LYS 18 1HE LYS 18 -12.437 -14.127 -0.228
158 HZ1 LYS 18 3HZ LYS 18 -10.571 -15.678 -0.152
159 HZ2 LYS 18 1HZ LYS 18 -11.742 -16.144 -1.271
160 HZ3 LYS 18 2HZ LYS 18 -11.625 -16.946 0.211
161 H GLY 19 H GLY 19 -15.277 -9.343 3.423
162 HA2 GLY 19 2HA GLY 19 -15.141 -8.262 5.431
163 HA3 GLY 19 1HA GLY 19 -14.815 -9.818 6.179
164 H ARG 20 H ARG 20 -12.767 -8.505 3.634
165 HA ARG 20 HA ARG 20 -10.579 -8.065 5.577
166 HE ARG 20 HE ARG 20 -7.713 -10.122 5.435
167 HB2 ARG 20 2HB ARG 20 -10.451 -9.743 3.032
168 HB3 ARG 20 1HB ARG 20 -9.032 -9.202 3.923
169 HG2 ARG 20 2HG ARG 20 -11.191 -11.059 4.987
170 HG3 ARG 20 1HG ARG 20 -9.587 -11.543 4.421
171 HD2 ARG 20 2HD ARG 20 -10.174 -9.746 6.810
172 HD3 ARG 20 1HD ARG 20 -9.676 -11.440 6.892
173 HH11 ARG 20 1HH1 ARG 20 -8.957 -9.871 8.722
174 HH12 ARG 20 2HH1 ARG 20 -7.447 -9.321 9.374
175 HH21 ARG 20 1HH2 ARG 20 -5.756 -9.392 6.326
176 HH22 ARG 20 2HH2 ARG 20 -5.648 -9.073 8.030
177 H VAL 21 H VAL 21 -9.729 -6.137 5.316
178 HA VAL 21 HA VAL 21 -9.880 -4.715 2.741
179 HB VAL 21 HB VAL 21 -10.680 -3.403 4.621
180 HG11 VAL 21 1HG1 VAL 21 -9.282 -2.772 6.556
181 HG12 VAL 21 2HG1 VAL 21 -8.002 -3.842 5.978
182 HG13 VAL 21 3HG1 VAL 21 -9.554 -4.516 6.479
183 HG21 VAL 21 3HG2 VAL 21 -7.960 -2.373 3.712
184 HG22 VAL 21 1HG2 VAL 21 -9.246 -1.390 4.421
185 HG23 VAL 21 2HG2 VAL 21 -9.491 -2.170 2.857
186 H GLU 22 H GLU 22 -8.123 -4.596 1.456
187 HA GLU 22 HA GLU 22 -5.419 -4.919 2.581
188 HB2 GLU 22 2HB GLU 22 -4.768 -6.386 0.650
189 HB3 GLU 22 1HB GLU 22 -5.925 -7.139 1.744
190 HG2 GLU 22 2HG GLU 22 -7.744 -6.745 0.206
191 HG3 GLU 22 1HG GLU 22 -6.704 -5.785 -0.844
192 H TYR 23 H TYR 23 -3.738 -4.176 1.172
193 HA TYR 23 HA TYR 23 -4.498 -1.954 -0.615
194 HD1 TYR 23 2HD TYR 23 -5.555 0.001 0.341
195 HD2 TYR 23 1HD TYR 23 -3.612 -1.530 3.820
196 HE1 TYR 23 2HE TYR 23 -7.335 0.913 1.747
197 HE2 TYR 23 1HE TYR 23 -5.413 -0.618 5.221
198 HH TYR 23 HH TYR 23 -7.077 1.166 5.118
199 HB2 TYR 23 2HB TYR 23 -2.553 -1.784 1.733
200 HB3 TYR 23 1HB TYR 23 -2.872 -0.494 0.579
201 H LEU 24 H LEU 24 -3.092 -1.692 -2.329
202 HA LEU 24 HA LEU 24 -0.879 -3.527 -2.705
203 HG LEU 24 HG LEU 24 0.553 -1.978 -5.052
204 HB2 LEU 24 2HB LEU 24 -2.369 -2.712 -4.579
205 HB3 LEU 24 1HB LEU 24 -1.683 -1.110 -4.381
206 HD11 LEU 24 1HD1 LEU 24 0.801 -4.229 -5.993
207 HD12 LEU 24 2HD1 LEU 24 -0.854 -4.623 -5.518
208 HD13 LEU 24 3HD1 LEU 24 0.366 -4.289 -4.285
209 HD21 LEU 24 3HD2 LEU 24 -1.613 -2.657 -7.067
210 HD22 LEU 24 1HD2 LEU 24 0.088 -2.346 -7.429
211 HD23 LEU 24 2HD2 LEU 24 -0.926 -1.053 -6.791
212 H VAL 25 H VAL 25 0.923 -3.167 -1.496
213 HA VAL 25 HA VAL 25 1.599 -0.514 -0.525
214 HB VAL 25 HB VAL 25 3.558 -1.664 0.617
215 HG11 VAL 25 1HG1 VAL 25 2.161 -2.716 2.385
216 HG12 VAL 25 2HG1 VAL 25 0.767 -2.703 1.299
217 HG13 VAL 25 3HG1 VAL 25 1.486 -1.179 1.840
218 HG21 VAL 25 3HG2 VAL 25 3.529 -4.143 0.845
219 HG22 VAL 25 1HG2 VAL 25 3.791 -3.659 -0.833
220 HG23 VAL 25 2HG2 VAL 25 2.207 -4.243 -0.321
221 H LYS 26 H LYS 26 2.521 0.777 -1.830
222 HA LYS 26 HA LYS 26 4.303 0.164 -3.963
223 HB2 LYS 26 2HB LYS 26 2.880 2.188 -3.946
224 HB3 LYS 26 1HB LYS 26 3.673 2.767 -2.492
225 HG2 LYS 26 2HG LYS 26 4.472 4.012 -4.383
226 HG3 LYS 26 1HG LYS 26 5.784 3.016 -3.747
227 HD2 LYS 26 2HD LYS 26 5.404 1.370 -5.573
228 HD3 LYS 26 1HD LYS 26 4.104 2.387 -6.213
229 HE2 LYS 26 2HE LYS 26 6.234 2.707 -7.443
230 HE3 LYS 26 1HE LYS 26 5.711 4.195 -6.651
231 HZ1 LYS 26 3HZ LYS 26 8.043 3.857 -6.316
232 HZ2 LYS 26 1HZ LYS 26 7.792 2.318 -5.665
233 HZ3 LYS 26 2HZ LYS 26 7.255 3.691 -4.835
234 H TRP 27 H TRP 27 6.325 -0.589 -3.557
235 HA TRP 27 HA TRP 27 7.821 0.198 -1.165
236 HD1 TRP 27 HD TRP 27 6.476 -3.559 -2.880
237 HE1 TRP 27 1HE TRP 27 5.731 -4.880 -0.798
238 HE3 TRP 27 3HE TRP 27 9.368 -1.238 0.663
239 HZ2 TRP 27 2HZ TRP 27 6.270 -4.921 1.957
240 HZ3 TRP 27 3HZ TRP 27 9.164 -1.966 3.007
241 HH2 TRP 27 HH TRP 27 7.657 -3.784 3.637
242 HB2 TRP 27 2HB TRP 27 8.436 -1.835 -3.365
243 HB3 TRP 27 1HB TRP 27 9.524 -1.488 -2.022
244 H ARG 28 H ARG 28 9.936 1.091 -1.271
245 HA ARG 28 HA ARG 28 10.242 3.190 -3.210
246 HE ARG 28 HE ARG 28 11.704 6.173 -0.356
247 HB2 ARG 28 2HB ARG 28 12.208 2.235 -1.080
248 HB3 ARG 28 1HB ARG 28 12.269 3.783 -1.932
249 HG2 ARG 28 2HG ARG 28 10.074 4.389 -0.868
250 HG3 ARG 28 1HG ARG 28 10.132 2.875 0.041
251 HD2 ARG 28 2HD ARG 28 10.915 4.669 1.465
252 HD3 ARG 28 1HD ARG 28 12.301 3.643 1.065
253 HH11 ARG 28 1HH1 ARG 28 14.054 4.127 1.244
254 HH12 ARG 28 2HH1 ARG 28 15.368 5.216 0.948
255 HH21 ARG 28 1HH2 ARG 28 13.417 7.572 -0.732
256 HH22 ARG 28 2HH2 ARG 28 14.999 7.181 -0.150
257 H GLY 29 H GLY 29 11.280 3.072 -5.122
258 HA2 GLY 29 2HA GLY 29 12.980 2.499 -6.640
259 HA3 GLY 29 1HA GLY 29 13.437 1.134 -5.633
260 H TRP 30 H TRP 30 10.690 0.188 -5.358
261 HA TRP 30 HA TRP 30 10.438 -1.282 -7.876
262 HD1 TRP 30 HD TRP 30 11.079 -2.047 -3.532
263 HE1 TRP 30 1HE TRP 30 13.093 -3.638 -3.461
264 HE3 TRP 30 3HE TRP 30 10.730 -4.036 -8.234
265 HZ2 TRP 30 2HZ TRP 30 14.377 -5.484 -5.157
266 HZ3 TRP 30 3HZ TRP 30 12.386 -5.706 -8.935
267 HH2 TRP 30 HH TRP 30 14.177 -6.420 -7.428
268 HB2 TRP 30 2HB TRP 30 9.059 -1.712 -5.180
269 HB3 TRP 30 1HB TRP 30 8.975 -2.793 -6.567
270 H SER 31 H SER 31 8.954 -0.744 -9.326
271 HA SER 31 HA SER 31 6.948 1.264 -8.995
272 HG SER 31 HG SER 31 8.386 0.949 -12.250
273 HB2 SER 31 2HB SER 31 7.266 -0.818 -11.213
274 HB3 SER 31 1HB SER 31 6.334 0.679 -11.320
275 HA PRO 32 HA PRO 32 3.327 -0.872 -7.382
276 HB2 PRO 32 2HB PRO 32 1.368 -0.460 -9.407
277 HB3 PRO 32 1HB PRO 32 1.726 0.623 -8.057
278 HG2 PRO 32 2HG PRO 32 2.747 0.707 -10.891
279 HG3 PRO 32 1HG PRO 32 2.236 2.048 -9.841
280 HD2 PRO 32 2HD PRO 32 4.825 1.597 -10.227
281 HD3 PRO 32 1HD PRO 32 4.247 2.000 -8.593
282 H LYS 33 H LYS 33 4.185 -1.770 -10.693
283 HA LYS 33 HA LYS 33 2.775 -4.281 -10.770
284 HB2 LYS 33 2HB LYS 33 4.069 -4.718 -12.827
285 HB3 LYS 33 1HB LYS 33 3.377 -3.098 -12.837
286 HG2 LYS 33 2HG LYS 33 5.582 -2.146 -12.227
287 HG3 LYS 33 1HG LYS 33 6.272 -3.769 -12.187
288 HD2 LYS 33 2HD LYS 33 6.865 -2.687 -14.285
289 HD3 LYS 33 1HD LYS 33 5.766 -4.031 -14.612
290 HE2 LYS 33 2HE LYS 33 3.885 -2.420 -14.797
291 HE3 LYS 33 1HE LYS 33 5.004 -1.088 -14.497
292 HZ1 LYS 33 3HZ LYS 33 5.065 -2.953 -16.801
293 HZ2 LYS 33 1HZ LYS 33 6.192 -1.730 -16.509
294 HZ3 LYS 33 2HZ LYS 33 4.585 -1.334 -16.826
295 H TYR 34 H TYR 34 5.886 -3.266 -9.610
296 HA TYR 34 HA TYR 34 6.808 -6.003 -9.025
297 HD1 TYR 34 1HD TYR 34 8.743 -6.533 -10.505
298 HD2 TYR 34 2HD TYR 34 8.740 -2.256 -10.653
299 HE1 TYR 34 1HE TYR 34 9.505 -6.608 -12.839
300 HE2 TYR 34 2HE TYR 34 9.499 -2.342 -12.992
301 HH TYR 34 HH TYR 34 10.700 -3.901 -14.469
302 HB2 TYR 34 2HB TYR 34 8.187 -3.305 -8.621
303 HB3 TYR 34 1HB TYR 34 8.923 -4.878 -8.349
304 H ASN 35 H ASN 35 4.532 -4.461 -7.651
305 HA ASN 35 HA ASN 35 5.471 -4.688 -4.851
306 HB2 ASN 35 2HB ASN 35 3.355 -2.848 -6.045
307 HB3 ASN 35 1HB ASN 35 3.648 -3.029 -4.317
308 HD21 ASN 35 1HD2 ASN 35 6.619 -3.191 -4.691
309 HD22 ASN 35 2HD2 ASN 35 7.108 -1.581 -5.065
310 H THR 36 H THR 36 3.462 -5.056 -3.359
311 HA THR 36 HA THR 36 1.752 -7.187 -4.480
312 HB THR 36 HB THR 36 3.766 -8.336 -3.644
313 HG1 THR 36 1HG THR 36 1.859 -8.855 -1.624
314 HG21 THR 36 3HG2 THR 36 3.166 -7.052 -0.955
315 HG22 THR 36 1HG2 THR 36 4.533 -6.666 -2.006
316 HG23 THR 36 2HG2 THR 36 4.409 -8.264 -1.272
317 H TRP 37 H TRP 37 0.149 -7.927 -2.822
318 HA TRP 37 HA TRP 37 -1.135 -5.639 -1.558
319 HD1 TRP 37 HD TRP 37 -1.568 -8.605 -4.561
320 HE1 TRP 37 1HE TRP 37 -2.516 -7.323 -6.572
321 HE3 TRP 37 3HE TRP 37 -4.038 -4.894 -2.068
322 HZ2 TRP 37 2HZ TRP 37 -4.075 -5.038 -7.051
323 HZ3 TRP 37 3HZ TRP 37 -5.226 -3.185 -3.374
324 HH2 TRP 37 HH TRP 37 -5.244 -3.264 -5.823
325 HB2 TRP 37 2HB TRP 37 -2.102 -8.510 -1.934
326 HB3 TRP 37 1HB TRP 37 -3.087 -7.164 -1.358
327 H GLU 38 H GLU 38 -1.061 -5.230 0.531
328 HA GLU 38 HA GLU 38 -0.797 -7.342 2.539
329 HB2 GLU 38 2HB GLU 38 0.746 -4.701 2.526
330 HB3 GLU 38 1HB GLU 38 0.578 -5.728 3.945
331 HG2 GLU 38 2HG GLU 38 1.677 -7.581 2.576
332 HG3 GLU 38 1HG GLU 38 2.044 -6.347 1.368
333 HA PRO 39 HA PRO 39 -4.616 -5.416 3.935
334 HB2 PRO 39 2HB PRO 39 -4.730 -6.513 6.491
335 HB3 PRO 39 1HB PRO 39 -5.155 -7.379 5.010
336 HG2 PRO 39 2HG PRO 39 -2.563 -7.409 6.549
337 HG3 PRO 39 1HG PRO 39 -3.475 -8.776 5.869
338 HD2 PRO 39 2HD PRO 39 -1.324 -7.784 4.602
339 HD3 PRO 39 1HD PRO 39 -2.739 -8.347 3.688
340 H GLU 40 H GLU 40 -5.526 -4.278 5.929
341 HA GLU 40 HA GLU 40 -4.183 -1.855 6.427
342 HB2 GLU 40 2HB GLU 40 -6.637 -2.083 6.546
343 HB3 GLU 40 1HB GLU 40 -6.498 -3.128 7.951
344 HG2 GLU 40 2HG GLU 40 -7.186 -0.974 8.722
345 HG3 GLU 40 1HG GLU 40 -5.524 -1.215 9.235
346 H GLU 41 H GLU 41 -4.336 -4.834 8.321
347 HA GLU 41 HA GLU 41 -3.084 -3.925 10.710
348 HB2 GLU 41 2HB GLU 41 -2.726 -6.368 11.178
349 HB3 GLU 41 1HB GLU 41 -4.388 -5.967 10.754
350 HG2 GLU 41 2HG GLU 41 -3.979 -6.780 8.443
351 HG3 GLU 41 1HG GLU 41 -2.334 -7.229 8.901
352 H ASN 42 H ASN 42 -1.823 -4.530 7.591
353 HA ASN 42 HA ASN 42 0.982 -4.738 8.500
354 HB2 ASN 42 2HB ASN 42 -0.280 -5.082 5.748
355 HB3 ASN 42 1HB ASN 42 1.451 -5.163 6.058
356 HD21 ASN 42 1HD2 ASN 42 1.338 -7.280 5.134
357 HD22 ASN 42 2HD2 ASN 42 0.793 -8.628 6.067
358 H ILE 43 H ILE 43 -1.168 -2.318 7.927
359 HA ILE 43 HA ILE 43 0.799 -0.453 6.754
360 HB ILE 43 HB ILE 43 -2.209 -0.100 7.179
361 HG12 ILE 43 2HG1 ILE 43 -1.720 -1.725 5.386
362 HG13 ILE 43 1HG1 ILE 43 -2.393 -0.250 4.714
363 HG21 ILE 43 1HG2 ILE 43 -0.240 1.788 5.825
364 HG22 ILE 43 2HG2 ILE 43 -1.102 2.077 7.339
365 HG23 ILE 43 3HG2 ILE 43 -1.996 1.971 5.823
366 HD11 ILE 43 3HD1 ILE 43 -0.622 -1.142 3.322
367 HD12 ILE 43 1HD1 ILE 43 0.519 -1.043 4.662
368 HD13 ILE 43 2HD1 ILE 43 -0.162 0.433 3.969
369 H LEU 44 H LEU 44 2.103 -0.144 8.551
370 HA LEU 44 HA LEU 44 0.915 1.414 10.784
371 HG LEU 44 HG LEU 44 2.294 -1.353 12.941
372 HB2 LEU 44 2HB LEU 44 3.303 -0.489 10.801
373 HB3 LEU 44 1HB LEU 44 3.066 0.717 12.049
374 HD11 LEU 44 1HD1 LEU 44 -0.036 -0.945 13.473
375 HD12 LEU 44 2HD1 LEU 44 -0.160 0.216 12.148
376 HD13 LEU 44 3HD1 LEU 44 0.903 0.547 13.520
377 HD21 LEU 44 3HD2 LEU 44 0.640 -2.821 11.907
378 HD22 LEU 44 1HD2 LEU 44 2.047 -2.621 10.864
379 HD23 LEU 44 2HD2 LEU 44 0.549 -1.762 10.498
380 H ASP 45 H ASP 45 1.092 3.052 9.034
381 HA ASP 45 HA ASP 45 3.302 4.795 9.449
382 HB2 ASP 45 2HB ASP 45 4.407 3.219 7.875
383 HB3 ASP 45 1HB ASP 45 3.138 3.474 6.700
384 HA PRO 46 HA PRO 46 -0.330 7.313 8.606
385 HB2 PRO 46 2HB PRO 46 0.799 9.809 8.832
386 HB3 PRO 46 1HB PRO 46 0.473 8.763 10.224
387 HG2 PRO 46 2HG PRO 46 3.063 9.132 8.701
388 HG3 PRO 46 1HG PRO 46 2.797 9.152 10.456
389 HD2 PRO 46 2HD PRO 46 3.741 6.962 9.206
390 HD3 PRO 46 1HD PRO 46 2.607 6.812 10.576
391 H ARG 47 H ARG 47 2.623 7.772 6.663
392 HA ARG 47 HA ARG 47 1.636 9.600 4.711
393 HE ARG 47 HE ARG 47 5.770 8.727 2.950
394 HB2 ARG 47 2HB ARG 47 3.804 7.474 4.476
395 HB3 ARG 47 1HB ARG 47 3.537 8.746 3.290
396 HG2 ARG 47 2HG ARG 47 4.380 10.421 4.694
397 HG3 ARG 47 1HG ARG 47 4.133 9.473 6.162
398 HD2 ARG 47 2HD ARG 47 6.569 9.766 5.251
399 HD3 ARG 47 1HD ARG 47 6.054 8.170 5.814
400 HH11 ARG 47 1HH1 ARG 47 7.744 7.232 5.429
401 HH12 ARG 47 2HH1 ARG 47 8.476 6.115 4.329
402 HH21 ARG 47 1HH2 ARG 47 6.708 7.198 1.535
403 HH22 ARG 47 2HH2 ARG 47 7.905 6.092 2.139
404 H LEU 48 H LEU 48 1.573 6.110 4.987
405 HA LEU 48 HA LEU 48 0.635 5.432 2.398
406 HG LEU 48 HG LEU 48 2.450 4.161 5.050
407 HB2 LEU 48 2HB LEU 48 0.067 3.879 4.949
408 HB3 LEU 48 1HB LEU 48 0.138 3.248 3.309
409 HD11 LEU 48 1HD1 LEU 48 3.242 1.855 4.833
410 HD12 LEU 48 2HD1 LEU 48 1.815 1.439 3.880
411 HD13 LEU 48 3HD1 LEU 48 1.641 1.931 5.567
412 HD21 LEU 48 3HD2 LEU 48 2.914 4.961 2.811
413 HD22 LEU 48 1HD2 LEU 48 2.594 3.362 2.129
414 HD23 LEU 48 2HD2 LEU 48 3.971 3.613 3.207
415 H LEU 49 H LEU 49 -0.985 6.215 5.440
416 HA LEU 49 HA LEU 49 -3.662 5.690 4.578
417 HG LEU 49 HG LEU 49 -1.990 4.969 7.183
418 HB2 LEU 49 2HB LEU 49 -2.632 7.348 6.913
419 HB3 LEU 49 1HB LEU 49 -4.315 6.879 6.679
420 HD11 LEU 49 1HD1 LEU 49 -2.568 6.240 9.179
421 HD12 LEU 49 2HD1 LEU 49 -3.049 4.557 9.358
422 HD13 LEU 49 3HD1 LEU 49 -4.268 5.787 9.013
423 HD21 LEU 49 3HD2 LEU 49 -3.647 3.918 5.732
424 HD22 LEU 49 1HD2 LEU 49 -4.947 4.352 6.847
425 HD23 LEU 49 2HD2 LEU 49 -3.702 3.201 7.338
426 H ILE 50 H ILE 50 -1.578 8.556 4.577
427 HA ILE 50 HA ILE 50 -3.540 10.475 3.820
428 HB ILE 50 HB ILE 50 -0.527 10.434 3.315
429 HG12 ILE 50 2HG1 ILE 50 -2.142 11.903 5.456
430 HG13 ILE 50 1HG1 ILE 50 -1.207 10.439 5.730
431 HG21 ILE 50 1HG2 ILE 50 -0.665 12.864 2.889
432 HG22 ILE 50 2HG2 ILE 50 -2.422 12.791 2.995
433 HG23 ILE 50 3HG2 ILE 50 -1.585 11.949 1.691
434 HD11 ILE 50 3HD1 ILE 50 0.851 11.677 5.169
435 HD12 ILE 50 1HD1 ILE 50 -0.016 12.365 6.541
436 HD13 ILE 50 2HD1 ILE 50 -0.111 13.145 4.965
437 H ALA 51 H ALA 51 -1.296 8.432 1.942
438 HA ALA 51 HA ALA 51 -2.093 9.073 -0.666
439 HB1 ALA 51 1HB ALA 51 -1.135 6.378 0.369
440 HB2 ALA 51 2HB ALA 51 -0.101 7.700 -0.170
441 HB3 ALA 51 3HB ALA 51 -1.155 6.887 -1.328
442 H PHE 52 H PHE 52 -3.372 6.630 1.570
443 HA PHE 52 HA PHE 52 -5.359 5.413 0.025
444 HD1 PHE 52 1HD PHE 52 -6.965 3.204 1.232
445 HD2 PHE 52 2HD PHE 52 -6.943 6.330 4.154
446 HE1 PHE 52 1HE PHE 52 -9.238 2.588 1.927
447 HE2 PHE 52 2HE PHE 52 -9.221 5.697 4.840
448 HZ PHE 52 HZ PHE 52 -10.368 3.824 3.723
449 HB2 PHE 52 2HB PHE 52 -4.801 4.320 2.050
450 HB3 PHE 52 1HB PHE 52 -4.924 5.789 3.001
451 H GLN 53 H GLN 53 -5.587 8.254 2.169
452 HA GLN 53 HA GLN 53 -8.343 8.772 2.004
453 HB2 GLN 53 2HB GLN 53 -5.986 10.640 2.475
454 HB3 GLN 53 1HB GLN 53 -7.659 11.183 2.594
455 HG2 GLN 53 2HG GLN 53 -8.077 9.697 4.448
456 HG3 GLN 53 1HG GLN 53 -6.504 8.935 4.259
457 HE21 GLN 53 1HE2 GLN 53 -8.165 11.847 5.293
458 HE22 GLN 53 2HE2 GLN 53 -6.857 12.493 6.212
459 H ASN 54 H ASN 54 -5.672 9.768 -0.068
460 HA ASN 54 HA ASN 54 -7.262 11.400 -1.815
461 HB2 ASN 54 2HB ASN 54 -4.399 10.396 -1.902
462 HB3 ASN 54 1HB ASN 54 -5.114 11.151 -3.322
463 HD21 ASN 54 1HD2 ASN 54 -4.284 11.694 0.065
464 HD22 ASN 54 2HD2 ASN 54 -4.232 13.413 -0.031
465 H ARG 55 H ARG 55 -6.164 7.986 -1.862
466 HA ARG 55 HA ARG 55 -6.874 7.340 -4.521
467 HE ARG 55 HE ARG 55 -2.616 5.771 -3.737
468 HB2 ARG 55 2HB ARG 55 -6.907 5.510 -2.067
469 HB3 ARG 55 1HB ARG 55 -7.049 4.944 -3.730
470 HG2 ARG 55 2HG ARG 55 -4.638 6.345 -2.535
471 HG3 ARG 55 1HG ARG 55 -4.782 4.615 -2.833
472 HD2 ARG 55 2HD ARG 55 -4.892 5.004 -5.236
473 HD3 ARG 55 1HD ARG 55 -4.891 6.755 -4.993
474 HH11 ARG 55 1HH1 ARG 55 -3.762 5.940 -7.054
475 HH12 ARG 55 2HH1 ARG 55 -2.162 5.942 -7.720
476 HH21 ARG 55 1HH2 ARG 55 -0.547 5.729 -4.635
477 HH22 ARG 55 2HH2 ARG 55 -0.343 5.821 -6.351
478 H GLU 56 H GLU 56 -8.770 7.323 -1.533
479 HA GLU 56 HA GLU 56 -11.192 6.305 -2.770
480 HB2 GLU 56 2HB GLU 56 -10.732 7.367 0.045
481 HB3 GLU 56 1HB GLU 56 -12.138 6.447 -0.498
482 HG2 GLU 56 2HG GLU 56 -9.274 5.476 -0.229
483 HG3 GLU 56 1HG GLU 56 -10.663 4.976 0.736
484 H ARG 57 H ARG 57 -9.790 9.225 -2.977
485 HA ARG 57 HA ARG 57 -12.377 10.622 -3.318
486 HE ARG 57 HE ARG 57 -12.731 15.089 -4.037
487 HB2 ARG 57 2HB ARG 57 -10.807 11.716 -1.703
488 HB3 ARG 57 1HB ARG 57 -9.580 11.826 -2.958
489 HG2 ARG 57 2HG ARG 57 -10.653 13.980 -2.697
490 HG3 ARG 57 1HG ARG 57 -11.106 13.316 -4.269
491 HD2 ARG 57 2HD ARG 57 -13.243 12.480 -3.162
492 HD3 ARG 57 1HD ARG 57 -12.794 13.445 -1.750
493 HH11 ARG 57 1HH1 ARG 57 -15.129 13.442 -2.053
494 HH12 ARG 57 2HH1 ARG 57 -16.390 14.552 -2.471
495 HH21 ARG 57 1HH2 ARG 57 -14.397 16.499 -4.585
496 HH22 ARG 57 2HH2 ARG 57 -15.973 16.288 -3.895
497 H GLN 58 H GLN 58 -9.489 9.400 -4.852
498 HA GLN 58 HA GLN 58 -9.615 11.004 -7.232
499 HB2 GLN 58 2HB GLN 58 -7.974 8.547 -6.522
500 HB3 GLN 58 1HB GLN 58 -7.905 9.275 -8.121
501 HG2 GLN 58 2HG GLN 58 -7.197 10.703 -5.541
502 HG3 GLN 58 1HG GLN 58 -6.034 9.942 -6.618
503 HE21 GLN 58 1HE2 GLN 58 -4.914 11.850 -6.975
504 HE22 GLN 58 2HE2 GLN 58 -5.540 13.167 -7.898
505 H GLU 59 H GLU 59 -10.139 10.406 -9.258
506 HA GLU 59 HA GLU 59 -12.418 8.625 -9.570
507 HB2 GLU 59 2HB GLU 59 -12.458 10.929 -10.455
508 HB3 GLU 59 1HB GLU 59 -11.015 10.611 -11.414
509 HG2 GLU 59 2HG GLU 59 -12.295 8.967 -12.761
510 HG3 GLU 59 1HG GLU 59 -13.738 9.329 -11.808
511 H GLN 60 H GLN 60 -12.460 6.865 -10.982
512 HA GLN 60 HA GLN 60 -9.935 5.653 -11.797
513 HB2 GLN 60 2HB GLN 60 -11.384 3.677 -12.416
514 HB3 GLN 60 1HB GLN 60 -11.490 4.151 -10.727
515 HG2 GLN 60 2HG GLN 60 -13.653 5.272 -11.192
516 HG3 GLN 60 1HG GLN 60 -13.548 4.769 -12.877
517 HE21 GLN 60 1HE2 GLN 60 -15.469 3.583 -12.776
518 HE22 GLN 60 2HE2 GLN 60 -15.620 2.108 -11.888
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 26.354 -3.334 2.919
2 H2 GLY 1 2HT GLY 1 25.009 -3.049 3.894
3 H3 GLY 1 3HT GLY 1 25.155 -2.260 2.407
4 HA2 GLY 1 1HA GLY 1 24.991 -4.368 1.250
5 HA3 GLY 1 2HA GLY 1 24.831 -5.171 2.808
6 H SER 2 H SER 2 23.337 -2.784 0.670
7 HA SER 2 HA SER 2 20.687 -3.113 1.938
8 HG SER 2 HG SER 2 21.512 -0.961 -1.111
9 HB2 SER 2 2HB SER 2 20.110 -1.086 0.509
10 HB3 SER 2 1HB SER 2 21.398 -0.793 1.682
11 H GLU 3 H GLU 3 21.500 -5.343 0.686
12 HA GLU 3 HA GLU 3 21.032 -5.574 -2.098
13 HB2 GLU 3 2HB GLU 3 22.437 -7.148 -0.790
14 HB3 GLU 3 1HB GLU 3 21.014 -7.715 0.076
15 HG2 GLU 3 2HG GLU 3 20.096 -8.604 -2.052
16 HG3 GLU 3 1HG GLU 3 21.538 -8.044 -2.899
17 H HIS 4 H HIS 4 18.917 -5.747 0.686
18 HA HIS 4 HA HIS 4 16.581 -6.381 -1.043
19 HD1 HIS 4 1HD HIS 4 15.397 -9.607 -0.186
20 HD2 HIS 4 2HD HIS 4 19.254 -8.655 1.035
21 HE1 HIS 4 1HE HIS 4 16.774 -11.660 -0.633
22 HE2 HIS 4 2HE HIS 4 19.128 -11.011 -0.024
23 HB2 HIS 4 2HB HIS 4 16.944 -7.066 1.915
24 HB3 HIS 4 1HB HIS 4 15.499 -7.383 0.960
25 H VAL 5 H VAL 5 16.693 -3.984 -1.397
26 HA VAL 5 HA VAL 5 15.853 -2.252 0.773
27 HB VAL 5 HB VAL 5 15.539 -0.489 -1.053
28 HG11 VAL 5 1HG1 VAL 5 17.967 -0.125 -1.393
29 HG12 VAL 5 2HG1 VAL 5 18.289 -1.767 -0.830
30 HG13 VAL 5 3HG1 VAL 5 17.592 -0.580 0.272
31 HG21 VAL 5 3HG2 VAL 5 16.790 -2.603 -2.863
32 HG22 VAL 5 1HG2 VAL 5 16.557 -0.903 -3.287
33 HG23 VAL 5 2HG2 VAL 5 15.161 -1.944 -3.007
34 H PHE 6 H PHE 6 13.884 -2.442 1.564
35 HA PHE 6 HA PHE 6 11.539 -2.383 -0.222
36 HD1 PHE 6 2HD PHE 6 9.781 -4.750 -0.801
37 HD2 PHE 6 1HD PHE 6 13.483 -5.782 1.079
38 HE1 PHE 6 2HE PHE 6 10.074 -6.606 -2.386
39 HE2 PHE 6 1HE PHE 6 13.770 -7.634 -0.517
40 HZ PHE 6 HZ PHE 6 12.067 -8.048 -2.248
41 HB2 PHE 6 2HB PHE 6 11.924 -4.243 2.173
42 HB3 PHE 6 1HB PHE 6 10.355 -3.903 1.462
43 H ALA 7 H ALA 7 10.806 -0.401 0.195
44 HA ALA 7 HA ALA 7 9.959 0.297 2.927
45 HB1 ALA 7 1HB ALA 7 10.745 2.634 2.643
46 HB2 ALA 7 2HB ALA 7 11.481 2.219 1.091
47 HB3 ALA 7 3HB ALA 7 12.100 1.507 2.584
48 H VAL 8 H VAL 8 7.890 1.050 2.905
49 HA VAL 8 HA VAL 8 6.376 0.856 0.493
50 HB VAL 8 HB VAL 8 5.458 2.014 3.170
51 HG11 VAL 8 1HG1 VAL 8 3.157 1.470 2.366
52 HG12 VAL 8 2HG1 VAL 8 3.824 0.985 0.806
53 HG13 VAL 8 3HG1 VAL 8 3.950 2.663 1.333
54 HG21 VAL 8 3HG2 VAL 8 4.518 -0.221 3.645
55 HG22 VAL 8 1HG2 VAL 8 6.272 -0.302 3.452
56 HG23 VAL 8 2HG2 VAL 8 5.212 -0.847 2.148
57 H GLU 9 H GLU 9 6.008 2.351 -0.956
58 HA GLU 9 HA GLU 9 6.962 5.060 -0.703
59 HB2 GLU 9 2HB GLU 9 7.308 3.696 -2.777
60 HB3 GLU 9 1HB GLU 9 5.571 3.673 -3.033
61 HG2 GLU 9 2HG GLU 9 6.604 5.308 -4.486
62 HG3 GLU 9 1HG GLU 9 5.569 6.124 -3.315
63 H SER 10 H SER 10 3.846 3.553 -1.631
64 HA SER 10 HA SER 10 2.245 5.293 -0.033
65 HG SER 10 HG SER 10 0.424 6.929 -2.616
66 HB2 SER 10 2HB SER 10 2.898 6.836 -1.939
67 HB3 SER 10 1HB SER 10 2.103 5.726 -3.059
68 H ILE 11 H ILE 11 -0.129 5.016 -0.659
69 HA ILE 11 HA ILE 11 -0.760 2.201 -1.189
70 HB ILE 11 HB ILE 11 -2.419 4.539 -0.141
71 HG12 ILE 11 2HG1 ILE 11 -1.515 1.945 1.199
72 HG13 ILE 11 1HG1 ILE 11 -0.739 3.514 1.424
73 HG21 ILE 11 1HG2 ILE 11 -3.397 1.688 -0.605
74 HG22 ILE 11 2HG2 ILE 11 -3.924 3.120 -1.492
75 HG23 ILE 11 3HG2 ILE 11 -4.300 2.960 0.223
76 HD11 ILE 11 3HD1 ILE 11 -2.147 2.949 3.291
77 HD12 ILE 11 1HD1 ILE 11 -3.545 2.774 2.236
78 HD13 ILE 11 2HD1 ILE 11 -2.793 4.358 2.455
79 H GLU 12 H GLU 12 -1.201 1.621 -3.179
80 HA GLU 12 HA GLU 12 -1.660 3.509 -5.335
81 HB2 GLU 12 2HB GLU 12 -1.354 0.472 -5.536
82 HB3 GLU 12 1HB GLU 12 -1.185 1.651 -6.839
83 HG2 GLU 12 2HG GLU 12 0.688 1.192 -4.498
84 HG3 GLU 12 1HG GLU 12 0.998 0.844 -6.196
85 H LYS 13 H LYS 13 -3.204 0.623 -3.933
86 HA LYS 13 HA LYS 13 -5.811 1.421 -5.086
87 HB2 LYS 13 2HB LYS 13 -4.755 -1.445 -4.897
88 HB3 LYS 13 1HB LYS 13 -6.355 -0.960 -5.467
89 HG2 LYS 13 2HG LYS 13 -5.211 0.302 -7.335
90 HG3 LYS 13 1HG LYS 13 -3.687 -0.406 -6.794
91 HD2 LYS 13 2HD LYS 13 -4.591 -2.676 -7.236
92 HD3 LYS 13 1HD LYS 13 -6.121 -1.961 -7.761
93 HE2 LYS 13 2HE LYS 13 -3.413 -1.602 -9.099
94 HE3 LYS 13 1HE LYS 13 -4.779 -2.538 -9.712
95 HZ1 LYS 13 3HZ LYS 13 -6.058 -0.467 -9.850
96 HZ2 LYS 13 1HZ LYS 13 -4.657 -0.392 -10.792
97 HZ3 LYS 13 2HZ LYS 13 -4.717 0.410 -9.306
98 H LYS 14 H LYS 14 -7.596 0.925 -3.886
99 HA LYS 14 HA LYS 14 -7.294 -0.297 -1.207
100 HB2 LYS 14 2HB LYS 14 -7.752 2.233 -1.199
101 HB3 LYS 14 1HB LYS 14 -9.304 1.896 -1.945
102 HG2 LYS 14 2HG LYS 14 -8.455 0.825 0.773
103 HG3 LYS 14 1HG LYS 14 -9.340 2.330 0.549
104 HD2 LYS 14 2HD LYS 14 -11.236 1.058 -0.431
105 HD3 LYS 14 1HD LYS 14 -10.340 -0.447 -0.220
106 HE2 LYS 14 2HE LYS 14 -11.926 -0.270 1.586
107 HE3 LYS 14 1HE LYS 14 -10.317 -0.006 2.261
108 HZ1 LYS 14 3HZ LYS 14 -10.778 2.414 2.059
109 HZ2 LYS 14 1HZ LYS 14 -11.778 1.606 3.157
110 HZ3 LYS 14 2HZ LYS 14 -12.363 2.039 1.634
111 H ARG 15 H ARG 15 -8.521 -2.073 -0.975
112 HA ARG 15 HA ARG 15 -11.134 -2.363 -2.148
113 HE ARG 15 HE ARG 15 -9.928 -6.548 -3.134
114 HB2 ARG 15 2HB ARG 15 -10.547 -4.552 -3.356
115 HB3 ARG 15 1HB ARG 15 -9.984 -3.076 -4.123
116 HG2 ARG 15 2HG ARG 15 -8.148 -4.508 -4.345
117 HG3 ARG 15 1HG ARG 15 -7.716 -3.529 -2.947
118 HD2 ARG 15 2HD ARG 15 -7.121 -5.815 -2.506
119 HD3 ARG 15 1HD ARG 15 -8.481 -5.393 -1.464
120 HH11 ARG 15 1HH1 ARG 15 -6.571 -7.540 -2.813
121 HH12 ARG 15 2HH1 ARG 15 -6.841 -9.057 -3.605
122 HH21 ARG 15 1HH2 ARG 15 -10.238 -8.534 -4.164
123 HH22 ARG 15 2HH2 ARG 15 -8.900 -9.615 -4.370
124 H ILE 16 H ILE 16 -12.182 -4.390 -1.471
125 HA ILE 16 HA ILE 16 -11.026 -5.652 0.954
126 HB ILE 16 HB ILE 16 -13.922 -4.735 0.562
127 HG12 ILE 16 2HG1 ILE 16 -11.831 -3.997 2.628
128 HG13 ILE 16 1HG1 ILE 16 -12.319 -2.962 1.291
129 HG21 ILE 16 1HG2 ILE 16 -12.775 -6.394 2.859
130 HG22 ILE 16 2HG2 ILE 16 -13.922 -6.959 1.642
131 HG23 ILE 16 3HG2 ILE 16 -14.408 -5.721 2.796
132 HD11 ILE 16 3HD1 ILE 16 -14.577 -2.813 2.302
133 HD12 ILE 16 1HD1 ILE 16 -13.295 -2.196 3.345
134 HD13 ILE 16 2HD1 ILE 16 -13.999 -3.781 3.664
135 H ARG 17 H ARG 17 -11.123 -7.814 0.970
136 HA ARG 17 HA ARG 17 -13.084 -9.269 -0.579
137 HE ARG 17 HE ARG 17 -12.778 -9.959 -4.098
138 HB2 ARG 17 2HB ARG 17 -11.222 -8.942 -2.194
139 HB3 ARG 17 1HB ARG 17 -10.095 -9.664 -1.057
140 HG2 ARG 17 2HG ARG 17 -10.759 -11.197 -2.908
141 HG3 ARG 17 1HG ARG 17 -11.125 -11.844 -1.308
142 HD2 ARG 17 2HD ARG 17 -12.943 -12.223 -2.997
143 HD3 ARG 17 1HD ARG 17 -13.477 -11.335 -1.567
144 HH11 ARG 17 1HH1 ARG 17 -15.082 -10.498 -1.500
145 HH12 ARG 17 2HH1 ARG 17 -16.159 -9.255 -2.049
146 HH21 ARG 17 1HH2 ARG 17 -14.191 -8.351 -4.799
147 HH22 ARG 17 2HH2 ARG 17 -15.659 -8.050 -3.924
148 H LYS 18 H LYS 18 -13.755 -11.026 0.516
149 HA LYS 18 HA LYS 18 -14.079 -12.537 2.158
150 HB2 LYS 18 2HB LYS 18 -11.030 -12.587 2.358
151 HB3 LYS 18 1HB LYS 18 -12.113 -13.761 3.106
152 HG2 LYS 18 2HG LYS 18 -11.795 -13.285 0.117
153 HG3 LYS 18 1HG LYS 18 -11.098 -14.628 1.034
154 HD2 LYS 18 2HD LYS 18 -13.365 -15.446 1.573
155 HD3 LYS 18 1HD LYS 18 -14.079 -14.080 0.704
156 HE2 LYS 18 2HE LYS 18 -13.113 -14.899 -1.404
157 HE3 LYS 18 1HE LYS 18 -12.333 -16.232 -0.543
158 HZ1 LYS 18 3HZ LYS 18 -15.261 -15.795 -0.624
159 HZ2 LYS 18 1HZ LYS 18 -14.438 -17.134 0.007
160 HZ3 LYS 18 2HZ LYS 18 -14.419 -16.838 -1.651
161 H GLY 19 H GLY 19 -14.201 -9.759 2.745
162 HA2 GLY 19 2HA GLY 19 -14.464 -8.298 4.495
163 HA3 GLY 19 1HA GLY 19 -14.219 -9.651 5.585
164 H ARG 20 H ARG 20 -11.732 -9.035 3.267
165 HA ARG 20 HA ARG 20 -9.993 -7.970 5.405
166 HE ARG 20 HE ARG 20 -9.309 -12.137 7.165
167 HB2 ARG 20 2HB ARG 20 -9.243 -9.772 3.062
168 HB3 ARG 20 1HB ARG 20 -8.089 -9.005 4.155
169 HG2 ARG 20 2HG ARG 20 -10.185 -11.083 4.927
170 HG3 ARG 20 1HG ARG 20 -8.434 -11.328 4.820
171 HD2 ARG 20 2HD ARG 20 -8.117 -9.613 6.600
172 HD3 ARG 20 1HD ARG 20 -9.868 -9.466 6.747
173 HH11 ARG 20 1HH1 ARG 20 -8.338 -9.122 8.682
174 HH12 ARG 20 2HH1 ARG 20 -8.193 -9.832 10.253
175 HH21 ARG 20 1HH2 ARG 20 -9.104 -13.028 9.258
176 HH22 ARG 20 2HH2 ARG 20 -8.632 -12.026 10.588
177 H VAL 21 H VAL 21 -9.820 -5.941 5.152
178 HA VAL 21 HA VAL 21 -9.716 -4.597 2.583
179 HB VAL 21 HB VAL 21 -10.949 -3.407 4.252
180 HG11 VAL 21 1HG1 VAL 21 -10.045 -2.676 6.439
181 HG12 VAL 21 2HG1 VAL 21 -8.566 -3.584 6.119
182 HG13 VAL 21 3HG1 VAL 21 -10.099 -4.436 6.292
183 HG21 VAL 21 3HG2 VAL 21 -9.586 -1.978 2.780
184 HG22 VAL 21 1HG2 VAL 21 -8.255 -2.022 3.940
185 HG23 VAL 21 2HG2 VAL 21 -9.773 -1.229 4.368
186 H GLU 22 H GLU 22 -7.894 -4.449 1.487
187 HA GLU 22 HA GLU 22 -5.260 -4.427 2.805
188 HB2 GLU 22 2HB GLU 22 -4.504 -6.129 1.017
189 HB3 GLU 22 1HB GLU 22 -5.500 -6.756 2.330
190 HG2 GLU 22 2HG GLU 22 -7.486 -6.631 0.853
191 HG3 GLU 22 1HG GLU 22 -6.455 -6.062 -0.459
192 H TYR 23 H TYR 23 -3.744 -3.302 1.726
193 HA TYR 23 HA TYR 23 -4.645 -1.602 -0.514
194 HD1 TYR 23 2HD TYR 23 -6.166 -0.696 0.697
195 HD2 TYR 23 1HD TYR 23 -3.169 0.361 3.546
196 HE1 TYR 23 2HE TYR 23 -7.898 0.036 2.268
197 HE2 TYR 23 1HE TYR 23 -4.899 1.100 5.113
198 HH TYR 23 HH TYR 23 -8.104 0.332 4.813
199 HB2 TYR 23 2HB TYR 23 -2.564 -0.948 1.627
200 HB3 TYR 23 1HB TYR 23 -3.195 0.150 0.400
201 H LEU 24 H LEU 24 -3.271 -1.319 -2.233
202 HA LEU 24 HA LEU 24 -1.115 -3.268 -2.556
203 HG LEU 24 HG LEU 24 0.009 -2.369 -5.209
204 HB2 LEU 24 2HB LEU 24 -2.882 -2.775 -4.346
205 HB3 LEU 24 1HB LEU 24 -2.117 -1.208 -4.569
206 HD11 LEU 24 1HD1 LEU 24 -0.026 -4.787 -5.696
207 HD12 LEU 24 2HD1 LEU 24 -1.642 -4.908 -5.003
208 HD13 LEU 24 3HD1 LEU 24 -0.274 -4.458 -3.983
209 HD21 LEU 24 3HD2 LEU 24 -1.543 -1.624 -6.953
210 HD22 LEU 24 1HD2 LEU 24 -2.404 -3.164 -6.867
211 HD23 LEU 24 2HD2 LEU 24 -0.730 -3.113 -7.428
212 H VAL 25 H VAL 25 0.823 -2.644 -1.724
213 HA VAL 25 HA VAL 25 1.575 0.194 -1.646
214 HB VAL 25 HB VAL 25 3.466 -0.529 -0.227
215 HG11 VAL 25 1HG1 VAL 25 0.788 -1.692 0.686
216 HG12 VAL 25 2HG1 VAL 25 1.306 -0.013 0.860
217 HG13 VAL 25 3HG1 VAL 25 2.147 -1.286 1.743
218 HG21 VAL 25 3HG2 VAL 25 3.932 -2.748 -1.194
219 HG22 VAL 25 1HG2 VAL 25 2.404 -3.370 -0.568
220 HG23 VAL 25 2HG2 VAL 25 3.685 -2.879 0.546
221 H LYS 26 H LYS 26 2.986 1.096 -3.022
222 HA LYS 26 HA LYS 26 4.573 -0.480 -4.899
223 HB2 LYS 26 2HB LYS 26 3.486 1.791 -5.429
224 HB3 LYS 26 1HB LYS 26 4.687 2.535 -4.385
225 HG2 LYS 26 2HG LYS 26 5.448 0.867 -6.809
226 HG3 LYS 26 1HG LYS 26 5.075 2.584 -6.942
227 HD2 LYS 26 2HD LYS 26 6.957 3.119 -5.423
228 HD3 LYS 26 1HD LYS 26 7.313 1.400 -5.241
229 HE2 LYS 26 2HE LYS 26 8.861 2.433 -6.835
230 HE3 LYS 26 1HE LYS 26 7.839 1.252 -7.654
231 HZ1 LYS 26 3HZ LYS 26 8.020 3.213 -8.980
232 HZ2 LYS 26 1HZ LYS 26 7.535 4.202 -7.702
233 HZ3 LYS 26 2HZ LYS 26 6.440 3.117 -8.389
234 H TRP 27 H TRP 27 6.534 -1.298 -4.276
235 HA TRP 27 HA TRP 27 7.894 -0.327 -1.893
236 HD1 TRP 27 HD TRP 27 6.427 -4.139 -3.406
237 HE1 TRP 27 1HE TRP 27 5.270 -5.092 -1.318
238 HE3 TRP 27 3HE TRP 27 8.956 -1.586 0.210
239 HZ2 TRP 27 2HZ TRP 27 5.380 -4.809 1.473
240 HZ3 TRP 27 3HZ TRP 27 8.377 -1.967 2.561
241 HH2 TRP 27 HH TRP 27 6.626 -3.546 3.180
242 HB2 TRP 27 2HB TRP 27 8.540 -2.620 -3.801
243 HB3 TRP 27 1HB TRP 27 9.493 -2.226 -2.370
244 H ARG 28 H ARG 28 9.141 1.438 -2.055
245 HA ARG 28 HA ARG 28 10.476 2.390 -4.362
246 HE ARG 28 HE ARG 28 10.321 5.945 -2.096
247 HB2 ARG 28 2HB ARG 28 9.996 3.841 -2.409
248 HB3 ARG 28 1HB ARG 28 11.092 2.886 -1.412
249 HG2 ARG 28 2HG ARG 28 12.999 3.582 -2.855
250 HG3 ARG 28 1HG ARG 28 11.900 4.569 -3.821
251 HD2 ARG 28 2HD ARG 28 12.470 4.969 -0.859
252 HD3 ARG 28 1HD ARG 28 13.224 5.879 -2.175
253 HH11 ARG 28 1HH1 ARG 28 13.280 7.634 -1.213
254 HH12 ARG 28 2HH1 ARG 28 12.460 9.137 -0.954
255 HH21 ARG 28 1HH2 ARG 28 9.313 7.919 -1.759
256 HH22 ARG 28 2HH2 ARG 28 10.240 9.285 -1.235
257 H GLY 29 H GLY 29 12.400 1.818 -5.230
258 HA2 GLY 29 2HA GLY 29 14.595 0.835 -5.208
259 HA3 GLY 29 1HA GLY 29 14.084 -0.243 -3.919
260 H TRP 30 H TRP 30 11.465 -0.555 -5.410
261 HA TRP 30 HA TRP 30 12.302 -2.352 -7.612
262 HD1 TRP 30 HD TRP 30 11.559 -2.922 -3.492
263 HE1 TRP 30 1HE TRP 30 13.137 -4.789 -2.712
264 HE3 TRP 30 3HE TRP 30 11.974 -5.555 -7.865
265 HZ2 TRP 30 2HZ TRP 30 14.383 -7.079 -3.780
266 HZ3 TRP 30 3HZ TRP 30 13.379 -7.570 -7.902
267 HH2 TRP 30 HH TRP 30 14.566 -8.320 -5.898
268 HB2 TRP 30 2HB TRP 30 9.964 -2.690 -5.673
269 HB3 TRP 30 1HB TRP 30 10.317 -3.749 -7.037
270 H SER 31 H SER 31 10.488 -2.675 -9.216
271 HA SER 31 HA SER 31 9.321 -0.144 -10.031
272 HG SER 31 HG SER 31 9.666 -3.674 -11.975
273 HB2 SER 31 2HB SER 31 8.601 -1.426 -12.049
274 HB3 SER 31 1HB SER 31 10.315 -1.665 -11.717
275 HA PRO 32 HA PRO 32 5.256 -0.736 -8.235
276 HB2 PRO 32 2HB PRO 32 3.521 0.307 -10.076
277 HB3 PRO 32 1HB PRO 32 4.665 1.313 -9.169
278 HG2 PRO 32 2HG PRO 32 4.940 0.169 -11.954
279 HG3 PRO 32 1HG PRO 32 5.216 1.838 -11.408
280 HD2 PRO 32 2HD PRO 32 7.258 0.105 -11.754
281 HD3 PRO 32 1HD PRO 32 7.286 1.308 -10.440
282 H LYS 33 H LYS 33 6.157 -2.804 -10.711
283 HA LYS 33 HA LYS 33 3.628 -4.304 -10.654
284 HB2 LYS 33 2HB LYS 33 4.669 -5.865 -12.236
285 HB3 LYS 33 1HB LYS 33 4.768 -4.218 -12.814
286 HG2 LYS 33 2HG LYS 33 6.869 -4.958 -13.383
287 HG3 LYS 33 1HG LYS 33 7.200 -4.302 -11.784
288 HD2 LYS 33 2HD LYS 33 8.316 -6.466 -12.053
289 HD3 LYS 33 1HD LYS 33 7.066 -6.584 -10.816
290 HE2 LYS 33 2HE LYS 33 7.049 -8.570 -12.251
291 HE3 LYS 33 1HE LYS 33 5.551 -7.660 -12.451
292 HZ1 LYS 33 3HZ LYS 33 7.872 -7.439 -14.290
293 HZ2 LYS 33 1HZ LYS 33 6.333 -6.794 -14.515
294 HZ3 LYS 33 2HZ LYS 33 6.557 -8.470 -14.555
295 H TYR 34 H TYR 34 6.742 -4.225 -9.090
296 HA TYR 34 HA TYR 34 6.509 -6.822 -7.794
297 HD1 TYR 34 2HD TYR 34 8.580 -8.195 -7.880
298 HD2 TYR 34 1HD TYR 34 9.817 -4.344 -9.257
299 HE1 TYR 34 2HE TYR 34 10.026 -9.261 -9.548
300 HE2 TYR 34 1HE TYR 34 11.267 -5.417 -10.933
301 HH TYR 34 HH TYR 34 12.410 -7.563 -11.274
302 HB2 TYR 34 2HB TYR 34 8.398 -4.473 -7.370
303 HB3 TYR 34 1HB TYR 34 8.484 -5.948 -6.416
304 H ASN 35 H ASN 35 4.607 -4.341 -7.476
305 HA ASN 35 HA ASN 35 4.273 -3.633 -4.838
306 HB2 ASN 35 2HB ASN 35 1.878 -3.260 -5.492
307 HB3 ASN 35 1HB ASN 35 3.027 -2.588 -6.640
308 HD21 ASN 35 1HD2 ASN 35 1.430 -2.568 -8.276
309 HD22 ASN 35 2HD2 ASN 35 0.903 -4.005 -9.075
310 H THR 36 H THR 36 3.069 -4.481 -3.085
311 HA THR 36 HA THR 36 2.043 -7.263 -3.295
312 HB THR 36 HB THR 36 2.841 -7.777 -1.029
313 HG1 THR 36 1HG THR 36 2.995 -5.931 0.091
314 HG21 THR 36 3HG2 THR 36 5.131 -6.718 -2.725
315 HG22 THR 36 1HG2 THR 36 4.393 -8.318 -2.871
316 HG23 THR 36 2HG2 THR 36 5.273 -7.881 -1.405
317 H TRP 37 H TRP 37 0.180 -7.698 -2.060
318 HA TRP 37 HA TRP 37 -1.382 -5.434 -1.143
319 HD1 TRP 37 HD TRP 37 -1.875 -8.877 -3.769
320 HE1 TRP 37 1HE TRP 37 -3.033 -7.820 -5.807
321 HE3 TRP 37 3HE TRP 37 -4.062 -4.855 -1.481
322 HZ2 TRP 37 2HZ TRP 37 -4.646 -5.585 -6.379
323 HZ3 TRP 37 3HZ TRP 37 -5.380 -3.291 -2.846
324 HH2 TRP 37 HH TRP 37 -5.669 -3.652 -5.252
325 HB2 TRP 37 2HB TRP 37 -1.964 -8.428 -1.153
326 HB3 TRP 37 1HB TRP 37 -3.110 -7.203 -0.611
327 H GLU 38 H GLU 38 -0.646 -4.548 0.698
328 HA GLU 38 HA GLU 38 -0.151 -6.221 3.075
329 HB2 GLU 38 2HB GLU 38 0.426 -3.262 2.640
330 HB3 GLU 38 1HB GLU 38 0.821 -4.180 4.086
331 HG2 GLU 38 2HG GLU 38 1.999 -4.560 1.315
332 HG3 GLU 38 1HG GLU 38 2.798 -3.851 2.716
333 HA PRO 39 HA PRO 39 -4.408 -5.281 4.220
334 HB2 PRO 39 2HB PRO 39 -4.209 -6.038 6.903
335 HB3 PRO 39 1HB PRO 39 -4.461 -7.155 5.555
336 HG2 PRO 39 2HG PRO 39 -1.867 -6.396 6.929
337 HG3 PRO 39 1HG PRO 39 -2.463 -8.011 6.471
338 HD2 PRO 39 2HD PRO 39 -0.658 -6.770 4.946
339 HD3 PRO 39 1HD PRO 39 -1.992 -7.669 4.185
340 H GLU 40 H GLU 40 -5.623 -3.945 5.746
341 HA GLU 40 HA GLU 40 -4.677 -1.321 6.022
342 HB2 GLU 40 2HB GLU 40 -7.059 -1.999 5.844
343 HB3 GLU 40 1HB GLU 40 -6.988 -2.686 7.463
344 HG2 GLU 40 2HG GLU 40 -6.507 -0.389 8.353
345 HG3 GLU 40 1HG GLU 40 -6.714 0.243 6.721
346 H GLU 41 H GLU 41 -4.908 -3.971 8.362
347 HA GLU 41 HA GLU 41 -4.061 -2.695 10.715
348 HB2 GLU 41 2HB GLU 41 -3.423 -4.979 11.506
349 HB3 GLU 41 1HB GLU 41 -5.024 -4.938 10.777
350 HG2 GLU 41 2HG GLU 41 -4.266 -6.032 8.784
351 HG3 GLU 41 1HG GLU 41 -2.575 -5.802 9.205
352 H ASN 42 H ASN 42 -2.222 -4.055 8.021
353 HA ASN 42 HA ASN 42 0.373 -4.027 9.188
354 HB2 ASN 42 2HB ASN 42 -0.239 -5.391 7.173
355 HB3 ASN 42 1HB ASN 42 -0.416 -3.917 6.237
356 HD21 ASN 42 1HD2 ASN 42 1.806 -6.172 7.632
357 HD22 ASN 42 2HD2 ASN 42 3.213 -5.555 6.854
358 H ILE 43 H ILE 43 -1.454 -1.758 7.188
359 HA ILE 43 HA ILE 43 0.635 0.245 7.100
360 HB ILE 43 HB ILE 43 -2.284 0.514 6.237
361 HG12 ILE 43 2HG1 ILE 43 -1.217 -1.346 4.987
362 HG13 ILE 43 1HG1 ILE 43 -1.500 0.021 3.924
363 HG21 ILE 43 1HG2 ILE 43 -1.449 2.382 4.829
364 HG22 ILE 43 2HG2 ILE 43 0.162 2.184 5.519
365 HG23 ILE 43 3HG2 ILE 43 -1.184 2.683 6.548
366 HD11 ILE 43 3HD1 ILE 43 0.625 -1.018 3.449
367 HD12 ILE 43 1HD1 ILE 43 1.154 -0.778 5.114
368 HD13 ILE 43 2HD1 ILE 43 0.880 0.615 4.064
369 H LEU 44 H LEU 44 0.902 0.325 9.411
370 HA LEU 44 HA LEU 44 -1.160 1.627 11.037
371 HG LEU 44 HG LEU 44 0.321 -0.089 14.011
372 HB2 LEU 44 2HB LEU 44 0.787 -0.300 11.621
373 HB3 LEU 44 1HB LEU 44 1.519 1.144 12.275
374 HD11 LEU 44 1HD1 LEU 44 -1.127 2.499 13.388
375 HD12 LEU 44 2HD1 LEU 44 0.385 2.329 14.279
376 HD13 LEU 44 3HD1 LEU 44 -1.103 1.667 14.949
377 HD21 LEU 44 3HD2 LEU 44 -2.107 -0.422 13.966
378 HD22 LEU 44 1HD2 LEU 44 -1.324 -1.231 12.610
379 HD23 LEU 44 2HD2 LEU 44 -2.192 0.285 12.350
380 H ASP 45 H ASP 45 1.465 2.496 9.058
381 HA ASP 45 HA ASP 45 2.392 4.839 10.399
382 HB2 ASP 45 2HB ASP 45 3.784 3.673 8.720
383 HB3 ASP 45 1HB ASP 45 2.614 4.052 7.461
384 HA PRO 46 HA PRO 46 -1.306 7.233 9.549
385 HB2 PRO 46 2HB PRO 46 -0.458 9.696 10.417
386 HB3 PRO 46 1HB PRO 46 -0.819 8.364 11.527
387 HG2 PRO 46 2HG PRO 46 1.862 9.242 10.434
388 HG3 PRO 46 1HG PRO 46 1.410 8.885 12.116
389 HD2 PRO 46 2HD PRO 46 2.690 7.062 10.592
390 HD3 PRO 46 1HD PRO 46 1.445 6.565 11.770
391 H ARG 47 H ARG 47 1.808 8.143 8.155
392 HA ARG 47 HA ARG 47 0.839 10.236 6.431
393 HE ARG 47 HE ARG 47 2.225 12.394 5.418
394 HB2 ARG 47 2HB ARG 47 3.458 8.680 6.418
395 HB3 ARG 47 1HB ARG 47 3.130 10.077 5.391
396 HG2 ARG 47 2HG ARG 47 3.182 10.117 8.438
397 HG3 ARG 47 1HG ARG 47 4.502 10.641 7.382
398 HD2 ARG 47 2HD ARG 47 1.739 11.899 7.624
399 HD3 ARG 47 1HD ARG 47 3.276 12.606 8.131
400 HH11 ARG 47 1HH1 ARG 47 4.975 13.334 7.395
401 HH12 ARG 47 2HH1 ARG 47 5.787 14.124 6.082
402 HH21 ARG 47 1HH2 ARG 47 3.304 13.427 3.724
403 HH22 ARG 47 2HH2 ARG 47 4.849 14.162 4.008
404 H LEU 48 H LEU 48 1.600 6.791 6.024
405 HA LEU 48 HA LEU 48 0.941 6.571 3.256
406 HG LEU 48 HG LEU 48 3.133 5.289 5.179
407 HB2 LEU 48 2HB LEU 48 0.800 4.477 5.460
408 HB3 LEU 48 1HB LEU 48 0.709 4.129 3.736
409 HD11 LEU 48 1HD1 LEU 48 2.748 2.967 5.820
410 HD12 LEU 48 2HD1 LEU 48 4.187 3.105 4.814
411 HD13 LEU 48 3HD1 LEU 48 2.688 2.478 4.123
412 HD21 LEU 48 3HD2 LEU 48 2.836 4.434 2.275
413 HD22 LEU 48 1HD2 LEU 48 4.344 4.918 3.060
414 HD23 LEU 48 2HD2 LEU 48 3.040 6.084 2.870
415 H LEU 49 H LEU 49 -0.917 6.263 6.261
416 HA LEU 49 HA LEU 49 -3.406 5.515 5.142
417 HG LEU 49 HG LEU 49 -2.143 4.341 7.571
418 HB2 LEU 49 2HB LEU 49 -2.654 6.785 7.784
419 HB3 LEU 49 1HB LEU 49 -4.332 6.460 7.375
420 HD11 LEU 49 1HD1 LEU 49 -4.392 4.969 9.510
421 HD12 LEU 49 2HD1 LEU 49 -2.666 5.231 9.775
422 HD13 LEU 49 3HD1 LEU 49 -3.289 3.591 9.615
423 HD21 LEU 49 3HD2 LEU 49 -3.987 2.703 7.391
424 HD22 LEU 49 1HD2 LEU 49 -3.848 3.696 5.940
425 HD23 LEU 49 2HD2 LEU 49 -5.134 4.017 7.108
426 H ILE 50 H ILE 50 -1.857 8.675 5.375
427 HA ILE 50 HA ILE 50 -4.143 10.282 4.837
428 HB ILE 50 HB ILE 50 -1.231 10.793 4.065
429 HG12 ILE 50 2HG1 ILE 50 -2.861 11.861 6.421
430 HG13 ILE 50 1HG1 ILE 50 -1.625 10.616 6.525
431 HG21 ILE 50 1HG2 ILE 50 -1.864 13.173 3.786
432 HG22 ILE 50 2HG2 ILE 50 -3.557 12.760 4.061
433 HG23 ILE 50 3HG2 ILE 50 -2.717 12.144 2.636
434 HD11 ILE 50 3HD1 ILE 50 -0.782 12.741 7.299
435 HD12 ILE 50 1HD1 ILE 50 -1.178 13.498 5.756
436 HD13 ILE 50 2HD1 ILE 50 0.071 12.252 5.836
437 H ALA 51 H ALA 51 -1.820 8.627 2.694
438 HA ALA 51 HA ALA 51 -2.885 9.418 0.195
439 HB1 ALA 51 1HB ALA 51 -1.402 6.852 0.874
440 HB2 ALA 51 2HB ALA 51 -0.657 8.386 0.425
441 HB3 ALA 51 3HB ALA 51 -1.637 7.509 -0.751
442 H PHE 52 H PHE 52 -3.751 6.794 2.383
443 HA PHE 52 HA PHE 52 -5.687 5.431 0.847
444 HD1 PHE 52 2HD PHE 52 -7.343 3.390 1.867
445 HD2 PHE 52 1HD PHE 52 -6.906 5.909 5.288
446 HE1 PHE 52 2HE PHE 52 -9.527 2.656 2.702
447 HE2 PHE 52 1HE PHE 52 -9.101 5.171 6.112
448 HZ PHE 52 HZ PHE 52 -10.411 3.538 4.817
449 HB2 PHE 52 2HB PHE 52 -5.014 4.294 2.793
450 HB3 PHE 52 1HB PHE 52 -5.119 5.727 3.798
451 H GLN 53 H GLN 53 -6.016 8.214 3.066
452 HA GLN 53 HA GLN 53 -8.839 8.494 3.018
453 HB2 GLN 53 2HB GLN 53 -6.675 10.594 3.483
454 HB3 GLN 53 1HB GLN 53 -8.383 10.812 3.872
455 HG2 GLN 53 2HG GLN 53 -8.311 9.282 5.646
456 HG3 GLN 53 1HG GLN 53 -6.846 8.504 5.056
457 HE21 GLN 53 1HE2 GLN 53 -5.754 8.714 6.979
458 HE22 GLN 53 2HE2 GLN 53 -5.212 10.226 7.607
459 H ASN 54 H ASN 54 -6.294 9.816 0.984
460 HA ASN 54 HA ASN 54 -7.905 11.461 -0.702
461 HB2 ASN 54 2HB ASN 54 -5.158 10.215 -1.160
462 HB3 ASN 54 1HB ASN 54 -5.895 11.410 -2.226
463 HD21 ASN 54 1HD2 ASN 54 -4.173 12.843 -1.854
464 HD22 ASN 54 2HD2 ASN 54 -4.009 13.712 -0.375
465 H ARG 55 H ARG 55 -6.894 8.082 -0.793
466 HA ARG 55 HA ARG 55 -7.779 7.417 -3.408
467 HE ARG 55 HE ARG 55 -7.359 6.519 -4.864
468 HB2 ARG 55 2HB ARG 55 -6.176 6.058 -1.948
469 HB3 ARG 55 1HB ARG 55 -7.568 5.520 -1.024
470 HG2 ARG 55 2HG ARG 55 -7.274 3.735 -2.470
471 HG3 ARG 55 1HG ARG 55 -8.471 4.679 -3.357
472 HD2 ARG 55 2HD ARG 55 -5.469 4.593 -3.868
473 HD3 ARG 55 1HD ARG 55 -6.725 3.875 -4.874
474 HH11 ARG 55 1HH1 ARG 55 -4.456 4.752 -5.746
475 HH12 ARG 55 2HH1 ARG 55 -3.900 5.986 -6.829
476 HH21 ARG 55 1HH2 ARG 55 -6.589 8.116 -6.284
477 HH22 ARG 55 2HH2 ARG 55 -5.100 7.869 -7.129
478 H GLU 56 H GLU 56 -9.379 7.479 -0.263
479 HA GLU 56 HA GLU 56 -11.847 6.241 -0.981
480 HB2 GLU 56 2HB GLU 56 -11.257 8.263 1.233
481 HB3 GLU 56 1HB GLU 56 -12.716 7.278 1.121
482 HG2 GLU 56 2HG GLU 56 -9.896 6.226 1.522
483 HG3 GLU 56 1HG GLU 56 -11.104 6.434 2.789
484 H ARG 57 H ARG 57 -10.674 9.568 -0.948
485 HA ARG 57 HA ARG 57 -13.284 10.694 -1.656
486 HE ARG 57 HE ARG 57 -13.345 15.785 -0.678
487 HB2 ARG 57 2HB ARG 57 -11.727 11.579 0.208
488 HB3 ARG 57 1HB ARG 57 -10.710 12.221 -1.075
489 HG2 ARG 57 2HG ARG 57 -12.600 13.642 -1.844
490 HG3 ARG 57 1HG ARG 57 -13.614 12.961 -0.566
491 HD2 ARG 57 2HD ARG 57 -12.020 13.863 1.132
492 HD3 ARG 57 1HD ARG 57 -11.101 14.623 -0.174
493 HH11 ARG 57 1HH1 ARG 57 -12.291 14.973 2.579
494 HH12 ARG 57 2HH1 ARG 57 -13.138 16.301 3.308
495 HH21 ARG 57 1HH2 ARG 57 -14.447 17.504 0.293
496 HH22 ARG 57 2HH2 ARG 57 -14.370 17.723 2.012
497 H GLN 58 H GLN 58 -11.191 9.207 -3.534
498 HA GLN 58 HA GLN 58 -10.560 11.035 -5.611
499 HB2 GLN 58 2HB GLN 58 -10.958 8.012 -5.637
500 HB3 GLN 58 1HB GLN 58 -10.524 8.917 -7.085
501 HG2 GLN 58 2HG GLN 58 -8.880 8.820 -4.538
502 HG3 GLN 58 1HG GLN 58 -8.584 7.851 -5.987
503 HE21 GLN 58 1HE2 GLN 58 -8.361 11.042 -4.571
504 HE22 GLN 58 2HE2 GLN 58 -7.376 11.736 -5.811
505 H GLU 59 H GLU 59 -13.085 8.488 -5.709
506 HA GLU 59 HA GLU 59 -15.113 8.302 -6.671
507 HB2 GLU 59 2HB GLU 59 -15.273 11.255 -5.930
508 HB3 GLU 59 1HB GLU 59 -16.659 10.270 -6.403
509 HG2 GLU 59 2HG GLU 59 -16.345 8.827 -4.448
510 HG3 GLU 59 1HG GLU 59 -14.890 9.721 -3.993
511 H GLN 60 H GLN 60 -12.828 9.059 -8.383
512 HA GLN 60 HA GLN 60 -13.976 10.545 -10.616
513 HB2 GLN 60 2HB GLN 60 -11.706 10.143 -11.686
514 HB3 GLN 60 1HB GLN 60 -11.676 11.070 -10.193
515 HG2 GLN 60 2HG GLN 60 -10.816 9.198 -8.945
516 HG3 GLN 60 1HG GLN 60 -11.064 8.098 -10.296
517 HE21 GLN 60 1HE2 GLN 60 -8.873 7.476 -10.181
518 HE22 GLN 60 2HE2 GLN 60 -7.606 8.488 -10.774
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 20.284 -5.217 2.604
2 H2 GLY 1 2HT GLY 1 21.241 -4.027 3.328
3 H3 GLY 1 3HT GLY 1 20.943 -5.473 4.142
4 HA2 GLY 1 1HA GLY 1 23.159 -5.488 3.268
5 HA3 GLY 1 2HA GLY 1 22.164 -6.709 2.470
6 H SER 2 H SER 2 23.811 -6.580 0.752
7 HA SER 2 HA SER 2 24.460 -4.206 -0.630
8 HG SER 2 HG SER 2 26.631 -5.463 -2.425
9 HB2 SER 2 2HB SER 2 25.883 -6.248 -0.659
10 HB3 SER 2 1HB SER 2 24.668 -7.081 -1.629
11 H GLU 3 H GLU 3 22.777 -3.041 -1.339
12 HA GLU 3 HA GLU 3 21.270 -2.179 -2.758
13 HB2 GLU 3 2HB GLU 3 21.851 -4.605 -4.505
14 HB3 GLU 3 1HB GLU 3 20.935 -3.186 -5.019
15 HG2 GLU 3 2HG GLU 3 22.952 -1.774 -4.590
16 HG3 GLU 3 1HG GLU 3 23.842 -3.233 -4.168
17 H HIS 4 H HIS 4 20.627 -4.941 -1.058
18 HA HIS 4 HA HIS 4 17.894 -5.349 -1.956
19 HD1 HIS 4 1HD HIS 4 20.736 -8.590 -0.599
20 HD2 HIS 4 2HD HIS 4 17.337 -7.724 -2.827
21 HE1 HIS 4 1HE HIS 4 20.615 -10.377 -2.360
22 HE2 HIS 4 2HE HIS 4 18.421 -9.968 -3.516
23 HB2 HIS 4 2HB HIS 4 19.559 -6.576 0.270
24 HB3 HIS 4 1HB HIS 4 17.827 -6.862 0.156
25 H VAL 5 H VAL 5 17.255 -3.149 -1.704
26 HA VAL 5 HA VAL 5 16.586 -2.347 1.063
27 HB VAL 5 HB VAL 5 17.056 -0.488 -1.322
28 HG11 VAL 5 1HG1 VAL 5 16.467 0.152 1.599
29 HG12 VAL 5 2HG1 VAL 5 15.377 0.423 0.237
30 HG13 VAL 5 3HG1 VAL 5 16.876 1.343 0.366
31 HG21 VAL 5 3HG2 VAL 5 19.103 0.267 -0.122
32 HG22 VAL 5 1HG2 VAL 5 19.197 -1.451 -0.537
33 HG23 VAL 5 2HG2 VAL 5 18.823 -0.960 1.116
34 H PHE 6 H PHE 6 14.476 -2.552 1.429
35 HA PHE 6 HA PHE 6 12.548 -1.589 -0.563
36 HD1 PHE 6 2HD PHE 6 14.117 -5.281 0.530
37 HD2 PHE 6 1HD PHE 6 10.425 -4.102 2.337
38 HE1 PHE 6 2HE PHE 6 14.483 -6.886 2.354
39 HE2 PHE 6 1HE PHE 6 10.803 -5.707 4.154
40 HZ PHE 6 HZ PHE 6 12.831 -7.099 4.166
41 HB2 PHE 6 2HB PHE 6 10.944 -3.412 0.059
42 HB3 PHE 6 1HB PHE 6 12.369 -4.016 -0.761
43 H ALA 7 H ALA 7 10.976 -0.344 0.299
44 HA ALA 7 HA ALA 7 10.346 -0.242 3.118
45 HB1 ALA 7 1HB ALA 7 10.980 2.148 3.426
46 HB2 ALA 7 2HB ALA 7 11.740 2.157 1.830
47 HB3 ALA 7 3HB ALA 7 12.394 1.142 3.116
48 H VAL 8 H VAL 8 8.249 0.519 3.320
49 HA VAL 8 HA VAL 8 6.655 0.775 1.010
50 HB VAL 8 HB VAL 8 5.804 -0.096 3.160
51 HG11 VAL 8 1HG1 VAL 8 6.915 1.412 4.743
52 HG12 VAL 8 2HG1 VAL 8 5.173 1.413 5.021
53 HG13 VAL 8 3HG1 VAL 8 5.930 2.766 4.181
54 HG21 VAL 8 3HG2 VAL 8 3.572 0.945 3.104
55 HG22 VAL 8 1HG2 VAL 8 4.194 0.692 1.473
56 HG23 VAL 8 2HG2 VAL 8 4.219 2.303 2.182
57 H GLU 9 H GLU 9 5.437 2.627 0.245
58 HA GLU 9 HA GLU 9 6.775 5.247 0.676
59 HB2 GLU 9 2HB GLU 9 7.602 4.031 -1.371
60 HB3 GLU 9 1HB GLU 9 5.961 4.012 -1.996
61 HG2 GLU 9 2HG GLU 9 6.028 6.546 -1.968
62 HG3 GLU 9 1HG GLU 9 7.742 6.426 -1.561
63 H SER 10 H SER 10 3.986 3.563 -0.802
64 HA SER 10 HA SER 10 2.067 5.505 0.164
65 HG SER 10 HG SER 10 1.227 7.361 -2.518
66 HB2 SER 10 2HB SER 10 3.094 6.644 -1.843
67 HB3 SER 10 1HB SER 10 2.594 5.284 -2.844
68 H ILE 11 H ILE 11 -0.147 4.983 -1.028
69 HA ILE 11 HA ILE 11 -0.468 2.048 -1.338
70 HB ILE 11 HB ILE 11 -2.499 4.122 -0.369
71 HG12 ILE 11 2HG1 ILE 11 -1.285 1.682 1.002
72 HG13 ILE 11 1HG1 ILE 11 -0.855 3.355 1.345
73 HG21 ILE 11 1HG2 ILE 11 -4.133 2.259 -0.150
74 HG22 ILE 11 2HG2 ILE 11 -2.990 1.163 -0.924
75 HG23 ILE 11 3HG2 ILE 11 -3.674 2.510 -1.839
76 HD11 ILE 11 3HD1 ILE 11 -3.151 3.736 2.182
77 HD12 ILE 11 1HD1 ILE 11 -2.288 2.478 3.066
78 HD13 ILE 11 2HD1 ILE 11 -3.517 2.032 1.885
79 H GLU 12 H GLU 12 -1.049 1.358 -3.265
80 HA GLU 12 HA GLU 12 -1.297 3.184 -5.517
81 HB2 GLU 12 2HB GLU 12 -0.945 0.149 -5.445
82 HB3 GLU 12 1HB GLU 12 -0.770 1.181 -6.861
83 HG2 GLU 12 2HG GLU 12 0.994 1.355 -4.405
84 HG3 GLU 12 1HG GLU 12 1.380 0.396 -5.829
85 H LYS 13 H LYS 13 -2.880 0.275 -4.209
86 HA LYS 13 HA LYS 13 -5.446 0.999 -5.470
87 HB2 LYS 13 2HB LYS 13 -4.274 -1.812 -5.473
88 HB3 LYS 13 1HB LYS 13 -5.821 -1.323 -6.158
89 HG2 LYS 13 2HG LYS 13 -4.604 0.032 -7.856
90 HG3 LYS 13 1HG LYS 13 -3.073 -0.525 -7.165
91 HD2 LYS 13 2HD LYS 13 -3.812 -2.899 -7.669
92 HD3 LYS 13 1HD LYS 13 -5.206 -2.222 -8.519
93 HE2 LYS 13 2HE LYS 13 -2.282 -1.803 -9.228
94 HE3 LYS 13 1HE LYS 13 -3.447 -2.788 -10.113
95 HZ1 LYS 13 3HZ LYS 13 -4.722 -0.755 -10.560
96 HZ2 LYS 13 1HZ LYS 13 -3.154 -0.671 -11.190
97 HZ3 LYS 13 2HZ LYS 13 -3.542 0.159 -9.773
98 H LYS 14 H LYS 14 -7.239 -0.416 -4.543
99 HA LYS 14 HA LYS 14 -6.927 -1.114 -1.709
100 HB2 LYS 14 2HB LYS 14 -7.313 1.404 -1.951
101 HB3 LYS 14 1HB LYS 14 -8.870 1.050 -2.668
102 HG2 LYS 14 2HG LYS 14 -8.112 0.262 0.155
103 HG3 LYS 14 1HG LYS 14 -8.874 1.795 -0.252
104 HD2 LYS 14 2HD LYS 14 -10.801 0.440 -1.224
105 HD3 LYS 14 1HD LYS 14 -10.038 -0.988 -0.528
106 HE2 LYS 14 2HE LYS 14 -11.674 -0.344 1.049
107 HE3 LYS 14 1HE LYS 14 -10.152 0.240 1.726
108 HZ1 LYS 14 3HZ LYS 14 -12.180 1.837 0.264
109 HZ2 LYS 14 1HZ LYS 14 -10.682 2.433 0.766
110 HZ3 LYS 14 2HZ LYS 14 -11.815 1.928 1.910
111 H ARG 15 H ARG 15 -8.443 -2.658 -1.074
112 HA ARG 15 HA ARG 15 -11.075 -2.696 -2.306
113 HE ARG 15 HE ARG 15 -7.967 -4.948 -4.684
114 HB2 ARG 15 2HB ARG 15 -11.165 -5.109 -2.756
115 HB3 ARG 15 1HB ARG 15 -9.894 -4.374 -3.726
116 HG2 ARG 15 2HG ARG 15 -9.155 -5.590 -1.066
117 HG3 ARG 15 1HG ARG 15 -9.483 -6.667 -2.425
118 HD2 ARG 15 2HD ARG 15 -7.452 -4.409 -2.441
119 HD3 ARG 15 1HD ARG 15 -7.070 -6.114 -2.135
120 HH11 ARG 15 1HH1 ARG 15 -6.679 -7.737 -2.952
121 HH12 ARG 15 2HH1 ARG 15 -6.384 -8.639 -4.400
122 HH21 ARG 15 1HH2 ARG 15 -7.571 -6.140 -6.545
123 HH22 ARG 15 2HH2 ARG 15 -6.887 -7.727 -6.444
124 H ILE 16 H ILE 16 -12.641 -3.552 -0.981
125 HA ILE 16 HA ILE 16 -11.851 -4.985 1.488
126 HB ILE 16 HB ILE 16 -14.246 -3.145 1.000
127 HG12 ILE 16 2HG1 ILE 16 -12.154 -3.216 3.189
128 HG13 ILE 16 1HG1 ILE 16 -12.087 -2.135 1.797
129 HG21 ILE 16 1HG2 ILE 16 -13.888 -5.080 3.336
130 HG22 ILE 16 2HG2 ILE 16 -15.129 -5.190 2.085
131 HG23 ILE 16 3HG2 ILE 16 -15.140 -3.843 3.222
132 HD11 ILE 16 3HD1 ILE 16 -12.849 -0.980 3.773
133 HD12 ILE 16 1HD1 ILE 16 -14.177 -2.122 3.971
134 HD13 ILE 16 2HD1 ILE 16 -14.138 -1.042 2.574
135 H ARG 17 H ARG 17 -12.472 -7.040 1.514
136 HA ARG 17 HA ARG 17 -14.906 -7.958 0.330
137 HE ARG 17 HE ARG 17 -14.057 -8.267 -3.517
138 HB2 ARG 17 2HB ARG 17 -13.451 -7.896 -1.691
139 HB3 ARG 17 1HB ARG 17 -12.281 -8.938 -0.892
140 HG2 ARG 17 2HG ARG 17 -13.832 -10.802 -0.911
141 HG3 ARG 17 1HG ARG 17 -15.141 -9.772 -1.496
142 HD2 ARG 17 2HD ARG 17 -12.606 -10.460 -3.037
143 HD3 ARG 17 1HD ARG 17 -14.204 -11.165 -3.306
144 HH11 ARG 17 1HH1 ARG 17 -13.952 -11.275 -5.336
145 HH12 ARG 17 2HH1 ARG 17 -14.328 -10.504 -6.842
146 HH21 ARG 17 1HH2 ARG 17 -14.567 -7.289 -5.486
147 HH22 ARG 17 2HH2 ARG 17 -14.691 -8.246 -6.928
148 H LYS 18 H LYS 18 -15.664 -9.527 1.567
149 HA LYS 18 HA LYS 18 -15.917 -11.164 3.082
150 HB2 LYS 18 2HB LYS 18 -13.177 -12.030 2.067
151 HB3 LYS 18 1HB LYS 18 -14.205 -13.023 3.095
152 HG2 LYS 18 2HG LYS 18 -14.854 -12.084 0.277
153 HG3 LYS 18 1HG LYS 18 -14.384 -13.718 0.745
154 HD2 LYS 18 2HD LYS 18 -16.924 -12.275 1.616
155 HD3 LYS 18 1HD LYS 18 -16.835 -13.525 0.374
156 HE2 LYS 18 2HE LYS 18 -16.215 -15.201 2.028
157 HE3 LYS 18 1HE LYS 18 -16.063 -13.969 3.282
158 HZ1 LYS 18 3HZ LYS 18 -18.570 -14.732 1.905
159 HZ2 LYS 18 1HZ LYS 18 -18.427 -13.560 3.115
160 HZ3 LYS 18 2HZ LYS 18 -18.119 -15.183 3.467
161 H GLY 19 H GLY 19 -15.056 -8.708 4.077
162 HA2 GLY 19 2HA GLY 19 -14.624 -7.836 6.163
163 HA3 GLY 19 1HA GLY 19 -14.268 -9.453 6.735
164 H ARG 20 H ARG 20 -12.520 -8.302 3.971
165 HA ARG 20 HA ARG 20 -10.094 -7.860 5.606
166 HE ARG 20 HE ARG 20 -10.415 -9.770 7.456
167 HB2 ARG 20 2HB ARG 20 -10.294 -9.503 3.049
168 HB3 ARG 20 1HB ARG 20 -8.789 -9.062 3.843
169 HG2 ARG 20 2HG ARG 20 -10.926 -10.782 5.154
170 HG3 ARG 20 1HG ARG 20 -9.583 -11.435 4.220
171 HD2 ARG 20 2HD ARG 20 -8.997 -11.591 6.554
172 HD3 ARG 20 1HD ARG 20 -7.994 -10.331 5.835
173 HH11 ARG 20 1HH1 ARG 20 -7.082 -8.979 6.639
174 HH12 ARG 20 2HH1 ARG 20 -7.034 -7.613 7.705
175 HH21 ARG 20 1HH2 ARG 20 -10.296 -8.000 8.857
176 HH22 ARG 20 2HH2 ARG 20 -8.832 -7.073 8.948
177 H VAL 21 H VAL 21 -9.351 -5.872 5.236
178 HA VAL 21 HA VAL 21 -9.714 -4.659 2.570
179 HB VAL 21 HB VAL 21 -10.685 -3.276 4.311
180 HG11 VAL 21 1HG1 VAL 21 -7.971 -3.162 5.651
181 HG12 VAL 21 2HG1 VAL 21 -9.405 -3.982 6.272
182 HG13 VAL 21 3HG1 VAL 21 -9.391 -2.222 6.119
183 HG21 VAL 21 3HG2 VAL 21 -9.675 -2.139 2.389
184 HG22 VAL 21 1HG2 VAL 21 -8.131 -2.033 3.241
185 HG23 VAL 21 2HG2 VAL 21 -9.532 -1.139 3.838
186 H GLU 22 H GLU 22 -8.085 -4.690 1.276
187 HA GLU 22 HA GLU 22 -5.321 -5.127 2.245
188 HB2 GLU 22 2HB GLU 22 -6.500 -5.776 -0.478
189 HB3 GLU 22 1HB GLU 22 -4.893 -6.207 0.089
190 HG2 GLU 22 2HG GLU 22 -5.712 -7.894 1.504
191 HG3 GLU 22 1HG GLU 22 -7.351 -7.235 1.511
192 H TYR 23 H TYR 23 -3.671 -3.971 1.261
193 HA TYR 23 HA TYR 23 -4.331 -1.630 -0.410
194 HD1 TYR 23 2HD TYR 23 -5.666 -0.151 0.467
195 HD2 TYR 23 1HD TYR 23 -3.650 -0.981 4.146
196 HE1 TYR 23 2HE TYR 23 -7.564 0.721 1.729
197 HE2 TYR 23 1HE TYR 23 -5.577 -0.112 5.396
198 HH TYR 23 HH TYR 23 -7.459 1.496 4.965
199 HB2 TYR 23 2HB TYR 23 -2.612 -1.622 2.117
200 HB3 TYR 23 1HB TYR 23 -2.778 -0.262 1.011
201 H LEU 24 H LEU 24 -3.099 -1.755 -2.193
202 HA LEU 24 HA LEU 24 -0.761 -3.445 -2.364
203 HG LEU 24 HG LEU 24 0.507 -2.322 -4.924
204 HB2 LEU 24 2HB LEU 24 -2.379 -3.040 -4.276
205 HB3 LEU 24 1HB LEU 24 -1.763 -1.400 -4.389
206 HD11 LEU 24 1HD1 LEU 24 0.337 -4.495 -3.823
207 HD12 LEU 24 2HD1 LEU 24 0.750 -4.695 -5.522
208 HD13 LEU 24 3HD1 LEU 24 -0.900 -5.008 -4.974
209 HD21 LEU 24 3HD2 LEU 24 -1.686 -3.273 -6.785
210 HD22 LEU 24 1HD2 LEU 24 0.007 -3.018 -7.217
211 HD23 LEU 24 2HD2 LEU 24 -0.996 -1.648 -6.742
212 H VAL 25 H VAL 25 1.071 -2.747 -1.344
213 HA VAL 25 HA VAL 25 1.499 0.109 -0.921
214 HB VAL 25 HB VAL 25 3.438 -0.574 0.492
215 HG11 VAL 25 1HG1 VAL 25 1.215 -0.243 1.484
216 HG12 VAL 25 2HG1 VAL 25 2.079 -1.533 2.320
217 HG13 VAL 25 3HG1 VAL 25 0.800 -1.933 1.171
218 HG21 VAL 25 3HG2 VAL 25 3.770 -2.950 1.101
219 HG22 VAL 25 1HG2 VAL 25 4.072 -2.686 -0.619
220 HG23 VAL 25 2HG2 VAL 25 2.563 -3.435 -0.093
221 H LYS 26 H LYS 26 2.722 1.329 -2.113
222 HA LYS 26 HA LYS 26 4.453 0.409 -4.183
223 HB2 LYS 26 2HB LYS 26 3.272 2.573 -4.294
224 HB3 LYS 26 1HB LYS 26 4.151 3.152 -2.888
225 HG2 LYS 26 2HG LYS 26 5.017 4.084 -4.991
226 HG3 LYS 26 1HG LYS 26 6.235 3.142 -4.129
227 HD2 LYS 26 2HD LYS 26 5.856 1.237 -5.673
228 HD3 LYS 26 1HD LYS 26 4.615 2.171 -6.523
229 HE2 LYS 26 2HE LYS 26 6.796 2.198 -7.707
230 HE3 LYS 26 1HE LYS 26 6.281 3.813 -7.221
231 HZ1 LYS 26 3HZ LYS 26 7.788 3.678 -5.324
232 HZ2 LYS 26 1HZ LYS 26 8.620 3.476 -6.784
233 HZ3 LYS 26 2HZ LYS 26 8.290 2.135 -5.811
234 H TRP 27 H TRP 27 6.330 -0.565 -3.723
235 HA TRP 27 HA TRP 27 7.937 0.126 -1.401
236 HD1 TRP 27 HD TRP 27 6.304 -3.397 -3.356
237 HE1 TRP 27 1HE TRP 27 5.345 -4.758 -1.398
238 HE3 TRP 27 3HE TRP 27 9.259 -1.614 0.397
239 HZ2 TRP 27 2HZ TRP 27 5.776 -5.043 1.371
240 HZ3 TRP 27 3HZ TRP 27 8.939 -2.476 2.670
241 HH2 TRP 27 HH TRP 27 7.228 -4.155 3.153
242 HB2 TRP 27 2HB TRP 27 8.441 -1.859 -3.670
243 HB3 TRP 27 1HB TRP 27 9.477 -1.661 -2.259
244 H ARG 28 H ARG 28 9.643 1.443 -1.394
245 HA ARG 28 HA ARG 28 10.151 3.289 -3.468
246 HE ARG 28 HE ARG 28 12.227 5.772 -1.320
247 HB2 ARG 28 2HB ARG 28 11.745 2.660 -0.948
248 HB3 ARG 28 1HB ARG 28 12.060 4.038 -2.002
249 HG2 ARG 28 2HG ARG 28 9.720 4.852 -1.506
250 HG3 ARG 28 1HG ARG 28 9.577 3.552 -0.316
251 HD2 ARG 28 2HD ARG 28 10.206 5.730 0.711
252 HD3 ARG 28 1HD ARG 28 11.443 4.492 0.974
253 HH11 ARG 28 1HH1 ARG 28 11.575 6.933 1.927
254 HH12 ARG 28 2HH1 ARG 28 12.742 8.207 1.815
255 HH21 ARG 28 1HH2 ARG 28 13.743 7.415 -1.441
256 HH22 ARG 28 2HH2 ARG 28 13.965 8.487 -0.091
257 H GLY 29 H GLY 29 11.714 3.333 -5.021
258 HA2 GLY 29 2HA GLY 29 13.595 2.729 -6.240
259 HA3 GLY 29 1HA GLY 29 13.917 1.417 -5.117
260 H TRP 30 H TRP 30 11.363 0.192 -5.218
261 HA TRP 30 HA TRP 30 11.558 -1.311 -7.677
262 HD1 TRP 30 HD TRP 30 11.432 -1.682 -3.334
263 HE1 TRP 30 1HE TRP 30 13.411 -3.228 -2.803
264 HE3 TRP 30 3HE TRP 30 11.694 -4.234 -7.777
265 HZ2 TRP 30 2HZ TRP 30 14.901 -5.249 -4.082
266 HZ3 TRP 30 3HZ TRP 30 13.435 -5.962 -8.039
267 HH2 TRP 30 HH TRP 30 15.004 -6.459 -6.224
268 HB2 TRP 30 2HB TRP 30 9.639 -1.590 -5.306
269 HB3 TRP 30 1HB TRP 30 9.827 -2.754 -6.616
270 H SER 31 H SER 31 9.957 -1.517 -9.228
271 HA SER 31 HA SER 31 8.345 0.780 -9.819
272 HG SER 31 HG SER 31 10.457 -0.846 -11.278
273 HB2 SER 31 2HB SER 31 8.466 -1.964 -11.153
274 HB3 SER 31 1HB SER 31 7.674 -0.536 -11.827
275 HA PRO 32 HA PRO 32 4.343 -0.280 -8.025
276 HB2 PRO 32 2HB PRO 32 2.647 0.009 -10.273
277 HB3 PRO 32 1HB PRO 32 3.134 1.300 -9.170
278 HG2 PRO 32 2HG PRO 32 4.315 0.520 -11.824
279 HG3 PRO 32 1HG PRO 32 4.006 2.143 -11.171
280 HD2 PRO 32 2HD PRO 32 6.479 1.163 -11.167
281 HD3 PRO 32 1HD PRO 32 5.890 2.061 -9.747
282 H LYS 33 H LYS 33 5.392 -2.019 -10.890
283 HA LYS 33 HA LYS 33 3.442 -4.155 -10.638
284 HB2 LYS 33 2HB LYS 33 4.663 -5.190 -12.521
285 HB3 LYS 33 1HB LYS 33 4.216 -3.520 -12.847
286 HG2 LYS 33 2HG LYS 33 6.572 -2.832 -12.292
287 HG3 LYS 33 1HG LYS 33 6.981 -4.542 -12.110
288 HD2 LYS 33 2HD LYS 33 7.653 -3.764 -14.329
289 HD3 LYS 33 1HD LYS 33 6.339 -4.932 -14.485
290 HE2 LYS 33 2HE LYS 33 4.738 -2.999 -14.718
291 HE3 LYS 33 1HE LYS 33 6.120 -1.903 -14.703
292 HZ1 LYS 33 3HZ LYS 33 5.561 -4.010 -16.709
293 HZ2 LYS 33 1HZ LYS 33 6.946 -3.041 -16.682
294 HZ3 LYS 33 2HZ LYS 33 5.432 -2.340 -16.932
295 H TYR 34 H TYR 34 6.203 -3.443 -8.886
296 HA TYR 34 HA TYR 34 6.659 -6.289 -8.137
297 HD1 TYR 34 1HD TYR 34 8.929 -7.427 -9.010
298 HD2 TYR 34 2HD TYR 34 9.163 -3.287 -10.034
299 HE1 TYR 34 1HE TYR 34 9.867 -8.023 -11.195
300 HE2 TYR 34 2HE TYR 34 10.107 -3.888 -12.223
301 HH TYR 34 HH TYR 34 11.213 -5.683 -13.340
302 HB2 TYR 34 2HB TYR 34 8.531 -3.882 -7.820
303 HB3 TYR 34 1HB TYR 34 8.873 -5.511 -7.240
304 H ASN 35 H ASN 35 4.521 -4.418 -7.266
305 HA ASN 35 HA ASN 35 5.099 -3.918 -4.441
306 HB2 ASN 35 2HB ASN 35 2.678 -3.258 -6.159
307 HB3 ASN 35 1HB ASN 35 2.789 -2.894 -4.437
308 HD21 ASN 35 1HD2 ASN 35 2.329 -0.930 -6.286
309 HD22 ASN 35 2HD2 ASN 35 3.691 0.126 -6.365
310 H THR 36 H THR 36 3.586 -4.615 -2.779
311 HA THR 36 HA THR 36 2.347 -7.267 -3.291
312 HB THR 36 HB THR 36 3.041 -7.866 -0.924
313 HG1 THR 36 1HG THR 36 3.499 -5.948 0.034
314 HG21 THR 36 3HG2 THR 36 4.378 -8.714 -2.821
315 HG22 THR 36 1HG2 THR 36 5.412 -8.358 -1.431
316 HG23 THR 36 2HG2 THR 36 5.350 -7.241 -2.795
317 H TRP 37 H TRP 37 0.426 -7.726 -2.157
318 HA TRP 37 HA TRP 37 -1.157 -5.466 -1.247
319 HD1 TRP 37 HD TRP 37 -1.476 -8.684 -4.126
320 HE1 TRP 37 1HE TRP 37 -2.570 -7.531 -6.144
321 HE3 TRP 37 3HE TRP 37 -3.892 -4.905 -1.685
322 HZ2 TRP 37 2HZ TRP 37 -4.240 -5.308 -6.641
323 HZ3 TRP 37 3HZ TRP 37 -5.207 -3.298 -2.995
324 HH2 TRP 37 HH TRP 37 -5.378 -3.504 -5.428
325 HB2 TRP 37 2HB TRP 37 -1.788 -8.444 -1.503
326 HB3 TRP 37 1HB TRP 37 -2.956 -7.247 -0.951
327 H GLU 38 H GLU 38 -0.641 -4.744 0.747
328 HA GLU 38 HA GLU 38 -0.194 -6.605 2.968
329 HB2 GLU 38 2HB GLU 38 -0.007 -3.562 2.941
330 HB3 GLU 38 1HB GLU 38 0.473 -4.622 4.262
331 HG2 GLU 38 2HG GLU 38 1.772 -4.348 1.555
332 HG3 GLU 38 1HG GLU 38 2.440 -3.884 3.117
333 HA PRO 39 HA PRO 39 -4.473 -5.860 4.400
334 HB2 PRO 39 2HB PRO 39 -4.137 -7.064 6.870
335 HB3 PRO 39 1HB PRO 39 -4.484 -7.957 5.385
336 HG2 PRO 39 2HG PRO 39 -1.829 -7.484 6.730
337 HG3 PRO 39 1HG PRO 39 -2.470 -8.987 6.037
338 HD2 PRO 39 2HD PRO 39 -0.686 -7.471 4.688
339 HD3 PRO 39 1HD PRO 39 -1.995 -8.329 3.841
340 H GLU 40 H GLU 40 -5.389 -4.682 6.222
341 HA GLU 40 HA GLU 40 -4.212 -2.208 6.709
342 HB2 GLU 40 2HB GLU 40 -6.066 -1.733 8.181
343 HB3 GLU 40 1HB GLU 40 -6.674 -2.730 6.869
344 HG2 GLU 40 2HG GLU 40 -5.976 -3.784 9.634
345 HG3 GLU 40 1HG GLU 40 -7.594 -3.310 9.138
346 H GLU 41 H GLU 41 -3.880 -5.183 8.535
347 HA GLU 41 HA GLU 41 -2.983 -4.092 11.011
348 HB2 GLU 41 2HB GLU 41 -2.287 -6.423 11.521
349 HB3 GLU 41 1HB GLU 41 -3.922 -6.340 10.875
350 HG2 GLU 41 2HG GLU 41 -3.070 -7.028 8.653
351 HG3 GLU 41 1HG GLU 41 -1.448 -7.156 9.328
352 H ASN 42 H ASN 42 -1.325 -4.992 8.004
353 HA ASN 42 HA ASN 42 1.342 -4.510 9.042
354 HB2 ASN 42 2HB ASN 42 0.379 -4.786 6.156
355 HB3 ASN 42 1HB ASN 42 2.072 -4.683 6.648
356 HD21 ASN 42 1HD2 ASN 42 2.680 -6.696 5.925
357 HD22 ASN 42 2HD2 ASN 42 2.063 -8.176 6.564
358 H ILE 43 H ILE 43 -1.230 -2.557 7.937
359 HA ILE 43 HA ILE 43 0.490 -0.277 7.196
360 HB ILE 43 HB ILE 43 -2.521 -0.621 6.787
361 HG12 ILE 43 2HG1 ILE 43 -1.312 -2.247 5.401
362 HG13 ILE 43 1HG1 ILE 43 -1.944 -0.975 4.368
363 HG21 ILE 43 1HG2 ILE 43 -0.644 1.511 5.674
364 HG22 ILE 43 2HG2 ILE 43 -1.893 1.757 6.898
365 HG23 ILE 43 3HG2 ILE 43 -2.351 1.325 5.251
366 HD11 ILE 43 3HD1 ILE 43 0.285 -1.644 3.711
367 HD12 ILE 43 1HD1 ILE 43 0.909 -1.214 5.302
368 HD13 ILE 43 2HD1 ILE 43 0.265 0.038 4.237
369 H LEU 44 H LEU 44 1.009 -0.372 9.522
370 HA LEU 44 HA LEU 44 -0.923 0.690 11.425
371 HG LEU 44 HG LEU 44 1.218 1.397 13.689
372 HB2 LEU 44 2HB LEU 44 0.792 -1.081 11.973
373 HB3 LEU 44 1HB LEU 44 2.050 0.117 11.744
374 HD11 LEU 44 1HD1 LEU 44 -0.559 0.485 15.139
375 HD12 LEU 44 2HD1 LEU 44 -0.875 -0.781 13.948
376 HD13 LEU 44 3HD1 LEU 44 -1.161 0.911 13.537
377 HD21 LEU 44 3HD2 LEU 44 1.648 -1.542 14.322
378 HD22 LEU 44 1HD2 LEU 44 1.851 -0.198 15.451
379 HD23 LEU 44 2HD2 LEU 44 2.915 -0.343 14.054
380 H ASP 45 H ASP 45 1.094 1.932 9.077
381 HA ASP 45 HA ASP 45 2.016 4.326 10.423
382 HB2 ASP 45 2HB ASP 45 3.482 3.119 8.850
383 HB3 ASP 45 1HB ASP 45 2.321 3.370 7.548
384 HA PRO 46 HA PRO 46 -1.696 6.574 9.177
385 HB2 PRO 46 2HB PRO 46 -0.476 9.032 10.258
386 HB3 PRO 46 1HB PRO 46 -1.822 8.081 10.894
387 HG2 PRO 46 2HG PRO 46 0.602 8.189 12.126
388 HG3 PRO 46 1HG PRO 46 -0.443 6.754 12.207
389 HD2 PRO 46 2HD PRO 46 1.931 7.271 10.397
390 HD3 PRO 46 1HD PRO 46 1.540 5.821 11.354
391 H ARG 47 H ARG 47 1.489 7.429 8.009
392 HA ARG 47 HA ARG 47 0.713 9.634 6.320
393 HE ARG 47 HE ARG 47 3.632 11.282 5.508
394 HB2 ARG 47 2HB ARG 47 3.175 7.850 6.177
395 HB3 ARG 47 1HB ARG 47 2.971 9.360 5.298
396 HG2 ARG 47 2HG ARG 47 3.062 9.108 8.331
397 HG3 ARG 47 1HG ARG 47 4.424 9.575 7.308
398 HD2 ARG 47 2HD ARG 47 1.810 11.100 7.607
399 HD3 ARG 47 1HD ARG 47 3.366 11.559 8.308
400 HH11 ARG 47 1HH1 ARG 47 2.193 13.515 7.820
401 HH12 ARG 47 2HH1 ARG 47 2.285 14.863 6.736
402 HH21 ARG 47 1HH2 ARG 47 3.708 13.050 4.108
403 HH22 ARG 47 2HH2 ARG 47 3.126 14.598 4.630
404 H LEU 48 H LEU 48 0.877 6.162 5.981
405 HA LEU 48 HA LEU 48 0.422 5.978 3.167
406 HG LEU 48 HG LEU 48 2.166 4.410 5.454
407 HB2 LEU 48 2HB LEU 48 -0.246 3.966 5.347
408 HB3 LEU 48 1HB LEU 48 -0.136 3.623 3.624
409 HD11 LEU 48 1HD1 LEU 48 1.580 1.772 4.081
410 HD12 LEU 48 2HD1 LEU 48 1.413 2.117 5.806
411 HD13 LEU 48 3HD1 LEU 48 3.006 2.151 5.054
412 HD21 LEU 48 3HD2 LEU 48 3.641 4.048 3.506
413 HD22 LEU 48 1HD2 LEU 48 2.524 5.389 3.250
414 HD23 LEU 48 2HD2 LEU 48 2.228 3.834 2.471
415 H LEU 49 H LEU 49 -1.654 6.318 5.992
416 HA LEU 49 HA LEU 49 -4.152 5.726 4.768
417 HG LEU 49 HG LEU 49 -2.734 5.280 7.721
418 HB2 LEU 49 2HB LEU 49 -3.630 7.499 7.183
419 HB3 LEU 49 1HB LEU 49 -5.182 6.806 6.730
420 HD11 LEU 49 1HD1 LEU 49 -3.916 6.459 9.492
421 HD12 LEU 49 2HD1 LEU 49 -4.153 4.721 9.651
422 HD13 LEU 49 3HD1 LEU 49 -5.449 5.729 9.000
423 HD21 LEU 49 3HD2 LEU 49 -3.857 3.926 6.028
424 HD22 LEU 49 1HD2 LEU 49 -5.415 4.160 6.827
425 HD23 LEU 49 2HD2 LEU 49 -4.134 3.245 7.628
426 H ILE 50 H ILE 50 -2.148 8.604 4.812
427 HA ILE 50 HA ILE 50 -4.052 10.489 3.828
428 HB ILE 50 HB ILE 50 -1.023 10.410 3.419
429 HG12 ILE 50 2HG1 ILE 50 -2.656 11.862 5.553
430 HG13 ILE 50 1HG1 ILE 50 -1.682 10.423 5.827
431 HG21 ILE 50 1HG2 ILE 50 -2.937 12.751 3.085
432 HG22 ILE 50 2HG2 ILE 50 -2.084 11.912 1.786
433 HG23 ILE 50 3HG2 ILE 50 -1.177 12.840 2.981
434 HD11 ILE 50 3HD1 ILE 50 -0.649 13.144 5.026
435 HD12 ILE 50 1HD1 ILE 50 0.341 11.702 5.271
436 HD13 ILE 50 2HD1 ILE 50 -0.549 12.402 6.621
437 H ALA 51 H ALA 51 -1.662 8.380 2.240
438 HA ALA 51 HA ALA 51 -2.235 8.982 -0.457
439 HB1 ALA 51 1HB ALA 51 -1.024 6.894 -0.970
440 HB2 ALA 51 2HB ALA 51 -1.126 6.414 0.728
441 HB3 ALA 51 3HB ALA 51 -0.183 7.833 0.265
442 H PHE 52 H PHE 52 -3.629 6.656 1.779
443 HA PHE 52 HA PHE 52 -5.399 5.251 0.116
444 HD1 PHE 52 1HD PHE 52 -7.059 3.196 1.169
445 HD2 PHE 52 2HD PHE 52 -7.462 6.346 4.035
446 HE1 PHE 52 1HE PHE 52 -9.356 2.490 1.649
447 HE2 PHE 52 2HE PHE 52 -9.767 5.622 4.503
448 HZ PHE 52 HZ PHE 52 -10.713 3.690 3.308
449 HB2 PHE 52 2HB PHE 52 -5.026 4.395 2.304
450 HB3 PHE 52 1HB PHE 52 -5.347 5.942 3.069
451 H GLN 53 H GLN 53 -5.988 8.167 2.127
452 HA GLN 53 HA GLN 53 -8.672 8.608 1.454
453 HB2 GLN 53 2HB GLN 53 -6.541 10.616 2.302
454 HB3 GLN 53 1HB GLN 53 -8.252 11.009 2.178
455 HG2 GLN 53 2HG GLN 53 -7.027 8.973 4.055
456 HG3 GLN 53 1HG GLN 53 -7.612 10.576 4.495
457 HE21 GLN 53 1HE2 GLN 53 -8.444 7.926 5.466
458 HE22 GLN 53 2HE2 GLN 53 -10.144 7.824 5.166
459 H ASN 54 H ASN 54 -5.722 9.891 -0.037
460 HA ASN 54 HA ASN 54 -6.824 11.595 -1.964
461 HB2 ASN 54 2HB ASN 54 -4.266 9.929 -2.113
462 HB3 ASN 54 1HB ASN 54 -4.664 11.233 -3.230
463 HD21 ASN 54 1HD2 ASN 54 -2.383 10.952 -1.419
464 HD22 ASN 54 2HD2 ASN 54 -2.409 12.344 -0.399
465 H ARG 55 H ARG 55 -6.006 8.126 -2.171
466 HA ARG 55 HA ARG 55 -6.538 7.793 -4.926
467 HE ARG 55 HE ARG 55 -7.892 3.514 -3.232
468 HB2 ARG 55 2HB ARG 55 -5.183 6.270 -3.330
469 HB3 ARG 55 1HB ARG 55 -6.731 5.577 -2.860
470 HG2 ARG 55 2HG ARG 55 -6.937 5.336 -5.573
471 HG3 ARG 55 1HG ARG 55 -5.184 5.280 -5.401
472 HD2 ARG 55 2HD ARG 55 -5.897 3.030 -5.352
473 HD3 ARG 55 1HD ARG 55 -5.562 3.433 -3.666
474 HH11 ARG 55 1HH1 ARG 55 -7.211 2.363 -6.495
475 HH12 ARG 55 2HH1 ARG 55 -8.817 1.758 -6.731
476 HH21 ARG 55 1HH2 ARG 55 -9.968 2.711 -3.567
477 HH22 ARG 55 2HH2 ARG 55 -10.382 1.962 -5.080
478 H GLU 56 H GLU 56 -8.547 7.286 -2.045
479 HA GLU 56 HA GLU 56 -10.754 6.022 -3.282
480 HB2 GLU 56 2HB GLU 56 -10.694 7.724 -0.753
481 HB3 GLU 56 1HB GLU 56 -12.009 6.648 -1.220
482 HG2 GLU 56 2HG GLU 56 -9.191 5.865 -0.433
483 HG3 GLU 56 1HG GLU 56 -10.667 5.583 0.482
484 H ARG 57 H ARG 57 -9.961 9.406 -2.724
485 HA ARG 57 HA ARG 57 -12.522 10.445 -3.597
486 HE ARG 57 HE ARG 57 -11.607 11.813 1.215
487 HB2 ARG 57 2HB ARG 57 -9.898 11.811 -2.887
488 HB3 ARG 57 1HB ARG 57 -11.395 12.669 -3.257
489 HG2 ARG 57 2HG ARG 57 -12.494 11.666 -1.308
490 HG3 ARG 57 1HG ARG 57 -11.054 10.706 -0.957
491 HD2 ARG 57 2HD ARG 57 -9.781 12.776 -0.537
492 HD3 ARG 57 1HD ARG 57 -11.215 13.740 -0.907
493 HH11 ARG 57 1HH1 ARG 57 -10.605 15.103 0.501
494 HH12 ARG 57 2HH1 ARG 57 -10.896 15.666 2.113
495 HH21 ARG 57 1HH2 ARG 57 -11.999 12.559 3.303
496 HH22 ARG 57 2HH2 ARG 57 -11.677 14.211 3.714
497 H GLN 58 H GLN 58 -9.379 9.824 -5.032
498 HA GLN 58 HA GLN 58 -9.896 11.253 -7.491
499 HB2 GLN 58 2HB GLN 58 -7.789 9.131 -6.838
500 HB3 GLN 58 1HB GLN 58 -7.874 10.027 -8.351
501 HG2 GLN 58 2HG GLN 58 -7.260 11.126 -5.606
502 HG3 GLN 58 1HG GLN 58 -6.177 11.034 -6.994
503 HE21 GLN 58 1HE2 GLN 58 -6.502 12.502 -8.732
504 HE22 GLN 58 2HE2 GLN 58 -7.383 13.969 -8.514
505 H GLU 59 H GLU 59 -10.387 7.982 -6.285
506 HA GLU 59 HA GLU 59 -11.262 6.895 -8.817
507 HB2 GLU 59 2HB GLU 59 -10.256 5.435 -7.065
508 HB3 GLU 59 1HB GLU 59 -11.594 5.798 -5.978
509 HG2 GLU 59 2HG GLU 59 -13.163 4.695 -7.534
510 HG3 GLU 59 1HG GLU 59 -11.838 4.361 -8.647
511 H GLN 60 H GLN 60 -12.896 8.140 -9.554
512 HA GLN 60 HA GLN 60 -15.086 9.110 -8.000
513 HB2 GLN 60 2HB GLN 60 -15.997 9.848 -10.259
514 HB3 GLN 60 1HB GLN 60 -14.408 10.470 -9.837
515 HG2 GLN 60 2HG GLN 60 -13.353 8.804 -11.318
516 HG3 GLN 60 1HG GLN 60 -14.943 8.180 -11.752
517 HE21 GLN 60 1HE2 GLN 60 -14.603 8.640 -13.950
518 HE22 GLN 60 2HE2 GLN 60 -14.589 10.250 -14.571
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 26.375 5.720 0.499
2 H2 GLY 1 2HT GLY 1 24.723 5.377 0.534
3 H3 GLY 1 3HT GLY 1 25.355 6.360 -0.688
4 HA2 GLY 1 1HA GLY 1 26.617 4.514 -1.564
5 HA3 GLY 1 2HA GLY 1 25.976 3.496 -0.280
6 H SER 2 H SER 2 24.488 2.138 -1.146
7 HA SER 2 HA SER 2 22.299 3.205 -2.784
8 HG SER 2 HG SER 2 22.061 0.386 -4.472
9 HB2 SER 2 2HB SER 2 23.988 2.426 -4.435
10 HB3 SER 2 1HB SER 2 24.024 0.840 -3.671
11 H GLU 3 H GLU 3 20.399 2.128 -2.484
12 HA GLU 3 HA GLU 3 20.294 -0.279 -0.825
13 HB2 GLU 3 2HB GLU 3 18.587 0.742 0.675
14 HB3 GLU 3 1HB GLU 3 20.142 1.557 0.808
15 HG2 GLU 3 2HG GLU 3 19.269 3.355 -0.700
16 HG3 GLU 3 1HG GLU 3 17.699 2.554 -0.691
17 H HIS 4 H HIS 4 18.780 -1.644 -1.518
18 HA HIS 4 HA HIS 4 16.547 -0.742 -3.270
19 HD1 HIS 4 1HD HIS 4 15.820 -1.440 -5.678
20 HD2 HIS 4 2HD HIS 4 16.275 -5.324 -4.275
21 HE1 HIS 4 1HE HIS 4 14.090 -2.799 -6.888
22 HE2 HIS 4 2HE HIS 4 14.387 -5.138 -6.028
23 HB2 HIS 4 2HB HIS 4 18.269 -2.185 -4.424
24 HB3 HIS 4 1HB HIS 4 17.979 -3.460 -3.249
25 H VAL 5 H VAL 5 16.405 -0.480 -0.592
26 HA VAL 5 HA VAL 5 15.593 -2.790 0.887
27 HB VAL 5 HB VAL 5 16.766 -0.936 1.993
28 HG11 VAL 5 1HG1 VAL 5 14.329 0.796 1.392
29 HG12 VAL 5 2HG1 VAL 5 15.912 0.940 0.623
30 HG13 VAL 5 3HG1 VAL 5 15.735 1.287 2.344
31 HG21 VAL 5 3HG2 VAL 5 13.931 -1.206 3.097
32 HG22 VAL 5 1HG2 VAL 5 15.340 -0.648 4.006
33 HG23 VAL 5 2HG2 VAL 5 15.271 -2.311 3.417
34 H PHE 6 H PHE 6 13.562 -3.554 1.256
35 HA PHE 6 HA PHE 6 11.231 -2.434 0.050
36 HD1 PHE 6 2HD PHE 6 13.498 -5.229 2.035
37 HD2 PHE 6 1HD PHE 6 9.443 -4.875 3.356
38 HE1 PHE 6 2HE PHE 6 14.086 -6.330 4.156
39 HE2 PHE 6 1HE PHE 6 10.043 -5.975 5.473
40 HZ PHE 6 HZ PHE 6 12.361 -6.701 5.870
41 HB2 PHE 6 2HB PHE 6 9.971 -4.237 1.141
42 HB3 PHE 6 1HB PHE 6 11.419 -4.883 0.397
43 H ALA 7 H ALA 7 10.647 -0.502 0.728
44 HA ALA 7 HA ALA 7 9.712 -0.080 3.466
45 HB1 ALA 7 1HB ALA 7 11.632 1.851 2.088
46 HB2 ALA 7 2HB ALA 7 12.004 0.858 3.496
47 HB3 ALA 7 3HB ALA 7 10.804 2.144 3.620
48 H VAL 8 H VAL 8 7.745 0.806 3.346
49 HA VAL 8 HA VAL 8 6.495 1.006 0.803
50 HB VAL 8 HB VAL 8 5.393 -0.010 2.731
51 HG11 VAL 8 1HG1 VAL 8 4.528 1.313 4.629
52 HG12 VAL 8 2HG1 VAL 8 5.275 2.770 3.972
53 HG13 VAL 8 3HG1 VAL 8 6.286 1.435 4.528
54 HG21 VAL 8 3HG2 VAL 8 3.153 0.986 2.441
55 HG22 VAL 8 1HG2 VAL 8 4.002 0.872 0.897
56 HG23 VAL 8 2HG2 VAL 8 3.876 2.425 1.720
57 H GLU 9 H GLU 9 5.449 2.729 -0.159
58 HA GLU 9 HA GLU 9 6.409 5.452 0.498
59 HB2 GLU 9 2HB GLU 9 7.362 4.645 -1.607
60 HB3 GLU 9 1HB GLU 9 5.776 4.191 -2.207
61 HG2 GLU 9 2HG GLU 9 6.540 6.224 -3.300
62 HG3 GLU 9 1HG GLU 9 5.119 6.567 -2.313
63 H SER 10 H SER 10 3.701 3.767 -1.210
64 HA SER 10 HA SER 10 1.698 5.330 0.198
65 HG SER 10 HG SER 10 2.631 7.230 -0.622
66 HB2 SER 10 2HB SER 10 2.067 5.667 -2.815
67 HB3 SER 10 1HB SER 10 0.637 6.207 -1.928
68 H ILE 11 H ILE 11 -0.525 4.771 -0.516
69 HA ILE 11 HA ILE 11 -0.835 1.932 -1.227
70 HB ILE 11 HB ILE 11 -2.790 3.963 -0.041
71 HG12 ILE 11 2HG1 ILE 11 -1.487 1.478 1.179
72 HG13 ILE 11 1HG1 ILE 11 -1.036 3.146 1.534
73 HG21 ILE 11 1HG2 ILE 11 -4.423 2.110 0.189
74 HG22 ILE 11 2HG2 ILE 11 -3.337 1.037 -0.694
75 HG23 ILE 11 3HG2 ILE 11 -4.046 2.433 -1.508
76 HD11 ILE 11 3HD1 ILE 11 -2.356 2.201 3.322
77 HD12 ILE 11 1HD1 ILE 11 -3.671 1.826 2.207
78 HD13 ILE 11 2HD1 ILE 11 -3.247 3.507 2.544
79 H GLU 12 H GLU 12 -1.345 1.440 -3.231
80 HA GLU 12 HA GLU 12 -1.896 3.400 -5.290
81 HB2 GLU 12 2HB GLU 12 -1.565 0.368 -5.554
82 HB3 GLU 12 1HB GLU 12 -1.431 1.565 -6.844
83 HG2 GLU 12 2HG GLU 12 0.477 1.247 -4.500
84 HG3 GLU 12 1HG GLU 12 0.755 0.653 -6.137
85 H LYS 13 H LYS 13 -3.293 0.319 -4.177
86 HA LYS 13 HA LYS 13 -5.914 1.011 -5.347
87 HB2 LYS 13 2HB LYS 13 -4.386 -1.612 -5.643
88 HB3 LYS 13 1HB LYS 13 -6.084 -1.415 -6.071
89 HG2 LYS 13 2HG LYS 13 -5.539 0.150 -7.835
90 HG3 LYS 13 1HG LYS 13 -3.854 0.229 -7.319
91 HD2 LYS 13 2HD LYS 13 -4.131 -1.150 -9.346
92 HD3 LYS 13 1HD LYS 13 -3.499 -2.096 -8.001
93 HE2 LYS 13 2HE LYS 13 -5.747 -3.035 -7.602
94 HE3 LYS 13 1HE LYS 13 -6.390 -2.071 -8.936
95 HZ1 LYS 13 3HZ LYS 13 -4.893 -3.246 -10.425
96 HZ2 LYS 13 1HZ LYS 13 -5.936 -4.314 -9.633
97 HZ3 LYS 13 2HZ LYS 13 -4.328 -4.186 -9.136
98 H LYS 14 H LYS 14 -7.667 -0.367 -4.537
99 HA LYS 14 HA LYS 14 -7.470 -1.029 -1.676
100 HB2 LYS 14 2HB LYS 14 -7.880 1.313 -1.529
101 HB3 LYS 14 1HB LYS 14 -8.925 1.324 -2.937
102 HG2 LYS 14 2HG LYS 14 -10.220 1.757 -0.932
103 HG3 LYS 14 1HG LYS 14 -10.713 0.224 -1.651
104 HD2 LYS 14 2HD LYS 14 -9.394 -0.997 0.052
105 HD3 LYS 14 1HD LYS 14 -8.885 0.542 0.752
106 HE2 LYS 14 2HE LYS 14 -11.746 -0.479 0.620
107 HE3 LYS 14 1HE LYS 14 -10.716 -0.469 2.050
108 HZ1 LYS 14 3HZ LYS 14 -12.257 1.395 2.015
109 HZ2 LYS 14 1HZ LYS 14 -11.596 1.946 0.564
110 HZ3 LYS 14 2HZ LYS 14 -10.658 1.931 1.966
111 H ARG 15 H ARG 15 -8.848 -2.627 -1.123
112 HA ARG 15 HA ARG 15 -11.556 -2.733 -2.059
113 HE ARG 15 HE ARG 15 -8.542 -4.449 -5.184
114 HB2 ARG 15 2HB ARG 15 -11.592 -5.048 -2.899
115 HB3 ARG 15 1HB ARG 15 -10.493 -4.089 -3.889
116 HG2 ARG 15 2HG ARG 15 -9.382 -5.690 -1.576
117 HG3 ARG 15 1HG ARG 15 -9.795 -6.521 -3.081
118 HD2 ARG 15 2HD ARG 15 -7.921 -4.128 -2.917
119 HD3 ARG 15 1HD ARG 15 -7.380 -5.813 -2.839
120 HH11 ARG 15 1HH1 ARG 15 -7.000 -7.326 -3.852
121 HH12 ARG 15 2HH1 ARG 15 -6.714 -8.036 -5.410
122 HH21 ARG 15 1HH2 ARG 15 -8.092 -5.379 -7.222
123 HH22 ARG 15 2HH2 ARG 15 -7.321 -6.930 -7.310
124 H ILE 16 H ILE 16 -12.868 -3.930 -0.661
125 HA ILE 16 HA ILE 16 -11.589 -5.481 1.520
126 HB ILE 16 HB ILE 16 -14.433 -4.374 1.280
127 HG12 ILE 16 2HG1 ILE 16 -12.203 -3.833 3.267
128 HG13 ILE 16 1HG1 ILE 16 -12.717 -2.728 1.996
129 HG21 ILE 16 1HG2 ILE 16 -14.910 -5.397 3.501
130 HG22 ILE 16 2HG2 ILE 16 -13.338 -6.193 3.478
131 HG23 ILE 16 3HG2 ILE 16 -14.559 -6.633 2.284
132 HD11 ILE 16 3HD1 ILE 16 -14.331 -3.583 4.405
133 HD12 ILE 16 1HD1 ILE 16 -14.909 -2.519 3.117
134 HD13 ILE 16 2HD1 ILE 16 -13.565 -2.017 4.142
135 H ARG 17 H ARG 17 -11.770 -7.647 1.441
136 HA ARG 17 HA ARG 17 -13.936 -8.895 -0.019
137 HE ARG 17 HE ARG 17 -14.296 -11.798 -3.516
138 HB2 ARG 17 2HB ARG 17 -11.802 -8.635 -1.556
139 HB3 ARG 17 1HB ARG 17 -11.123 -9.921 -0.570
140 HG2 ARG 17 2HG ARG 17 -12.069 -10.877 -2.587
141 HG3 ARG 17 1HG ARG 17 -13.033 -11.395 -1.198
142 HD2 ARG 17 2HD ARG 17 -14.670 -9.580 -1.710
143 HD3 ARG 17 1HD ARG 17 -13.733 -9.166 -3.146
144 HH11 ARG 17 1HH1 ARG 17 -16.358 -9.056 -2.746
145 HH12 ARG 17 2HH1 ARG 17 -17.713 -9.676 -3.627
146 HH21 ARG 17 1HH2 ARG 17 -16.101 -12.597 -4.659
147 HH22 ARG 17 2HH2 ARG 17 -17.567 -11.677 -4.715
148 H LYS 18 H LYS 18 -14.662 -10.707 0.984
149 HA LYS 18 HA LYS 18 -15.061 -12.214 2.615
150 HB2 LYS 18 2HB LYS 18 -12.021 -12.416 2.542
151 HB3 LYS 18 1HB LYS 18 -13.005 -13.462 3.559
152 HG2 LYS 18 2HG LYS 18 -13.278 -13.280 0.535
153 HG3 LYS 18 1HG LYS 18 -12.292 -14.485 1.379
154 HD2 LYS 18 2HD LYS 18 -14.268 -15.410 2.473
155 HD3 LYS 18 1HD LYS 18 -15.291 -14.132 1.808
156 HE2 LYS 18 2HE LYS 18 -13.826 -16.218 0.150
157 HE3 LYS 18 1HE LYS 18 -15.530 -16.287 0.607
158 HZ1 LYS 18 3HZ LYS 18 -14.270 -14.166 -1.048
159 HZ2 LYS 18 1HZ LYS 18 -15.897 -14.218 -0.588
160 HZ3 LYS 18 2HZ LYS 18 -15.271 -15.405 -1.609
161 H GLY 19 H GLY 19 -15.021 -9.464 3.295
162 HA2 GLY 19 2HA GLY 19 -15.227 -8.078 5.106
163 HA3 GLY 19 1HA GLY 19 -15.141 -9.511 6.116
164 H ARG 20 H ARG 20 -12.561 -8.723 3.933
165 HA ARG 20 HA ARG 20 -10.802 -7.767 6.099
166 HE ARG 20 HE ARG 20 -11.414 -12.629 5.562
167 HB2 ARG 20 2HB ARG 20 -10.336 -10.145 4.254
168 HB3 ARG 20 1HB ARG 20 -8.998 -9.305 5.035
169 HG2 ARG 20 2HG ARG 20 -9.789 -9.900 7.234
170 HG3 ARG 20 1HG ARG 20 -11.305 -10.531 6.585
171 HD2 ARG 20 2HD ARG 20 -8.624 -11.720 5.821
172 HD3 ARG 20 1HD ARG 20 -9.488 -12.222 7.275
173 HH11 ARG 20 1HH1 ARG 20 -8.036 -13.190 4.845
174 HH12 ARG 20 2HH1 ARG 20 -8.344 -14.653 3.972
175 HH21 ARG 20 1HH2 ARG 20 -11.800 -14.538 4.426
176 HH22 ARG 20 2HH2 ARG 20 -10.478 -15.422 3.737
177 H VAL 21 H VAL 21 -9.852 -5.949 5.506
178 HA VAL 21 HA VAL 21 -9.900 -5.055 2.735
179 HB VAL 21 HB VAL 21 -10.662 -3.566 4.596
180 HG11 VAL 21 1HG1 VAL 21 -7.735 -3.442 5.413
181 HG12 VAL 21 2HG1 VAL 21 -9.045 -4.171 6.344
182 HG13 VAL 21 3HG1 VAL 21 -9.029 -2.429 6.061
183 HG21 VAL 21 3HG2 VAL 21 -10.005 -2.602 2.445
184 HG22 VAL 21 1HG2 VAL 21 -8.323 -2.498 2.980
185 HG23 VAL 21 2HG2 VAL 21 -9.561 -1.513 3.763
186 H GLU 22 H GLU 22 -8.099 -4.568 1.502
187 HA GLU 22 HA GLU 22 -5.397 -5.016 2.554
188 HB2 GLU 22 2HB GLU 22 -4.840 -6.457 0.540
189 HB3 GLU 22 1HB GLU 22 -5.910 -7.222 1.711
190 HG2 GLU 22 2HG GLU 22 -7.844 -6.801 0.312
191 HG3 GLU 22 1HG GLU 22 -6.863 -5.875 -0.828
192 H TYR 23 H TYR 23 -3.761 -4.134 1.209
193 HA TYR 23 HA TYR 23 -4.625 -1.947 -0.587
194 HD1 TYR 23 2HD TYR 23 -5.980 -0.358 0.509
195 HD2 TYR 23 1HD TYR 23 -3.566 -1.401 3.872
196 HE1 TYR 23 2HE TYR 23 -7.777 0.280 2.034
197 HE2 TYR 23 1HE TYR 23 -5.388 -0.770 5.389
198 HH TYR 23 HH TYR 23 -7.367 0.717 5.345
199 HB2 TYR 23 2HB TYR 23 -2.652 -1.655 1.732
200 HB3 TYR 23 1HB TYR 23 -3.166 -0.381 0.628
201 H LEU 24 H LEU 24 -3.290 -1.696 -2.318
202 HA LEU 24 HA LEU 24 -0.964 -3.441 -2.633
203 HG LEU 24 HG LEU 24 0.141 -2.117 -5.246
204 HB2 LEU 24 2HB LEU 24 -2.643 -3.065 -4.475
205 HB3 LEU 24 1HB LEU 24 -2.135 -1.387 -4.560
206 HD11 LEU 24 1HD1 LEU 24 0.240 -4.292 -4.145
207 HD12 LEU 24 2HD1 LEU 24 0.589 -4.447 -5.863
208 HD13 LEU 24 3HD1 LEU 24 -0.991 -4.929 -5.240
209 HD21 LEU 24 3HD2 LEU 24 -2.061 -3.253 -6.993
210 HD22 LEU 24 1HD2 LEU 24 -0.418 -2.859 -7.512
211 HD23 LEU 24 2HD2 LEU 24 -1.501 -1.577 -6.975
212 H VAL 25 H VAL 25 0.870 -2.720 -1.666
213 HA VAL 25 HA VAL 25 1.277 0.156 -1.246
214 HB VAL 25 HB VAL 25 3.007 -0.498 0.371
215 HG11 VAL 25 1HG1 VAL 25 0.678 -0.291 1.134
216 HG12 VAL 25 2HG1 VAL 25 1.529 -1.530 2.057
217 HG13 VAL 25 3HG1 VAL 25 0.397 -2.003 0.787
218 HG21 VAL 25 3HG2 VAL 25 3.391 -2.859 1.001
219 HG22 VAL 25 1HG2 VAL 25 3.863 -2.552 -0.671
220 HG23 VAL 25 2HG2 VAL 25 2.347 -3.385 -0.323
221 H LYS 26 H LYS 26 2.483 1.259 -2.600
222 HA LYS 26 HA LYS 26 4.399 0.155 -4.423
223 HB2 LYS 26 2HB LYS 26 3.132 2.249 -4.893
224 HB3 LYS 26 1HB LYS 26 3.928 3.039 -3.541
225 HG2 LYS 26 2HG LYS 26 4.909 3.711 -5.686
226 HG3 LYS 26 1HG LYS 26 6.089 2.873 -4.670
227 HD2 LYS 26 2HD LYS 26 5.731 0.787 -5.979
228 HD3 LYS 26 1HD LYS 26 4.549 1.623 -6.994
229 HE2 LYS 26 2HE LYS 26 6.734 1.462 -8.113
230 HE3 LYS 26 1HE LYS 26 6.313 3.146 -7.801
231 HZ1 LYS 26 3HZ LYS 26 8.161 1.503 -6.150
232 HZ2 LYS 26 1HZ LYS 26 7.780 3.124 -5.900
233 HZ3 LYS 26 2HZ LYS 26 8.626 2.671 -7.283
234 H TRP 27 H TRP 27 6.203 -0.756 -3.523
235 HA TRP 27 HA TRP 27 7.594 0.338 -1.230
236 HD1 TRP 27 HD TRP 27 6.313 -3.391 -3.170
237 HE1 TRP 27 1HE TRP 27 5.188 -4.780 -1.325
238 HE3 TRP 27 3HE TRP 27 8.639 -1.396 0.885
239 HZ2 TRP 27 2HZ TRP 27 5.270 -5.003 1.492
240 HZ3 TRP 27 3HZ TRP 27 8.082 -2.230 3.116
241 HH2 TRP 27 HH TRP 27 6.431 -3.993 3.419
242 HB2 TRP 27 2HB TRP 27 8.449 -1.837 -3.200
243 HB3 TRP 27 1HB TRP 27 9.228 -1.487 -1.663
244 H ARG 28 H ARG 28 9.521 1.511 -1.277
245 HA ARG 28 HA ARG 28 10.313 2.865 -3.697
246 HE ARG 28 HE ARG 28 13.656 4.543 -1.396
247 HB2 ARG 28 2HB ARG 28 12.034 3.971 -2.331
248 HB3 ARG 28 1HB ARG 28 10.472 4.043 -1.528
249 HG2 ARG 28 2HG ARG 28 11.135 2.332 0.060
250 HG3 ARG 28 1HG ARG 28 12.631 2.024 -0.823
251 HD2 ARG 28 2HD ARG 28 11.933 4.638 0.575
252 HD3 ARG 28 1HD ARG 28 13.003 3.381 1.219
253 HH11 ARG 28 1HH1 ARG 28 14.459 4.405 2.025
254 HH12 ARG 28 2HH1 ARG 28 16.031 5.091 1.786
255 HH21 ARG 28 1HH2 ARG 28 15.714 5.463 -1.656
256 HH22 ARG 28 2HH2 ARG 28 16.739 5.685 -0.266
257 H GLY 29 H GLY 29 12.159 2.491 -4.931
258 HA2 GLY 29 2HA GLY 29 14.083 1.378 -5.671
259 HA3 GLY 29 1HA GLY 29 13.953 0.244 -4.337
260 H TRP 30 H TRP 30 11.257 -0.453 -4.706
261 HA TRP 30 HA TRP 30 11.425 -2.340 -6.920
262 HD1 TRP 30 HD TRP 30 11.226 -1.911 -2.711
263 HE1 TRP 30 1HE TRP 30 12.735 -3.733 -1.704
264 HE3 TRP 30 3HE TRP 30 10.753 -5.445 -6.368
265 HZ2 TRP 30 2HZ TRP 30 13.606 -6.338 -2.376
266 HZ3 TRP 30 3HZ TRP 30 11.951 -7.561 -6.128
267 HH2 TRP 30 HH TRP 30 13.354 -8.013 -4.165
268 HB2 TRP 30 2HB TRP 30 9.336 -2.031 -4.709
269 HB3 TRP 30 1HB TRP 30 9.460 -3.379 -5.830
270 H SER 31 H SER 31 10.065 -2.301 -8.711
271 HA SER 31 HA SER 31 8.836 0.223 -9.412
272 HG SER 31 HG SER 31 10.722 -0.295 -10.868
273 HB2 SER 31 2HB SER 31 8.835 -2.423 -10.936
274 HB3 SER 31 1HB SER 31 8.522 -0.825 -11.614
275 HA PRO 32 HA PRO 32 4.528 -0.797 -8.402
276 HB2 PRO 32 2HB PRO 32 3.008 0.167 -10.432
277 HB3 PRO 32 1HB PRO 32 3.919 1.242 -9.358
278 HG2 PRO 32 2HG PRO 32 4.664 0.233 -12.110
279 HG3 PRO 32 1HG PRO 32 4.734 1.895 -11.482
280 HD2 PRO 32 2HD PRO 32 6.928 0.278 -11.598
281 HD3 PRO 32 1HD PRO 32 6.731 1.503 -10.324
282 H LYS 33 H LYS 33 6.056 -2.453 -10.862
283 HA LYS 33 HA LYS 33 3.932 -4.485 -11.093
284 HB2 LYS 33 2HB LYS 33 5.553 -5.566 -12.730
285 HB3 LYS 33 1HB LYS 33 4.911 -3.997 -13.210
286 HG2 LYS 33 2HG LYS 33 7.032 -2.925 -12.492
287 HG3 LYS 33 1HG LYS 33 7.673 -4.512 -12.054
288 HD2 LYS 33 2HD LYS 33 8.496 -3.757 -14.267
289 HD3 LYS 33 1HD LYS 33 7.553 -5.244 -14.392
290 HE2 LYS 33 2HE LYS 33 5.586 -3.916 -15.154
291 HE3 LYS 33 1HE LYS 33 6.546 -2.437 -15.039
292 HZ1 LYS 33 3HZ LYS 33 7.134 -4.739 -16.811
293 HZ2 LYS 33 1HZ LYS 33 8.013 -3.297 -16.727
294 HZ3 LYS 33 2HZ LYS 33 6.425 -3.283 -17.292
295 H TYR 34 H TYR 34 6.330 -3.696 -8.960
296 HA TYR 34 HA TYR 34 6.767 -6.491 -8.052
297 HD1 TYR 34 2HD TYR 34 9.167 -7.742 -8.500
298 HD2 TYR 34 1HD TYR 34 9.452 -3.779 -10.018
299 HE1 TYR 34 2HE TYR 34 10.359 -8.587 -10.470
300 HE2 TYR 34 1HE TYR 34 10.639 -4.608 -12.005
301 HH TYR 34 HH TYR 34 10.773 -7.891 -12.823
302 HB2 TYR 34 2HB TYR 34 8.659 -4.099 -7.805
303 HB3 TYR 34 1HB TYR 34 8.912 -5.653 -7.013
304 H ASN 35 H ASN 35 4.833 -4.074 -7.445
305 HA ASN 35 HA ASN 35 5.245 -3.630 -4.594
306 HB2 ASN 35 2HB ASN 35 3.290 -2.118 -4.802
307 HB3 ASN 35 1HB ASN 35 4.522 -1.748 -5.996
308 HD21 ASN 35 1HD2 ASN 35 2.050 -0.749 -6.315
309 HD22 ASN 35 2HD2 ASN 35 1.259 -1.514 -7.646
310 H THR 36 H THR 36 3.860 -4.454 -2.926
311 HA THR 36 HA THR 36 2.479 -6.976 -3.705
312 HB THR 36 HB THR 36 3.112 -7.901 -1.514
313 HG1 THR 36 1HG THR 36 3.305 -6.348 -0.055
314 HG21 THR 36 3HG2 THR 36 5.565 -8.014 -1.765
315 HG22 THR 36 1HG2 THR 36 5.526 -6.629 -2.856
316 HG23 THR 36 2HG2 THR 36 4.775 -8.153 -3.340
317 H TRP 37 H TRP 37 0.653 -7.673 -2.422
318 HA TRP 37 HA TRP 37 -1.074 -5.521 -1.461
319 HD1 TRP 37 HD TRP 37 -1.264 -8.418 -4.578
320 HE1 TRP 37 1HE TRP 37 -2.507 -7.138 -6.431
321 HE3 TRP 37 3HE TRP 37 -3.970 -5.179 -1.678
322 HZ2 TRP 37 2HZ TRP 37 -4.351 -5.018 -6.645
323 HZ3 TRP 37 3HZ TRP 37 -5.434 -3.546 -2.785
324 HH2 TRP 37 HH TRP 37 -5.625 -3.473 -5.223
325 HB2 TRP 37 2HB TRP 37 -1.540 -8.505 -1.915
326 HB3 TRP 37 1HB TRP 37 -2.757 -7.446 -1.210
327 H GLU 38 H GLU 38 -0.531 -4.849 0.520
328 HA GLU 38 HA GLU 38 -0.122 -6.779 2.715
329 HB2 GLU 38 2HB GLU 38 0.439 -3.783 2.676
330 HB3 GLU 38 1HB GLU 38 0.831 -4.898 3.981
331 HG2 GLU 38 2HG GLU 38 2.054 -4.866 1.206
332 HG3 GLU 38 1HG GLU 38 2.810 -4.293 2.685
333 HA PRO 39 HA PRO 39 -4.283 -5.631 4.160
334 HB2 PRO 39 2HB PRO 39 -4.121 -6.822 6.650
335 HB3 PRO 39 1HB PRO 39 -4.453 -7.708 5.159
336 HG2 PRO 39 2HG PRO 39 -1.842 -7.378 6.626
337 HG3 PRO 39 1HG PRO 39 -2.542 -8.846 5.907
338 HD2 PRO 39 2HD PRO 39 -0.605 -7.426 4.646
339 HD3 PRO 39 1HD PRO 39 -1.901 -8.248 3.745
340 H GLU 40 H GLU 40 -5.164 -4.666 6.297
341 HA GLU 40 HA GLU 40 -4.030 -2.079 6.588
342 HB2 GLU 40 2HB GLU 40 -6.457 -2.546 6.743
343 HB3 GLU 40 1HB GLU 40 -6.200 -3.459 8.221
344 HG2 GLU 40 2HG GLU 40 -5.465 -1.380 9.367
345 HG3 GLU 40 1HG GLU 40 -5.740 -0.475 7.878
346 H GLU 41 H GLU 41 -3.785 -5.000 8.494
347 HA GLU 41 HA GLU 41 -2.673 -3.980 10.900
348 HB2 GLU 41 2HB GLU 41 -1.979 -6.355 11.301
349 HB3 GLU 41 1HB GLU 41 -3.668 -6.208 10.827
350 HG2 GLU 41 2HG GLU 41 -3.035 -6.846 8.497
351 HG3 GLU 41 1HG GLU 41 -1.371 -7.071 9.035
352 H ASN 42 H ASN 42 -1.269 -4.729 7.761
353 HA ASN 42 HA ASN 42 1.504 -4.457 8.659
354 HB2 ASN 42 2HB ASN 42 0.303 -4.848 5.885
355 HB3 ASN 42 1HB ASN 42 2.034 -4.703 6.189
356 HD21 ASN 42 1HD2 ASN 42 2.354 -6.768 5.320
357 HD22 ASN 42 2HD2 ASN 42 1.943 -8.209 6.175
358 H ILE 43 H ILE 43 -1.017 -2.408 7.583
359 HA ILE 43 HA ILE 43 0.726 -0.177 6.817
360 HB ILE 43 HB ILE 43 -2.324 -0.269 7.017
361 HG12 ILE 43 2HG1 ILE 43 -1.584 -1.833 5.300
362 HG13 ILE 43 1HG1 ILE 43 -2.273 -0.419 4.522
363 HG21 ILE 43 1HG2 ILE 43 -2.287 1.801 5.650
364 HG22 ILE 43 2HG2 ILE 43 -0.524 1.822 5.725
365 HG23 ILE 43 3HG2 ILE 43 -1.472 2.029 7.198
366 HD11 ILE 43 3HD1 ILE 43 -0.325 -1.214 3.349
367 HD12 ILE 43 1HD1 ILE 43 0.665 -1.025 4.796
368 HD13 ILE 43 2HD1 ILE 43 -0.028 0.394 4.005
369 H LEU 44 H LEU 44 1.788 0.050 8.781
370 HA LEU 44 HA LEU 44 0.236 0.989 11.127
371 HG LEU 44 HG LEU 44 2.257 1.117 13.274
372 HB2 LEU 44 2HB LEU 44 1.818 -1.096 11.226
373 HB3 LEU 44 1HB LEU 44 3.137 0.061 11.159
374 HD11 LEU 44 1HD1 LEU 44 -0.095 0.487 13.092
375 HD12 LEU 44 2HD1 LEU 44 0.575 -0.087 14.617
376 HD13 LEU 44 3HD1 LEU 44 0.319 -1.221 13.288
377 HD21 LEU 44 3HD2 LEU 44 3.040 -0.653 14.793
378 HD22 LEU 44 1HD2 LEU 44 4.080 -0.518 13.374
379 HD23 LEU 44 2HD2 LEU 44 2.917 -1.840 13.491
380 H ASP 45 H ASP 45 1.133 2.479 8.655
381 HA ASP 45 HA ASP 45 2.784 4.610 9.877
382 HB2 ASP 45 2HB ASP 45 4.015 3.411 8.113
383 HB3 ASP 45 1HB ASP 45 2.701 3.665 6.975
384 HA PRO 46 HA PRO 46 -1.012 6.975 9.287
385 HB2 PRO 46 2HB PRO 46 -0.118 9.451 9.990
386 HB3 PRO 46 1HB PRO 46 -0.325 8.154 11.179
387 HG2 PRO 46 2HG PRO 46 2.198 9.036 9.755
388 HG3 PRO 46 1HG PRO 46 1.956 8.739 11.491
389 HD2 PRO 46 2HD PRO 46 3.081 6.879 9.867
390 HD3 PRO 46 1HD PRO 46 2.033 6.408 11.229
391 H ARG 47 H ARG 47 1.952 7.754 7.540
392 HA ARG 47 HA ARG 47 0.911 9.927 5.960
393 HE ARG 47 HE ARG 47 3.898 11.752 5.099
394 HB2 ARG 47 2HB ARG 47 3.363 8.192 5.458
395 HB3 ARG 47 1HB ARG 47 3.038 9.766 4.734
396 HG2 ARG 47 2HG ARG 47 3.499 9.266 7.701
397 HG3 ARG 47 1HG ARG 47 4.728 9.836 6.563
398 HD2 ARG 47 2HD ARG 47 2.161 11.285 7.315
399 HD3 ARG 47 1HD ARG 47 3.791 11.708 7.851
400 HH11 ARG 47 1HH1 ARG 47 2.030 13.504 7.517
401 HH12 ARG 47 2HH1 ARG 47 1.828 14.900 6.505
402 HH21 ARG 47 1HH2 ARG 47 3.630 13.593 3.814
403 HH22 ARG 47 2HH2 ARG 47 2.728 14.948 4.415
404 H LEU 48 H LEU 48 1.176 6.441 5.599
405 HA LEU 48 HA LEU 48 0.440 6.159 2.876
406 HG LEU 48 HG LEU 48 2.202 4.522 5.154
407 HB2 LEU 48 2HB LEU 48 -0.210 4.283 5.182
408 HB3 LEU 48 1HB LEU 48 -0.239 3.866 3.469
409 HD11 LEU 48 1HD1 LEU 48 1.284 2.298 5.552
410 HD12 LEU 48 2HD1 LEU 48 2.846 2.211 4.748
411 HD13 LEU 48 3HD1 LEU 48 1.369 1.928 3.825
412 HD21 LEU 48 3HD2 LEU 48 2.537 5.470 2.941
413 HD22 LEU 48 1HD2 LEU 48 2.084 3.943 2.175
414 HD23 LEU 48 2HD2 LEU 48 3.554 4.049 3.148
415 H LEU 49 H LEU 49 -1.418 6.455 5.866
416 HA LEU 49 HA LEU 49 -4.007 5.899 4.817
417 HG LEU 49 HG LEU 49 -2.328 5.172 7.485
418 HB2 LEU 49 2HB LEU 49 -3.231 7.464 7.311
419 HB3 LEU 49 1HB LEU 49 -4.838 6.828 6.965
420 HD11 LEU 49 1HD1 LEU 49 -3.169 6.234 9.508
421 HD12 LEU 49 2HD1 LEU 49 -3.441 4.495 9.562
422 HD13 LEU 49 3HD1 LEU 49 -4.787 5.585 9.214
423 HD21 LEU 49 3HD2 LEU 49 -3.822 3.203 7.441
424 HD22 LEU 49 1HD2 LEU 49 -3.764 4.023 5.880
425 HD23 LEU 49 2HD2 LEU 49 -5.167 4.228 6.932
426 H ILE 50 H ILE 50 -2.120 8.876 5.209
427 HA ILE 50 HA ILE 50 -4.147 10.740 4.488
428 HB ILE 50 HB ILE 50 -1.133 10.971 4.051
429 HG12 ILE 50 2HG1 ILE 50 -2.791 11.921 6.435
430 HG13 ILE 50 1HG1 ILE 50 -1.772 10.486 6.433
431 HG21 ILE 50 1HG2 ILE 50 -2.367 12.661 2.746
432 HG22 ILE 50 2HG2 ILE 50 -1.486 13.421 4.070
433 HG23 ILE 50 3HG2 ILE 50 -3.228 13.179 4.201
434 HD11 ILE 50 3HD1 ILE 50 -0.686 12.335 7.549
435 HD12 ILE 50 1HD1 ILE 50 -0.822 13.331 6.099
436 HD13 ILE 50 2HD1 ILE 50 0.204 11.893 6.093
437 H ALA 51 H ALA 51 -1.616 9.091 2.581
438 HA ALA 51 HA ALA 51 -2.273 10.155 0.030
439 HB1 ALA 51 1HB ALA 51 -0.844 7.556 0.704
440 HB2 ALA 51 2HB ALA 51 -0.081 9.136 0.533
441 HB3 ALA 51 3HB ALA 51 -0.826 8.369 -0.869
442 H PHE 52 H PHE 52 -3.434 7.419 1.839
443 HA PHE 52 HA PHE 52 -4.848 5.978 -0.146
444 HD1 PHE 52 1HD PHE 52 -6.023 3.815 0.094
445 HD2 PHE 52 2HD PHE 52 -6.816 5.270 4.038
446 HE1 PHE 52 1HE PHE 52 -7.971 2.346 0.257
447 HE2 PHE 52 2HE PHE 52 -8.768 3.786 4.188
448 HZ PHE 52 HZ PHE 52 -9.343 2.324 2.297
449 HB2 PHE 52 2HB PHE 52 -4.193 4.904 1.909
450 HB3 PHE 52 1HB PHE 52 -4.997 6.121 2.885
451 H GLN 53 H GLN 53 -5.912 8.337 2.327
452 HA GLN 53 HA GLN 53 -8.659 8.414 1.579
453 HB2 GLN 53 2HB GLN 53 -6.968 10.397 3.156
454 HB3 GLN 53 1HB GLN 53 -8.719 10.531 2.971
455 HG2 GLN 53 2HG GLN 53 -9.045 8.412 4.123
456 HG3 GLN 53 1HG GLN 53 -7.302 8.166 4.235
457 HE21 GLN 53 1HE2 GLN 53 -7.320 8.065 6.474
458 HE22 GLN 53 2HE2 GLN 53 -7.608 9.439 7.478
459 H ASN 54 H ASN 54 -5.827 10.279 0.588
460 HA ASN 54 HA ASN 54 -7.162 12.220 -1.030
461 HB2 ASN 54 2HB ASN 54 -4.293 11.185 -1.144
462 HB3 ASN 54 1HB ASN 54 -4.886 12.529 -2.121
463 HD21 ASN 54 1HD2 ASN 54 -2.793 12.443 -0.054
464 HD22 ASN 54 2HD2 ASN 54 -3.242 13.628 1.116
465 H ARG 55 H ARG 55 -5.897 8.961 -1.644
466 HA ARG 55 HA ARG 55 -6.099 8.975 -4.487
467 HE ARG 55 HE ARG 55 -5.044 4.795 -6.839
468 HB2 ARG 55 2HB ARG 55 -4.787 7.340 -2.862
469 HB3 ARG 55 1HB ARG 55 -6.281 6.423 -2.832
470 HG2 ARG 55 2HG ARG 55 -4.705 7.082 -5.355
471 HG3 ARG 55 1HG ARG 55 -4.550 5.574 -4.452
472 HD2 ARG 55 2HD ARG 55 -6.856 4.983 -4.971
473 HD3 ARG 55 1HD ARG 55 -7.127 6.551 -5.737
474 HH11 ARG 55 1HH1 ARG 55 -8.233 6.235 -7.251
475 HH12 ARG 55 2HH1 ARG 55 -8.341 5.792 -8.921
476 HH21 ARG 55 1HH2 ARG 55 -5.219 4.234 -9.021
477 HH22 ARG 55 2HH2 ARG 55 -6.635 4.661 -9.923
478 H GLU 56 H GLU 56 -8.256 7.863 -1.870
479 HA GLU 56 HA GLU 56 -10.370 6.953 -3.593
480 HB2 GLU 56 2HB GLU 56 -10.432 7.620 -0.615
481 HB3 GLU 56 1HB GLU 56 -11.722 6.800 -1.500
482 HG2 GLU 56 2HG GLU 56 -10.008 5.007 -2.071
483 HG3 GLU 56 1HG GLU 56 -8.936 5.776 -0.900
484 H ARG 57 H ARG 57 -9.558 10.017 -2.053
485 HA ARG 57 HA ARG 57 -11.993 11.394 -2.574
486 HE ARG 57 HE ARG 57 -10.577 16.790 -2.879
487 HB2 ARG 57 2HB ARG 57 -10.343 12.192 -0.916
488 HB3 ARG 57 1HB ARG 57 -9.159 12.468 -2.182
489 HG2 ARG 57 2HG ARG 57 -11.790 13.947 -2.297
490 HG3 ARG 57 1HG ARG 57 -10.577 14.470 -1.130
491 HD2 ARG 57 2HD ARG 57 -9.017 15.017 -2.861
492 HD3 ARG 57 1HD ARG 57 -9.961 14.174 -4.090
493 HH11 ARG 57 1HH1 ARG 57 -11.358 14.361 -5.303
494 HH12 ARG 57 2HH1 ARG 57 -12.472 15.392 -6.147
495 HH21 ARG 57 1HH2 ARG 57 -12.051 18.114 -4.010
496 HH22 ARG 57 2HH2 ARG 57 -12.857 17.500 -5.417
497 H GLN 58 H GLN 58 -9.127 10.691 -4.507
498 HA GLN 58 HA GLN 58 -9.582 12.447 -6.672
499 HB2 GLN 58 2HB GLN 58 -8.167 9.756 -6.558
500 HB3 GLN 58 1HB GLN 58 -8.219 10.737 -8.017
501 HG2 GLN 58 2HG GLN 58 -7.086 11.744 -5.395
502 HG3 GLN 58 1HG GLN 58 -6.116 10.927 -6.617
503 HE21 GLN 58 1HE2 GLN 58 -4.832 12.826 -6.746
504 HE22 GLN 58 2HE2 GLN 58 -5.365 14.225 -7.607
505 H GLU 59 H GLU 59 -10.980 12.445 -8.243
506 HA GLU 59 HA GLU 59 -13.151 10.496 -8.346
507 HB2 GLU 59 2HB GLU 59 -12.746 13.188 -9.723
508 HB3 GLU 59 1HB GLU 59 -14.237 12.247 -9.737
509 HG2 GLU 59 2HG GLU 59 -14.583 12.588 -7.386
510 HG3 GLU 59 1HG GLU 59 -12.966 13.263 -7.177
511 H GLN 60 H GLN 60 -10.376 9.997 -9.472
512 HA GLN 60 HA GLN 60 -11.121 8.985 -12.082
513 HB2 GLN 60 2HB GLN 60 -8.981 9.997 -13.101
514 HB3 GLN 60 1HB GLN 60 -10.329 11.087 -12.835
515 HG2 GLN 60 2HG GLN 60 -8.432 12.331 -12.197
516 HG3 GLN 60 1HG GLN 60 -9.160 11.821 -10.680
517 HE21 GLN 60 1HE2 GLN 60 -7.197 12.181 -9.608
518 HE22 GLN 60 2HE2 GLN 60 -5.847 11.113 -9.754
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 21.975 1.396 4.944
2 H2 GLY 1 2HT GLY 1 20.615 0.392 4.904
3 H3 GLY 1 3HT GLY 1 20.449 2.022 5.310
4 HA2 GLY 1 1HA GLY 1 19.705 1.663 3.065
5 HA3 GLY 1 2HA GLY 1 21.132 2.687 3.110
6 H SER 2 H SER 2 19.886 0.602 1.167
7 HA SER 2 HA SER 2 22.349 -0.235 -0.034
8 HG SER 2 HG SER 2 20.043 -2.624 1.973
9 HB2 SER 2 2HB SER 2 21.992 -2.666 0.040
10 HB3 SER 2 1HB SER 2 22.044 -2.051 1.692
11 H GLU 3 H GLU 3 21.841 -1.547 -2.079
12 HA GLU 3 HA GLU 3 19.666 -0.315 -3.542
13 HB2 GLU 3 2HB GLU 3 21.613 -2.498 -4.393
14 HB3 GLU 3 1HB GLU 3 20.561 -1.586 -5.467
15 HG2 GLU 3 2HG GLU 3 22.857 -0.448 -3.848
16 HG3 GLU 3 1HG GLU 3 22.900 -0.812 -5.567
17 H HIS 4 H HIS 4 19.411 -2.661 -1.341
18 HA HIS 4 HA HIS 4 17.375 -4.249 -2.799
19 HD1 HIS 4 1HD HIS 4 21.557 -5.452 -2.218
20 HD2 HIS 4 2HD HIS 4 18.119 -6.633 -4.241
21 HE1 HIS 4 1HE HIS 4 22.353 -6.374 -4.424
22 HE2 HIS 4 2HE HIS 4 20.271 -7.251 -5.537
23 HB2 HIS 4 2HB HIS 4 19.493 -5.195 -0.807
24 HB3 HIS 4 1HB HIS 4 18.119 -6.176 -1.309
25 H VAL 5 H VAL 5 17.434 -1.843 -0.735
26 HA VAL 5 HA VAL 5 16.131 -2.920 1.600
27 HB VAL 5 HB VAL 5 15.604 -0.537 2.207
28 HG11 VAL 5 1HG1 VAL 5 18.503 -1.027 1.432
29 HG12 VAL 5 2HG1 VAL 5 17.726 -1.573 2.921
30 HG13 VAL 5 3HG1 VAL 5 17.933 0.152 2.616
31 HG21 VAL 5 3HG2 VAL 5 15.341 0.456 -0.045
32 HG22 VAL 5 1HG2 VAL 5 17.055 0.183 -0.379
33 HG23 VAL 5 2HG2 VAL 5 16.569 1.330 0.872
34 H PHE 6 H PHE 6 14.076 -3.582 1.734
35 HA PHE 6 HA PHE 6 12.028 -2.734 -0.163
36 HD1 PHE 6 2HD PHE 6 13.867 -5.903 1.306
37 HD2 PHE 6 1HD PHE 6 10.293 -5.335 -0.985
38 HE1 PHE 6 2HE PHE 6 14.540 -7.725 -0.203
39 HE2 PHE 6 1HE PHE 6 10.980 -7.163 -2.491
40 HZ PHE 6 HZ PHE 6 13.099 -8.361 -2.100
41 HB2 PHE 6 2HB PHE 6 11.896 -4.627 2.225
42 HB3 PHE 6 1HB PHE 6 10.530 -4.266 1.178
43 H ALA 7 H ALA 7 11.896 -0.539 0.297
44 HA ALA 7 HA ALA 7 10.822 0.303 2.931
45 HB1 ALA 7 1HB ALA 7 11.680 2.567 2.345
46 HB2 ALA 7 2HB ALA 7 12.305 1.938 0.816
47 HB3 ALA 7 3HB ALA 7 12.977 1.370 2.346
48 H VAL 8 H VAL 8 8.757 1.084 2.935
49 HA VAL 8 HA VAL 8 7.229 0.871 0.475
50 HB VAL 8 HB VAL 8 6.353 -0.074 2.578
51 HG11 VAL 8 1HG1 VAL 8 5.441 1.348 4.377
52 HG12 VAL 8 2HG1 VAL 8 6.075 2.782 3.569
53 HG13 VAL 8 3HG1 VAL 8 7.187 1.568 4.204
54 HG21 VAL 8 3HG2 VAL 8 4.587 2.128 1.449
55 HG22 VAL 8 1HG2 VAL 8 4.017 0.750 2.393
56 HG23 VAL 8 2HG2 VAL 8 4.750 0.493 0.805
57 H GLU 9 H GLU 9 5.968 2.497 -0.435
58 HA GLU 9 HA GLU 9 7.013 5.231 -0.207
59 HB2 GLU 9 2HB GLU 9 7.254 4.127 -2.413
60 HB3 GLU 9 1HB GLU 9 5.526 3.827 -2.464
61 HG2 GLU 9 2HG GLU 9 5.991 5.661 -3.917
62 HG3 GLU 9 1HG GLU 9 5.150 6.306 -2.510
63 H SER 10 H SER 10 3.939 3.558 -0.994
64 HA SER 10 HA SER 10 2.255 5.177 0.632
65 HG SER 10 HG SER 10 0.286 6.186 -1.744
66 HB2 SER 10 2HB SER 10 2.912 6.896 -1.043
67 HB3 SER 10 1HB SER 10 2.352 5.852 -2.349
68 H ILE 11 H ILE 11 0.008 4.617 0.413
69 HA ILE 11 HA ILE 11 -0.662 2.103 -0.857
70 HB ILE 11 HB ILE 11 -2.416 4.206 0.503
71 HG12 ILE 11 2HG1 ILE 11 -1.530 1.460 1.498
72 HG13 ILE 11 1HG1 ILE 11 -0.795 2.980 1.993
73 HG21 ILE 11 1HG2 ILE 11 -3.244 1.439 -0.468
74 HG22 ILE 11 2HG2 ILE 11 -3.783 2.978 -1.145
75 HG23 ILE 11 3HG2 ILE 11 -4.245 2.528 0.496
76 HD11 ILE 11 3HD1 ILE 11 -2.885 3.666 3.040
77 HD12 ILE 11 1HD1 ILE 11 -2.334 2.111 3.663
78 HD13 ILE 11 2HD1 ILE 11 -3.659 2.169 2.504
79 H GLU 12 H GLU 12 -1.368 1.873 -2.894
80 HA GLU 12 HA GLU 12 -1.795 4.274 -4.558
81 HB2 GLU 12 2HB GLU 12 -1.288 1.392 -5.419
82 HB3 GLU 12 1HB GLU 12 -1.407 2.788 -6.489
83 HG2 GLU 12 2HG GLU 12 0.602 3.739 -5.204
84 HG3 GLU 12 1HG GLU 12 0.786 2.128 -4.513
85 H LYS 13 H LYS 13 -3.098 1.040 -3.953
86 HA LYS 13 HA LYS 13 -5.813 1.865 -4.815
87 HB2 LYS 13 2HB LYS 13 -4.301 -0.659 -5.694
88 HB3 LYS 13 1HB LYS 13 -5.999 -0.326 -6.015
89 HG2 LYS 13 2HG LYS 13 -5.445 1.535 -7.455
90 HG3 LYS 13 1HG LYS 13 -3.743 1.426 -7.002
91 HD2 LYS 13 2HD LYS 13 -4.155 0.478 -9.245
92 HD3 LYS 13 1HD LYS 13 -3.542 -0.746 -8.127
93 HE2 LYS 13 2HE LYS 13 -5.373 -1.628 -9.531
94 HE3 LYS 13 1HE LYS 13 -5.819 -1.628 -7.826
95 HZ1 LYS 13 3HZ LYS 13 -6.631 0.436 -9.805
96 HZ2 LYS 13 1HZ LYS 13 -7.114 0.361 -8.185
97 HZ3 LYS 13 2HZ LYS 13 -7.604 -0.840 -9.268
98 H LYS 14 H LYS 14 -7.439 0.089 -4.122
99 HA LYS 14 HA LYS 14 -6.641 -1.641 -1.945
100 HB2 LYS 14 2HB LYS 14 -7.796 -0.652 -0.141
101 HB3 LYS 14 1HB LYS 14 -6.959 0.682 -0.898
102 HG2 LYS 14 2HG LYS 14 -8.974 1.691 -0.502
103 HG3 LYS 14 1HG LYS 14 -9.321 1.032 -2.101
104 HD2 LYS 14 2HD LYS 14 -10.465 -0.897 -1.080
105 HD3 LYS 14 1HD LYS 14 -10.040 -0.316 0.532
106 HE2 LYS 14 2HE LYS 14 -12.379 0.202 -0.038
107 HE3 LYS 14 1HE LYS 14 -11.430 1.663 0.215
108 HZ1 LYS 14 3HZ LYS 14 -11.261 1.938 -2.179
109 HZ2 LYS 14 1HZ LYS 14 -12.880 1.865 -1.694
110 HZ3 LYS 14 2HZ LYS 14 -12.164 0.527 -2.435
111 H ARG 15 H ARG 15 -8.404 -2.994 -1.138
112 HA ARG 15 HA ARG 15 -10.987 -2.920 -2.491
113 HE ARG 15 HE ARG 15 -6.475 -6.986 -1.442
114 HB2 ARG 15 2HB ARG 15 -10.973 -5.201 -3.305
115 HB3 ARG 15 1HB ARG 15 -9.576 -4.387 -3.988
116 HG2 ARG 15 2HG ARG 15 -9.330 -6.131 -1.514
117 HG3 ARG 15 1HG ARG 15 -9.275 -6.822 -3.135
118 HD2 ARG 15 2HD ARG 15 -7.339 -5.209 -3.595
119 HD3 ARG 15 1HD ARG 15 -7.340 -4.868 -1.862
120 HH11 ARG 15 1HH1 ARG 15 -7.138 -6.654 -4.878
121 HH12 ARG 15 2HH1 ARG 15 -6.261 -8.086 -5.306
122 HH21 ARG 15 1HH2 ARG 15 -5.306 -8.854 -2.037
123 HH22 ARG 15 2HH2 ARG 15 -5.228 -9.317 -3.706
124 H ILE 16 H ILE 16 -12.615 -4.015 -1.326
125 HA ILE 16 HA ILE 16 -11.848 -5.267 1.254
126 HB ILE 16 HB ILE 16 -14.503 -3.983 0.435
127 HG12 ILE 16 2HG1 ILE 16 -12.546 -3.353 2.654
128 HG13 ILE 16 1HG1 ILE 16 -12.734 -2.399 1.183
129 HG21 ILE 16 1HG2 ILE 16 -15.368 -4.621 2.684
130 HG22 ILE 16 2HG2 ILE 16 -13.892 -5.536 2.990
131 HG23 ILE 16 3HG2 ILE 16 -14.992 -6.043 1.707
132 HD11 ILE 16 3HD1 ILE 16 -13.802 -1.307 3.049
133 HD12 ILE 16 1HD1 ILE 16 -14.766 -2.743 3.392
134 HD13 ILE 16 2HD1 ILE 16 -15.034 -1.833 1.902
135 H ARG 17 H ARG 17 -12.080 -7.384 1.361
136 HA ARG 17 HA ARG 17 -14.274 -8.785 0.200
137 HE ARG 17 HE ARG 17 -14.339 -13.434 -1.204
138 HB2 ARG 17 2HB ARG 17 -12.537 -8.558 -1.702
139 HB3 ARG 17 1HB ARG 17 -11.505 -9.646 -0.787
140 HG2 ARG 17 2HG ARG 17 -14.318 -10.477 -1.548
141 HG3 ARG 17 1HG ARG 17 -13.017 -10.571 -2.729
142 HD2 ARG 17 2HD ARG 17 -11.771 -12.117 -1.270
143 HD3 ARG 17 1HD ARG 17 -13.023 -11.978 -0.035
144 HH11 ARG 17 1HH1 ARG 17 -11.731 -12.434 -3.364
145 HH12 ARG 17 2HH1 ARG 17 -12.149 -13.588 -4.589
146 HH21 ARG 17 1HH2 ARG 17 -14.847 -14.943 -2.811
147 HH22 ARG 17 2HH2 ARG 17 -13.922 -14.996 -4.276
148 H LYS 18 H LYS 18 -14.685 -10.668 1.308
149 HA LYS 18 HA LYS 18 -14.667 -12.274 2.897
150 HB2 LYS 18 2HB LYS 18 -12.493 -12.867 1.681
151 HB3 LYS 18 1HB LYS 18 -11.623 -12.010 2.943
152 HG2 LYS 18 2HG LYS 18 -12.462 -13.623 4.624
153 HG3 LYS 18 1HG LYS 18 -13.367 -14.470 3.367
154 HD2 LYS 18 2HD LYS 18 -11.280 -15.662 3.870
155 HD3 LYS 18 1HD LYS 18 -11.230 -15.033 2.221
156 HE2 LYS 18 2HE LYS 18 -9.827 -13.139 2.995
157 HE3 LYS 18 1HE LYS 18 -9.893 -13.762 4.645
158 HZ1 LYS 18 3HZ LYS 18 -7.858 -14.363 3.532
159 HZ2 LYS 18 1HZ LYS 18 -8.715 -15.153 2.312
160 HZ3 LYS 18 2HZ LYS 18 -8.762 -15.749 3.892
161 H GLY 19 H GLY 19 -14.801 -9.427 3.553
162 HA2 GLY 19 2HA GLY 19 -15.261 -8.182 5.423
163 HA3 GLY 19 1HA GLY 19 -14.870 -9.580 6.412
164 H ARG 20 H ARG 20 -12.598 -8.288 4.100
165 HA ARG 20 HA ARG 20 -10.931 -7.057 6.205
166 HE ARG 20 HE ARG 20 -9.400 -12.637 6.990
167 HB2 ARG 20 2HB ARG 20 -9.934 -9.105 4.154
168 HB3 ARG 20 1HB ARG 20 -8.915 -8.192 5.264
169 HG2 ARG 20 2HG ARG 20 -10.041 -9.338 7.191
170 HG3 ARG 20 1HG ARG 20 -10.959 -10.319 6.042
171 HD2 ARG 20 2HD ARG 20 -8.870 -11.289 5.177
172 HD3 ARG 20 1HD ARG 20 -7.921 -10.237 6.229
173 HH11 ARG 20 1HH1 ARG 20 -7.708 -9.806 8.221
174 HH12 ARG 20 2HH1 ARG 20 -7.271 -10.576 9.712
175 HH21 ARG 20 1HH2 ARG 20 -8.840 -13.617 8.948
176 HH22 ARG 20 2HH2 ARG 20 -7.928 -12.733 10.127
177 H VAL 21 H VAL 21 -9.668 -5.320 5.435
178 HA VAL 21 HA VAL 21 -10.039 -4.609 2.575
179 HB VAL 21 HB VAL 21 -11.265 -3.070 4.041
180 HG11 VAL 21 1HG1 VAL 21 -10.160 -1.528 5.604
181 HG12 VAL 21 2HG1 VAL 21 -8.623 -2.352 5.329
182 HG13 VAL 21 3HG1 VAL 21 -9.954 -3.213 6.103
183 HG21 VAL 21 3HG2 VAL 21 -10.387 -2.190 1.943
184 HG22 VAL 21 1HG2 VAL 21 -8.867 -1.763 2.731
185 HG23 VAL 21 2HG2 VAL 21 -10.355 -0.930 3.180
186 H GLU 22 H GLU 22 -8.257 -4.484 1.369
187 HA GLU 22 HA GLU 22 -5.609 -4.618 2.681
188 HB2 GLU 22 2HB GLU 22 -6.453 -6.861 1.972
189 HB3 GLU 22 1HB GLU 22 -6.552 -6.288 0.308
190 HG2 GLU 22 2HG GLU 22 -4.171 -6.096 0.142
191 HG3 GLU 22 1HG GLU 22 -3.968 -6.304 1.881
192 H TYR 23 H TYR 23 -3.848 -3.723 1.536
193 HA TYR 23 HA TYR 23 -4.666 -1.577 -0.340
194 HD1 TYR 23 2HD TYR 23 -6.187 -0.660 0.823
195 HD2 TYR 23 1HD TYR 23 -3.467 -0.410 4.084
196 HE1 TYR 23 2HE TYR 23 -8.012 -0.001 2.313
197 HE2 TYR 23 1HE TYR 23 -5.294 0.240 5.586
198 HH TYR 23 HH TYR 23 -8.562 -0.026 4.703
199 HB2 TYR 23 2HB TYR 23 -2.733 -1.365 2.012
200 HB3 TYR 23 1HB TYR 23 -3.191 -0.057 0.929
201 H LEU 24 H LEU 24 -3.400 -1.369 -2.127
202 HA LEU 24 HA LEU 24 -1.104 -3.010 -2.619
203 HG LEU 24 HG LEU 24 0.136 -1.257 -4.946
204 HB2 LEU 24 2HB LEU 24 -2.680 -2.276 -4.411
205 HB3 LEU 24 1HB LEU 24 -2.174 -0.613 -4.178
206 HD11 LEU 24 1HD1 LEU 24 -1.126 -3.935 -5.586
207 HD12 LEU 24 2HD1 LEU 24 0.111 -3.634 -4.364
208 HD13 LEU 24 3HD1 LEU 24 0.490 -3.413 -6.070
209 HD21 LEU 24 3HD2 LEU 24 -0.401 -1.454 -7.326
210 HD22 LEU 24 1HD2 LEU 24 -1.455 -0.281 -6.535
211 HD23 LEU 24 2HD2 LEU 24 -2.063 -1.892 -6.925
212 H VAL 25 H VAL 25 0.677 -2.586 -1.395
213 HA VAL 25 HA VAL 25 1.577 0.131 -0.861
214 HB VAL 25 HB VAL 25 3.562 -0.978 0.268
215 HG11 VAL 25 1HG1 VAL 25 1.616 -0.285 1.576
216 HG12 VAL 25 2HG1 VAL 25 2.300 -1.770 2.237
217 HG13 VAL 25 3HG1 VAL 25 0.824 -1.837 1.271
218 HG21 VAL 25 3HG2 VAL 25 3.628 -3.131 -0.949
219 HG22 VAL 25 1HG2 VAL 25 2.079 -3.596 -0.240
220 HG23 VAL 25 2HG2 VAL 25 3.502 -3.397 0.790
221 H LYS 26 H LYS 26 2.659 1.215 -2.319
222 HA LYS 26 HA LYS 26 4.153 0.042 -4.465
223 HB2 LYS 26 2HB LYS 26 3.006 2.422 -4.339
224 HB3 LYS 26 1HB LYS 26 4.489 2.923 -3.549
225 HG2 LYS 26 2HG LYS 26 4.314 1.691 -6.320
226 HG3 LYS 26 1HG LYS 26 4.420 3.419 -5.993
227 HD2 LYS 26 2HD LYS 26 6.672 3.200 -5.142
228 HD3 LYS 26 1HD LYS 26 6.560 1.438 -5.137
229 HE2 LYS 26 2HE LYS 26 7.899 2.258 -7.037
230 HE3 LYS 26 1HE LYS 26 6.454 1.405 -7.581
231 HZ1 LYS 26 3HZ LYS 26 6.880 3.448 -8.815
232 HZ2 LYS 26 1HZ LYS 26 6.720 4.356 -7.403
233 HZ3 LYS 26 2HZ LYS 26 5.394 3.503 -8.015
234 H TRP 27 H TRP 27 6.088 -0.931 -4.081
235 HA TRP 27 HA TRP 27 7.679 -0.306 -1.744
236 HD1 TRP 27 HD TRP 27 6.185 -4.150 -3.274
237 HE1 TRP 27 1HE TRP 27 5.465 -5.187 -1.036
238 HE3 TRP 27 3HE TRP 27 9.030 -1.369 -0.089
239 HZ2 TRP 27 2HZ TRP 27 5.996 -4.879 1.701
240 HZ3 TRP 27 3HZ TRP 27 8.864 -1.791 2.320
241 HH2 TRP 27 HH TRP 27 7.392 -3.497 3.201
242 HB2 TRP 27 2HB TRP 27 7.961 -2.325 -4.003
243 HB3 TRP 27 1HB TRP 27 9.238 -2.081 -2.813
244 H ARG 28 H ARG 28 8.609 1.579 -1.782
245 HA ARG 28 HA ARG 28 9.673 3.000 -3.988
246 HE ARG 28 HE ARG 28 12.499 7.033 -1.595
247 HB2 ARG 28 2HB ARG 28 8.912 4.053 -1.877
248 HB3 ARG 28 1HB ARG 28 10.227 3.283 -0.996
249 HG2 ARG 28 2HG ARG 28 11.871 4.607 -2.243
250 HG3 ARG 28 1HG ARG 28 10.590 5.316 -3.229
251 HD2 ARG 28 2HD ARG 28 9.628 6.375 -1.203
252 HD3 ARG 28 1HD ARG 28 10.928 5.678 -0.230
253 HH11 ARG 28 1HH1 ARG 28 9.157 8.113 -1.452
254 HH12 ARG 28 2HH1 ARG 28 9.565 9.778 -1.718
255 HH21 ARG 28 1HH2 ARG 28 13.010 9.183 -1.991
256 HH22 ARG 28 2HH2 ARG 28 11.761 10.381 -2.038
257 H GLY 29 H GLY 29 11.573 2.758 -4.989
258 HA2 GLY 29 2HA GLY 29 13.908 2.281 -5.159
259 HA3 GLY 29 1HA GLY 29 13.777 1.175 -3.799
260 H TRP 30 H TRP 30 11.123 0.334 -5.284
261 HA TRP 30 HA TRP 30 12.359 -1.586 -7.185
262 HD1 TRP 30 HD TRP 30 11.232 -1.650 -3.016
263 HE1 TRP 30 1HE TRP 30 13.071 -2.962 -1.802
264 HE3 TRP 30 3HE TRP 30 12.753 -4.708 -6.847
265 HZ2 TRP 30 2HZ TRP 30 14.916 -4.999 -2.353
266 HZ3 TRP 30 3HZ TRP 30 14.569 -6.316 -6.404
267 HH2 TRP 30 HH TRP 30 15.631 -6.461 -4.200
268 HB2 TRP 30 2HB TRP 30 9.955 -2.040 -5.351
269 HB3 TRP 30 1HB TRP 30 10.643 -3.215 -6.468
270 H SER 31 H SER 31 10.713 -2.454 -8.793
271 HA SER 31 HA SER 31 9.480 -0.212 -10.153
272 HG SER 31 HG SER 31 11.385 -1.033 -11.565
273 HB2 SER 31 2HB SER 31 9.575 -3.147 -10.987
274 HB3 SER 31 1HB SER 31 9.239 -1.771 -12.034
275 HA PRO 32 HA PRO 32 5.020 -0.680 -9.307
276 HB2 PRO 32 2HB PRO 32 4.878 -1.296 -12.273
277 HB3 PRO 32 1HB PRO 32 3.793 -0.299 -11.286
278 HG2 PRO 32 2HG PRO 32 5.671 0.868 -12.769
279 HG3 PRO 32 1HG PRO 32 5.342 1.465 -11.128
280 HD2 PRO 32 2HD PRO 32 7.681 -0.113 -12.133
281 HD3 PRO 32 1HD PRO 32 7.593 1.056 -10.797
282 H LYS 33 H LYS 33 6.520 -3.239 -11.307
283 HA LYS 33 HA LYS 33 4.454 -5.195 -10.725
284 HB2 LYS 33 2HB LYS 33 5.962 -6.798 -11.962
285 HB3 LYS 33 1HB LYS 33 5.474 -5.372 -12.866
286 HG2 LYS 33 2HG LYS 33 7.651 -4.333 -12.502
287 HG3 LYS 33 1HG LYS 33 8.164 -5.694 -11.503
288 HD2 LYS 33 2HD LYS 33 9.066 -5.733 -13.861
289 HD3 LYS 33 1HD LYS 33 8.179 -7.185 -13.399
290 HE2 LYS 33 2HE LYS 33 7.657 -6.439 -15.711
291 HE3 LYS 33 1HE LYS 33 6.232 -6.446 -14.678
292 HZ1 LYS 33 3HZ LYS 33 6.324 -4.486 -16.071
293 HZ2 LYS 33 1HZ LYS 33 7.819 -4.050 -15.419
294 HZ3 LYS 33 2HZ LYS 33 6.438 -4.054 -14.443
295 H TYR 34 H TYR 34 7.226 -4.169 -9.024
296 HA TYR 34 HA TYR 34 7.400 -6.634 -7.407
297 HD1 TYR 34 2HD TYR 34 9.560 -4.459 -9.788
298 HD2 TYR 34 1HD TYR 34 10.500 -7.376 -6.822
299 HE1 TYR 34 2HE TYR 34 11.092 -5.557 -11.363
300 HE2 TYR 34 1HE TYR 34 12.031 -8.479 -8.391
301 HH TYR 34 HH TYR 34 13.151 -7.061 -11.166
302 HB2 TYR 34 2HB TYR 34 9.040 -4.060 -7.360
303 HB3 TYR 34 1HB TYR 34 9.256 -5.379 -6.214
304 H ASN 35 H ASN 35 5.542 -3.838 -7.479
305 HA ASN 35 HA ASN 35 5.107 -3.452 -4.673
306 HB2 ASN 35 2HB ASN 35 3.184 -2.872 -6.976
307 HB3 ASN 35 1HB ASN 35 3.063 -2.228 -5.339
308 HD21 ASN 35 1HD2 ASN 35 3.087 -0.633 -7.601
309 HD22 ASN 35 2HD2 ASN 35 4.535 0.305 -7.624
310 H THR 36 H THR 36 3.213 -4.160 -3.470
311 HA THR 36 HA THR 36 1.788 -6.529 -4.460
312 HB THR 36 HB THR 36 4.004 -7.256 -3.322
313 HG1 THR 36 1HG THR 36 2.970 -9.019 -2.354
314 HG21 THR 36 3HG2 THR 36 2.487 -6.561 -0.778
315 HG22 THR 36 1HG2 THR 36 3.886 -5.676 -1.387
316 HG23 THR 36 2HG2 THR 36 4.056 -7.359 -0.893
317 H TRP 37 H TRP 37 0.078 -7.186 -2.903
318 HA TRP 37 HA TRP 37 -1.207 -4.926 -1.609
319 HD1 TRP 37 HD TRP 37 -1.827 -7.940 -4.575
320 HE1 TRP 37 1HE TRP 37 -3.032 -6.723 -6.485
321 HE3 TRP 37 3HE TRP 37 -4.137 -4.264 -1.881
322 HZ2 TRP 37 2HZ TRP 37 -4.736 -4.503 -6.829
323 HZ3 TRP 37 3HZ TRP 37 -5.533 -2.633 -3.072
324 HH2 TRP 37 HH TRP 37 -5.832 -2.746 -5.498
325 HB2 TRP 37 2HB TRP 37 -2.062 -7.836 -1.905
326 HB3 TRP 37 1HB TRP 37 -3.064 -6.555 -1.239
327 H GLU 38 H GLU 38 -1.638 -4.770 0.590
328 HA GLU 38 HA GLU 38 -0.498 -6.628 2.519
329 HB2 GLU 38 2HB GLU 38 1.115 -4.567 1.725
330 HB3 GLU 38 1HB GLU 38 0.177 -3.725 2.947
331 HG2 GLU 38 2HG GLU 38 2.220 -4.512 3.902
332 HG3 GLU 38 1HG GLU 38 0.858 -5.368 4.614
333 HA PRO 39 HA PRO 39 -4.611 -5.476 4.044
334 HB2 PRO 39 2HB PRO 39 -4.431 -6.729 6.534
335 HB3 PRO 39 1HB PRO 39 -4.840 -7.540 5.020
336 HG2 PRO 39 2HG PRO 39 -2.173 -7.361 6.404
337 HG3 PRO 39 1HG PRO 39 -2.950 -8.773 5.652
338 HD2 PRO 39 2HD PRO 39 -1.013 -7.424 4.375
339 HD3 PRO 39 1HD PRO 39 -2.403 -8.067 3.475
340 H GLU 40 H GLU 40 -5.636 -4.382 5.861
341 HA GLU 40 HA GLU 40 -4.496 -1.891 6.376
342 HB2 GLU 40 2HB GLU 40 -6.462 -1.381 7.690
343 HB3 GLU 40 1HB GLU 40 -6.969 -2.379 6.339
344 HG2 GLU 40 2HG GLU 40 -6.574 -3.362 9.188
345 HG3 GLU 40 1HG GLU 40 -8.125 -2.959 8.463
346 H GLU 41 H GLU 41 -4.390 -4.825 8.281
347 HA GLU 41 HA GLU 41 -3.614 -3.714 10.791
348 HB2 GLU 41 2HB GLU 41 -3.176 -6.062 11.426
349 HB3 GLU 41 1HB GLU 41 -4.722 -5.900 10.599
350 HG2 GLU 41 2HG GLU 41 -3.680 -6.726 8.503
351 HG3 GLU 41 1HG GLU 41 -2.152 -6.940 9.360
352 H ASN 42 H ASN 42 -1.897 -4.576 7.885
353 HA ASN 42 HA ASN 42 0.747 -4.432 9.122
354 HB2 ASN 42 2HB ASN 42 -0.134 -4.990 6.275
355 HB3 ASN 42 1HB ASN 42 1.558 -4.892 6.762
356 HD21 ASN 42 1HD2 ASN 42 0.415 -7.136 5.579
357 HD22 ASN 42 2HD2 ASN 42 0.418 -8.430 6.723
358 H ILE 43 H ILE 43 -1.454 -2.171 8.114
359 HA ILE 43 HA ILE 43 0.644 -0.245 7.300
360 HB ILE 43 HB ILE 43 -2.358 0.004 6.823
361 HG12 ILE 43 2HG1 ILE 43 -1.445 -1.807 5.420
362 HG13 ILE 43 1HG1 ILE 43 -1.821 -0.416 4.420
363 HG21 ILE 43 1HG2 ILE 43 -1.235 2.192 7.033
364 HG22 ILE 43 2HG2 ILE 43 -1.757 1.911 5.374
365 HG23 ILE 43 3HG2 ILE 43 -0.056 1.723 5.802
366 HD11 ILE 43 3HD1 ILE 43 0.238 -1.463 3.725
367 HD12 ILE 43 1HD1 ILE 43 0.937 -1.228 5.326
368 HD13 ILE 43 2HD1 ILE 43 0.549 0.167 4.315
369 H LEU 44 H LEU 44 1.346 0.202 9.322
370 HA LEU 44 HA LEU 44 -0.445 1.372 11.333
371 HG LEU 44 HG LEU 44 1.753 -0.929 13.342
372 HB2 LEU 44 2HB LEU 44 2.499 0.584 11.432
373 HB3 LEU 44 1HB LEU 44 1.667 1.366 12.756
374 HD11 LEU 44 1HD1 LEU 44 -0.439 0.034 13.775
375 HD12 LEU 44 2HD1 LEU 44 -0.574 -1.683 13.410
376 HD13 LEU 44 3HD1 LEU 44 -1.012 -0.487 12.186
377 HD21 LEU 44 3HD2 LEU 44 2.399 -1.868 11.183
378 HD22 LEU 44 1HD2 LEU 44 0.753 -1.666 10.577
379 HD23 LEU 44 2HD2 LEU 44 1.082 -2.793 11.898
380 H ASP 45 H ASP 45 1.324 2.396 8.709
381 HA ASP 45 HA ASP 45 2.570 4.734 9.946
382 HB2 ASP 45 2HB ASP 45 3.918 3.264 8.511
383 HB3 ASP 45 1HB ASP 45 2.828 3.562 7.156
384 HA PRO 46 HA PRO 46 -0.962 7.255 8.788
385 HB2 PRO 46 2HB PRO 46 0.912 9.566 9.203
386 HB3 PRO 46 1HB PRO 46 -0.645 9.224 9.973
387 HG2 PRO 46 2HG PRO 46 1.624 8.878 11.324
388 HG3 PRO 46 1HG PRO 46 0.293 7.714 11.504
389 HD2 PRO 46 2HD PRO 46 2.815 7.472 9.847
390 HD3 PRO 46 1HD PRO 46 2.044 6.270 10.913
391 H ARG 47 H ARG 47 2.210 7.880 7.297
392 HA ARG 47 HA ARG 47 1.429 9.681 5.265
393 HE ARG 47 HE ARG 47 3.627 11.403 3.426
394 HB2 ARG 47 2HB ARG 47 3.694 7.654 5.345
395 HB3 ARG 47 1HB ARG 47 3.532 8.862 4.077
396 HG2 ARG 47 2HG ARG 47 3.789 9.588 7.012
397 HG3 ARG 47 1HG ARG 47 5.177 9.377 5.942
398 HD2 ARG 47 2HD ARG 47 2.945 11.416 5.596
399 HD3 ARG 47 1HD ARG 47 4.606 11.760 6.091
400 HH11 ARG 47 1HH1 ARG 47 6.544 10.886 5.330
401 HH12 ARG 47 2HH1 ARG 47 7.585 10.928 3.944
402 HH21 ARG 47 1HH2 ARG 47 5.017 11.459 1.635
403 HH22 ARG 47 2HH2 ARG 47 6.724 11.254 1.859
404 H LEU 48 H LEU 48 1.565 6.146 5.337
405 HA LEU 48 HA LEU 48 0.821 5.654 2.631
406 HG LEU 48 HG LEU 48 2.651 4.300 5.172
407 HB2 LEU 48 2HB LEU 48 0.267 3.845 5.021
408 HB3 LEU 48 1HB LEU 48 0.416 3.364 3.338
409 HD11 LEU 48 1HD1 LEU 48 2.176 1.607 3.864
410 HD12 LEU 48 2HD1 LEU 48 1.943 2.000 5.570
411 HD13 LEU 48 3HD1 LEU 48 3.559 2.050 4.872
412 HD21 LEU 48 3HD2 LEU 48 3.078 5.199 2.948
413 HD22 LEU 48 1HD2 LEU 48 2.847 3.604 2.227
414 HD23 LEU 48 2HD2 LEU 48 4.209 3.899 3.311
415 H LEU 49 H LEU 49 -1.005 5.816 5.676
416 HA LEU 49 HA LEU 49 -3.582 5.233 4.692
417 HG LEU 49 HG LEU 49 -2.117 4.296 7.192
418 HB2 LEU 49 2HB LEU 49 -2.692 6.752 7.164
419 HB3 LEU 49 1HB LEU 49 -4.369 6.328 6.856
420 HD11 LEU 49 1HD1 LEU 49 -4.263 5.129 9.174
421 HD12 LEU 49 2HD1 LEU 49 -2.536 5.479 9.297
422 HD13 LEU 49 3HD1 LEU 49 -3.104 3.815 9.393
423 HD21 LEU 49 3HD2 LEU 49 -3.943 2.635 7.322
424 HD22 LEU 49 1HD2 LEU 49 -3.937 3.463 5.764
425 HD23 LEU 49 2HD2 LEU 49 -5.128 3.900 6.990
426 H ILE 50 H ILE 50 -1.768 8.259 4.664
427 HA ILE 50 HA ILE 50 -3.890 10.095 4.308
428 HB ILE 50 HB ILE 50 -1.013 10.196 3.295
429 HG12 ILE 50 2HG1 ILE 50 -2.364 11.657 5.605
430 HG13 ILE 50 1HG1 ILE 50 -1.298 10.272 5.770
431 HG21 ILE 50 1HG2 ILE 50 -3.049 12.454 3.208
432 HG22 ILE 50 2HG2 ILE 50 -2.362 11.619 1.811
433 HG23 ILE 50 3HG2 ILE 50 -1.330 12.607 2.842
434 HD11 ILE 50 3HD1 ILE 50 0.557 11.612 4.869
435 HD12 ILE 50 1HD1 ILE 50 -0.144 12.317 6.325
436 HD13 ILE 50 2HD1 ILE 50 -0.525 13.001 4.746
437 H ALA 51 H ALA 51 -1.972 8.248 1.922
438 HA ALA 51 HA ALA 51 -3.237 9.306 -0.403
439 HB1 ALA 51 1HB ALA 51 -2.103 7.487 -1.605
440 HB2 ALA 51 2HB ALA 51 -1.716 6.706 -0.069
441 HB3 ALA 51 3HB ALA 51 -1.011 8.276 -0.465
442 H PHE 52 H PHE 52 -3.880 6.453 1.597
443 HA PHE 52 HA PHE 52 -5.939 5.249 0.108
444 HD1 PHE 52 1HD PHE 52 -7.264 3.033 0.805
445 HD2 PHE 52 2HD PHE 52 -7.229 5.173 4.514
446 HE1 PHE 52 1HE PHE 52 -9.421 2.024 1.426
447 HE2 PHE 52 2HE PHE 52 -9.381 4.149 5.118
448 HZ PHE 52 HZ PHE 52 -10.481 2.577 3.575
449 HB2 PHE 52 2HB PHE 52 -5.051 4.042 1.984
450 HB3 PHE 52 1HB PHE 52 -5.373 5.370 3.091
451 H GLN 53 H GLN 53 -6.150 7.661 2.728
452 HA GLN 53 HA GLN 53 -8.966 8.015 2.620
453 HB2 GLN 53 2HB GLN 53 -6.769 9.777 3.791
454 HB3 GLN 53 1HB GLN 53 -8.493 10.038 4.061
455 HG2 GLN 53 2HG GLN 53 -8.673 7.891 5.221
456 HG3 GLN 53 1HG GLN 53 -6.984 7.531 4.862
457 HE21 GLN 53 1HE2 GLN 53 -9.138 9.561 6.754
458 HE22 GLN 53 2HE2 GLN 53 -7.965 10.035 7.928
459 H ASN 54 H ASN 54 -6.306 9.522 0.884
460 HA ASN 54 HA ASN 54 -7.671 11.785 -0.175
461 HB2 ASN 54 2HB ASN 54 -5.244 10.248 -1.196
462 HB3 ASN 54 1HB ASN 54 -5.865 11.683 -2.010
463 HD21 ASN 54 1HD2 ASN 54 -3.266 11.312 -0.864
464 HD22 ASN 54 2HD2 ASN 54 -3.081 12.524 0.352
465 H ARG 55 H ARG 55 -7.148 8.477 -1.375
466 HA ARG 55 HA ARG 55 -8.513 8.813 -3.849
467 HE ARG 55 HE ARG 55 -5.666 5.295 -4.723
468 HB2 ARG 55 2HB ARG 55 -6.849 7.051 -3.525
469 HB3 ARG 55 1HB ARG 55 -7.833 6.300 -2.272
470 HG2 ARG 55 2HG ARG 55 -9.505 5.619 -3.862
471 HG3 ARG 55 1HG ARG 55 -8.791 6.610 -5.138
472 HD2 ARG 55 2HD ARG 55 -7.491 4.179 -3.861
473 HD3 ARG 55 1HD ARG 55 -8.268 4.216 -5.446
474 HH11 ARG 55 1HH1 ARG 55 -8.165 5.230 -7.184
475 HH12 ARG 55 2HH1 ARG 55 -7.114 5.807 -8.433
476 HH21 ARG 55 1HH2 ARG 55 -4.303 6.065 -6.346
477 HH22 ARG 55 2HH2 ARG 55 -4.909 6.286 -7.956
478 H GLU 56 H GLU 56 -9.520 7.600 -0.664
479 HA GLU 56 HA GLU 56 -12.154 6.822 -1.492
480 HB2 GLU 56 2HB GLU 56 -11.115 7.333 1.327
481 HB3 GLU 56 1HB GLU 56 -12.604 6.491 0.908
482 HG2 GLU 56 2HG GLU 56 -9.760 5.564 0.518
483 HG3 GLU 56 1HG GLU 56 -11.033 4.808 1.463
484 H ARG 57 H ARG 57 -10.765 9.861 -0.742
485 HA ARG 57 HA ARG 57 -13.443 11.123 -0.579
486 HE ARG 57 HE ARG 57 -14.289 14.406 3.327
487 HB2 ARG 57 2HB ARG 57 -12.058 11.052 1.623
488 HB3 ARG 57 1HB ARG 57 -10.959 12.185 0.845
489 HG2 ARG 57 2HG ARG 57 -12.821 13.817 0.614
490 HG3 ARG 57 1HG ARG 57 -13.912 12.674 1.407
491 HD2 ARG 57 2HD ARG 57 -12.480 12.764 3.448
492 HD3 ARG 57 1HD ARG 57 -11.439 13.944 2.642
493 HH11 ARG 57 1HH1 ARG 57 -11.043 15.676 2.900
494 HH12 ARG 57 2HH1 ARG 57 -11.473 17.271 3.421
495 HH21 ARG 57 1HH2 ARG 57 -14.827 16.484 4.028
496 HH22 ARG 57 2HH2 ARG 57 -13.622 17.731 4.052
497 H GLN 58 H GLN 58 -11.916 10.589 -2.989
498 HA GLN 58 HA GLN 58 -10.874 13.092 -3.977
499 HB2 GLN 58 2HB GLN 58 -11.925 10.644 -5.474
500 HB3 GLN 58 1HB GLN 58 -11.246 12.054 -6.280
501 HG2 GLN 58 2HG GLN 58 -9.094 11.657 -5.107
502 HG3 GLN 58 1HG GLN 58 -9.777 10.207 -4.378
503 HE21 GLN 58 1HE2 GLN 58 -7.458 10.446 -6.102
504 HE22 GLN 58 2HE2 GLN 58 -7.757 9.475 -7.499
505 H GLU 59 H GLU 59 -12.489 14.508 -3.126
506 HA GLU 59 HA GLU 59 -15.269 14.265 -3.873
507 HB2 GLU 59 2HB GLU 59 -14.464 15.068 -1.619
508 HB3 GLU 59 1HB GLU 59 -13.855 16.530 -2.386
509 HG2 GLU 59 2HG GLU 59 -16.098 17.211 -2.993
510 HG3 GLU 59 1HG GLU 59 -16.764 15.672 -2.439
511 H GLN 60 H GLN 60 -15.194 14.402 -6.101
512 HA GLN 60 HA GLN 60 -14.288 16.918 -7.373
513 HB2 GLN 60 2HB GLN 60 -14.543 14.153 -8.652
514 HB3 GLN 60 1HB GLN 60 -13.891 15.599 -9.414
515 HG2 GLN 60 2HG GLN 60 -12.661 14.119 -7.070
516 HG3 GLN 60 1HG GLN 60 -12.118 14.032 -8.743
517 HE21 GLN 60 1HE2 GLN 60 -10.648 14.878 -6.334
518 HE22 GLN 60 2HE2 GLN 60 -10.076 16.472 -6.677
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