Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
9424 | 1ny4 RC | 5691 | cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1H MET 1 -1.822 -5.855 -19.645
2 HA MET 1 HA MET 1 -2.333 -6.197 -22.482
3 1HB MET 1 1HB MET 1 -0.964 -3.907 -21.080
4 2HB MET 1 2HB MET 1 -0.176 -4.488 -22.534
5 1HG MET 1 1HG MET 1 -2.224 -4.130 -23.855
6 2HG MET 1 2HG MET 1 -3.132 -3.720 -22.413
7 1HE MET 1 1HE MET 1 0.639 -1.637 -23.664
8 2HE MET 1 2HE MET 1 0.031 -3.230 -24.177
9 3HE MET 1 3HE MET 1 -0.432 -1.768 -25.080
10 H ALA 2 H ALA 2 -1.620 -8.289 -20.829
11 HA ALA 2 HA ALA 2 -0.167 -9.984 -20.908
12 1HB ALA 2 1HB ALA 2 2.173 -8.626 -22.043
13 2HB ALA 2 2HB ALA 2 1.289 -10.055 -22.631
14 3HB ALA 2 3HB ALA 2 0.714 -8.421 -23.042
15 H GLU 3 H GLU 3 1.587 -6.837 -20.399
16 HA GLU 3 HA GLU 3 3.482 -7.545 -18.728
17 1HB GLU 3 1HB GLU 3 2.683 -5.303 -17.414
18 2HB GLU 3 2HB GLU 3 3.499 -5.269 -18.964
19 1HG GLU 3 1HG GLU 3 1.546 -4.781 -20.152
20 2HG GLU 3 2HG GLU 3 0.507 -5.592 -18.997
21 HE2 GLU 3 HE2 GLU 3 -0.734 -3.733 -18.922
22 H ASP 4 H ASP 4 3.615 -8.829 -16.944
23 HA ASP 4 HA ASP 4 1.622 -8.483 -14.906
24 1HB ASP 4 1HB ASP 4 1.672 -10.770 -16.714
25 2HB ASP 4 2HB ASP 4 2.026 -11.309 -15.085
26 HD2 ASP 4 HD2 ASP 4 -1.048 -10.258 -13.824
27 H GLU 5 H GLU 5 4.637 -8.131 -15.563
28 HA GLU 5 HA GLU 5 5.861 -10.073 -13.848
29 1HB GLU 5 1HB GLU 5 6.713 -8.272 -15.945
30 2HB GLU 5 2HB GLU 5 7.683 -7.962 -14.519
31 1HG GLU 5 1HG GLU 5 8.506 -10.192 -14.429
32 2HG GLU 5 2HG GLU 5 7.195 -10.820 -15.408
33 HE2 GLU 5 HE2 GLU 5 9.739 -11.390 -16.548
34 H GLY 6 H GLY 6 3.872 -7.693 -13.082
35 1HA GLY 6 1HA GLY 6 5.004 -7.254 -10.501
36 2HA GLY 6 2HA GLY 6 5.144 -5.826 -11.508
37 H TYR 7 H TYR 7 3.254 -7.136 -9.171
38 HA TYR 7 HA TYR 7 0.718 -6.311 -10.380
39 1HB TYR 7 1HB TYR 7 -0.124 -7.473 -8.246
40 2HB TYR 7 2HB TYR 7 0.811 -8.532 -9.284
41 HD1 TYR 7 HD1 TYR 7 3.030 -9.314 -8.620
42 HD2 TYR 7 HD2 TYR 7 0.778 -6.690 -6.100
43 HE1 TYR 7 HE1 TYR 7 4.585 -9.834 -6.676
44 HE2 TYR 7 HE2 TYR 7 2.340 -7.219 -4.165
45 HH TYR 7 HH TYR 7 3.844 -9.273 -3.578
46 HA PRO 8 HA PRO 8 1.185 -2.635 -8.035
47 1HB PRO 8 1HB PRO 8 -0.928 -1.282 -9.120
48 2HB PRO 8 2HB PRO 8 0.673 -1.292 -9.834
49 1HG PRO 8 1HG PRO 8 -1.754 -2.738 -10.705
50 2HG PRO 8 2HG PRO 8 -0.296 -2.395 -11.614
51 1HD PRO 8 1HD PRO 8 -1.032 -4.903 -10.434
52 2HD PRO 8 2HD PRO 8 0.477 -4.528 -11.242
53 H ALA 9 H ALA 9 0.304 -1.612 -6.213
54 HA ALA 9 HA ALA 9 -2.186 -2.900 -5.341
55 1HB ALA 9 1HB ALA 9 -1.260 -3.122 -3.099
56 2HB ALA 9 2HB ALA 9 -0.178 -3.933 -4.256
57 3HB ALA 9 3HB ALA 9 0.252 -2.333 -3.608
58 H GLU 10 H GLU 10 -3.710 -1.495 -4.540
59 HA GLU 10 HA GLU 10 -2.861 1.284 -4.463
60 1HB GLU 10 1HB GLU 10 -4.804 0.373 -5.972
61 2HB GLU 10 2HB GLU 10 -5.743 0.338 -4.493
62 1HG GLU 10 1HG GLU 10 -4.506 2.868 -4.435
63 2HG GLU 10 2HG GLU 10 -4.916 2.647 -6.125
64 HE2 GLU 10 HE2 GLU 10 -7.416 3.800 -6.062
65 H VAL 11 H VAL 11 -3.064 2.528 -2.594
66 HA VAL 11 HA VAL 11 -3.175 1.203 -0.149
67 HB VAL 11 HB VAL 11 -3.559 4.123 -0.838
68 1HG1 VAL 11 1HG1 VAL 11 -4.273 3.236 1.512
69 2HG1 VAL 11 2HG1 VAL 11 -2.521 3.110 1.801
70 3HG1 VAL 11 3HG1 VAL 11 -3.246 4.685 1.397
71 1HG2 VAL 11 1HG2 VAL 11 -1.019 2.803 0.133
72 2HG2 VAL 11 2HG2 VAL 11 -1.421 2.918 -1.597
73 3HG2 VAL 11 3HG2 VAL 11 -1.229 4.399 -0.628
74 H ILE 12 H ILE 12 -4.831 0.543 1.137
75 HA ILE 12 HA ILE 12 -7.516 1.306 0.257
76 HB ILE 12 HB ILE 12 -8.120 -0.677 1.775
77 1HG1 ILE 12 1HG1 ILE 12 -5.391 -1.741 1.225
78 2HG1 ILE 12 2HG1 ILE 12 -5.550 -0.619 2.561
79 1HG2 ILE 12 1HG2 ILE 12 -8.261 -0.632 -0.696
80 2HG2 ILE 12 2HG2 ILE 12 -6.578 -1.206 -0.779
81 3HG2 ILE 12 3HG2 ILE 12 -7.834 -2.234 -0.049
82 1HD1 ILE 12 1HD1 ILE 12 -7.265 -2.003 3.617
83 2HD1 ILE 12 2HD1 ILE 12 -7.325 -3.076 2.198
84 3HD1 ILE 12 3HD1 ILE 12 -5.869 -3.035 3.221
85 H GLU 13 H GLU 13 -5.256 1.250 3.037
86 HA GLU 13 HA GLU 13 -6.667 3.409 4.187
87 1HB GLU 13 1HB GLU 13 -8.139 1.634 5.004
88 2HB GLU 13 2HB GLU 13 -6.773 0.701 5.582
89 1HG GLU 13 1HG GLU 13 -6.497 2.005 7.465
90 2HG GLU 13 2HG GLU 13 -6.899 3.492 6.628
91 HE2 GLU 13 HE2 GLU 13 -9.268 3.719 6.175
92 H ILE 14 H ILE 14 -5.362 4.528 5.724
93 HA ILE 14 HA ILE 14 -2.613 3.575 5.767
94 HB ILE 14 HB ILE 14 -3.797 6.244 6.540
95 1HG1 ILE 14 1HG1 ILE 14 -2.181 5.753 4.057
96 2HG1 ILE 14 2HG1 ILE 14 -3.891 5.372 4.059
97 1HG2 ILE 14 1HG2 ILE 14 -1.122 5.082 6.811
98 2HG2 ILE 14 2HG2 ILE 14 -1.140 6.629 5.931
99 3HG2 ILE 14 3HG2 ILE 14 -1.834 6.527 7.567
100 1HD1 ILE 14 1HD1 ILE 14 -3.149 7.777 3.342
101 2HD1 ILE 14 2HD1 ILE 14 -4.533 7.618 4.449
102 3HD1 ILE 14 3HD1 ILE 14 -2.931 8.060 5.086
103 H ILE 15 H ILE 15 -1.493 3.044 7.638
104 HA ILE 15 HA ILE 15 -3.181 2.446 9.900
105 HB ILE 15 HB ILE 15 -0.284 1.874 9.275
106 1HG1 ILE 15 1HG1 ILE 15 -2.251 -0.313 9.569
107 2HG1 ILE 15 2HG1 ILE 15 -2.517 0.731 8.186
108 1HG2 ILE 15 1HG2 ILE 15 -0.958 0.148 11.276
109 2HG2 ILE 15 2HG2 ILE 15 -0.054 1.665 11.496
110 3HG2 ILE 15 3HG2 ILE 15 -1.810 1.626 11.781
111 1HD1 ILE 15 1HD1 ILE 15 0.328 0.145 8.449
112 2HD1 ILE 15 2HD1 ILE 15 -0.619 -1.361 8.404
113 3HD1 ILE 15 3HD1 ILE 15 -0.763 -0.179 7.080
114 H GLY 16 H GLY 16 -0.004 4.161 9.442
115 1HA GLY 16 1HA GLY 16 -0.614 6.549 10.588
116 2HA GLY 16 2HA GLY 16 -0.297 5.513 11.965
117 H ARG 17 H ARG 17 1.691 6.311 12.658
118 HA ARG 17 HA ARG 17 3.750 6.528 10.640
119 1HB ARG 17 1HB ARG 17 3.113 8.217 12.694
120 2HB ARG 17 2HB ARG 17 4.307 7.227 13.511
121 1HG ARG 17 1HG ARG 17 6.021 8.206 12.383
122 2HG ARG 17 2HG ARG 17 5.247 7.935 10.834
123 1HD ARG 17 1HD ARG 17 4.105 10.009 10.884
124 2HD ARG 17 2HD ARG 17 4.193 10.135 12.630
125 HE ARG 17 HE ARG 17 6.835 10.232 11.990
126 1HH1 ARG 17 1HH1 ARG 17 4.068 11.941 10.583
127 2HH1 ARG 17 2HH1 ARG 17 5.002 13.323 10.115
128 1HH2 ARG 17 1HH2 ARG 17 7.350 13.368 10.590
129 H THR 18 H THR 18 6.081 5.862 11.600
130 HA THR 18 HA THR 18 5.823 3.407 13.181
131 HB THR 18 HB THR 18 7.092 3.742 10.419
132 HG1 THR 18 HG1 THR 18 5.088 2.086 11.775
133 1HG2 THR 18 1HG2 THR 18 8.475 1.969 10.830
134 2HG2 THR 18 2HG2 THR 18 8.072 2.116 12.557
135 3HG2 THR 18 3HG2 THR 18 7.121 1.035 11.511
136 H GLY 19 H GLY 19 8.002 5.879 11.705
137 1HA GLY 19 1HA GLY 19 9.906 6.798 12.465
138 2HA GLY 19 2HA GLY 19 9.250 6.571 14.074
139 H THR 20 H THR 20 11.203 5.974 15.093
140 HA THR 20 HA THR 20 12.806 4.597 15.785
141 HB THR 20 HB THR 20 10.998 2.605 14.333
142 HG1 THR 20 HG1 THR 20 11.633 3.437 17.075
143 1HG2 THR 20 1HG2 THR 20 13.643 2.054 15.023
144 2HG2 THR 20 2HG2 THR 20 12.767 1.641 16.517
145 3HG2 THR 20 3HG2 THR 20 12.335 0.847 14.983
146 H THR 21 H THR 21 12.195 3.035 12.582
147 HA THR 21 HA THR 21 14.928 2.886 11.988
148 HB THR 21 HB THR 21 12.306 2.586 10.486
149 HG1 THR 21 HG1 THR 21 13.042 0.427 10.688
150 1HG2 THR 21 1HG2 THR 21 15.065 2.055 9.283
151 2HG2 THR 21 2HG2 THR 21 13.483 1.913 8.480
152 3HG2 THR 21 3HG2 THR 21 14.128 3.519 8.898
153 H GLY 22 H GLY 22 12.454 5.379 11.281
154 1HA GLY 22 1HA GLY 22 14.007 7.554 11.241
155 2HA GLY 22 2HA GLY 22 14.328 6.887 9.653
156 H ASP 23 H ASP 23 11.644 7.881 11.864
157 HA ASP 23 HA ASP 23 9.598 8.528 11.466
158 1HB ASP 23 1HB ASP 23 10.884 9.906 9.061
159 2HB ASP 23 2HB ASP 23 9.360 10.366 9.795
160 HD2 ASP 23 HD2 ASP 23 10.795 11.846 12.553
161 H VAL 24 H VAL 24 9.760 5.968 10.540
162 HA VAL 24 HA VAL 24 9.161 5.765 7.753
163 HB VAL 24 HB VAL 24 9.059 3.813 10.058
164 1HG1 VAL 24 1HG1 VAL 24 9.023 2.070 8.217
165 2HG1 VAL 24 2HG1 VAL 24 7.511 2.980 8.451
166 3HG1 VAL 24 3HG1 VAL 24 8.592 3.383 7.095
167 1HG2 VAL 24 1HG2 VAL 24 11.089 4.344 7.870
168 2HG2 VAL 24 2HG2 VAL 24 11.312 4.481 9.631
169 3HG2 VAL 24 3HG2 VAL 24 11.095 2.881 8.883
170 H THR 25 H THR 25 7.105 4.841 6.911
171 HA THR 25 HA THR 25 4.805 5.388 8.642
172 HB THR 25 HB THR 25 5.415 6.592 5.899
173 HG1 THR 25 HG1 THR 25 4.453 7.637 8.464
174 1HG2 THR 25 1HG2 THR 25 3.011 7.676 6.796
175 2HG2 THR 25 2HG2 THR 25 3.148 6.454 5.510
176 3HG2 THR 25 3HG2 THR 25 2.810 5.951 7.184
177 H GLN 26 H GLN 26 3.714 3.540 8.815
178 HA GLN 26 HA GLN 26 3.933 1.668 6.634
179 1HB GLN 26 1HB GLN 26 3.523 1.510 9.513
180 2HB GLN 26 2HB GLN 26 2.267 0.612 8.685
181 1HG GLN 26 1HG GLN 26 5.091 0.248 7.707
182 2HG GLN 26 2HG GLN 26 4.679 -0.470 9.251
183 1HE2 GLN 26 1HE2 GLN 26 4.401 -2.546 8.934
184 2HE2 GLN 26 2HE2 GLN 26 3.414 -3.296 7.724
185 H VAL 27 H VAL 27 2.256 1.128 5.241
186 HA VAL 27 HA VAL 27 -0.395 2.169 5.887
187 HB VAL 27 HB VAL 27 -0.579 2.934 3.505
188 1HG1 VAL 27 1HG1 VAL 27 -0.446 4.829 4.711
189 2HG1 VAL 27 2HG1 VAL 27 0.897 4.217 5.706
190 3HG1 VAL 27 3HG1 VAL 27 1.225 4.921 4.104
191 1HG2 VAL 27 1HG2 VAL 27 2.323 3.349 3.245
192 2HG2 VAL 27 2HG2 VAL 27 1.823 1.643 3.146
193 3HG2 VAL 27 3HG2 VAL 27 1.120 2.843 2.034
194 H LYS 28 H LYS 28 -2.126 1.028 4.772
195 HA LYS 28 HA LYS 28 -1.247 -1.651 3.990
196 1HB LYS 28 1HB LYS 28 -3.626 -0.547 5.399
197 2HB LYS 28 2HB LYS 28 -3.908 -1.909 4.334
198 1HG LYS 28 1HG LYS 28 -2.052 -3.165 5.496
199 2HG LYS 28 2HG LYS 28 -1.853 -1.814 6.594
200 1HD LYS 28 1HD LYS 28 -4.182 -2.081 7.400
201 2HD LYS 28 2HD LYS 28 -4.461 -3.366 6.242
202 1HE LYS 28 1HE LYS 28 -3.901 -4.683 8.060
203 2HE LYS 28 2HE LYS 28 -2.283 -4.422 7.439
204 1HZ LYS 28 1HZ LYS 28 -1.937 -3.656 9.538
205 2HZ LYS 28 2HZ LYS 28 -2.582 -2.262 8.997
206 H VAL 29 H VAL 29 -1.542 -2.410 1.938
207 HA VAL 29 HA VAL 29 -3.249 -0.799 0.181
208 HB VAL 29 HB VAL 29 -1.587 -0.982 -1.583
209 1HG1 VAL 29 1HG1 VAL 29 -1.326 0.589 0.810
210 2HG1 VAL 29 2HG1 VAL 29 0.294 0.226 0.169
211 3HG1 VAL 29 3HG1 VAL 29 -0.916 1.020 -0.867
212 1HG2 VAL 29 1HG2 VAL 29 -0.187 -2.746 -1.395
213 2HG2 VAL 29 2HG2 VAL 29 0.828 -1.604 -0.481
214 3HG2 VAL 29 3HG2 VAL 29 -0.241 -2.735 0.385
215 H ARG 30 H ARG 30 -4.145 -2.006 -1.636
216 HA ARG 30 HA ARG 30 -4.098 -4.863 -1.072
217 1HB ARG 30 1HB ARG 30 -6.317 -3.935 -0.619
218 2HB ARG 30 2HB ARG 30 -6.336 -3.084 -2.151
219 1HG ARG 30 1HG ARG 30 -6.466 -5.164 -3.406
220 2HG ARG 30 2HG ARG 30 -6.131 -6.121 -1.977
221 1HD ARG 30 1HD ARG 30 -8.436 -6.333 -1.973
222 2HD ARG 30 2HD ARG 30 -8.329 -4.844 -1.056
223 HE ARG 30 HE ARG 30 -8.377 -4.209 -3.856
224 1HH1 ARG 30 1HH1 ARG 30 -10.515 -5.404 -1.296
225 2HH1 ARG 30 2HH1 ARG 30 -11.954 -4.791 -2.041
226 1HH2 ARG 30 1HH2 ARG 30 -11.789 -3.617 -4.123
227 H ILE 31 H ILE 31 -4.117 -6.323 -2.936
228 HA ILE 31 HA ILE 31 -2.647 -5.296 -5.135
229 HB ILE 31 HB ILE 31 -3.926 -7.988 -4.642
230 1HG1 ILE 31 1HG1 ILE 31 -1.146 -6.913 -4.114
231 2HG1 ILE 31 2HG1 ILE 31 -2.300 -7.516 -2.942
232 1HG2 ILE 31 1HG2 ILE 31 -1.951 -7.099 -6.760
233 2HG2 ILE 31 2HG2 ILE 31 -2.337 -8.794 -6.378
234 3HG2 ILE 31 3HG2 ILE 31 -3.603 -7.713 -7.008
235 1HD1 ILE 31 1HD1 ILE 31 -2.213 -9.769 -4.164
236 2HD1 ILE 31 2HD1 ILE 31 -0.839 -9.113 -5.086
237 3HD1 ILE 31 3HD1 ILE 31 -0.720 -9.294 -3.319
238 H LEU 32 H LEU 32 -3.332 -4.554 -7.091
239 HA LEU 32 HA LEU 32 -6.191 -4.293 -7.426
240 1HB LEU 32 1HB LEU 32 -3.760 -3.135 -8.751
241 2HB LEU 32 2HB LEU 32 -5.330 -3.021 -9.521
242 HG LEU 32 HG LEU 32 -4.690 -1.978 -6.748
243 1HD1 LEU 32 1HD1 LEU 32 -3.620 -0.347 -7.840
244 2HD1 LEU 32 2HD1 LEU 32 -4.299 -0.821 -9.415
245 3HD1 LEU 32 3HD1 LEU 32 -5.243 0.209 -8.313
246 1HD2 LEU 32 1HD2 LEU 32 -7.166 -2.592 -7.907
247 2HD2 LEU 32 2HD2 LEU 32 -6.860 -1.618 -6.449
248 3HD2 LEU 32 3HD2 LEU 32 -7.009 -0.824 -8.035
249 H GLU 33 H GLU 33 -3.460 -6.191 -8.653
250 HA GLU 33 HA GLU 33 -5.229 -8.022 -9.815
251 1HB GLU 33 1HB GLU 33 -4.830 -5.915 -11.511
252 2HB GLU 33 2HB GLU 33 -3.478 -6.929 -11.976
253 1HG GLU 33 1HG GLU 33 -4.921 -8.780 -12.538
254 2HG GLU 33 2HG GLU 33 -6.296 -8.055 -11.729
255 HE2 GLU 33 HE2 GLU 33 -7.312 -8.283 -13.756
256 H GLY 34 H GLY 34 -3.894 -9.795 -11.054
257 1HA GLY 34 1HA GLY 34 -1.631 -10.612 -11.426
258 2HA GLY 34 2HA GLY 34 -1.183 -9.929 -9.875
259 H ARG 35 H ARG 35 -3.660 -12.186 -11.294
260 HA ARG 35 HA ARG 35 -4.394 -14.113 -10.649
261 1HB ARG 35 1HB ARG 35 -1.667 -14.210 -9.927
262 2HB ARG 35 2HB ARG 35 -2.494 -14.772 -8.489
263 1HG ARG 35 1HG ARG 35 -3.785 -16.023 -10.728
264 2HG ARG 35 2HG ARG 35 -2.059 -16.174 -10.991
265 1HD ARG 35 1HD ARG 35 -1.809 -17.663 -9.269
266 2HD ARG 35 2HD ARG 35 -2.810 -16.718 -8.185
267 HE ARG 35 HE ARG 35 -4.624 -18.080 -8.735
268 1HH1 ARG 35 1HH1 ARG 35 -2.195 -18.366 -11.299
269 2HH1 ARG 35 2HH1 ARG 35 -3.053 -19.612 -12.143
270 1HH2 ARG 35 1HH2 ARG 35 -5.144 -20.394 -11.273
271 H ASP 36 H ASP 36 -2.831 -13.119 -7.517
272 HA ASP 36 HA ASP 36 -4.835 -13.898 -5.899
273 1HB ASP 36 1HB ASP 36 -3.131 -11.387 -5.541
274 2HB ASP 36 2HB ASP 36 -3.935 -12.264 -4.254
275 HD2 ASP 36 HD2 ASP 36 -2.120 -15.124 -5.026
276 H LYS 37 H LYS 37 -4.224 -10.517 -7.141
277 HA LYS 37 HA LYS 37 -5.552 -8.712 -7.098
278 1HB LYS 37 1HB LYS 37 -6.004 -9.801 -9.250
279 2HB LYS 37 2HB LYS 37 -7.320 -10.712 -8.538
280 1HG LYS 37 1HG LYS 37 -8.078 -8.197 -7.793
281 2HG LYS 37 2HG LYS 37 -7.189 -7.802 -9.251
282 1HD LYS 37 1HD LYS 37 -8.623 -9.102 -10.637
283 2HD LYS 37 2HD LYS 37 -9.225 -10.051 -9.292
284 1HE LYS 37 1HE LYS 37 -10.397 -8.035 -8.387
285 2HE LYS 37 2HE LYS 37 -9.783 -7.075 -9.718
286 1HZ LYS 37 1HZ LYS 37 -11.221 -8.073 -11.184
287 2HZ LYS 37 2HZ LYS 37 -11.234 -9.514 -10.425
288 H GLY 38 H GLY 38 -5.896 -8.351 -4.867
289 1HA GLY 38 1HA GLY 38 -7.946 -7.710 -3.643
290 2HA GLY 38 2HA GLY 38 -8.493 -9.360 -3.866
291 H ARG 39 H ARG 39 -5.129 -8.263 -3.140
292 HA ARG 39 HA ARG 39 -5.401 -9.704 -0.624
293 1HB ARG 39 1HB ARG 39 -3.806 -10.605 -2.503
294 2HB ARG 39 2HB ARG 39 -2.766 -9.257 -2.088
295 1HG ARG 39 1HG ARG 39 -1.884 -10.732 -0.566
296 2HG ARG 39 2HG ARG 39 -3.245 -10.235 0.419
297 1HD ARG 39 1HD ARG 39 -4.559 -12.165 -0.261
298 2HD ARG 39 2HD ARG 39 -3.420 -12.579 -1.526
299 HE ARG 39 HE ARG 39 -1.803 -12.701 0.657
300 1HH1 ARG 39 1HH1 ARG 39 -5.050 -14.016 0.129
301 2HH1 ARG 39 2HH1 ARG 39 -4.822 -15.348 1.213
302 1HH2 ARG 39 1HH2 ARG 39 -2.727 -15.588 2.354
303 H VAL 40 H VAL 40 -5.370 -8.316 1.116
304 HA VAL 40 HA VAL 40 -4.149 -5.701 0.749
305 HB VAL 40 HB VAL 40 -5.377 -5.052 2.672
306 1HG1 VAL 40 1HG1 VAL 40 -6.679 -6.404 0.446
307 2HG1 VAL 40 2HG1 VAL 40 -7.691 -6.424 1.910
308 3HG1 VAL 40 3HG1 VAL 40 -7.100 -4.877 1.257
309 1HG2 VAL 40 1HG2 VAL 40 -5.180 -6.697 4.285
310 2HG2 VAL 40 2HG2 VAL 40 -6.876 -6.904 3.785
311 3HG2 VAL 40 3HG2 VAL 40 -5.624 -8.006 3.163
312 H ILE 41 H ILE 41 -2.227 -5.108 1.657
313 HA ILE 41 HA ILE 41 -1.164 -6.838 3.761
314 HB ILE 41 HB ILE 41 1.036 -6.811 2.685
315 1HG1 ILE 41 1HG1 ILE 41 -0.265 -5.849 0.141
316 2HG1 ILE 41 2HG1 ILE 41 0.422 -4.713 1.285
317 1HG2 ILE 41 1HG2 ILE 41 -0.924 -7.990 0.726
318 2HG2 ILE 41 2HG2 ILE 41 0.643 -8.628 1.279
319 3HG2 ILE 41 3HG2 ILE 41 -0.758 -8.635 2.377
320 1HD1 ILE 41 1HD1 ILE 41 2.622 -5.698 1.099
321 2HD1 ILE 41 2HD1 ILE 41 1.981 -7.102 0.210
322 3HD1 ILE 41 3HD1 ILE 41 2.006 -5.497 -0.559
323 H ARG 42 H ARG 42 1.011 -5.667 4.595
324 HA ARG 42 HA ARG 42 0.308 -2.847 4.773
325 1HB ARG 42 1HB ARG 42 1.388 -3.002 7.125
326 2HB ARG 42 2HB ARG 42 -0.185 -3.748 6.935
327 1HG ARG 42 1HG ARG 42 2.121 -5.535 6.312
328 2HG ARG 42 2HG ARG 42 2.029 -5.019 7.984
329 1HD ARG 42 1HD ARG 42 -0.625 -5.670 7.440
330 2HD ARG 42 2HD ARG 42 0.240 -6.849 6.476
331 HE ARG 42 HE ARG 42 1.543 -6.866 8.956
332 1HH1 ARG 42 1HH1 ARG 42 -1.765 -7.458 7.831
333 2HH1 ARG 42 2HH1 ARG 42 -2.133 -8.568 9.109
334 1HH2 ARG 42 1HH2 ARG 42 -0.459 -9.066 10.750
335 H ARG 43 H ARG 43 1.848 -1.834 3.488
336 HA ARG 43 HA ARG 43 4.544 -2.872 3.631
337 1HB ARG 43 1HB ARG 43 2.943 -1.334 1.627
338 2HB ARG 43 2HB ARG 43 4.626 -0.859 1.737
339 1HG ARG 43 1HG ARG 43 3.956 -3.805 1.591
340 2HG ARG 43 2HG ARG 43 3.869 -2.849 0.125
341 1HD ARG 43 1HD ARG 43 6.107 -3.628 0.116
342 2HD ARG 43 2HD ARG 43 6.263 -2.003 0.754
343 HE ARG 43 HE ARG 43 5.860 -4.059 2.817
344 1HH1 ARG 43 1HH1 ARG 43 8.253 -2.273 0.909
345 2HH1 ARG 43 2HH1 ARG 43 9.541 -2.554 2.032
346 1HH2 ARG 43 1HH2 ARG 43 9.110 -3.824 4.019
347 H ASN 44 H ASN 44 6.322 -1.558 4.306
348 HA ASN 44 HA ASN 44 5.476 0.885 5.639
349 1HB ASN 44 1HB ASN 44 7.398 0.579 7.119
350 2HB ASN 44 2HB ASN 44 6.552 -0.953 7.031
351 1HD2 ASN 44 1HD2 ASN 44 9.485 0.316 7.154
352 2HD2 ASN 44 2HD2 ASN 44 10.424 -0.808 6.229
353 H VAL 45 H VAL 45 6.314 2.838 4.845
354 HA VAL 45 HA VAL 45 8.819 2.785 3.385
355 HB VAL 45 HB VAL 45 6.189 3.674 2.192
356 1HG1 VAL 45 1HG1 VAL 45 7.795 5.375 1.650
357 2HG1 VAL 45 2HG1 VAL 45 9.026 4.158 1.233
358 3HG1 VAL 45 3HG1 VAL 45 7.581 4.349 0.211
359 1HG2 VAL 45 1HG2 VAL 45 6.713 2.067 0.423
360 2HG2 VAL 45 2HG2 VAL 45 8.232 1.635 1.246
361 3HG2 VAL 45 3HG2 VAL 45 6.668 1.263 2.011
362 H ARG 46 H ARG 46 9.513 5.126 2.884
363 HA ARG 46 HA ARG 46 8.920 6.623 5.259
364 1HB ARG 46 1HB ARG 46 10.878 7.336 3.023
365 2HB ARG 46 2HB ARG 46 10.875 7.970 4.657
366 1HG ARG 46 1HG ARG 46 10.968 5.052 4.725
367 2HG ARG 46 2HG ARG 46 12.250 5.666 3.700
368 1HD ARG 46 1HD ARG 46 11.792 6.997 6.377
369 2HD ARG 46 2HD ARG 46 12.591 5.438 6.347
370 HE ARG 46 HE ARG 46 13.656 7.978 5.297
371 1HH1 ARG 46 1HH1 ARG 46 13.996 4.452 5.357
372 2HH1 ARG 46 2HH1 ARG 46 15.657 4.479 4.866
373 1HH2 ARG 46 1HH2 ARG 46 16.725 6.585 4.455
374 H GLY 47 H GLY 47 7.827 8.621 5.293
375 1HA GLY 47 1HA GLY 47 7.136 10.625 4.235
376 2HA GLY 47 2HA GLY 47 7.078 9.792 2.694
377 HA PRO 48 HA PRO 48 2.937 9.697 4.790
378 1HB PRO 48 1HB PRO 48 1.650 11.772 3.561
379 2HB PRO 48 2HB PRO 48 2.384 11.904 5.146
380 1HG PRO 48 1HG PRO 48 3.354 12.958 2.560
381 2HG PRO 48 2HG PRO 48 3.825 13.426 4.182
382 1HD PRO 48 1HD PRO 48 5.315 11.773 2.372
383 2HD PRO 48 2HD PRO 48 5.730 12.146 4.033
384 H VAL 49 H VAL 49 0.624 10.134 3.308
385 HA VAL 49 HA VAL 49 0.944 9.187 0.683
386 HB VAL 49 HB VAL 49 1.631 7.164 2.003
387 1HG1 VAL 49 1HG1 VAL 49 -0.462 5.851 2.864
388 2HG1 VAL 49 2HG1 VAL 49 0.303 7.075 3.906
389 3HG1 VAL 49 3HG1 VAL 49 -1.187 7.470 3.015
390 1HG2 VAL 49 1HG2 VAL 49 0.378 7.319 -0.348
391 2HG2 VAL 49 2HG2 VAL 49 0.778 5.759 0.411
392 3HG2 VAL 49 3HG2 VAL 49 -0.870 6.418 0.547
393 H ARG 50 H ARG 50 -1.343 8.402 -0.153
394 HA ARG 50 HA ARG 50 -3.444 9.537 1.446
395 1HB ARG 50 1HB ARG 50 -3.067 10.452 -1.444
396 2HB ARG 50 2HB ARG 50 -4.230 11.066 -0.285
397 1HG ARG 50 1HG ARG 50 -2.480 12.078 1.068
398 2HG ARG 50 2HG ARG 50 -1.220 11.255 0.170
399 1HD ARG 50 1HD ARG 50 -2.100 12.513 -1.926
400 2HD ARG 50 2HD ARG 50 -3.038 13.494 -0.818
401 HE ARG 50 HE ARG 50 -0.556 13.681 0.300
402 1HH1 ARG 50 1HH1 ARG 50 -1.625 14.059 -3.057
403 2HH1 ARG 50 2HH1 ARG 50 -0.368 15.180 -3.461
404 1HH2 ARG 50 1HH2 ARG 50 1.224 15.813 -1.786
405 H VAL 51 H VAL 51 -5.315 8.306 1.212
406 HA VAL 51 HA VAL 51 -5.376 5.898 0.044
407 HB VAL 51 HB VAL 51 -7.650 7.873 0.320
408 1HG1 VAL 51 1HG1 VAL 51 -7.953 5.752 -1.179
409 2HG1 VAL 51 2HG1 VAL 51 -7.988 4.883 0.374
410 3HG1 VAL 51 3HG1 VAL 51 -9.187 6.155 0.039
411 1HG2 VAL 51 1HG2 VAL 51 -7.294 7.636 2.513
412 2HG2 VAL 51 2HG2 VAL 51 -7.786 5.935 2.339
413 3HG2 VAL 51 3HG2 VAL 51 -6.064 6.378 2.243
414 H GLY 52 H GLY 52 -5.206 5.101 -1.984
415 1HA GLY 52 1HA GLY 52 -6.291 5.227 -4.208
416 2HA GLY 52 2HA GLY 52 -5.883 6.931 -4.210
417 H ASP 53 H ASP 53 -3.250 6.505 -2.815
418 HA ASP 53 HA ASP 53 -1.588 6.518 -4.878
419 1HB ASP 53 1HB ASP 53 -1.302 6.512 -2.155
420 2HB ASP 53 2HB ASP 53 -0.611 4.944 -2.521
421 HD2 ASP 53 HD2 ASP 53 -0.104 8.329 -2.879
422 H ILE 54 H ILE 54 -0.165 4.889 -5.923
423 HA ILE 54 HA ILE 54 -0.967 2.113 -5.485
424 HB ILE 54 HB ILE 54 -1.070 3.639 -8.072
425 1HG1 ILE 54 1HG1 ILE 54 -3.050 1.649 -6.956
426 2HG1 ILE 54 2HG1 ILE 54 -3.077 3.339 -6.490
427 1HG2 ILE 54 1HG2 ILE 54 -1.564 1.068 -8.826
428 2HG2 ILE 54 2HG2 ILE 54 -0.014 1.914 -9.043
429 3HG2 ILE 54 3HG2 ILE 54 -0.253 0.840 -7.644
430 1HD1 ILE 54 1HD1 ILE 54 -2.866 3.526 -9.251
431 2HD1 ILE 54 2HD1 ILE 54 -3.879 2.077 -9.044
432 3HD1 ILE 54 3HD1 ILE 54 -4.388 3.627 -8.334
433 H LEU 55 H LEU 55 0.714 0.628 -5.690
434 HA LEU 55 HA LEU 55 3.189 1.453 -6.879
435 1HB LEU 55 1HB LEU 55 2.764 1.612 -3.975
436 2HB LEU 55 2HB LEU 55 4.175 0.685 -4.446
437 HG LEU 55 HG LEU 55 3.901 3.279 -5.831
438 1HD1 LEU 55 1HD1 LEU 55 3.355 4.466 -4.015
439 2HD1 LEU 55 2HD1 LEU 55 3.711 3.120 -2.905
440 3HD1 LEU 55 3HD1 LEU 55 5.030 4.161 -3.494
441 1HD2 LEU 55 1HD2 LEU 55 6.070 2.937 -6.141
442 2HD2 LEU 55 2HD2 LEU 55 6.358 2.870 -4.386
443 3HD2 LEU 55 3HD2 LEU 55 5.913 1.391 -5.272
444 H ILE 56 H ILE 56 4.370 -0.323 -7.570
445 HA ILE 56 HA ILE 56 3.005 -2.855 -7.244
446 HB ILE 56 HB ILE 56 5.484 -2.481 -8.867
447 1HG1 ILE 56 1HG1 ILE 56 2.802 -1.232 -9.432
448 2HG1 ILE 56 2HG1 ILE 56 4.398 -0.518 -9.546
449 1HG2 ILE 56 1HG2 ILE 56 2.972 -3.927 -9.663
450 2HG2 ILE 56 2HG2 ILE 56 4.657 -4.216 -10.159
451 3HG2 ILE 56 3HG2 ILE 56 4.122 -4.664 -8.522
452 1HD1 ILE 56 1HD1 ILE 56 3.878 -0.930 -11.803
453 2HD1 ILE 56 2HD1 ILE 56 4.832 -2.371 -11.376
454 3HD1 ILE 56 3HD1 ILE 56 3.056 -2.465 -11.434
455 H LEU 57 H LEU 57 3.985 -4.764 -6.405
456 HA LEU 57 HA LEU 57 6.292 -4.171 -4.686
457 1HB LEU 57 1HB LEU 57 3.912 -5.974 -4.279
458 2HB LEU 57 2HB LEU 57 5.375 -6.112 -3.324
459 HG LEU 57 HG LEU 57 3.915 -4.839 -2.012
460 1HD1 LEU 57 1HD1 LEU 57 5.159 -2.980 -1.543
461 2HD1 LEU 57 2HD1 LEU 57 6.305 -3.860 -2.583
462 3HD1 LEU 57 3HD1 LEU 57 5.340 -2.524 -3.254
463 1HD2 LEU 57 1HD2 LEU 57 2.555 -3.007 -2.749
464 2HD2 LEU 57 2HD2 LEU 57 3.313 -3.022 -4.359
465 3HD2 LEU 57 3HD2 LEU 57 2.286 -4.382 -3.847
466 H ARG 58 H ARG 58 7.861 -4.671 -6.291
467 HA ARG 58 HA ARG 58 7.700 -7.010 -7.790
468 1HB ARG 58 1HB ARG 58 10.135 -6.540 -8.282
469 2HB ARG 58 2HB ARG 58 9.103 -5.144 -8.522
470 1HG ARG 58 1HG ARG 58 10.405 -3.979 -7.080
471 2HG ARG 58 2HG ARG 58 9.868 -5.034 -5.787
472 1HD ARG 58 1HD ARG 58 12.092 -5.575 -5.616
473 2HD ARG 58 2HD ARG 58 11.755 -6.650 -6.959
474 HE ARG 58 HE ARG 58 13.026 -5.263 -8.344
475 1HH1 ARG 58 1HH1 ARG 58 12.077 -3.415 -5.474
476 2HH1 ARG 58 2HH1 ARG 58 13.033 -2.034 -5.894
477 1HH2 ARG 58 1HH2 ARG 58 14.326 -2.071 -7.912
478 H GLU 59 H GLU 59 8.656 -6.320 -4.494
479 HA GLU 59 HA GLU 59 9.254 -9.102 -4.135
480 1HB GLU 59 1HB GLU 59 11.444 -7.738 -4.664
481 2HB GLU 59 2HB GLU 59 11.266 -7.122 -3.034
482 1HG GLU 59 1HG GLU 59 11.874 -9.113 -2.075
483 2HG GLU 59 2HG GLU 59 10.925 -10.060 -3.203
484 HE2 GLU 59 HE2 GLU 59 12.079 -10.550 -5.298
485 H THR 60 H THR 60 9.125 -5.789 -2.677
486 HA THR 60 HA THR 60 7.935 -5.052 -0.927
487 HB THR 60 HB THR 60 6.512 -7.312 -1.663
488 HG1 THR 60 HG1 THR 60 5.098 -6.387 0.148
489 1HG2 THR 60 1HG2 THR 60 6.161 -8.736 0.175
490 2HG2 THR 60 2HG2 THR 60 7.906 -8.432 0.346
491 3HG2 THR 60 3HG2 THR 60 6.743 -7.528 1.345
492 H GLU 61 H GLU 61 10.518 -7.159 -0.955
493 HA GLU 61 HA GLU 61 12.005 -7.805 0.506
494 1HB GLU 61 1HB GLU 61 11.266 -5.112 1.727
495 2HB GLU 61 2HB GLU 61 12.674 -6.036 2.214
496 1HG GLU 61 1HG GLU 61 13.424 -6.034 -0.227
497 2HG GLU 61 2HG GLU 61 12.096 -4.946 -0.579
498 HE2 GLU 61 HE2 GLU 61 15.278 -3.741 -0.223
499 H ARG 62 H ARG 62 12.457 -7.735 3.214
500 HA ARG 62 HA ARG 62 9.989 -8.381 4.523
501 1HB ARG 62 1HB ARG 62 10.809 -10.527 3.410
502 2HB ARG 62 2HB ARG 62 12.258 -10.429 4.390
503 1HG ARG 62 1HG ARG 62 10.430 -10.190 6.376
504 2HG ARG 62 2HG ARG 62 9.437 -11.061 5.224
505 1HD ARG 62 1HD ARG 62 12.215 -12.122 5.623
506 2HD ARG 62 2HD ARG 62 11.125 -12.297 6.984
507 HE ARG 62 HE ARG 62 9.564 -13.184 4.912
508 1HH1 ARG 62 1HH1 ARG 62 12.873 -13.995 5.888
509 2HH1 ARG 62 2HH1 ARG 62 12.793 -15.609 5.264
510 1HH2 ARG 62 1HH2 ARG 62 10.777 -16.363 4.210
511 H GLU 63 H GLU 63 13.604 -8.781 4.814
512 HA GLU 63 HA GLU 63 15.033 -8.107 6.303
513 1HB GLU 63 1HB GLU 63 13.035 -5.988 6.315
514 2HB GLU 63 2HB GLU 63 13.727 -6.161 7.916
515 1HG GLU 63 1HG GLU 63 15.750 -5.332 7.258
516 2HG GLU 63 2HG GLU 63 15.784 -6.322 5.812
517 HE2 GLU 63 HE2 GLU 63 15.360 -3.422 4.045
518 H ALA 64 H ALA 64 14.791 -10.272 7.268
519 HA ALA 64 HA ALA 64 13.188 -10.301 9.716
520 1HB ALA 64 1HB ALA 64 14.628 -12.673 8.523
521 2HB ALA 64 2HB ALA 64 13.137 -12.630 9.494
522 3HB ALA 64 3HB ALA 64 13.110 -12.089 7.799
523 H ARG 65 H ARG 65 15.108 -8.605 10.245
524 HA ARG 65 HA ARG 65 17.628 -9.510 10.703
525 1HB ARG 65 1HB ARG 65 15.938 -7.438 12.175
526 2HB ARG 65 2HB ARG 65 17.631 -7.684 12.556
527 1HG ARG 65 1HG ARG 65 17.992 -7.402 9.945
528 2HG ARG 65 2HG ARG 65 16.404 -6.661 9.978
529 1HD ARG 65 1HD ARG 65 17.595 -4.745 10.434
530 2HD ARG 65 2HD ARG 65 17.546 -5.340 12.081
531 HE ARG 65 HE ARG 65 19.841 -5.776 11.964
532 1HH1 ARG 65 1HH1 ARG 65 18.583 -5.447 8.668
533 2HH1 ARG 65 2HH1 ARG 65 20.150 -5.511 7.931
534 1HH2 ARG 65 1HH2 ARG 65 22.090 -5.755 9.317
535 H GLU 66 H GLU 66 14.928 -9.223 13.142
536 HA GLU 66 HA GLU 66 14.491 -10.299 14.975
537 1HB GLU 66 1HB GLU 66 14.705 -12.279 13.280
538 2HB GLU 66 2HB GLU 66 16.216 -12.635 14.092
539 1HG GLU 66 1HG GLU 66 14.918 -13.860 15.522
540 2HG GLU 66 2HG GLU 66 14.553 -12.315 16.263
541 HE2 GLU 66 HE2 GLU 66 12.827 -14.926 15.069
542 H ILE 67 H ILE 67 16.070 -8.485 15.751
543 HA ILE 67 HA ILE 67 18.662 -8.798 16.369
544 HB ILE 67 HB ILE 67 17.345 -6.791 16.766
545 1HG1 ILE 67 1HG1 ILE 67 18.272 -6.499 19.284
546 2HG1 ILE 67 2HG1 ILE 67 19.162 -7.937 18.825
547 1HG2 ILE 67 1HG2 ILE 67 16.329 -7.923 19.357
548 2HG2 ILE 67 2HG2 ILE 67 15.752 -6.523 18.423
549 3HG2 ILE 67 3HG2 ILE 67 15.425 -8.174 17.845
550 1HD1 ILE 67 1HD1 ILE 67 19.138 -5.909 16.681
551 2HD1 ILE 67 2HD1 ILE 67 19.873 -5.316 18.190
552 3HD1 ILE 67 3HD1 ILE 67 20.512 -6.780 17.404
553 H LYS 68 H LYS 68 19.780 -10.449 17.247
554 HA LYS 68 HA LYS 68 18.552 -12.497 18.693
555 1HB LYS 68 1HB LYS 68 21.347 -11.700 18.009
556 2HB LYS 68 2HB LYS 68 21.133 -12.849 19.314
557 1HG LYS 68 1HG LYS 68 20.684 -14.514 17.843
558 2HG LYS 68 2HG LYS 68 19.362 -13.597 17.148
559 1HD LYS 68 1HD LYS 68 21.489 -12.262 16.043
560 2HD LYS 68 2HD LYS 68 22.193 -13.858 16.212
561 1HE LYS 68 1HE LYS 68 19.415 -13.681 15.054
562 2HE LYS 68 2HE LYS 68 20.748 -13.159 14.043
563 1HZ LYS 68 1HZ LYS 68 20.098 -15.638 14.016
564 2HZ LYS 68 2HZ LYS 68 21.687 -15.290 14.087
565 H SER 69 H SER 69 20.093 -9.425 19.658
566 HA SER 69 HA SER 69 20.694 -9.762 22.198
567 1HB SER 69 1HB SER 69 20.579 -7.594 20.804
568 2HB SER 69 2HB SER 69 18.913 -7.452 21.329
569 HG SER 69 HG SER 69 20.938 -7.874 23.307
570 H ARG 70 H ARG 70 17.317 -8.915 21.110
571 HA ARG 70 HA ARG 70 15.415 -9.035 22.175
572 1HB ARG 70 1HB ARG 70 15.700 -11.356 21.282
573 2HB ARG 70 2HB ARG 70 16.459 -11.848 22.782
574 1HG ARG 70 1HG ARG 70 14.348 -12.454 23.417
575 2HG ARG 70 2HG ARG 70 14.125 -10.748 23.745
576 1HD ARG 70 1HD ARG 70 12.894 -10.379 21.780
577 2HD ARG 70 2HD ARG 70 13.664 -11.697 20.918
578 HE ARG 70 HE ARG 70 12.329 -13.079 22.840
579 1HH1 ARG 70 1HH1 ARG 70 11.239 -10.435 20.749
580 2HH1 ARG 70 2HH1 ARG 70 9.589 -10.959 20.737
581 1HH2 ARG 70 1HH2 ARG 70 8.972 -12.924 21.963
582 H ARG 71 H ARG 71 15.709 -7.522 23.924
583 HA ARG 71 HA ARG 71 16.276 -8.842 26.457
584 1HB ARG 71 1HB ARG 71 16.898 -5.960 25.635
585 2HB ARG 71 2HB ARG 71 17.125 -6.591 27.254
586 1HG ARG 71 1HG ARG 71 18.463 -8.485 25.721
587 2HG ARG 71 2HG ARG 71 18.766 -7.017 24.814
588 1HD ARG 71 1HD ARG 71 20.119 -6.127 26.449
589 2HD ARG 71 2HD ARG 71 19.086 -6.683 27.750
590 HE ARG 71 HE ARG 71 20.222 -9.021 26.732
591 1HH1 ARG 71 1HH1 ARG 71 21.495 -5.997 28.069
592 2HH1 ARG 71 2HH1 ARG 71 22.938 -6.732 28.684
593 1HH2 ARG 71 1HH2 ARG 71 23.287 -9.081 28.364
Start of MODEL 2
1 1H MET 1 1H MET 1 7.125 -10.110 -22.124
2 HA MET 1 HA MET 1 8.967 -10.398 -23.754
3 1HB MET 1 1HB MET 1 7.074 -8.475 -25.145
4 2HB MET 1 2HB MET 1 8.793 -8.285 -25.430
5 1HG MET 1 1HG MET 1 7.477 -11.012 -25.713
6 2HG MET 1 2HG MET 1 7.414 -9.855 -27.027
7 1HE MET 1 1HE MET 1 10.422 -12.839 -26.344
8 2HE MET 1 2HE MET 1 8.685 -12.688 -25.985
9 3HE MET 1 3HE MET 1 9.246 -12.706 -27.674
10 H ALA 2 H ALA 2 7.382 -7.153 -23.256
11 HA ALA 2 HA ALA 2 9.826 -6.035 -22.301
12 1HB ALA 2 1HB ALA 2 8.622 -4.014 -22.250
13 2HB ALA 2 2HB ALA 2 7.841 -4.922 -23.567
14 3HB ALA 2 3HB ALA 2 7.068 -4.836 -21.967
15 H GLU 3 H GLU 3 8.154 -4.469 -20.193
16 HA GLU 3 HA GLU 3 8.401 -6.538 -18.151
17 1HB GLU 3 1HB GLU 3 8.509 -4.034 -16.863
18 2HB GLU 3 2HB GLU 3 9.850 -5.126 -17.148
19 1HG GLU 3 1HG GLU 3 10.277 -4.060 -19.356
20 2HG GLU 3 2HG GLU 3 8.901 -2.999 -19.127
21 HE2 GLU 3 HE2 GLU 3 9.497 -1.150 -18.496
22 H ASP 4 H ASP 4 6.432 -7.222 -17.437
23 HA ASP 4 HA ASP 4 4.495 -5.195 -16.800
24 1HB ASP 4 1HB ASP 4 4.286 -6.938 -19.129
25 2HB ASP 4 2HB ASP 4 3.002 -7.320 -18.000
26 HD2 ASP 4 HD2 ASP 4 1.631 -4.873 -20.148
27 H GLU 5 H GLU 5 6.362 -7.379 -15.596
28 HA GLU 5 HA GLU 5 4.313 -9.055 -14.392
29 1HB GLU 5 1HB GLU 5 7.030 -9.784 -13.648
30 2HB GLU 5 2HB GLU 5 5.820 -10.739 -14.481
31 1HG GLU 5 1HG GLU 5 6.421 -9.391 -16.608
32 2HG GLU 5 2HG GLU 5 7.799 -8.778 -15.717
33 HE2 GLU 5 HE2 GLU 5 9.217 -11.172 -17.438
34 H GLY 6 H GLY 6 3.459 -7.899 -12.673
35 1HA GLY 6 1HA GLY 6 4.803 -7.705 -10.275
36 2HA GLY 6 2HA GLY 6 5.032 -6.154 -11.059
37 H TYR 7 H TYR 7 3.105 -7.724 -8.878
38 HA TYR 7 HA TYR 7 0.562 -6.685 -9.774
39 1HB TYR 7 1HB TYR 7 1.347 -7.788 -7.025
40 2HB TYR 7 2HB TYR 7 -0.206 -7.939 -7.823
41 HD1 TYR 7 HD1 TYR 7 -0.126 -9.287 -10.138
42 HD2 TYR 7 HD2 TYR 7 2.752 -9.638 -6.992
43 HE1 TYR 7 HE1 TYR 7 0.550 -11.580 -11.002
44 HE2 TYR 7 HE2 TYR 7 3.418 -11.930 -7.867
45 HH TYR 7 HH TYR 7 1.557 -13.641 -10.035
46 HA PRO 8 HA PRO 8 1.388 -2.918 -7.668
47 1HB PRO 8 1HB PRO 8 -0.708 -1.504 -8.707
48 2HB PRO 8 2HB PRO 8 0.849 -1.633 -9.501
49 1HG PRO 8 1HG PRO 8 -1.692 -2.984 -10.176
50 2HG PRO 8 2HG PRO 8 -0.268 -2.761 -11.174
51 1HD PRO 8 1HD PRO 8 -1.069 -5.170 -9.838
52 2HD PRO 8 2HD PRO 8 0.412 -4.913 -10.740
53 H ALA 9 H ALA 9 0.764 -1.910 -5.779
54 HA ALA 9 HA ALA 9 -1.731 -3.045 -4.711
55 1HB ALA 9 1HB ALA 9 0.486 -2.142 -2.906
56 2HB ALA 9 2HB ALA 9 -0.698 -3.453 -2.690
57 3HB ALA 9 3HB ALA 9 0.694 -3.681 -3.776
58 H GLU 10 H GLU 10 -3.286 -1.565 -4.264
59 HA GLU 10 HA GLU 10 -2.417 1.209 -4.230
60 1HB GLU 10 1HB GLU 10 -4.118 0.538 -5.934
61 2HB GLU 10 2HB GLU 10 -5.203 0.036 -4.653
62 1HG GLU 10 1HG GLU 10 -4.299 2.719 -4.062
63 2HG GLU 10 2HG GLU 10 -4.828 2.680 -5.732
64 HE2 GLU 10 HE2 GLU 10 -7.007 2.472 -6.063
65 H VAL 11 H VAL 11 -2.498 2.383 -2.351
66 HA VAL 11 HA VAL 11 -2.993 1.165 0.079
67 HB VAL 11 HB VAL 11 -2.966 4.071 -0.747
68 1HG1 VAL 11 1HG1 VAL 11 -3.378 4.730 1.353
69 2HG1 VAL 11 2HG1 VAL 11 -3.951 3.072 1.657
70 3HG1 VAL 11 3HG1 VAL 11 -2.270 3.515 2.035
71 1HG2 VAL 11 1HG2 VAL 11 -0.675 4.061 0.068
72 2HG2 VAL 11 2HG2 VAL 11 -0.826 2.358 0.561
73 3HG2 VAL 11 3HG2 VAL 11 -0.882 2.794 -1.164
74 H ILE 12 H ILE 12 -4.841 0.508 1.040
75 HA ILE 12 HA ILE 12 -7.342 1.517 -0.041
76 HB ILE 12 HB ILE 12 -8.328 -0.321 1.294
77 1HG1 ILE 12 1HG1 ILE 12 -5.588 -1.446 1.756
78 2HG1 ILE 12 2HG1 ILE 12 -6.214 -0.263 2.888
79 1HG2 ILE 12 1HG2 ILE 12 -7.385 -0.441 -1.137
80 2HG2 ILE 12 2HG2 ILE 12 -6.154 -1.499 -0.407
81 3HG2 ILE 12 3HG2 ILE 12 -7.877 -1.930 -0.297
82 1HD1 ILE 12 1HD1 ILE 12 -6.767 -2.593 3.581
83 2HD1 ILE 12 2HD1 ILE 12 -8.236 -1.639 3.264
84 3HD1 ILE 12 3HD1 ILE 12 -7.666 -2.820 2.061
85 H GLU 13 H GLU 13 -5.336 1.531 2.916
86 HA GLU 13 HA GLU 13 -6.731 3.816 3.813
87 1HB GLU 13 1HB GLU 13 -8.338 2.154 4.620
88 2HB GLU 13 2HB GLU 13 -7.061 1.215 5.368
89 1HG GLU 13 1HG GLU 13 -6.588 2.993 6.974
90 2HG GLU 13 2HG GLU 13 -7.648 4.109 6.136
91 HE2 GLU 13 HE2 GLU 13 -7.663 2.493 8.816
92 H ILE 14 H ILE 14 -5.497 4.981 5.375
93 HA ILE 14 HA ILE 14 -2.790 3.977 5.639
94 HB ILE 14 HB ILE 14 -4.007 6.657 6.321
95 1HG1 ILE 14 1HG1 ILE 14 -2.200 6.122 3.977
96 2HG1 ILE 14 2HG1 ILE 14 -3.917 5.791 3.848
97 1HG2 ILE 14 1HG2 ILE 14 -1.929 7.449 6.872
98 2HG2 ILE 14 2HG2 ILE 14 -1.808 5.780 7.477
99 3HG2 ILE 14 3HG2 ILE 14 -1.076 6.216 5.914
100 1HD1 ILE 14 1HD1 ILE 14 -3.967 8.006 3.206
101 2HD1 ILE 14 2HD1 ILE 14 -4.062 8.262 4.965
102 3HD1 ILE 14 3HD1 ILE 14 -2.499 8.414 4.126
103 H ILE 15 H ILE 15 -1.941 3.125 7.477
104 HA ILE 15 HA ILE 15 -3.737 2.757 9.690
105 HB ILE 15 HB ILE 15 -0.949 1.814 9.053
106 1HG1 ILE 15 1HG1 ILE 15 -3.272 0.002 9.527
107 2HG1 ILE 15 2HG1 ILE 15 -3.261 0.922 8.036
108 1HG2 ILE 15 1HG2 ILE 15 -1.248 0.336 11.091
109 2HG2 ILE 15 2HG2 ILE 15 -0.897 2.053 11.403
110 3HG2 ILE 15 3HG2 ILE 15 -2.557 1.438 11.583
111 1HD1 ILE 15 1HD1 ILE 15 -0.909 -0.767 9.000
112 2HD1 ILE 15 2HD1 ILE 15 -2.138 -1.329 7.842
113 3HD1 ILE 15 3HD1 ILE 15 -1.070 0.031 7.417
114 H GLY 16 H GLY 16 -0.249 3.727 9.737
115 1HA GLY 16 1HA GLY 16 -0.782 6.256 10.954
116 2HA GLY 16 2HA GLY 16 -0.316 5.056 12.141
117 H ARG 17 H ARG 17 1.110 7.522 11.040
118 HA ARG 17 HA ARG 17 3.331 6.304 9.685
119 1HB ARG 17 1HB ARG 17 4.185 8.680 9.561
120 2HB ARG 17 2HB ARG 17 2.593 8.485 8.855
121 1HG ARG 17 1HG ARG 17 1.549 9.725 10.503
122 2HG ARG 17 2HG ARG 17 2.612 9.144 11.770
123 1HD ARG 17 1HD ARG 17 4.454 10.607 10.878
124 2HD ARG 17 2HD ARG 17 3.365 11.210 9.644
125 HE ARG 17 HE ARG 17 2.258 12.514 11.263
126 1HH1 ARG 17 1HH1 ARG 17 4.403 10.201 12.875
127 2HH1 ARG 17 2HH1 ARG 17 4.223 10.931 14.436
128 1HH2 ARG 17 1HH2 ARG 17 2.816 12.857 14.674
129 H THR 18 H THR 18 5.539 6.378 10.531
130 HA THR 18 HA THR 18 5.791 7.132 13.345
131 HB THR 18 HB THR 18 5.165 4.635 13.056
132 HG1 THR 18 HG1 THR 18 6.665 4.272 14.755
133 1HG2 THR 18 1HG2 THR 18 8.097 4.393 12.260
134 2HG2 THR 18 2HG2 THR 18 6.851 3.121 12.282
135 3HG2 THR 18 3HG2 THR 18 6.812 4.383 11.028
136 H GLY 19 H GLY 19 8.428 6.068 13.647
137 1HA GLY 19 1HA GLY 19 9.959 7.339 11.495
138 2HA GLY 19 2HA GLY 19 10.095 8.006 13.109
139 H THR 20 H THR 20 11.807 7.257 14.271
140 HA THR 20 HA THR 20 13.404 5.916 15.042
141 HB THR 20 HB THR 20 11.163 4.003 14.363
142 HG1 THR 20 HG1 THR 20 10.977 4.610 16.482
143 1HG2 THR 20 1HG2 THR 20 12.850 2.400 13.972
144 2HG2 THR 20 2HG2 THR 20 14.042 3.272 14.965
145 3HG2 THR 20 3HG2 THR 20 12.741 2.341 15.746
146 H THR 21 H THR 21 12.330 3.837 12.284
147 HA THR 21 HA THR 21 14.964 3.388 11.436
148 HB THR 21 HB THR 21 12.163 2.853 10.515
149 HG1 THR 21 HG1 THR 21 13.244 0.746 10.444
150 1HG2 THR 21 1HG2 THR 21 13.293 3.712 8.407
151 2HG2 THR 21 2HG2 THR 21 14.583 2.514 8.668
152 3HG2 THR 21 3HG2 THR 21 12.919 1.973 8.342
153 H GLY 22 H GLY 22 12.540 5.869 10.543
154 1HA GLY 22 1HA GLY 22 14.118 7.903 9.916
155 2HA GLY 22 2HA GLY 22 14.310 6.921 8.479
156 H ASP 23 H ASP 23 11.719 8.246 10.652
157 HA ASP 23 HA ASP 23 9.691 8.915 10.251
158 1HB ASP 23 1HB ASP 23 10.908 9.815 7.597
159 2HB ASP 23 2HB ASP 23 9.368 10.376 8.215
160 HD2 ASP 23 HD2 ASP 23 10.922 12.232 10.800
161 H VAL 24 H VAL 24 9.575 6.288 9.899
162 HA VAL 24 HA VAL 24 8.954 5.486 7.229
163 HB VAL 24 HB VAL 24 8.560 4.109 9.895
164 1HG1 VAL 24 1HG1 VAL 24 8.233 3.205 7.045
165 2HG1 VAL 24 2HG1 VAL 24 8.763 2.048 8.289
166 3HG1 VAL 24 3HG1 VAL 24 7.204 2.890 8.463
167 1HG2 VAL 24 1HG2 VAL 24 10.653 2.846 9.097
168 2HG2 VAL 24 2HG2 VAL 24 10.878 4.192 7.956
169 3HG2 VAL 24 3HG2 VAL 24 10.875 4.503 9.708
170 H THR 25 H THR 25 6.812 4.519 6.627
171 HA THR 25 HA THR 25 4.561 5.575 8.144
172 HB THR 25 HB THR 25 5.443 6.459 5.377
173 HG1 THR 25 HG1 THR 25 5.686 8.089 6.883
174 1HG2 THR 25 1HG2 THR 25 2.971 7.531 5.509
175 2HG2 THR 25 2HG2 THR 25 3.249 5.967 4.706
176 3HG2 THR 25 3HG2 THR 25 2.625 6.013 6.373
177 H GLN 26 H GLN 26 3.550 3.714 8.624
178 HA GLN 26 HA GLN 26 3.528 1.646 6.628
179 1HB GLN 26 1HB GLN 26 3.033 1.841 9.552
180 2HB GLN 26 2HB GLN 26 1.992 0.701 8.721
181 1HG GLN 26 1HG GLN 26 4.088 -0.293 7.641
182 2HG GLN 26 2HG GLN 26 5.044 0.741 8.683
183 1HE2 GLN 26 1HE2 GLN 26 5.899 -1.324 9.407
184 2HE2 GLN 26 2HE2 GLN 26 5.102 -2.193 10.677
185 H VAL 27 H VAL 27 1.641 0.822 5.599
186 HA VAL 27 HA VAL 27 -0.916 1.949 6.237
187 HB VAL 27 HB VAL 27 -1.274 2.901 3.989
188 1HG1 VAL 27 1HG1 VAL 27 1.074 4.257 5.341
189 2HG1 VAL 27 2HG1 VAL 27 -0.259 5.008 4.432
190 3HG1 VAL 27 3HG1 VAL 27 -0.573 4.260 6.016
191 1HG2 VAL 27 1HG2 VAL 27 0.717 1.546 3.013
192 2HG2 VAL 27 2HG2 VAL 27 0.407 3.186 2.395
193 3HG2 VAL 27 3HG2 VAL 27 1.712 2.911 3.573
194 H LYS 28 H LYS 28 -2.657 0.862 5.010
195 HA LYS 28 HA LYS 28 -1.768 -1.809 4.251
196 1HB LYS 28 1HB LYS 28 -4.069 -0.691 5.630
197 2HB LYS 28 2HB LYS 28 -4.574 -1.709 4.297
198 1HG LYS 28 1HG LYS 28 -3.276 -3.593 5.131
199 2HG LYS 28 2HG LYS 28 -2.468 -2.590 6.320
200 1HD LYS 28 1HD LYS 28 -5.062 -2.123 7.039
201 2HD LYS 28 2HD LYS 28 -5.241 -3.730 6.362
202 1HE LYS 28 1HE LYS 28 -3.154 -3.004 8.473
203 2HE LYS 28 2HE LYS 28 -4.722 -3.688 8.852
204 1HZ LYS 28 1HZ LYS 28 -3.285 -5.175 6.839
205 2HZ LYS 28 2HZ LYS 28 -2.520 -5.149 8.275
206 H VAL 29 H VAL 29 -1.781 -2.524 2.175
207 HA VAL 29 HA VAL 29 -3.178 -0.819 0.229
208 HB VAL 29 HB VAL 29 -1.403 -1.171 -1.320
209 1HG1 VAL 29 1HG1 VAL 29 -1.156 0.348 0.961
210 2HG1 VAL 29 2HG1 VAL 29 0.363 -0.582 0.959
211 3HG1 VAL 29 3HG1 VAL 29 -0.070 0.418 -0.448
212 1HG2 VAL 29 1HG2 VAL 29 0.573 -2.499 -0.872
213 2HG2 VAL 29 2HG2 VAL 29 -0.008 -2.880 0.766
214 3HG2 VAL 29 3HG2 VAL 29 -0.875 -3.512 -0.656
215 H ARG 30 H ARG 30 -4.094 -1.936 -1.618
216 HA ARG 30 HA ARG 30 -4.508 -4.753 -1.008
217 1HB ARG 30 1HB ARG 30 -6.597 -3.492 -0.789
218 2HB ARG 30 2HB ARG 30 -6.352 -2.710 -2.337
219 1HG ARG 30 1HG ARG 30 -6.448 -5.009 -3.435
220 2HG ARG 30 2HG ARG 30 -6.870 -5.684 -1.874
221 1HD ARG 30 1HD ARG 30 -8.602 -3.421 -2.341
222 2HD ARG 30 2HD ARG 30 -8.605 -4.399 -3.795
223 HE ARG 30 HE ARG 30 -8.887 -5.966 -1.329
224 1HH1 ARG 30 1HH1 ARG 30 -10.625 -4.184 -3.851
225 2HH1 ARG 30 2HH1 ARG 30 -12.119 -5.019 -3.585
226 1HH2 ARG 30 1HH2 ARG 30 -12.233 -6.710 -1.890
227 H ILE 31 H ILE 31 -4.574 -6.254 -2.840
228 HA ILE 31 HA ILE 31 -2.788 -5.491 -4.922
229 HB ILE 31 HB ILE 31 -4.368 -7.996 -4.353
230 1HG1 ILE 31 1HG1 ILE 31 -1.511 -7.146 -3.868
231 2HG1 ILE 31 2HG1 ILE 31 -2.698 -7.692 -2.701
232 1HG2 ILE 31 1HG2 ILE 31 -2.173 -8.442 -6.141
233 2HG2 ILE 31 2HG2 ILE 31 -3.903 -8.792 -6.367
234 3HG2 ILE 31 3HG2 ILE 31 -3.249 -7.202 -6.829
235 1HD1 ILE 31 1HD1 ILE 31 -1.485 -9.655 -2.965
236 2HD1 ILE 31 2HD1 ILE 31 -2.703 -9.891 -4.242
237 3HD1 ILE 31 3HD1 ILE 31 -1.078 -9.298 -4.661
238 H LEU 32 H LEU 32 -3.251 -4.598 -6.863
239 HA LEU 32 HA LEU 32 -5.964 -3.977 -7.462
240 1HB LEU 32 1HB LEU 32 -3.288 -3.437 -8.676
241 2HB LEU 32 2HB LEU 32 -4.721 -3.205 -9.658
242 HG LEU 32 HG LEU 32 -4.057 -1.107 -8.677
243 1HD1 LEU 32 1HD1 LEU 32 -6.168 -0.460 -8.381
244 2HD1 LEU 32 2HD1 LEU 32 -6.608 -2.178 -8.542
245 3HD1 LEU 32 3HD1 LEU 32 -6.363 -1.469 -6.927
246 1HD2 LEU 32 1HD2 LEU 32 -3.075 -0.993 -6.694
247 2HD2 LEU 32 2HD2 LEU 32 -4.610 -1.436 -5.909
248 3HD2 LEU 32 3HD2 LEU 32 -3.455 -2.704 -6.385
249 H GLU 33 H GLU 33 -3.531 -6.365 -8.576
250 HA GLU 33 HA GLU 33 -5.596 -8.032 -9.500
251 1HB GLU 33 1HB GLU 33 -4.320 -6.223 -11.444
252 2HB GLU 33 2HB GLU 33 -4.157 -7.907 -11.903
253 1HG GLU 33 1HG GLU 33 -6.747 -8.019 -11.257
254 2HG GLU 33 2HG GLU 33 -6.680 -6.285 -11.507
255 HE2 GLU 33 HE2 GLU 33 -7.919 -7.303 -14.208
256 H GLY 34 H GLY 34 -4.576 -10.079 -10.602
257 1HA GLY 34 1HA GLY 34 -2.426 -11.206 -10.958
258 2HA GLY 34 2HA GLY 34 -1.888 -10.515 -9.440
259 H ARG 35 H ARG 35 -4.701 -12.431 -10.733
260 HA ARG 35 HA ARG 35 -5.635 -14.255 -10.032
261 1HB ARG 35 1HB ARG 35 -2.974 -14.588 -9.103
262 2HB ARG 35 2HB ARG 35 -3.973 -14.988 -7.720
263 1HG ARG 35 1HG ARG 35 -5.180 -16.194 -10.047
264 2HG ARG 35 2HG ARG 35 -3.469 -16.570 -10.081
265 1HD ARG 35 1HD ARG 35 -3.556 -17.834 -8.130
266 2HD ARG 35 2HD ARG 35 -4.823 -16.854 -7.418
267 HE ARG 35 HE ARG 35 -5.940 -18.171 -9.681
268 1HH1 ARG 35 1HH1 ARG 35 -4.649 -19.007 -6.489
269 2HH1 ARG 35 2HH1 ARG 35 -5.626 -20.428 -6.328
270 1HH2 ARG 35 1HH2 ARG 35 -7.136 -21.020 -8.093
271 H ASP 36 H ASP 36 -4.128 -13.227 -6.884
272 HA ASP 36 HA ASP 36 -6.336 -13.615 -5.371
273 1HB ASP 36 1HB ASP 36 -4.020 -11.661 -5.137
274 2HB ASP 36 2HB ASP 36 -5.264 -11.710 -3.904
275 HD2 ASP 36 HD2 ASP 36 -5.644 -14.101 -3.263
276 H LYS 37 H LYS 37 -5.114 -10.487 -6.802
277 HA LYS 37 HA LYS 37 -6.107 -8.495 -6.996
278 1HB LYS 37 1HB LYS 37 -6.749 -9.605 -9.045
279 2HB LYS 37 2HB LYS 37 -8.136 -10.348 -8.274
280 1HG LYS 37 1HG LYS 37 -8.739 -7.790 -7.686
281 2HG LYS 37 2HG LYS 37 -7.724 -7.470 -9.079
282 1HD LYS 37 1HD LYS 37 -9.575 -7.864 -10.343
283 2HD LYS 37 2HD LYS 37 -9.321 -9.562 -9.993
284 1HE LYS 37 1HE LYS 37 -10.639 -8.660 -7.697
285 2HE LYS 37 2HE LYS 37 -11.402 -7.723 -8.966
286 1HZ LYS 37 1HZ LYS 37 -11.447 -10.613 -8.565
287 2HZ LYS 37 2HZ LYS 37 -12.624 -9.637 -9.124
288 H GLY 38 H GLY 38 -6.376 -7.826 -4.833
289 1HA GLY 38 1HA GLY 38 -8.350 -6.731 -3.757
290 2HA GLY 38 2HA GLY 38 -9.065 -8.330 -3.708
291 H ARG 39 H ARG 39 -5.996 -9.243 -3.343
292 HA ARG 39 HA ARG 39 -6.223 -9.753 -0.665
293 1HB ARG 39 1HB ARG 39 -4.721 -11.048 -2.099
294 2HB ARG 39 2HB ARG 39 -3.771 -9.626 -2.485
295 1HG ARG 39 1HG ARG 39 -2.438 -10.043 -0.702
296 2HG ARG 39 2HG ARG 39 -3.805 -9.797 0.367
297 1HD ARG 39 1HD ARG 39 -4.404 -12.313 -0.395
298 2HD ARG 39 2HD ARG 39 -2.681 -12.380 -0.715
299 HE ARG 39 HE ARG 39 -2.995 -11.221 1.857
300 1HH1 ARG 39 1HH1 ARG 39 -3.620 -14.330 0.276
301 2HH1 ARG 39 2HH1 ARG 39 -3.432 -15.249 1.731
302 1HH2 ARG 39 1HH2 ARG 39 -2.919 -14.113 3.779
303 H VAL 40 H VAL 40 -5.990 -8.437 1.117
304 HA VAL 40 HA VAL 40 -4.721 -5.846 0.707
305 HB VAL 40 HB VAL 40 -7.014 -6.057 1.652
306 1HG1 VAL 40 1HG1 VAL 40 -6.626 -8.135 2.952
307 2HG1 VAL 40 2HG1 VAL 40 -5.602 -7.214 4.081
308 3HG1 VAL 40 3HG1 VAL 40 -7.334 -6.831 3.935
309 1HG2 VAL 40 1HG2 VAL 40 -4.774 -4.718 3.153
310 2HG2 VAL 40 2HG2 VAL 40 -6.035 -4.002 2.119
311 3HG2 VAL 40 3HG2 VAL 40 -6.449 -4.597 3.745
312 H ILE 41 H ILE 41 -2.953 -5.115 1.955
313 HA ILE 41 HA ILE 41 -1.814 -6.958 3.872
314 HB ILE 41 HB ILE 41 0.385 -6.941 2.761
315 1HG1 ILE 41 1HG1 ILE 41 -0.840 -6.192 0.147
316 2HG1 ILE 41 2HG1 ILE 41 -0.479 -4.890 1.262
317 1HG2 ILE 41 1HG2 ILE 41 -1.446 -8.760 2.532
318 2HG2 ILE 41 2HG2 ILE 41 -1.598 -8.167 0.861
319 3HG2 ILE 41 3HG2 ILE 41 -0.040 -8.802 1.441
320 1HD1 ILE 41 1HD1 ILE 41 1.409 -5.501 -0.342
321 2HD1 ILE 41 2HD1 ILE 41 1.859 -5.505 1.380
322 3HD1 ILE 41 3HD1 ILE 41 1.554 -7.042 0.536
323 H ARG 42 H ARG 42 0.381 -5.840 4.701
324 HA ARG 42 HA ARG 42 -0.284 -3.013 4.925
325 1HB ARG 42 1HB ARG 42 -0.663 -4.221 7.057
326 2HB ARG 42 2HB ARG 42 0.958 -4.882 7.005
327 1HG ARG 42 1HG ARG 42 1.919 -2.591 7.162
328 2HG ARG 42 2HG ARG 42 0.308 -1.900 7.153
329 1HD ARG 42 1HD ARG 42 0.912 -1.978 9.463
330 2HD ARG 42 2HD ARG 42 -0.177 -3.335 9.251
331 HE ARG 42 HE ARG 42 2.495 -4.236 8.754
332 1HH1 ARG 42 1HH1 ARG 42 0.466 -3.153 11.448
333 2HH1 ARG 42 2HH1 ARG 42 1.336 -4.065 12.635
334 1HH2 ARG 42 1HH2 ARG 42 3.203 -5.402 11.948
335 H ARG 43 H ARG 43 1.187 -1.985 3.573
336 HA ARG 43 HA ARG 43 3.890 -3.014 3.576
337 1HB ARG 43 1HB ARG 43 2.160 -1.838 1.583
338 2HB ARG 43 2HB ARG 43 3.547 -0.782 1.762
339 1HG ARG 43 1HG ARG 43 4.354 -3.610 1.731
340 2HG ARG 43 2HG ARG 43 3.443 -3.193 0.293
341 1HD ARG 43 1HD ARG 43 4.992 -1.486 -0.348
342 2HD ARG 43 2HD ARG 43 5.689 -1.385 1.258
343 HE ARG 43 HE ARG 43 6.115 -4.038 0.370
344 1HH1 ARG 43 1HH1 ARG 43 7.102 -0.774 -0.593
345 2HH1 ARG 43 2HH1 ARG 43 8.601 -1.298 -1.285
346 1HH2 ARG 43 1HH2 ARG 43 9.162 -3.627 -1.244
347 H ASN 44 H ASN 44 5.710 -1.656 4.099
348 HA ASN 44 HA ASN 44 4.916 0.780 5.487
349 1HB ASN 44 1HB ASN 44 7.034 0.467 6.814
350 2HB ASN 44 2HB ASN 44 5.931 -0.882 7.000
351 1HD2 ASN 44 1HD2 ASN 44 9.050 0.028 6.367
352 2HD2 ASN 44 2HD2 ASN 44 9.678 -1.421 5.657
353 H VAL 45 H VAL 45 5.491 2.603 4.294
354 HA VAL 45 HA VAL 45 7.972 2.428 2.726
355 HB VAL 45 HB VAL 45 5.343 3.766 2.073
356 1HG1 VAL 45 1HG1 VAL 45 6.781 4.194 -0.149
357 2HG1 VAL 45 2HG1 VAL 45 6.716 5.363 1.192
358 3HG1 VAL 45 3HG1 VAL 45 8.100 4.254 1.043
359 1HG2 VAL 45 1HG2 VAL 45 6.673 1.991 0.117
360 2HG2 VAL 45 2HG2 VAL 45 6.111 1.188 1.603
361 3HG2 VAL 45 3HG2 VAL 45 4.962 2.100 0.596
362 H ARG 46 H ARG 46 9.280 4.346 2.665
363 HA ARG 46 HA ARG 46 8.959 5.863 5.066
364 1HB ARG 46 1HB ARG 46 11.121 6.163 2.927
365 2HB ARG 46 2HB ARG 46 11.212 6.696 4.594
366 1HG ARG 46 1HG ARG 46 11.465 4.506 5.433
367 2HG ARG 46 2HG ARG 46 10.691 3.769 4.044
368 1HD ARG 46 1HD ARG 46 12.911 5.046 2.905
369 2HD ARG 46 2HD ARG 46 13.534 4.486 4.445
370 HE ARG 46 HE ARG 46 12.005 2.382 3.212
371 1HH1 ARG 46 1HH1 ARG 46 15.106 4.067 2.902
372 2HH1 ARG 46 2HH1 ARG 46 15.905 2.719 2.163
373 1HH2 ARG 46 1HH2 ARG 46 14.683 0.693 1.783
374 H GLY 47 H GLY 47 8.384 8.061 5.185
375 1HA GLY 47 1HA GLY 47 8.334 10.228 4.163
376 2HA GLY 47 2HA GLY 47 7.991 9.472 2.620
377 HA PRO 48 HA PRO 48 3.964 10.626 4.291
378 1HB PRO 48 1HB PRO 48 2.985 11.807 2.030
379 2HB PRO 48 2HB PRO 48 3.798 12.697 3.302
380 1HG PRO 48 1HG PRO 48 4.817 11.926 0.636
381 2HG PRO 48 2HG PRO 48 5.427 13.150 1.732
382 1HD PRO 48 1HD PRO 48 6.547 10.550 1.269
383 2HD PRO 48 2HD PRO 48 7.087 11.729 2.447
384 H VAL 49 H VAL 49 1.663 10.455 2.837
385 HA VAL 49 HA VAL 49 1.647 8.253 1.117
386 HB VAL 49 HB VAL 49 2.312 7.159 3.303
387 1HG1 VAL 49 1HG1 VAL 49 -0.589 7.678 4.032
388 2HG1 VAL 49 2HG1 VAL 49 0.614 6.775 4.982
389 3HG1 VAL 49 3HG1 VAL 49 0.803 8.528 4.742
390 1HG2 VAL 49 1HG2 VAL 49 1.428 5.248 2.508
391 2HG2 VAL 49 2HG2 VAL 49 -0.240 5.858 2.622
392 3HG2 VAL 49 3HG2 VAL 49 0.764 6.270 1.212
393 H ARG 50 H ARG 50 -0.525 7.799 0.357
394 HA ARG 50 HA ARG 50 -2.655 9.216 1.595
395 1HB ARG 50 1HB ARG 50 -1.704 11.055 0.267
396 2HB ARG 50 2HB ARG 50 -1.629 10.047 -1.163
397 1HG ARG 50 1HG ARG 50 -3.798 10.479 -1.689
398 2HG ARG 50 2HG ARG 50 -4.344 10.053 -0.079
399 1HD ARG 50 1HD ARG 50 -3.314 12.421 0.586
400 2HD ARG 50 2HD ARG 50 -3.472 12.758 -1.127
401 HE ARG 50 HE ARG 50 -5.932 11.621 -0.203
402 1HH1 ARG 50 1HH1 ARG 50 -4.044 14.602 0.119
403 2HH1 ARG 50 2HH1 ARG 50 -5.431 15.595 0.422
404 1HH2 ARG 50 1HH2 ARG 50 -7.606 14.591 0.463
405 H VAL 51 H VAL 51 -4.713 8.373 0.917
406 HA VAL 51 HA VAL 51 -4.734 5.793 -0.050
407 HB VAL 51 HB VAL 51 -6.860 7.935 0.059
408 1HG1 VAL 51 1HG1 VAL 51 -7.364 4.969 -0.287
409 2HG1 VAL 51 2HG1 VAL 51 -8.537 6.306 -0.362
410 3HG1 VAL 51 3HG1 VAL 51 -7.325 6.112 -1.651
411 1HG2 VAL 51 1HG2 VAL 51 -6.432 7.506 2.260
412 2HG2 VAL 51 2HG2 VAL 51 -7.565 6.170 1.945
413 3HG2 VAL 51 3HG2 VAL 51 -5.809 5.870 1.938
414 H GLY 52 H GLY 52 -4.523 4.899 -2.039
415 1HA GLY 52 1HA GLY 52 -5.311 4.991 -4.350
416 2HA GLY 52 2HA GLY 52 -4.892 6.692 -4.366
417 H ASP 53 H ASP 53 -2.416 6.112 -2.628
418 HA ASP 53 HA ASP 53 -0.548 6.138 -4.538
419 1HB ASP 53 1HB ASP 53 0.096 6.588 -2.278
420 2HB ASP 53 2HB ASP 53 -0.512 5.048 -1.706
421 HD2 ASP 53 HD2 ASP 53 3.032 4.966 -3.602
422 H ILE 54 H ILE 54 0.555 4.574 -5.814
423 HA ILE 54 HA ILE 54 -0.383 1.814 -5.473
424 HB ILE 54 HB ILE 54 0.613 3.222 -7.953
425 1HG1 ILE 54 1HG1 ILE 54 -1.683 3.875 -6.967
426 2HG1 ILE 54 2HG1 ILE 54 -1.580 3.463 -8.667
427 1HG2 ILE 54 1HG2 ILE 54 -0.459 0.418 -7.545
428 2HG2 ILE 54 2HG2 ILE 54 -0.169 1.185 -9.124
429 3HG2 ILE 54 3HG2 ILE 54 1.192 0.880 -8.020
430 1HD1 ILE 54 1HD1 ILE 54 -2.217 1.326 -6.608
431 2HD1 ILE 54 2HD1 ILE 54 -3.492 2.388 -7.253
432 3HD1 ILE 54 3HD1 ILE 54 -2.574 1.332 -8.352
433 H LEU 55 H LEU 55 1.111 0.139 -5.314
434 HA LEU 55 HA LEU 55 3.904 0.740 -5.709
435 1HB LEU 55 1HB LEU 55 2.683 0.362 -3.004
436 2HB LEU 55 2HB LEU 55 4.288 -0.265 -3.317
437 HG LEU 55 HG LEU 55 3.439 2.627 -3.637
438 1HD1 LEU 55 1HD1 LEU 55 5.304 1.500 -1.545
439 2HD1 LEU 55 2HD1 LEU 55 4.558 3.114 -1.620
440 3HD1 LEU 55 3HD1 LEU 55 3.554 1.685 -1.277
441 1HD2 LEU 55 1HD2 LEU 55 6.084 1.235 -4.079
442 2HD2 LEU 55 2HD2 LEU 55 5.162 2.262 -5.204
443 3HD2 LEU 55 3HD2 LEU 55 5.953 2.985 -3.782
444 H ILE 56 H ILE 56 4.606 -0.935 -6.909
445 HA ILE 56 HA ILE 56 3.145 -3.423 -6.783
446 HB ILE 56 HB ILE 56 5.565 -2.918 -8.475
447 1HG1 ILE 56 1HG1 ILE 56 2.867 -1.619 -8.740
448 2HG1 ILE 56 2HG1 ILE 56 4.463 -0.919 -8.937
449 1HG2 ILE 56 1HG2 ILE 56 4.664 -4.512 -9.906
450 2HG2 ILE 56 2HG2 ILE 56 4.260 -5.144 -8.292
451 3HG2 ILE 56 3HG2 ILE 56 3.018 -4.316 -9.260
452 1HD1 ILE 56 1HD1 ILE 56 4.763 -2.466 -10.972
453 2HD1 ILE 56 2HD1 ILE 56 3.024 -2.820 -10.830
454 3HD1 ILE 56 3HD1 ILE 56 3.570 -1.156 -11.153
455 H LEU 57 H LEU 57 4.127 -5.491 -6.325
456 HA LEU 57 HA LEU 57 6.776 -5.558 -5.265
457 1HB LEU 57 1HB LEU 57 6.251 -6.127 -3.004
458 2HB LEU 57 2HB LEU 57 5.606 -4.542 -3.381
459 HG LEU 57 HG LEU 57 3.557 -6.480 -3.885
460 1HD1 LEU 57 1HD1 LEU 57 4.674 -8.021 -2.423
461 2HD1 LEU 57 2HD1 LEU 57 4.908 -6.760 -1.189
462 3HD1 LEU 57 3HD1 LEU 57 3.270 -7.344 -1.564
463 1HD2 LEU 57 1HD2 LEU 57 2.341 -5.174 -2.190
464 2HD2 LEU 57 2HD2 LEU 57 3.854 -4.340 -1.759
465 3HD2 LEU 57 3HD2 LEU 57 3.158 -4.137 -3.385
466 H ARG 58 H ARG 58 7.518 -7.404 -6.148
467 HA ARG 58 HA ARG 58 5.680 -9.367 -6.994
468 1HB ARG 58 1HB ARG 58 8.147 -8.626 -7.854
469 2HB ARG 58 2HB ARG 58 8.631 -9.965 -6.832
470 1HG ARG 58 1HG ARG 58 6.349 -10.362 -8.783
471 2HG ARG 58 2HG ARG 58 7.994 -10.372 -9.389
472 1HD ARG 58 1HD ARG 58 7.568 -12.021 -6.937
473 2HD ARG 58 2HD ARG 58 6.699 -12.582 -8.353
474 HE ARG 58 HE ARG 58 9.514 -11.921 -8.877
475 1HH1 ARG 58 1HH1 ARG 58 7.256 -14.471 -7.900
476 2HH1 ARG 58 2HH1 ARG 58 8.318 -15.759 -8.360
477 1HH2 ARG 58 1HH2 ARG 58 10.464 -15.236 -9.290
478 H GLU 59 H GLU 59 4.745 -9.775 -4.755
479 HA GLU 59 HA GLU 59 5.644 -12.156 -3.752
480 1HB GLU 59 1HB GLU 59 7.585 -10.989 -2.843
481 2HB GLU 59 2HB GLU 59 6.572 -9.757 -2.118
482 1HG GLU 59 1HG GLU 59 6.137 -11.045 -0.290
483 2HG GLU 59 2HG GLU 59 5.735 -12.441 -1.270
484 HE2 GLU 59 HE2 GLU 59 8.135 -11.676 0.999
485 H THR 60 H THR 60 4.139 -13.016 -2.216
486 HA THR 60 HA THR 60 2.468 -11.764 -0.540
487 HB THR 60 HB THR 60 1.477 -10.253 -2.048
488 HG1 THR 60 HG1 THR 60 -0.277 -11.499 -1.271
489 1HG2 THR 60 1HG2 THR 60 0.640 -11.667 -4.333
490 2HG2 THR 60 2HG2 THR 60 1.996 -10.517 -4.267
491 3HG2 THR 60 3HG2 THR 60 2.295 -12.258 -4.056
492 H GLU 61 H GLU 61 2.759 -14.154 -3.167
493 HA GLU 61 HA GLU 61 0.767 -15.836 -2.127
494 1HB GLU 61 1HB GLU 61 1.891 -17.556 -3.654
495 2HB GLU 61 2HB GLU 61 1.322 -16.094 -4.436
496 1HG GLU 61 1HG GLU 61 3.423 -15.514 -5.082
497 2HG GLU 61 2HG GLU 61 4.054 -15.720 -3.460
498 HE2 GLU 61 HE2 GLU 61 4.852 -18.460 -6.135
499 H ARG 62 H ARG 62 1.074 -17.955 -1.075
500 HA ARG 62 HA ARG 62 3.564 -18.007 0.434
501 1HB ARG 62 1HB ARG 62 2.275 -18.961 2.341
502 2HB ARG 62 2HB ARG 62 1.656 -17.385 1.892
503 1HG ARG 62 1HG ARG 62 0.271 -19.343 0.294
504 2HG ARG 62 2HG ARG 62 0.255 -19.912 1.951
505 1HD ARG 62 1HD ARG 62 -0.336 -17.238 2.322
506 2HD ARG 62 2HD ARG 62 -1.073 -17.521 0.757
507 HE ARG 62 HE ARG 62 -2.047 -18.491 3.284
508 1HH1 ARG 62 1HH1 ARG 62 -1.718 -19.495 -0.098
509 2HH1 ARG 62 2HH1 ARG 62 -3.064 -20.584 -0.035
510 1HH2 ARG 62 1HH2 ARG 62 -4.288 -20.822 2.012
511 H GLU 63 H GLU 63 4.555 -20.079 0.717
512 HA GLU 63 HA GLU 63 3.985 -21.930 -1.281
513 1HB GLU 63 1HB GLU 63 5.960 -21.555 0.837
514 2HB GLU 63 2HB GLU 63 5.514 -23.245 0.712
515 1HG GLU 63 1HG GLU 63 6.563 -23.492 -1.301
516 2HG GLU 63 2HG GLU 63 5.876 -22.012 -1.940
517 HE2 GLU 63 HE2 GLU 63 9.556 -21.966 -0.450
518 H ALA 64 H ALA 64 2.420 -23.479 -1.374
519 HA ALA 64 HA ALA 64 1.720 -24.930 1.009
520 1HB ALA 64 1HB ALA 64 0.234 -22.615 0.334
521 2HB ALA 64 2HB ALA 64 -0.758 -24.002 -0.177
522 3HB ALA 64 3HB ALA 64 -0.202 -23.878 1.510
523 H ARG 65 H ARG 65 0.152 -24.163 -2.182
524 HA ARG 65 HA ARG 65 0.013 -25.379 -4.000
525 1HB ARG 65 1HB ARG 65 2.216 -26.587 -2.979
526 2HB ARG 65 2HB ARG 65 1.097 -27.924 -2.795
527 1HG ARG 65 1HG ARG 65 1.222 -28.394 -5.009
528 2HG ARG 65 2HG ARG 65 0.703 -26.772 -5.421
529 1HD ARG 65 1HD ARG 65 2.799 -26.598 -6.346
530 2HD ARG 65 2HD ARG 65 3.296 -26.252 -4.701
531 HE ARG 65 HE ARG 65 3.248 -29.094 -5.054
532 1HH1 ARG 65 1HH1 ARG 65 5.114 -26.269 -6.099
533 2HH1 ARG 65 2HH1 ARG 65 6.578 -27.166 -6.328
534 1HH2 ARG 65 1HH2 ARG 65 6.594 -29.520 -5.885
535 H GLU 66 H GLU 66 -0.385 -27.428 -1.016
536 HA GLU 66 HA GLU 66 -2.090 -28.513 -0.216
537 1HB GLU 66 1HB GLU 66 -3.429 -26.506 -1.922
538 2HB GLU 66 2HB GLU 66 -4.396 -27.947 -1.684
539 1HG GLU 66 1HG GLU 66 -4.763 -27.488 0.528
540 2HG GLU 66 2HG GLU 66 -3.093 -27.033 0.809
541 HE2 GLU 66 HE2 GLU 66 -5.875 -24.351 0.399
542 H ILE 67 H ILE 67 -0.500 -30.003 -1.768
543 HA ILE 67 HA ILE 67 -1.945 -31.213 -3.927
544 HB ILE 67 HB ILE 67 0.637 -30.841 -3.507
545 1HG1 ILE 67 1HG1 ILE 67 0.211 -33.428 -4.837
546 2HG1 ILE 67 2HG1 ILE 67 -0.911 -32.186 -5.355
547 1HG2 ILE 67 1HG2 ILE 67 0.654 -32.266 -1.467
548 2HG2 ILE 67 2HG2 ILE 67 0.253 -33.669 -2.488
549 3HG2 ILE 67 3HG2 ILE 67 1.790 -32.802 -2.729
550 1HD1 ILE 67 1HD1 ILE 67 0.921 -31.850 -6.797
551 2HD1 ILE 67 2HD1 ILE 67 1.221 -30.649 -5.519
552 3HD1 ILE 67 3HD1 ILE 67 2.113 -32.189 -5.519
553 H LYS 68 H LYS 68 -2.234 -33.675 -3.960
554 HA LYS 68 HA LYS 68 -2.450 -35.066 -1.535
555 1HB LYS 68 1HB LYS 68 -4.566 -33.253 -1.926
556 2HB LYS 68 2HB LYS 68 -5.220 -34.818 -2.360
557 1HG LYS 68 1HG LYS 68 -4.969 -35.685 -0.218
558 2HG LYS 68 2HG LYS 68 -3.533 -34.738 0.119
559 1HD LYS 68 1HD LYS 68 -4.930 -32.682 0.351
560 2HD LYS 68 2HD LYS 68 -6.371 -33.611 -0.013
561 1HE LYS 68 1HE LYS 68 -5.063 -35.033 2.083
562 2HE LYS 68 2HE LYS 68 -4.954 -33.341 2.528
563 1HZ LYS 68 1HZ LYS 68 -7.037 -34.250 3.315
564 2HZ LYS 68 2HZ LYS 68 -7.390 -33.185 2.135
565 H SER 69 H SER 69 -1.285 -35.397 -4.137
566 HA SER 69 HA SER 69 -2.776 -36.754 -5.939
567 1HB SER 69 1HB SER 69 0.076 -36.558 -5.226
568 2HB SER 69 2HB SER 69 -0.317 -38.104 -5.951
569 HG SER 69 HG SER 69 -0.681 -37.166 -7.860
570 H ARG 70 H ARG 70 -0.735 -38.258 -3.316
571 HA ARG 70 HA ARG 70 -0.742 -40.298 -2.526
572 1HB ARG 70 1HB ARG 70 -2.765 -38.926 -1.444
573 2HB ARG 70 2HB ARG 70 -3.757 -40.122 -2.253
574 1HG ARG 70 1HG ARG 70 -3.139 -41.800 -0.816
575 2HG ARG 70 2HG ARG 70 -1.460 -41.300 -0.792
576 1HD ARG 70 1HD ARG 70 -2.160 -39.340 0.706
577 2HD ARG 70 2HD ARG 70 -3.754 -40.062 0.800
578 HE ARG 70 HE ARG 70 -1.945 -42.119 1.465
579 1HH1 ARG 70 1HH1 ARG 70 -2.835 -38.948 2.770
580 2HH1 ARG 70 2HH1 ARG 70 -2.442 -39.370 4.402
581 1HH2 ARG 70 1HH2 ARG 70 -1.616 -41.569 4.879
582 H ARG 71 H ARG 71 -0.206 -41.663 -4.314
583 HA ARG 71 HA ARG 71 -2.429 -42.614 -5.890
584 1HB ARG 71 1HB ARG 71 0.168 -41.945 -6.570
585 2HB ARG 71 2HB ARG 71 0.315 -43.684 -6.409
586 1HG ARG 71 1HG ARG 71 -0.284 -43.298 -8.701
587 2HG ARG 71 2HG ARG 71 -1.737 -43.904 -7.930
588 1HD ARG 71 1HD ARG 71 -1.457 -40.945 -7.793
589 2HD ARG 71 2HD ARG 71 -1.582 -41.566 -9.426
590 HE ARG 71 HE ARG 71 -3.568 -42.849 -7.804
591 1HH1 ARG 71 1HH1 ARG 71 -2.853 -39.683 -9.225
592 2HH1 ARG 71 2HH1 ARG 71 -4.517 -39.209 -9.315
593 1HH2 ARG 71 1HH2 ARG 71 -6.210 -40.719 -8.543
Start of MODEL 3
1 1H MET 1 1H MET 1 5.832 -8.448 -25.067
2 HA MET 1 HA MET 1 3.797 -7.836 -24.296
3 1HB MET 1 1HB MET 1 4.938 -10.082 -22.570
4 2HB MET 1 2HB MET 1 3.261 -9.606 -22.403
5 1HG MET 1 1HG MET 1 4.274 -10.123 -25.194
6 2HG MET 1 2HG MET 1 4.047 -11.514 -24.153
7 1HE MET 1 1HE MET 1 2.932 -9.996 -26.749
8 2HE MET 1 2HE MET 1 1.184 -10.314 -26.850
9 3HE MET 1 3HE MET 1 1.769 -8.733 -26.281
10 H ALA 2 H ALA 2 2.360 -7.554 -22.148
11 HA ALA 2 HA ALA 2 3.643 -5.417 -20.708
12 1HB ALA 2 1HB ALA 2 1.407 -5.009 -21.409
13 2HB ALA 2 2HB ALA 2 0.847 -6.591 -20.815
14 3HB ALA 2 3HB ALA 2 1.297 -5.315 -19.658
15 H GLU 3 H GLU 3 1.986 -8.545 -19.868
16 HA GLU 3 HA GLU 3 2.263 -8.619 -17.260
17 1HB GLU 3 1HB GLU 3 3.032 -11.175 -17.755
18 2HB GLU 3 2HB GLU 3 1.391 -10.607 -17.987
19 1HG GLU 3 1HG GLU 3 1.570 -10.573 -20.307
20 2HG GLU 3 2HG GLU 3 3.281 -10.190 -20.283
21 HE2 GLU 3 HE2 GLU 3 4.016 -13.481 -20.901
22 H ASP 4 H ASP 4 3.874 -8.164 -15.829
23 HA ASP 4 HA ASP 4 6.528 -9.102 -16.524
24 1HB ASP 4 1HB ASP 4 5.673 -6.331 -16.387
25 2HB ASP 4 2HB ASP 4 6.794 -6.633 -15.075
26 HD2 ASP 4 HD2 ASP 4 8.009 -4.982 -16.889
27 H GLU 5 H GLU 5 4.073 -9.622 -14.602
28 HA GLU 5 HA GLU 5 3.789 -10.383 -12.586
29 1HB GLU 5 1HB GLU 5 6.633 -10.717 -12.987
30 2HB GLU 5 2HB GLU 5 6.357 -10.271 -11.314
31 1HG GLU 5 1HG GLU 5 4.375 -12.092 -11.541
32 2HG GLU 5 2HG GLU 5 5.411 -12.706 -12.814
33 HE2 GLU 5 HE2 GLU 5 6.311 -14.356 -11.885
34 H GLY 6 H GLY 6 4.350 -7.343 -13.352
35 1HA GLY 6 1HA GLY 6 5.021 -6.148 -10.823
36 2HA GLY 6 2HA GLY 6 4.498 -5.342 -12.288
37 H TYR 7 H TYR 7 3.366 -7.232 -9.442
38 HA TYR 7 HA TYR 7 0.609 -6.805 -9.980
39 1HB TYR 7 1HB TYR 7 2.346 -7.539 -7.547
40 2HB TYR 7 2HB TYR 7 0.597 -7.530 -7.454
41 HD1 TYR 7 HD1 TYR 7 -0.544 -8.917 -9.521
42 HD2 TYR 7 HD2 TYR 7 3.344 -9.601 -7.870
43 HE1 TYR 7 HE1 TYR 7 -0.593 -11.311 -10.377
44 HE2 TYR 7 HE2 TYR 7 3.281 -11.992 -8.732
45 HH TYR 7 HH TYR 7 2.241 -13.339 -10.224
46 HA PRO 8 HA PRO 8 0.662 -2.682 -8.455
47 1HB PRO 8 1HB PRO 8 -1.815 -1.975 -9.364
48 2HB PRO 8 2HB PRO 8 -0.364 -1.840 -10.336
49 1HG PRO 8 1HG PRO 8 -2.531 -3.842 -10.512
50 2HG PRO 8 2HG PRO 8 -1.318 -3.429 -11.707
51 1HD PRO 8 1HD PRO 8 -1.340 -5.744 -10.012
52 2HD PRO 8 2HD PRO 8 -0.071 -5.271 -11.125
53 H ALA 9 H ALA 9 -0.001 -1.597 -6.626
54 HA ALA 9 HA ALA 9 -2.146 -2.994 -5.191
55 1HB ALA 9 1HB ALA 9 0.195 -3.634 -4.413
56 2HB ALA 9 2HB ALA 9 0.396 -1.941 -3.901
57 3HB ALA 9 3HB ALA 9 -0.871 -2.950 -3.162
58 H GLU 10 H GLU 10 -3.637 -1.646 -4.218
59 HA GLU 10 HA GLU 10 -3.031 1.196 -4.479
60 1HB GLU 10 1HB GLU 10 -4.911 0.191 -5.924
61 2HB GLU 10 2HB GLU 10 -5.813 -0.042 -4.439
62 1HG GLU 10 1HG GLU 10 -5.109 2.566 -4.097
63 2HG GLU 10 2HG GLU 10 -5.092 2.511 -5.848
64 HE2 GLU 10 HE2 GLU 10 -7.566 3.025 -6.541
65 H VAL 11 H VAL 11 -2.951 2.374 -2.605
66 HA VAL 11 HA VAL 11 -3.026 1.200 -0.131
67 HB VAL 11 HB VAL 11 -3.512 4.064 -0.965
68 1HG1 VAL 11 1HG1 VAL 11 -3.528 4.750 1.191
69 2HG1 VAL 11 2HG1 VAL 11 -4.095 3.093 1.509
70 3HG1 VAL 11 3HG1 VAL 11 -2.373 3.500 1.712
71 1HG2 VAL 11 1HG2 VAL 11 -1.171 4.406 -0.629
72 2HG2 VAL 11 2HG2 VAL 11 -0.968 2.784 0.077
73 3HG2 VAL 11 3HG2 VAL 11 -1.344 2.962 -1.655
74 H ILE 12 H ILE 12 -4.582 0.705 1.378
75 HA ILE 12 HA ILE 12 -7.334 1.377 0.596
76 HB ILE 12 HB ILE 12 -7.940 -0.691 1.877
77 1HG1 ILE 12 1HG1 ILE 12 -5.367 -1.990 1.526
78 2HG1 ILE 12 2HG1 ILE 12 -5.233 -0.633 2.627
79 1HG2 ILE 12 1HG2 ILE 12 -7.654 -0.421 -0.674
80 2HG2 ILE 12 2HG2 ILE 12 -6.163 -1.368 -0.458
81 3HG2 ILE 12 3HG2 ILE 12 -7.734 -2.063 0.008
82 1HD1 ILE 12 1HD1 ILE 12 -7.513 -2.620 2.899
83 2HD1 ILE 12 2HD1 ILE 12 -5.917 -2.945 3.615
84 3HD1 ILE 12 3HD1 ILE 12 -6.849 -1.518 4.128
85 H GLU 13 H GLU 13 -4.876 1.191 3.182
86 HA GLU 13 HA GLU 13 -6.242 3.227 4.584
87 1HB GLU 13 1HB GLU 13 -7.594 1.364 5.405
88 2HB GLU 13 2HB GLU 13 -6.162 0.432 5.797
89 1HG GLU 13 1HG GLU 13 -7.100 1.484 7.832
90 2HG GLU 13 2HG GLU 13 -5.496 2.109 7.498
91 HE2 GLU 13 HE2 GLU 13 -8.847 2.849 7.065
92 H ILE 14 H ILE 14 -4.845 4.283 6.085
93 HA ILE 14 HA ILE 14 -2.081 3.368 5.881
94 HB ILE 14 HB ILE 14 -3.218 6.028 6.749
95 1HG1 ILE 14 1HG1 ILE 14 -1.766 5.572 4.162
96 2HG1 ILE 14 2HG1 ILE 14 -3.465 5.160 4.271
97 1HG2 ILE 14 1HG2 ILE 14 -0.488 6.109 5.856
98 2HG2 ILE 14 2HG2 ILE 14 -1.182 6.593 7.422
99 3HG2 ILE 14 3HG2 ILE 14 -0.657 4.912 7.163
100 1HD1 ILE 14 1HD1 ILE 14 -3.551 7.614 5.443
101 2HD1 ILE 14 2HD1 ILE 14 -2.149 7.843 4.371
102 3HD1 ILE 14 3HD1 ILE 14 -3.725 7.373 3.688
103 H ILE 15 H ILE 15 -0.815 2.879 7.681
104 HA ILE 15 HA ILE 15 -2.371 2.401 10.098
105 HB ILE 15 HB ILE 15 0.338 1.418 9.197
106 1HG1 ILE 15 1HG1 ILE 15 -2.069 -0.323 9.605
107 2HG1 ILE 15 2HG1 ILE 15 -1.948 0.620 8.133
108 1HG2 ILE 15 1HG2 ILE 15 0.768 0.901 11.309
109 2HG2 ILE 15 2HG2 ILE 15 -0.812 1.534 11.829
110 3HG2 ILE 15 3HG2 ILE 15 -0.660 -0.162 11.311
111 1HD1 ILE 15 1HD1 ILE 15 0.607 -0.679 8.766
112 2HD1 ILE 15 2HD1 ILE 15 -0.720 -1.858 8.627
113 3HD1 ILE 15 3HD1 ILE 15 -0.362 -0.759 7.274
114 H GLY 16 H GLY 16 1.132 3.188 9.718
115 1HA GLY 16 1HA GLY 16 0.988 5.812 10.711
116 2HA GLY 16 2HA GLY 16 1.234 4.722 12.060
117 H ARG 17 H ARG 17 3.339 6.066 12.114
118 HA ARG 17 HA ARG 17 5.216 5.065 10.149
119 1HB ARG 17 1HB ARG 17 5.343 7.372 12.147
120 2HB ARG 17 2HB ARG 17 6.742 6.861 11.223
121 1HG ARG 17 1HG ARG 17 5.035 7.091 9.158
122 2HG ARG 17 2HG ARG 17 4.202 8.174 10.255
123 1HD ARG 17 1HD ARG 17 7.180 8.530 9.980
124 2HD ARG 17 2HD ARG 17 6.189 9.020 8.621
125 HE ARG 17 HE ARG 17 6.368 10.354 11.196
126 1HH1 ARG 17 1HH1 ARG 17 4.170 9.735 8.487
127 2HH1 ARG 17 2HH1 ARG 17 3.218 11.154 8.774
128 1HH2 ARG 17 1HH2 ARG 17 3.791 12.604 10.594
129 H THR 18 H THR 18 7.566 4.715 11.158
130 HA THR 18 HA THR 18 7.707 3.925 13.878
131 HB THR 18 HB THR 18 6.324 2.038 13.060
132 HG1 THR 18 HG1 THR 18 9.162 1.319 13.166
133 1HG2 THR 18 1HG2 THR 18 8.648 1.543 11.126
134 2HG2 THR 18 2HG2 THR 18 7.238 0.484 11.360
135 3HG2 THR 18 3HG2 THR 18 7.028 2.095 10.636
136 H GLY 19 H GLY 19 9.157 5.756 12.408
137 1HA GLY 19 1HA GLY 19 11.723 4.330 12.026
138 2HA GLY 19 2HA GLY 19 11.221 5.711 11.072
139 H THR 20 H THR 20 11.158 4.948 14.633
140 HA THR 20 HA THR 20 11.974 6.041 16.389
141 HB THR 20 HB THR 20 13.820 7.379 14.342
142 HG1 THR 20 HG1 THR 20 13.657 4.936 14.468
143 1HG2 THR 20 1HG2 THR 20 15.368 7.634 16.193
144 2HG2 THR 20 2HG2 THR 20 13.816 8.299 16.757
145 3HG2 THR 20 3HG2 THR 20 14.329 6.674 17.272
146 H THR 21 H THR 21 12.467 8.744 14.058
147 HA THR 21 HA THR 21 10.683 10.336 15.728
148 HB THR 21 HB THR 21 12.881 10.832 13.702
149 HG1 THR 21 HG1 THR 21 13.229 10.742 16.046
150 1HG2 THR 21 1HG2 THR 21 10.849 12.901 14.695
151 2HG2 THR 21 2HG2 THR 21 12.343 13.264 13.799
152 3HG2 THR 21 3HG2 THR 21 11.023 12.371 13.005
153 H GLY 22 H GLY 22 10.757 8.641 12.660
154 1HA GLY 22 1HA GLY 22 8.327 8.313 11.975
155 2HA GLY 22 2HA GLY 22 8.308 10.059 11.821
156 H ASP 23 H ASP 23 10.917 7.668 11.016
157 HA ASP 23 HA ASP 23 11.159 8.951 8.461
158 1HB ASP 23 1HB ASP 23 12.703 6.629 9.710
159 2HB ASP 23 2HB ASP 23 13.134 7.418 8.205
160 HD2 ASP 23 HD2 ASP 23 15.086 9.577 9.552
161 H VAL 24 H VAL 24 9.686 6.155 9.968
162 HA VAL 24 HA VAL 24 9.410 4.823 7.369
163 HB VAL 24 HB VAL 24 9.012 3.793 10.185
164 1HG1 VAL 24 1HG1 VAL 24 8.827 1.574 9.134
165 2HG1 VAL 24 2HG1 VAL 24 7.533 2.669 8.591
166 3HG1 VAL 24 3HG1 VAL 24 8.918 2.329 7.525
167 1HG2 VAL 24 1HG2 VAL 24 11.281 3.812 10.119
168 2HG2 VAL 24 2HG2 VAL 24 11.040 2.316 9.184
169 3HG2 VAL 24 3HG2 VAL 24 11.341 3.853 8.340
170 H THR 25 H THR 25 7.303 4.156 6.653
171 HA THR 25 HA THR 25 5.045 5.218 8.166
172 HB THR 25 HB THR 25 5.842 6.022 5.323
173 HG1 THR 25 HG1 THR 25 5.710 8.113 6.451
174 1HG2 THR 25 1HG2 THR 25 3.183 5.895 6.639
175 2HG2 THR 25 2HG2 THR 25 3.622 7.530 6.091
176 3HG2 THR 25 3HG2 THR 25 3.580 6.183 4.929
177 H GLN 26 H GLN 26 4.211 3.220 8.624
178 HA GLN 26 HA GLN 26 4.111 1.253 6.579
179 1HB GLN 26 1HB GLN 26 3.872 1.327 9.420
180 2HB GLN 26 2HB GLN 26 2.356 0.681 8.824
181 1HG GLN 26 1HG GLN 26 4.153 -0.685 7.235
182 2HG GLN 26 2HG GLN 26 5.098 -0.491 8.698
183 1HE2 GLN 26 1HE2 GLN 26 4.495 -1.475 10.587
184 2HE2 GLN 26 2HE2 GLN 26 3.279 -2.703 10.693
185 H VAL 27 H VAL 27 2.306 0.553 5.370
186 HA VAL 27 HA VAL 27 -0.264 1.748 5.893
187 HB VAL 27 HB VAL 27 0.754 3.518 4.636
188 1HG1 VAL 27 1HG1 VAL 27 1.264 2.563 2.077
189 2HG1 VAL 27 2HG1 VAL 27 2.479 3.007 3.299
190 3HG1 VAL 27 3HG1 VAL 27 1.956 1.312 3.137
191 1HG2 VAL 27 1HG2 VAL 27 -1.634 2.562 4.093
192 2HG2 VAL 27 2HG2 VAL 27 -0.919 3.829 3.068
193 3HG2 VAL 27 3HG2 VAL 27 -0.888 2.132 2.535
194 H LYS 28 H LYS 28 -1.980 0.612 4.801
195 HA LYS 28 HA LYS 28 -1.113 -2.039 3.960
196 1HB LYS 28 1HB LYS 28 -3.451 -0.910 5.340
197 2HB LYS 28 2HB LYS 28 -3.869 -2.075 4.100
198 1HG LYS 28 1HG LYS 28 -2.129 -3.653 5.111
199 2HG LYS 28 2HG LYS 28 -1.942 -2.511 6.427
200 1HD LYS 28 1HD LYS 28 -4.642 -3.701 5.650
201 2HD LYS 28 2HD LYS 28 -3.588 -4.442 6.838
202 1HE LYS 28 1HE LYS 28 -4.485 -1.534 7.054
203 2HE LYS 28 2HE LYS 28 -5.413 -2.850 7.743
204 1HZ LYS 28 1HZ LYS 28 -4.021 -2.273 9.485
205 2HZ LYS 28 2HZ LYS 28 -3.126 -3.461 8.821
206 H VAL 29 H VAL 29 -1.315 -2.794 1.890
207 HA VAL 29 HA VAL 29 -2.699 -1.005 0.012
208 HB VAL 29 HB VAL 29 -1.015 -1.474 -1.624
209 1HG1 VAL 29 1HG1 VAL 29 -0.003 0.308 -0.730
210 2HG1 VAL 29 2HG1 VAL 29 -0.407 -0.209 0.925
211 3HG1 VAL 29 3HG1 VAL 29 1.062 -0.826 0.135
212 1HG2 VAL 29 1HG2 VAL 29 0.274 -3.266 0.463
213 2HG2 VAL 29 2HG2 VAL 29 -0.493 -3.784 -1.058
214 3HG2 VAL 29 3HG2 VAL 29 1.000 -2.816 -1.098
215 H ARG 30 H ARG 30 -4.029 -1.987 -1.530
216 HA ARG 30 HA ARG 30 -4.437 -4.817 -1.018
217 1HB ARG 30 1HB ARG 30 -6.430 -3.450 -0.599
218 2HB ARG 30 2HB ARG 30 -6.285 -2.666 -2.159
219 1HG ARG 30 1HG ARG 30 -6.949 -4.616 -3.350
220 2HG ARG 30 2HG ARG 30 -6.566 -5.683 -2.013
221 1HD ARG 30 1HD ARG 30 -8.913 -5.589 -1.883
222 2HD ARG 30 2HD ARG 30 -8.452 -4.360 -0.722
223 HE ARG 30 HE ARG 30 -8.839 -3.396 -3.488
224 1HH1 ARG 30 1HH1 ARG 30 -10.282 -3.842 -0.283
225 2HH1 ARG 30 2HH1 ARG 30 -11.528 -2.667 -0.544
226 1HH2 ARG 30 1HH2 ARG 30 -11.627 -1.507 -2.639
227 H ILE 31 H ILE 31 -4.691 -6.287 -2.843
228 HA ILE 31 HA ILE 31 -3.104 -5.526 -5.090
229 HB ILE 31 HB ILE 31 -4.558 -8.024 -4.260
230 1HG1 ILE 31 1HG1 ILE 31 -2.279 -7.116 -3.287
231 2HG1 ILE 31 2HG1 ILE 31 -2.527 -8.824 -3.594
232 1HG2 ILE 31 1HG2 ILE 31 -3.140 -8.975 -6.279
233 2HG2 ILE 31 2HG2 ILE 31 -4.788 -8.344 -6.510
234 3HG2 ILE 31 3HG2 ILE 31 -3.381 -7.331 -6.917
235 1HD1 ILE 31 1HD1 ILE 31 -1.473 -7.167 -5.871
236 2HD1 ILE 31 2HD1 ILE 31 -0.368 -7.516 -4.521
237 3HD1 ILE 31 3HD1 ILE 31 -1.110 -8.854 -5.431
238 H LEU 32 H LEU 32 -4.009 -3.997 -6.415
239 HA LEU 32 HA LEU 32 -6.701 -3.679 -6.894
240 1HB LEU 32 1HB LEU 32 -4.251 -2.573 -7.767
241 2HB LEU 32 2HB LEU 32 -5.157 -2.976 -9.211
242 HG LEU 32 HG LEU 32 -6.053 -1.177 -6.946
243 1HD1 LEU 32 1HD1 LEU 32 -4.831 0.285 -8.135
244 2HD1 LEU 32 2HD1 LEU 32 -4.828 -0.736 -9.594
245 3HD1 LEU 32 3HD1 LEU 32 -6.237 0.288 -9.227
246 1HD2 LEU 32 1HD2 LEU 32 -7.594 -2.460 -9.155
247 2HD2 LEU 32 2HD2 LEU 32 -8.088 -2.041 -7.497
248 3HD2 LEU 32 3HD2 LEU 32 -7.969 -0.771 -8.737
249 H GLU 33 H GLU 33 -4.291 -5.812 -8.487
250 HA GLU 33 HA GLU 33 -6.313 -7.570 -9.275
251 1HB GLU 33 1HB GLU 33 -5.959 -5.419 -11.072
252 2HB GLU 33 2HB GLU 33 -5.099 -6.754 -11.812
253 1HG GLU 33 1HG GLU 33 -7.416 -8.011 -10.953
254 2HG GLU 33 2HG GLU 33 -8.019 -6.411 -11.340
255 HE2 GLU 33 HE2 GLU 33 -6.698 -9.240 -12.624
256 H GLY 34 H GLY 34 -5.281 -9.316 -10.883
257 1HA GLY 34 1HA GLY 34 -3.113 -10.132 -11.673
258 2HA GLY 34 2HA GLY 34 -2.427 -9.601 -10.149
259 H ARG 35 H ARG 35 -5.609 -11.227 -10.706
260 HA ARG 35 HA ARG 35 -6.242 -13.290 -10.288
261 1HB ARG 35 1HB ARG 35 -3.618 -13.852 -10.505
262 2HB ARG 35 2HB ARG 35 -3.742 -14.063 -8.769
263 1HG ARG 35 1HG ARG 35 -5.598 -15.447 -10.759
264 2HG ARG 35 2HG ARG 35 -4.126 -16.178 -10.151
265 1HD ARG 35 1HD ARG 35 -5.142 -15.603 -7.764
266 2HD ARG 35 2HD ARG 35 -6.660 -15.493 -8.633
267 HE ARG 35 HE ARG 35 -6.681 -17.818 -8.763
268 1HH1 ARG 35 1HH1 ARG 35 -3.319 -16.770 -8.371
269 2HH1 ARG 35 2HH1 ARG 35 -2.696 -18.384 -8.281
270 1HH2 ARG 35 1HH2 ARG 35 -4.208 -20.236 -8.445
271 H ASP 36 H ASP 36 -4.144 -11.798 -7.734
272 HA ASP 36 HA ASP 36 -5.964 -12.744 -5.717
273 1HB ASP 36 1HB ASP 36 -3.376 -11.131 -5.599
274 2HB ASP 36 2HB ASP 36 -4.306 -11.547 -4.173
275 HD2 ASP 36 HD2 ASP 36 -1.564 -12.898 -4.421
276 H LYS 37 H LYS 37 -6.859 -10.754 -7.757
277 HA LYS 37 HA LYS 37 -6.725 -8.138 -6.946
278 1HB LYS 37 1HB LYS 37 -8.608 -7.761 -8.349
279 2HB LYS 37 2HB LYS 37 -7.664 -9.038 -9.090
280 1HG LYS 37 1HG LYS 37 -9.290 -10.602 -7.609
281 2HG LYS 37 2HG LYS 37 -10.342 -9.205 -7.717
282 1HD LYS 37 1HD LYS 37 -10.817 -9.596 -9.913
283 2HD LYS 37 2HD LYS 37 -9.132 -9.846 -10.322
284 1HE LYS 37 1HE LYS 37 -10.317 -12.041 -8.698
285 2HE LYS 37 2HE LYS 37 -11.065 -11.836 -10.270
286 1HZ LYS 37 1HZ LYS 37 -9.221 -13.276 -10.583
287 2HZ LYS 37 2HZ LYS 37 -8.717 -11.851 -11.189
288 H GLY 38 H GLY 38 -6.727 -7.951 -4.664
289 1HA GLY 38 1HA GLY 38 -8.755 -7.085 -3.296
290 2HA GLY 38 2HA GLY 38 -9.183 -8.784 -3.286
291 H ARG 39 H ARG 39 -6.332 -9.724 -3.290
292 HA ARG 39 HA ARG 39 -6.000 -10.089 -0.645
293 1HB ARG 39 1HB ARG 39 -4.743 -11.423 -2.227
294 2HB ARG 39 2HB ARG 39 -3.966 -10.011 -2.917
295 1HG ARG 39 1HG ARG 39 -2.530 -9.721 -1.054
296 2HG ARG 39 2HG ARG 39 -3.577 -10.620 0.024
297 1HD ARG 39 1HD ARG 39 -2.001 -11.844 -2.294
298 2HD ARG 39 2HD ARG 39 -1.514 -11.906 -0.611
299 HE ARG 39 HE ARG 39 -4.198 -12.909 -0.853
300 1HH1 ARG 39 1HH1 ARG 39 -0.858 -13.825 -1.598
301 2HH1 ARG 39 2HH1 ARG 39 -1.174 -15.526 -1.512
302 1HH2 ARG 39 1HH2 ARG 39 -3.390 -16.284 -1.007
303 H VAL 40 H VAL 40 -5.477 -8.736 1.046
304 HA VAL 40 HA VAL 40 -4.131 -6.223 0.355
305 HB VAL 40 HB VAL 40 -6.428 -6.162 1.341
306 1HG1 VAL 40 1HG1 VAL 40 -6.447 -7.996 2.848
307 2HG1 VAL 40 2HG1 VAL 40 -4.990 -7.419 3.692
308 3HG1 VAL 40 3HG1 VAL 40 -6.524 -6.533 3.858
309 1HG2 VAL 40 1HG2 VAL 40 -5.101 -4.789 3.479
310 2HG2 VAL 40 2HG2 VAL 40 -4.117 -4.638 2.003
311 3HG2 VAL 40 3HG2 VAL 40 -5.820 -4.120 1.993
312 H ILE 41 H ILE 41 -2.353 -5.495 1.653
313 HA ILE 41 HA ILE 41 -1.319 -7.369 3.605
314 HB ILE 41 HB ILE 41 0.855 -7.534 2.548
315 1HG1 ILE 41 1HG1 ILE 41 -0.290 -6.296 0.043
316 2HG1 ILE 41 2HG1 ILE 41 0.533 -5.329 1.250
317 1HG2 ILE 41 1HG2 ILE 41 0.278 -9.097 0.776
318 2HG2 ILE 41 2HG2 ILE 41 -0.828 -9.283 2.158
319 3HG2 ILE 41 3HG2 ILE 41 -1.370 -8.429 0.694
320 1HD1 ILE 41 1HD1 ILE 41 1.694 -6.984 -0.798
321 2HD1 ILE 41 2HD1 ILE 41 2.529 -5.965 0.400
322 3HD1 ILE 41 3HD1 ILE 41 2.149 -7.662 0.783
323 H ARG 42 H ARG 42 0.873 -6.342 4.502
324 HA ARG 42 HA ARG 42 0.239 -3.523 4.825
325 1HB ARG 42 1HB ARG 42 1.817 -5.395 6.664
326 2HB ARG 42 2HB ARG 42 1.483 -3.708 7.002
327 1HG ARG 42 1HG ARG 42 -0.293 -4.663 8.150
328 2HG ARG 42 2HG ARG 42 -1.057 -4.466 6.585
329 1HD ARG 42 1HD ARG 42 -1.063 -6.738 6.142
330 2HD ARG 42 2HD ARG 42 0.481 -7.007 6.927
331 HE ARG 42 HE ARG 42 -2.156 -7.157 8.177
332 1HH1 ARG 42 1HH1 ARG 42 1.287 -6.606 8.806
333 2HH1 ARG 42 2HH1 ARG 42 1.185 -7.077 10.470
334 1HH2 ARG 42 1HH2 ARG 42 -0.928 -7.762 11.369
335 H ARG 43 H ARG 43 1.515 -2.432 3.316
336 HA ARG 43 HA ARG 43 4.250 -3.331 3.043
337 1HB ARG 43 1HB ARG 43 2.285 -2.212 1.248
338 2HB ARG 43 2HB ARG 43 3.622 -1.082 1.324
339 1HG ARG 43 1HG ARG 43 4.291 -4.007 1.041
340 2HG ARG 43 2HG ARG 43 3.623 -3.193 -0.360
341 1HD ARG 43 1HD ARG 43 5.456 -1.330 0.248
342 2HD ARG 43 2HD ARG 43 6.233 -2.668 1.074
343 HE ARG 43 HE ARG 43 5.484 -3.585 -1.517
344 1HH1 ARG 43 1HH1 ARG 43 7.731 -1.263 -0.063
345 2HH1 ARG 43 2HH1 ARG 43 8.876 -1.371 -1.359
346 1HH2 ARG 43 1HH2 ARG 43 8.421 -2.826 -3.208
347 H ASN 44 H ASN 44 5.953 -2.161 3.918
348 HA ASN 44 HA ASN 44 5.218 0.317 5.223
349 1HB ASN 44 1HB ASN 44 7.290 0.012 6.528
350 2HB ASN 44 2HB ASN 44 6.372 -1.480 6.559
351 1HD2 ASN 44 1HD2 ASN 44 7.124 -3.296 5.594
352 2HD2 ASN 44 2HD2 ASN 44 8.701 -3.460 4.895
353 H VAL 45 H VAL 45 5.981 2.281 4.389
354 HA VAL 45 HA VAL 45 8.306 2.179 2.617
355 HB VAL 45 HB VAL 45 5.776 3.706 1.992
356 1HG1 VAL 45 1HG1 VAL 45 8.022 4.540 1.131
357 2HG1 VAL 45 2HG1 VAL 45 8.094 3.052 0.157
358 3HG1 VAL 45 3HG1 VAL 45 6.775 4.220 -0.099
359 1HG2 VAL 45 1HG2 VAL 45 6.715 1.199 0.579
360 2HG2 VAL 45 2HG2 VAL 45 5.535 1.169 1.912
361 3HG2 VAL 45 3HG2 VAL 45 5.161 2.049 0.411
362 H ARG 46 H ARG 46 9.426 4.267 2.450
363 HA ARG 46 HA ARG 46 9.163 5.661 4.942
364 1HB ARG 46 1HB ARG 46 11.184 6.262 2.740
365 2HB ARG 46 2HB ARG 46 11.344 6.580 4.456
366 1HG ARG 46 1HG ARG 46 11.517 4.198 4.962
367 2HG ARG 46 2HG ARG 46 11.089 3.760 3.320
368 1HD ARG 46 1HD ARG 46 13.335 5.544 3.141
369 2HD ARG 46 2HD ARG 46 13.711 4.384 4.399
370 HE ARG 46 HE ARG 46 12.602 3.209 1.930
371 1HH1 ARG 46 1HH1 ARG 46 15.537 4.079 3.715
372 2HH1 ARG 46 2HH1 ARG 46 16.549 2.988 2.827
373 1HH2 ARG 46 1HH2 ARG 46 15.587 1.642 1.094
374 H GLY 47 H GLY 47 8.321 7.741 5.163
375 1HA GLY 47 1HA GLY 47 8.041 9.946 4.301
376 2HA GLY 47 2HA GLY 47 7.847 9.284 2.691
377 HA PRO 48 HA PRO 48 3.703 9.826 4.575
378 1HB PRO 48 1HB PRO 48 2.738 11.799 2.949
379 2HB PRO 48 2HB PRO 48 3.450 12.114 4.518
380 1HG PRO 48 1HG PRO 48 4.609 12.554 1.834
381 2HG PRO 48 2HG PRO 48 5.106 13.237 3.370
382 1HD PRO 48 1HD PRO 48 6.392 11.108 1.943
383 2HD PRO 48 2HD PRO 48 6.819 11.713 3.531
384 H VAL 49 H VAL 49 1.447 10.074 3.157
385 HA VAL 49 HA VAL 49 1.633 8.807 0.648
386 HB VAL 49 HB VAL 49 2.188 7.006 2.494
387 1HG1 VAL 49 1HG1 VAL 49 -0.759 6.491 2.389
388 2HG1 VAL 49 2HG1 VAL 49 0.446 6.012 3.609
389 3HG1 VAL 49 3HG1 VAL 49 -0.153 7.688 3.560
390 1HG2 VAL 49 1HG2 VAL 49 0.304 5.695 0.757
391 2HG2 VAL 49 2HG2 VAL 49 1.165 6.962 -0.150
392 3HG2 VAL 49 3HG2 VAL 49 2.083 5.693 0.696
393 H ARG 50 H ARG 50 -0.736 7.985 0.034
394 HA ARG 50 HA ARG 50 -2.747 9.335 1.538
395 1HB ARG 50 1HB ARG 50 -2.150 10.169 -1.347
396 2HB ARG 50 2HB ARG 50 -3.547 10.693 -0.427
397 1HG ARG 50 1HG ARG 50 -2.055 11.762 1.260
398 2HG ARG 50 2HG ARG 50 -0.644 11.209 0.378
399 1HD ARG 50 1HD ARG 50 -1.819 12.484 -1.668
400 2HD ARG 50 2HD ARG 50 -2.636 13.353 -0.383
401 HE ARG 50 HE ARG 50 -0.013 13.466 0.430
402 1HH1 ARG 50 1HH1 ARG 50 -1.581 14.229 -2.654
403 2HH1 ARG 50 2HH1 ARG 50 -0.419 15.438 -3.089
404 1HH2 ARG 50 1HH2 ARG 50 1.397 15.910 -1.597
405 H VAL 51 H VAL 51 -4.771 8.326 1.227
406 HA VAL 51 HA VAL 51 -4.883 5.815 0.173
407 HB VAL 51 HB VAL 51 -6.489 6.797 1.729
408 1HG1 VAL 51 1HG1 VAL 51 -6.607 8.933 0.031
409 2HG1 VAL 51 2HG1 VAL 51 -8.127 8.095 -0.360
410 3HG1 VAL 51 3HG1 VAL 51 -7.791 8.594 1.316
411 1HG2 VAL 51 1HG2 VAL 51 -7.047 4.772 0.361
412 2HG2 VAL 51 2HG2 VAL 51 -8.467 5.703 0.899
413 3HG2 VAL 51 3HG2 VAL 51 -7.897 5.840 -0.783
414 H GLY 52 H GLY 52 -5.150 4.898 -1.828
415 1HA GLY 52 1HA GLY 52 -6.120 5.002 -4.015
416 2HA GLY 52 2HA GLY 52 -5.789 6.723 -4.061
417 H ASP 53 H ASP 53 -3.073 6.150 -2.645
418 HA ASP 53 HA ASP 53 -1.454 6.369 -4.747
419 1HB ASP 53 1HB ASP 53 -1.077 6.199 -2.073
420 2HB ASP 53 2HB ASP 53 -0.506 4.599 -2.500
421 HD2 ASP 53 HD2 ASP 53 1.404 4.474 -3.598
422 H ILE 54 H ILE 54 -0.696 4.988 -6.383
423 HA ILE 54 HA ILE 54 -1.338 2.140 -6.060
424 HB ILE 54 HB ILE 54 -1.960 4.025 -8.115
425 1HG1 ILE 54 1HG1 ILE 54 -3.513 2.391 -7.205
426 2HG1 ILE 54 2HG1 ILE 54 -3.350 2.187 -8.938
427 1HG2 ILE 54 1HG2 ILE 54 0.075 3.516 -9.241
428 2HG2 ILE 54 2HG2 ILE 54 -0.127 1.771 -8.959
429 3HG2 ILE 54 3HG2 ILE 54 -1.224 2.625 -10.070
430 1HD1 ILE 54 1HD1 ILE 54 -2.861 0.009 -8.559
431 2HD1 ILE 54 2HD1 ILE 54 -1.327 0.543 -7.830
432 3HD1 ILE 54 3HD1 ILE 54 -2.759 0.289 -6.804
433 H LEU 55 H LEU 55 0.425 0.967 -5.542
434 HA LEU 55 HA LEU 55 2.901 1.634 -6.959
435 1HB LEU 55 1HB LEU 55 2.424 2.031 -4.210
436 2HB LEU 55 2HB LEU 55 3.435 0.604 -4.324
437 HG LEU 55 HG LEU 55 4.314 2.872 -6.004
438 1HD1 LEU 55 1HD1 LEU 55 5.044 3.241 -3.159
439 2HD1 LEU 55 2HD1 LEU 55 4.751 4.439 -4.442
440 3HD1 LEU 55 3HD1 LEU 55 3.377 3.680 -3.601
441 1HD2 LEU 55 1HD2 LEU 55 6.435 2.089 -5.543
442 2HD2 LEU 55 2HD2 LEU 55 5.968 1.426 -3.959
443 3HD2 LEU 55 3HD2 LEU 55 5.468 0.597 -5.453
444 H ILE 56 H ILE 56 4.030 -0.128 -7.749
445 HA ILE 56 HA ILE 56 2.633 -2.670 -7.457
446 HB ILE 56 HB ILE 56 4.885 -2.105 -9.358
447 1HG1 ILE 56 1HG1 ILE 56 2.073 -1.070 -9.484
448 2HG1 ILE 56 2HG1 ILE 56 3.574 -0.278 -9.918
449 1HG2 ILE 56 1HG2 ILE 56 2.468 -3.770 -9.949
450 2HG2 ILE 56 2HG2 ILE 56 4.144 -3.935 -10.523
451 3HG2 ILE 56 3HG2 ILE 56 3.722 -4.416 -8.863
452 1HD1 ILE 56 1HD1 ILE 56 2.939 -0.784 -12.059
453 2HD1 ILE 56 2HD1 ILE 56 3.607 -2.389 -11.679
454 3HD1 ILE 56 3HD1 ILE 56 1.858 -2.095 -11.531
455 H LEU 57 H LEU 57 3.689 -4.590 -6.783
456 HA LEU 57 HA LEU 57 6.401 -4.264 -5.773
457 1HB LEU 57 1HB LEU 57 5.829 -5.194 -3.612
458 2HB LEU 57 2HB LEU 57 5.019 -3.666 -3.894
459 HG LEU 57 HG LEU 57 3.097 -5.404 -4.739
460 1HD1 LEU 57 1HD1 LEU 57 3.383 -6.927 -2.398
461 2HD1 LEU 57 2HD1 LEU 57 3.500 -7.486 -4.084
462 3HD1 LEU 57 3HD1 LEU 57 4.967 -6.987 -3.208
463 1HD2 LEU 57 1HD2 LEU 57 2.990 -3.456 -3.120
464 2HD2 LEU 57 2HD2 LEU 57 1.905 -4.826 -2.782
465 3HD2 LEU 57 3HD2 LEU 57 3.399 -4.619 -1.836
466 H ARG 58 H ARG 58 7.647 -6.024 -6.222
467 HA ARG 58 HA ARG 58 6.255 -8.209 -7.479
468 1HB ARG 58 1HB ARG 58 8.539 -6.894 -8.192
469 2HB ARG 58 2HB ARG 58 9.255 -8.187 -7.249
470 1HG ARG 58 1HG ARG 58 7.140 -8.920 -9.273
471 2HG ARG 58 2HG ARG 58 8.728 -8.478 -9.870
472 1HD ARG 58 1HD ARG 58 9.350 -10.213 -7.773
473 2HD ARG 58 2HD ARG 58 7.878 -10.917 -8.411
474 HE ARG 58 HE ARG 58 9.477 -10.299 -10.654
475 1HH1 ARG 58 1HH1 ARG 58 9.703 -12.403 -7.812
476 2HH1 ARG 58 2HH1 ARG 58 10.708 -13.572 -8.604
477 1HH2 ARG 58 1HH2 ARG 58 11.341 -13.220 -10.888
478 H GLU 59 H GLU 59 8.608 -7.526 -4.813
479 HA GLU 59 HA GLU 59 8.384 -10.275 -3.962
480 1HB GLU 59 1HB GLU 59 10.579 -8.834 -4.074
481 2HB GLU 59 2HB GLU 59 10.019 -8.137 -2.567
482 1HG GLU 59 1HG GLU 59 10.527 -10.018 -1.373
483 2HG GLU 59 2HG GLU 59 9.809 -11.079 -2.568
484 HE2 GLU 59 HE2 GLU 59 13.270 -10.056 -1.792
485 H THR 60 H THR 60 8.118 -10.639 -1.490
486 HA THR 60 HA THR 60 7.056 -10.277 0.456
487 HB THR 60 HB THR 60 7.537 -7.675 -0.403
488 HG1 THR 60 HG1 THR 60 7.285 -7.465 1.824
489 1HG2 THR 60 1HG2 THR 60 5.046 -7.740 -1.258
490 2HG2 THR 60 2HG2 THR 60 4.623 -7.771 0.471
491 3HG2 THR 60 3HG2 THR 60 5.532 -6.395 -0.197
492 H GLU 61 H GLU 61 5.903 -10.951 -2.472
493 HA GLU 61 HA GLU 61 3.113 -10.756 -1.758
494 1HB GLU 61 1HB GLU 61 2.675 -11.474 -4.059
495 2HB GLU 61 2HB GLU 61 3.836 -10.162 -4.064
496 1HG GLU 61 1HG GLU 61 5.702 -11.724 -4.369
497 2HG GLU 61 2HG GLU 61 4.645 -13.104 -4.150
498 HE2 GLU 61 HE2 GLU 61 5.298 -11.236 -7.443
499 H ARG 62 H ARG 62 5.753 -13.132 -2.176
500 HA ARG 62 HA ARG 62 3.886 -15.270 -1.673
501 1HB ARG 62 1HB ARG 62 5.897 -15.271 -3.396
502 2HB ARG 62 2HB ARG 62 6.890 -15.609 -1.993
503 1HG ARG 62 1HG ARG 62 5.851 -17.699 -1.586
504 2HG ARG 62 2HG ARG 62 4.400 -17.266 -2.470
505 1HD ARG 62 1HD ARG 62 5.678 -17.326 -4.617
506 2HD ARG 62 2HD ARG 62 7.143 -17.727 -3.744
507 HE ARG 62 HE ARG 62 5.001 -19.554 -4.431
508 1HH1 ARG 62 1HH1 ARG 62 7.457 -18.921 -1.958
509 2HH1 ARG 62 2HH1 ARG 62 7.547 -20.573 -1.447
510 1HH2 ARG 62 1HH2 ARG 62 6.164 -22.210 -2.519
511 H GLU 63 H GLU 63 3.961 -16.589 0.225
512 HA GLU 63 HA GLU 63 5.918 -15.779 2.212
513 1HB GLU 63 1HB GLU 63 3.489 -14.736 2.445
514 2HB GLU 63 2HB GLU 63 3.068 -16.321 3.061
515 1HG GLU 63 1HG GLU 63 3.692 -14.891 4.942
516 2HG GLU 63 2HG GLU 63 4.909 -16.139 4.759
517 HE2 GLU 63 HE2 GLU 63 7.347 -14.030 4.733
518 H ALA 64 H ALA 64 6.214 -17.439 3.959
519 HA ALA 64 HA ALA 64 4.979 -19.936 3.849
520 1HB ALA 64 1HB ALA 64 6.519 -21.297 2.676
521 2HB ALA 64 2HB ALA 64 6.298 -19.880 1.622
522 3HB ALA 64 3HB ALA 64 7.754 -20.017 2.636
523 H ARG 65 H ARG 65 8.396 -18.719 4.174
524 HA ARG 65 HA ARG 65 9.612 -18.402 5.956
525 1HB ARG 65 1HB ARG 65 7.081 -18.224 7.111
526 2HB ARG 65 2HB ARG 65 7.804 -19.523 8.039
527 1HG ARG 65 1HG ARG 65 9.577 -17.161 7.584
528 2HG ARG 65 2HG ARG 65 8.168 -16.847 8.578
529 1HD ARG 65 1HD ARG 65 8.784 -18.610 10.152
530 2HD ARG 65 2HD ARG 65 10.047 -19.199 9.089
531 HE ARG 65 HE ARG 65 10.244 -16.954 10.917
532 1HH1 ARG 65 1HH1 ARG 65 11.444 -18.160 7.808
533 2HH1 ARG 65 2HH1 ARG 65 12.915 -17.250 7.882
534 1HH2 ARG 65 1HH2 ARG 65 13.330 -15.841 9.777
535 H GLU 66 H GLU 66 7.476 -21.276 6.661
536 HA GLU 66 HA GLU 66 7.914 -23.381 6.963
537 1HB GLU 66 1HB GLU 66 9.649 -22.677 4.892
538 2HB GLU 66 2HB GLU 66 10.712 -23.486 6.026
539 1HG GLU 66 1HG GLU 66 9.681 -25.537 5.757
540 2HG GLU 66 2HG GLU 66 8.085 -24.837 5.571
541 HE2 GLU 66 HE2 GLU 66 9.013 -26.487 2.779
542 H ILE 67 H ILE 67 7.918 -22.539 9.291
543 HA ILE 67 HA ILE 67 10.391 -22.187 10.605
544 HB ILE 67 HB ILE 67 9.044 -22.300 12.643
545 1HG1 ILE 67 1HG1 ILE 67 6.788 -23.092 10.780
546 2HG1 ILE 67 2HG1 ILE 67 7.498 -24.078 12.044
547 1HG2 ILE 67 1HG2 ILE 67 9.223 -20.222 11.293
548 2HG2 ILE 67 2HG2 ILE 67 7.695 -20.653 10.488
549 3HG2 ILE 67 3HG2 ILE 67 7.719 -20.332 12.239
550 1HD1 ILE 67 1HD1 ILE 67 5.624 -23.217 13.146
551 2HD1 ILE 67 2HD1 ILE 67 6.864 -22.029 13.613
552 3HD1 ILE 67 3HD1 ILE 67 5.720 -21.652 12.302
553 H LYS 68 H LYS 68 8.194 -24.981 10.056
554 HA LYS 68 HA LYS 68 8.385 -27.123 10.657
555 1HB LYS 68 1HB LYS 68 10.150 -26.485 8.716
556 2HB LYS 68 2HB LYS 68 11.263 -27.135 9.902
557 1HG LYS 68 1HG LYS 68 10.278 -29.275 9.868
558 2HG LYS 68 2HG LYS 68 8.726 -28.672 9.322
559 1HD LYS 68 1HD LYS 68 9.567 -28.290 7.071
560 2HD LYS 68 2HD LYS 68 11.223 -28.564 7.575
561 1HE LYS 68 1HE LYS 68 10.927 -30.898 7.772
562 2HE LYS 68 2HE LYS 68 9.196 -30.766 8.016
563 1HZ LYS 68 1HZ LYS 68 10.494 -31.216 5.606
564 2HZ LYS 68 2HZ LYS 68 8.898 -30.967 5.812
565 H SER 69 H SER 69 8.248 -25.990 12.983
566 HA SER 69 HA SER 69 10.652 -26.314 14.477
567 1HB SER 69 1HB SER 69 7.890 -25.291 14.965
568 2HB SER 69 2HB SER 69 8.693 -25.971 16.366
569 HG SER 69 HG SER 69 9.328 -23.845 16.374
570 H ARG 70 H ARG 70 11.070 -27.934 16.081
571 HA ARG 70 HA ARG 70 9.112 -29.864 16.674
572 1HB ARG 70 1HB ARG 70 10.439 -30.373 14.285
573 2HB ARG 70 2HB ARG 70 11.440 -31.249 15.427
574 1HG ARG 70 1HG ARG 70 9.619 -32.626 16.154
575 2HG ARG 70 2HG ARG 70 8.416 -31.548 15.475
576 1HD ARG 70 1HD ARG 70 8.748 -32.315 13.286
577 2HD ARG 70 2HD ARG 70 10.421 -32.751 13.573
578 HE ARG 70 HE ARG 70 9.718 -34.875 14.252
579 1HH1 ARG 70 1HH1 ARG 70 6.952 -32.667 14.424
580 2HH1 ARG 70 2HH1 ARG 70 5.816 -33.921 14.794
581 1HH2 ARG 70 1HH2 ARG 70 6.583 -36.184 14.975
582 H ARG 71 H ARG 71 10.110 -31.639 18.147
583 HA ARG 71 HA ARG 71 12.637 -30.758 19.247
584 1HB ARG 71 1HB ARG 71 10.209 -30.168 20.498
585 2HB ARG 71 2HB ARG 71 10.684 -31.653 21.300
586 1HG ARG 71 1HG ARG 71 11.626 -29.785 22.550
587 2HG ARG 71 2HG ARG 71 12.945 -30.643 21.776
588 1HD ARG 71 1HD ARG 71 13.569 -28.751 20.689
589 2HD ARG 71 2HD ARG 71 12.001 -28.654 19.912
590 HE ARG 71 HE ARG 71 11.723 -27.731 22.607
591 1HH1 ARG 71 1HH1 ARG 71 13.215 -26.733 19.552
592 2HH1 ARG 71 2HH1 ARG 71 13.120 -25.042 19.915
593 1HH2 ARG 71 1HH2 ARG 71 12.165 -24.341 21.999
Start of MODEL 4
1 1H MET 1 1H MET 1 13.409 -0.243 -13.447
2 HA MET 1 HA MET 1 13.183 1.496 -14.880
3 1HB MET 1 1HB MET 1 13.739 -1.146 -16.217
4 2HB MET 1 2HB MET 1 13.466 0.207 -17.298
5 1HG MET 1 1HG MET 1 15.195 1.269 -15.346
6 2HG MET 1 2HG MET 1 15.790 -0.363 -15.572
7 1HE MET 1 1HE MET 1 16.126 3.055 -16.546
8 2HE MET 1 2HE MET 1 16.256 3.161 -18.318
9 3HE MET 1 3HE MET 1 14.666 2.917 -17.556
10 H ALA 2 H ALA 2 11.335 -1.203 -16.488
11 HA ALA 2 HA ALA 2 9.223 0.772 -17.023
12 1HB ALA 2 1HB ALA 2 9.202 -1.342 -18.962
13 2HB ALA 2 2HB ALA 2 9.495 0.395 -19.219
14 3HB ALA 2 3HB ALA 2 10.857 -0.695 -18.863
15 H GLU 3 H GLU 3 10.125 -2.687 -16.495
16 HA GLU 3 HA GLU 3 7.814 -3.927 -16.485
17 1HB GLU 3 1HB GLU 3 8.785 -5.008 -14.191
18 2HB GLU 3 2HB GLU 3 9.452 -5.360 -15.772
19 1HG GLU 3 1HG GLU 3 11.305 -3.928 -15.468
20 2HG GLU 3 2HG GLU 3 10.483 -2.946 -14.270
21 HE2 GLU 3 HE2 GLU 3 11.419 -6.568 -14.141
22 H ASP 4 H ASP 4 5.798 -3.555 -15.681
23 HA ASP 4 HA ASP 4 5.593 -2.589 -12.983
24 1HB ASP 4 1HB ASP 4 5.138 -0.908 -15.324
25 2HB ASP 4 2HB ASP 4 3.634 -1.114 -14.450
26 HD2 ASP 4 HD2 ASP 4 7.004 -0.232 -13.085
27 H GLU 5 H GLU 5 4.998 -5.006 -14.845
28 HA GLU 5 HA GLU 5 2.104 -5.030 -14.656
29 1HB GLU 5 1HB GLU 5 4.031 -6.108 -16.525
30 2HB GLU 5 2HB GLU 5 3.108 -7.437 -15.852
31 1HG GLU 5 1HG GLU 5 1.047 -5.750 -16.306
32 2HG GLU 5 2HG GLU 5 2.154 -5.101 -17.499
33 HE2 GLU 5 HE2 GLU 5 2.176 -6.347 -19.463
34 H GLY 6 H GLY 6 4.436 -5.494 -12.519
35 1HA GLY 6 1HA GLY 6 4.249 -8.163 -11.656
36 2HA GLY 6 2HA GLY 6 4.758 -6.782 -10.705
37 H TYR 7 H TYR 7 3.618 -6.817 -8.807
38 HA TYR 7 HA TYR 7 0.730 -7.331 -9.015
39 1HB TYR 7 1HB TYR 7 2.640 -7.465 -6.605
40 2HB TYR 7 2HB TYR 7 1.017 -8.124 -6.672
41 HD1 TYR 7 HD1 TYR 7 3.872 -9.421 -6.076
42 HD2 TYR 7 HD2 TYR 7 1.203 -9.439 -9.419
43 HE1 TYR 7 HE1 TYR 7 4.808 -11.665 -6.820
44 HE2 TYR 7 HE2 TYR 7 2.147 -11.683 -10.153
45 HH TYR 7 HH TYR 7 4.299 -12.908 -9.866
46 HA PRO 8 HA PRO 8 0.854 -3.030 -7.848
47 1HB PRO 8 1HB PRO 8 -1.455 -2.299 -9.115
48 2HB PRO 8 2HB PRO 8 0.123 -2.221 -9.876
49 1HG PRO 8 1HG PRO 8 -2.047 -4.183 -10.305
50 2HG PRO 8 2HG PRO 8 -0.668 -3.830 -11.327
51 1HD PRO 8 1HD PRO 8 -0.985 -6.094 -9.594
52 2HD PRO 8 2HD PRO 8 0.439 -5.679 -10.527
53 H ALA 9 H ALA 9 0.202 -2.131 -5.979
54 HA ALA 9 HA ALA 9 -2.307 -3.251 -4.938
55 1HB ALA 9 1HB ALA 9 0.124 -3.975 -3.978
56 2HB ALA 9 2HB ALA 9 -0.158 -2.509 -3.010
57 3HB ALA 9 3HB ALA 9 -1.329 -3.849 -2.959
58 H GLU 10 H GLU 10 -3.781 -1.707 -4.417
59 HA GLU 10 HA GLU 10 -2.816 1.021 -4.456
60 1HB GLU 10 1HB GLU 10 -4.838 0.075 -5.840
61 2HB GLU 10 2HB GLU 10 -5.731 0.198 -4.336
62 1HG GLU 10 1HG GLU 10 -4.379 2.666 -4.524
63 2HG GLU 10 2HG GLU 10 -4.870 2.331 -6.173
64 HE2 GLU 10 HE2 GLU 10 -6.528 3.725 -6.236
65 H VAL 11 H VAL 11 -3.113 2.480 -2.714
66 HA VAL 11 HA VAL 11 -3.144 1.305 -0.158
67 HB VAL 11 HB VAL 11 -3.273 4.134 -1.187
68 1HG1 VAL 11 1HG1 VAL 11 -3.076 3.227 1.705
69 2HG1 VAL 11 2HG1 VAL 11 -2.860 4.896 1.123
70 3HG1 VAL 11 3HG1 VAL 11 -4.441 4.094 0.960
71 1HG2 VAL 11 1HG2 VAL 11 -0.987 4.261 -0.697
72 2HG2 VAL 11 2HG2 VAL 11 -1.040 2.846 0.382
73 3HG2 VAL 11 3HG2 VAL 11 -1.178 2.628 -1.378
74 H ILE 12 H ILE 12 -4.806 0.788 1.181
75 HA ILE 12 HA ILE 12 -7.462 1.706 0.340
76 HB ILE 12 HB ILE 12 -8.324 -0.248 1.495
77 1HG1 ILE 12 1HG1 ILE 12 -6.134 -1.912 1.919
78 2HG1 ILE 12 2HG1 ILE 12 -5.604 -0.372 2.565
79 1HG2 ILE 12 1HG2 ILE 12 -7.301 -0.201 -0.948
80 2HG2 ILE 12 2HG2 ILE 12 -6.172 -1.381 -0.240
81 3HG2 ILE 12 3HG2 ILE 12 -7.924 -1.701 -0.220
82 1HD1 ILE 12 1HD1 ILE 12 -7.647 -2.223 3.595
83 2HD1 ILE 12 2HD1 ILE 12 -6.783 -0.912 4.432
84 3HD1 ILE 12 3HD1 ILE 12 -8.243 -0.550 3.480
85 H GLU 13 H GLU 13 -5.072 1.561 2.971
86 HA GLU 13 HA GLU 13 -6.410 3.691 4.258
87 1HB GLU 13 1HB GLU 13 -7.797 1.883 5.155
88 2HB GLU 13 2HB GLU 13 -6.379 0.963 5.617
89 1HG GLU 13 1HG GLU 13 -5.899 2.334 7.443
90 2HG GLU 13 2HG GLU 13 -6.589 3.761 6.697
91 HE2 GLU 13 HE2 GLU 13 -7.177 2.607 9.287
92 H ILE 14 H ILE 14 -5.002 4.800 5.711
93 HA ILE 14 HA ILE 14 -2.257 3.809 5.590
94 HB ILE 14 HB ILE 14 -3.350 6.551 6.231
95 1HG1 ILE 14 1HG1 ILE 14 -1.892 5.700 3.724
96 2HG1 ILE 14 2HG1 ILE 14 -3.639 5.643 3.851
97 1HG2 ILE 14 1HG2 ILE 14 -0.540 6.324 5.447
98 2HG2 ILE 14 2HG2 ILE 14 -1.296 7.231 6.778
99 3HG2 ILE 14 3HG2 ILE 14 -0.914 5.505 6.982
100 1HD1 ILE 14 1HD1 ILE 14 -3.824 7.891 3.589
101 2HD1 ILE 14 2HD1 ILE 14 -2.585 8.205 4.828
102 3HD1 ILE 14 3HD1 ILE 14 -2.100 7.883 3.145
103 H ILE 15 H ILE 15 -1.295 2.940 7.350
104 HA ILE 15 HA ILE 15 -2.803 2.815 9.783
105 HB ILE 15 HB ILE 15 -0.082 1.755 9.010
106 1HG1 ILE 15 1HG1 ILE 15 -2.340 -0.090 9.464
107 2HG1 ILE 15 2HG1 ILE 15 -2.533 0.959 8.073
108 1HG2 ILE 15 1HG2 ILE 15 -1.445 1.889 11.592
109 2HG2 ILE 15 2HG2 ILE 15 -1.012 0.230 11.115
110 3HG2 ILE 15 3HG2 ILE 15 0.245 1.488 11.200
111 1HD1 ILE 15 1HD1 ILE 15 -0.962 -0.176 6.890
112 2HD1 ILE 15 2HD1 ILE 15 0.203 -0.091 8.232
113 3HD1 ILE 15 3HD1 ILE 15 -1.005 -1.397 8.184
114 H GLY 16 H GLY 16 0.589 3.901 9.031
115 1HA GLY 16 1HA GLY 16 0.496 6.429 10.019
116 2HA GLY 16 2HA GLY 16 0.686 5.446 11.459
117 H ARG 17 H ARG 17 2.819 5.808 12.036
118 HA ARG 17 HA ARG 17 4.751 5.029 10.008
119 1HB ARG 17 1HB ARG 17 4.960 7.329 12.014
120 2HB ARG 17 2HB ARG 17 6.326 6.741 11.085
121 1HG ARG 17 1HG ARG 17 4.733 7.116 8.997
122 2HG ARG 17 2HG ARG 17 3.831 8.148 10.091
123 1HD ARG 17 1HD ARG 17 6.594 8.830 10.436
124 2HD ARG 17 2HD ARG 17 6.329 8.709 8.708
125 HE ARG 17 HE ARG 17 4.152 10.174 9.491
126 1HH1 ARG 17 1HH1 ARG 17 7.606 10.535 10.197
127 2HH1 ARG 17 2HH1 ARG 17 7.516 12.255 10.373
128 1HH2 ARG 17 1HH2 ARG 17 5.406 13.356 10.093
129 H THR 18 H THR 18 6.759 4.052 10.899
130 HA THR 18 HA THR 18 6.716 3.413 13.736
131 HB THR 18 HB THR 18 5.346 1.614 12.769
132 HG1 THR 18 HG1 THR 18 7.276 1.224 14.269
133 1HG2 THR 18 1HG2 THR 18 7.717 0.897 10.991
134 2HG2 THR 18 2HG2 THR 18 6.063 0.241 10.938
135 3HG2 THR 18 3HG2 THR 18 6.380 1.900 10.379
136 H GLY 19 H GLY 19 8.429 5.201 12.879
137 1HA GLY 19 1HA GLY 19 10.917 3.681 12.368
138 2HA GLY 19 2HA GLY 19 10.597 5.281 11.727
139 H THR 20 H THR 20 12.863 4.575 13.396
140 HA THR 20 HA THR 20 12.658 5.015 16.067
141 HB THR 20 HB THR 20 14.708 5.705 13.937
142 HG1 THR 20 HG1 THR 20 14.412 3.510 14.728
143 1HG2 THR 20 1HG2 THR 20 15.807 7.128 15.351
144 2HG2 THR 20 2HG2 THR 20 14.579 6.886 16.617
145 3HG2 THR 20 3HG2 THR 20 15.960 5.770 16.491
146 H THR 21 H THR 21 12.941 7.605 13.545
147 HA THR 21 HA THR 21 11.946 9.469 15.597
148 HB THR 21 HB THR 21 13.860 9.703 13.245
149 HG1 THR 21 HG1 THR 21 14.711 9.375 15.379
150 1HG2 THR 21 1HG2 THR 21 12.029 11.806 14.386
151 2HG2 THR 21 2HG2 THR 21 13.739 12.253 14.177
152 3HG2 THR 21 3HG2 THR 21 12.782 11.720 12.775
153 H GLY 22 H GLY 22 11.195 7.784 12.666
154 1HA GLY 22 1HA GLY 22 8.814 7.825 12.138
155 2HA GLY 22 2HA GLY 22 8.865 9.570 12.295
156 H ASP 23 H ASP 23 11.102 7.207 10.672
157 HA ASP 23 HA ASP 23 10.992 8.930 8.352
158 1HB ASP 23 1HB ASP 23 12.808 6.605 9.136
159 2HB ASP 23 2HB ASP 23 12.911 7.406 7.580
160 HD2 ASP 23 HD2 ASP 23 12.884 9.897 8.069
161 H VAL 24 H VAL 24 10.279 5.637 9.570
162 HA VAL 24 HA VAL 24 9.632 4.628 6.952
163 HB VAL 24 HB VAL 24 9.198 3.436 9.698
164 1HG1 VAL 24 1HG1 VAL 24 8.585 2.539 6.988
165 2HG1 VAL 24 2HG1 VAL 24 9.643 1.397 7.852
166 3HG1 VAL 24 3HG1 VAL 24 8.077 1.868 8.557
167 1HG2 VAL 24 1HG2 VAL 24 11.370 2.920 9.832
168 2HG2 VAL 24 2HG2 VAL 24 11.408 2.334 8.151
169 3HG2 VAL 24 3HG2 VAL 24 11.638 4.065 8.497
170 H THR 25 H THR 25 7.512 4.041 6.229
171 HA THR 25 HA THR 25 5.306 5.120 7.826
172 HB THR 25 HB THR 25 6.136 5.884 4.993
173 HG1 THR 25 HG1 THR 25 6.000 7.932 6.047
174 1HG2 THR 25 1HG2 THR 25 3.945 7.074 4.831
175 2HG2 THR 25 2HG2 THR 25 3.699 5.313 4.906
176 3HG2 THR 25 3HG2 THR 25 3.423 6.312 6.353
177 H GLN 26 H GLN 26 4.093 3.392 8.285
178 HA GLN 26 HA GLN 26 3.981 1.293 6.307
179 1HB GLN 26 1HB GLN 26 4.073 1.303 9.102
180 2HB GLN 26 2HB GLN 26 2.397 0.916 8.768
181 1HG GLN 26 1HG GLN 26 2.913 -1.100 7.725
182 2HG GLN 26 2HG GLN 26 4.454 -0.523 7.119
183 1HE2 GLN 26 1HE2 GLN 26 2.702 -1.613 9.969
184 2HE2 GLN 26 2HE2 GLN 26 4.063 -2.155 10.893
185 H VAL 27 H VAL 27 2.119 0.715 5.158
186 HA VAL 27 HA VAL 27 -0.384 1.981 5.866
187 HB VAL 27 HB VAL 27 1.193 2.614 3.389
188 1HG1 VAL 27 1HG1 VAL 27 -0.876 3.552 2.388
189 2HG1 VAL 27 2HG1 VAL 27 -0.932 1.781 2.554
190 3HG1 VAL 27 3HG1 VAL 27 -1.821 2.812 3.702
191 1HG2 VAL 27 1HG2 VAL 27 -0.142 4.157 5.595
192 2HG2 VAL 27 2HG2 VAL 27 1.493 4.328 4.914
193 3HG2 VAL 27 3HG2 VAL 27 0.083 4.915 4.000
194 H LYS 28 H LYS 28 -2.217 0.986 4.712
195 HA LYS 28 HA LYS 28 -1.538 -1.760 4.000
196 1HB LYS 28 1HB LYS 28 -3.904 -0.387 5.182
197 2HB LYS 28 2HB LYS 28 -4.225 -1.768 4.152
198 1HG LYS 28 1HG LYS 28 -2.842 -3.225 5.512
199 2HG LYS 28 2HG LYS 28 -2.162 -1.872 6.394
200 1HD LYS 28 1HD LYS 28 -4.426 -1.356 7.339
201 2HD LYS 28 2HD LYS 28 -5.097 -2.720 6.468
202 1HE LYS 28 1HE LYS 28 -2.848 -3.766 7.861
203 2HE LYS 28 2HE LYS 28 -3.635 -2.693 9.003
204 1HZ LYS 28 1HZ LYS 28 -5.747 -3.870 8.506
205 2HZ LYS 28 2HZ LYS 28 -4.959 -4.907 7.529
206 H VAL 29 H VAL 29 -1.908 -2.631 1.980
207 HA VAL 29 HA VAL 29 -3.273 -0.914 0.047
208 HB VAL 29 HB VAL 29 -1.535 -1.247 -1.582
209 1HG1 VAL 29 1HG1 VAL 29 -1.232 0.742 -0.332
210 2HG1 VAL 29 2HG1 VAL 29 -0.605 -0.144 1.079
211 3HG1 VAL 29 3HG1 VAL 29 0.373 -0.024 -0.404
212 1HG2 VAL 29 1HG2 VAL 29 0.048 -2.697 0.566
213 2HG2 VAL 29 2HG2 VAL 29 -0.786 -3.484 -0.795
214 3HG2 VAL 29 3HG2 VAL 29 0.563 -2.366 -1.106
215 H ARG 30 H ARG 30 -4.610 -2.036 -1.338
216 HA ARG 30 HA ARG 30 -4.704 -4.880 -0.825
217 1HB ARG 30 1HB ARG 30 -6.834 -3.754 -0.515
218 2HB ARG 30 2HB ARG 30 -6.688 -2.906 -2.041
219 1HG ARG 30 1HG ARG 30 -6.919 -5.008 -3.298
220 2HG ARG 30 2HG ARG 30 -6.880 -5.945 -1.818
221 1HD ARG 30 1HD ARG 30 -9.112 -5.650 -1.495
222 2HD ARG 30 2HD ARG 30 -8.951 -3.908 -1.606
223 HE ARG 30 HE ARG 30 -8.782 -5.156 -4.227
224 1HH1 ARG 30 1HH1 ARG 30 -11.077 -4.099 -1.741
225 2HH1 ARG 30 2HH1 ARG 30 -12.384 -3.895 -2.860
226 1HH2 ARG 30 1HH2 ARG 30 -12.026 -4.364 -5.183
227 H ILE 31 H ILE 31 -4.860 -6.423 -2.632
228 HA ILE 31 HA ILE 31 -3.211 -5.646 -4.827
229 HB ILE 31 HB ILE 31 -4.701 -8.218 -4.294
230 1HG1 ILE 31 1HG1 ILE 31 -2.992 -7.325 -2.545
231 2HG1 ILE 31 2HG1 ILE 31 -2.917 -8.997 -3.062
232 1HG2 ILE 31 1HG2 ILE 31 -2.798 -9.125 -5.761
233 2HG2 ILE 31 2HG2 ILE 31 -4.134 -8.262 -6.561
234 3HG2 ILE 31 3HG2 ILE 31 -2.579 -7.439 -6.288
235 1HD1 ILE 31 1HD1 ILE 31 -0.702 -7.604 -3.015
236 2HD1 ILE 31 2HD1 ILE 31 -1.018 -8.635 -4.430
237 3HD1 ILE 31 3HD1 ILE 31 -1.308 -6.882 -4.525
238 H LEU 32 H LEU 32 -3.960 -4.446 -6.488
239 HA LEU 32 HA LEU 32 -6.705 -4.167 -7.015
240 1HB LEU 32 1HB LEU 32 -4.177 -3.118 -7.978
241 2HB LEU 32 2HB LEU 32 -5.297 -3.390 -9.298
242 HG LEU 32 HG LEU 32 -5.986 -1.795 -6.817
243 1HD1 LEU 32 1HD1 LEU 32 -5.698 0.209 -8.275
244 2HD1 LEU 32 2HD1 LEU 32 -4.183 -0.647 -7.900
245 3HD1 LEU 32 3HD1 LEU 32 -4.945 -0.844 -9.497
246 1HD2 LEU 32 1HD2 LEU 32 -8.054 -2.152 -7.611
247 2HD2 LEU 32 2HD2 LEU 32 -7.619 -0.911 -8.810
248 3HD2 LEU 32 3HD2 LEU 32 -7.470 -2.636 -9.221
249 H GLU 33 H GLU 33 -4.088 -6.164 -8.484
250 HA GLU 33 HA GLU 33 -6.080 -7.983 -9.386
251 1HB GLU 33 1HB GLU 33 -5.332 -5.958 -11.187
252 2HB GLU 33 2HB GLU 33 -4.368 -7.334 -11.685
253 1HG GLU 33 1HG GLU 33 -6.207 -8.122 -12.756
254 2HG GLU 33 2HG GLU 33 -6.896 -8.458 -11.180
255 HE2 GLU 33 HE2 GLU 33 -7.152 -4.902 -12.731
256 H GLY 34 H GLY 34 -4.932 -9.913 -10.585
257 1HA GLY 34 1HA GLY 34 -2.485 -10.650 -10.878
258 2HA GLY 34 2HA GLY 34 -2.414 -10.409 -9.143
259 H ARG 35 H ARG 35 -2.518 -12.339 -8.085
260 HA ARG 35 HA ARG 35 -4.065 -14.433 -9.321
261 1HB ARG 35 1HB ARG 35 -1.671 -14.306 -7.703
262 2HB ARG 35 2HB ARG 35 -2.847 -15.271 -6.834
263 1HG ARG 35 1HG ARG 35 -2.582 -17.016 -8.262
264 2HG ARG 35 2HG ARG 35 -2.898 -15.998 -9.653
265 1HD ARG 35 1HD ARG 35 -0.367 -15.151 -9.048
266 2HD ARG 35 2HD ARG 35 -0.275 -16.792 -8.439
267 HE ARG 35 HE ARG 35 -0.322 -16.015 -11.210
268 1HH1 ARG 35 1HH1 ARG 35 -1.543 -18.538 -9.044
269 2HH1 ARG 35 2HH1 ARG 35 -1.631 -19.738 -10.289
270 1HH2 ARG 35 1HH2 ARG 35 -0.977 -19.164 -12.521
271 H ASP 36 H ASP 36 -3.831 -12.468 -6.311
272 HA ASP 36 HA ASP 36 -6.112 -13.834 -5.220
273 1HB ASP 36 1HB ASP 36 -3.881 -12.404 -4.171
274 2HB ASP 36 2HB ASP 36 -5.282 -11.427 -3.778
275 HD2 ASP 36 HD2 ASP 36 -7.086 -13.584 -3.189
276 H LYS 37 H LYS 37 -5.070 -10.650 -6.555
277 HA LYS 37 HA LYS 37 -6.202 -8.735 -6.863
278 1HB LYS 37 1HB LYS 37 -6.552 -9.858 -8.934
279 2HB LYS 37 2HB LYS 37 -7.839 -10.849 -8.277
280 1HG LYS 37 1HG LYS 37 -8.490 -8.051 -7.839
281 2HG LYS 37 2HG LYS 37 -8.063 -8.277 -9.523
282 1HD LYS 37 1HD LYS 37 -9.856 -9.703 -9.944
283 2HD LYS 37 2HD LYS 37 -9.874 -10.346 -8.313
284 1HE LYS 37 1HE LYS 37 -10.529 -7.700 -7.839
285 2HE LYS 37 2HE LYS 37 -11.251 -7.942 -9.417
286 1HZ LYS 37 1HZ LYS 37 -12.847 -8.606 -7.789
287 2HZ LYS 37 2HZ LYS 37 -12.311 -9.995 -8.448
288 H GLY 38 H GLY 38 -6.720 -8.065 -4.735
289 1HA GLY 38 1HA GLY 38 -8.703 -7.062 -3.751
290 2HA GLY 38 2HA GLY 38 -9.537 -8.585 -3.990
291 H ARG 39 H ARG 39 -6.127 -8.186 -2.894
292 HA ARG 39 HA ARG 39 -6.994 -9.345 -0.366
293 1HB ARG 39 1HB ARG 39 -5.517 -10.794 -1.888
294 2HB ARG 39 2HB ARG 39 -4.234 -9.624 -1.653
295 1HG ARG 39 1HG ARG 39 -4.817 -10.022 0.943
296 2HG ARG 39 2HG ARG 39 -5.444 -11.541 0.337
297 1HD ARG 39 1HD ARG 39 -3.318 -12.246 -0.479
298 2HD ARG 39 2HD ARG 39 -2.676 -10.616 -0.497
299 HE ARG 39 HE ARG 39 -2.052 -10.890 1.734
300 1HH1 ARG 39 1HH1 ARG 39 -4.640 -13.200 1.015
301 2HH1 ARG 39 2HH1 ARG 39 -4.559 -13.964 2.568
302 1HH2 ARG 39 1HH2 ARG 39 -2.966 -13.182 4.178
303 H VAL 40 H VAL 40 -6.763 -7.944 1.348
304 HA VAL 40 HA VAL 40 -5.242 -5.541 0.997
305 HB VAL 40 HB VAL 40 -7.488 -5.850 2.171
306 1HG1 VAL 40 1HG1 VAL 40 -5.693 -6.726 4.458
307 2HG1 VAL 40 2HG1 VAL 40 -7.448 -6.438 4.531
308 3HG1 VAL 40 3HG1 VAL 40 -6.806 -7.786 3.563
309 1HG2 VAL 40 1HG2 VAL 40 -5.172 -4.186 2.946
310 2HG2 VAL 40 2HG2 VAL 40 -6.833 -3.717 2.510
311 3HG2 VAL 40 3HG2 VAL 40 -6.471 -4.279 4.160
312 H ILE 41 H ILE 41 -3.258 -5.011 1.886
313 HA ILE 41 HA ILE 41 -2.058 -6.952 3.699
314 HB ILE 41 HB ILE 41 -0.029 -7.090 2.421
315 1HG1 ILE 41 1HG1 ILE 41 -1.226 -5.724 0.043
316 2HG1 ILE 41 2HG1 ILE 41 -0.574 -4.727 1.328
317 1HG2 ILE 41 1HG2 ILE 41 -2.107 -7.721 0.364
318 2HG2 ILE 41 2HG2 ILE 41 -0.729 -8.689 0.938
319 3HG2 ILE 41 3HG2 ILE 41 -2.186 -8.528 1.948
320 1HD1 ILE 41 1HD1 ILE 41 1.136 -5.247 -0.412
321 2HD1 ILE 41 2HD1 ILE 41 1.601 -5.887 1.183
322 3HD1 ILE 41 3HD1 ILE 41 0.949 -6.982 -0.059
323 H ARG 42 H ARG 42 0.286 -5.931 4.309
324 HA ARG 42 HA ARG 42 -0.196 -3.085 4.667
325 1HB ARG 42 1HB ARG 42 -0.694 -4.225 6.797
326 2HB ARG 42 2HB ARG 42 0.828 -5.092 6.736
327 1HG ARG 42 1HG ARG 42 2.109 -3.050 7.040
328 2HG ARG 42 2HG ARG 42 0.695 -2.046 6.781
329 1HD ARG 42 1HD ARG 42 0.818 -2.034 9.122
330 2HD ARG 42 2HD ARG 42 -0.298 -3.359 8.863
331 HE ARG 42 HE ARG 42 2.375 -4.396 8.829
332 1HH1 ARG 42 1HH1 ARG 42 0.021 -3.038 11.103
333 2HH1 ARG 42 2HH1 ARG 42 0.664 -3.886 12.468
334 1HH2 ARG 42 1HH2 ARG 42 2.547 -5.338 12.168
335 H ARG 43 H ARG 43 1.374 -2.177 3.343
336 HA ARG 43 HA ARG 43 3.966 -3.460 3.335
337 1HB ARG 43 1HB ARG 43 2.364 -2.188 1.331
338 2HB ARG 43 2HB ARG 43 3.764 -1.156 1.553
339 1HG ARG 43 1HG ARG 43 4.254 -4.122 1.368
340 2HG ARG 43 2HG ARG 43 3.795 -3.292 -0.106
341 1HD ARG 43 1HD ARG 43 5.951 -2.036 1.592
342 2HD ARG 43 2HD ARG 43 6.368 -3.470 0.676
343 HE ARG 43 HE ARG 43 4.951 -1.409 -0.877
344 1HH1 ARG 43 1HH1 ARG 43 8.108 -2.666 0.126
345 2HH1 ARG 43 2HH1 ARG 43 8.959 -1.925 -1.187
346 1HH2 ARG 43 1HH2 ARG 43 7.743 -0.614 -2.784
347 H ASN 44 H ASN 44 5.868 -2.362 4.015
348 HA ASN 44 HA ASN 44 5.323 0.184 5.324
349 1HB ASN 44 1HB ASN 44 7.144 -0.359 6.871
350 2HB ASN 44 2HB ASN 44 6.069 -1.741 6.801
351 1HD2 ASN 44 1HD2 ASN 44 6.666 -3.602 5.688
352 2HD2 ASN 44 2HD2 ASN 44 8.308 -3.965 5.275
353 H VAL 45 H VAL 45 6.307 1.946 4.321
354 HA VAL 45 HA VAL 45 8.909 1.553 3.092
355 HB VAL 45 HB VAL 45 6.448 2.527 1.637
356 1HG1 VAL 45 1HG1 VAL 45 8.302 2.726 -0.265
357 2HG1 VAL 45 2HG1 VAL 45 7.928 4.079 0.829
358 3HG1 VAL 45 3HG1 VAL 45 9.349 3.054 1.135
359 1HG2 VAL 45 1HG2 VAL 45 7.351 0.793 -0.052
360 2HG2 VAL 45 2HG2 VAL 45 8.326 0.185 1.308
361 3HG2 VAL 45 3HG2 VAL 45 6.549 0.195 1.420
362 H ARG 46 H ARG 46 10.098 3.563 2.860
363 HA ARG 46 HA ARG 46 9.275 5.414 4.865
364 1HB ARG 46 1HB ARG 46 11.687 5.810 3.064
365 2HB ARG 46 2HB ARG 46 11.499 6.262 4.747
366 1HG ARG 46 1HG ARG 46 11.325 3.718 5.248
367 2HG ARG 46 2HG ARG 46 11.891 3.463 3.610
368 1HD ARG 46 1HD ARG 46 14.016 4.420 4.045
369 2HD ARG 46 2HD ARG 46 13.436 5.339 5.420
370 HE ARG 46 HE ARG 46 13.051 2.661 6.143
371 1HH1 ARG 46 1HH1 ARG 46 15.825 4.649 5.193
372 2HH1 ARG 46 2HH1 ARG 46 16.963 3.724 6.114
373 1HH2 ARG 46 1HH2 ARG 46 16.191 1.841 7.380
374 H GLY 47 H GLY 47 8.287 7.395 4.496
375 1HA GLY 47 1HA GLY 47 8.371 9.400 3.051
376 2HA GLY 47 2HA GLY 47 8.165 8.320 1.687
377 HA PRO 48 HA PRO 48 4.067 9.518 3.553
378 1HB PRO 48 1HB PRO 48 3.358 11.708 2.078
379 2HB PRO 48 2HB PRO 48 4.054 11.817 3.683
380 1HG PRO 48 1HG PRO 48 5.328 12.350 1.069
381 2HG PRO 48 2HG PRO 48 5.849 12.849 2.666
382 1HD PRO 48 1HD PRO 48 6.949 10.720 1.090
383 2HD PRO 48 2HD PRO 48 7.391 11.145 2.732
384 H VAL 49 H VAL 49 1.844 9.820 2.335
385 HA VAL 49 HA VAL 49 1.889 8.972 -0.359
386 HB VAL 49 HB VAL 49 2.586 6.911 1.051
387 1HG1 VAL 49 1HG1 VAL 49 0.915 7.037 2.790
388 2HG1 VAL 49 2HG1 VAL 49 -0.400 7.003 1.590
389 3HG1 VAL 49 3HG1 VAL 49 0.626 5.568 1.827
390 1HG2 VAL 49 1HG2 VAL 49 1.223 7.255 -1.381
391 2HG2 VAL 49 2HG2 VAL 49 2.127 5.820 -0.842
392 3HG2 VAL 49 3HG2 VAL 49 0.375 5.930 -0.548
393 H ARG 50 H ARG 50 -0.562 8.059 -0.824
394 HA ARG 50 HA ARG 50 -2.436 9.286 0.933
395 1HB ARG 50 1HB ARG 50 -1.864 10.416 -1.840
396 2HB ARG 50 2HB ARG 50 -3.426 10.641 -1.077
397 1HG ARG 50 1HG ARG 50 -0.732 11.516 0.069
398 2HG ARG 50 2HG ARG 50 -1.943 12.574 -0.627
399 1HD ARG 50 1HD ARG 50 -3.317 11.047 1.351
400 2HD ARG 50 2HD ARG 50 -1.791 11.497 2.085
401 HE ARG 50 HE ARG 50 -2.481 13.736 2.106
402 1HH1 ARG 50 1HH1 ARG 50 -4.564 11.917 -0.110
403 2HH1 ARG 50 2HH1 ARG 50 -5.663 13.233 -0.354
404 1HH2 ARG 50 1HH2 ARG 50 -5.272 15.313 0.769
405 H VAL 51 H VAL 51 -4.594 8.475 0.561
406 HA VAL 51 HA VAL 51 -4.830 5.968 -0.460
407 HB VAL 51 HB VAL 51 -6.452 6.911 1.010
408 1HG1 VAL 51 1HG1 VAL 51 -7.808 8.653 -0.950
409 2HG1 VAL 51 2HG1 VAL 51 -7.480 8.906 0.782
410 3HG1 VAL 51 3HG1 VAL 51 -6.209 9.229 -0.423
411 1HG2 VAL 51 1HG2 VAL 51 -7.147 5.185 -0.751
412 2HG2 VAL 51 2HG2 VAL 51 -8.450 6.091 0.056
413 3HG2 VAL 51 3HG2 VAL 51 -7.946 6.534 -1.593
414 H GLY 52 H GLY 52 -4.981 5.038 -2.452
415 1HA GLY 52 1HA GLY 52 -5.944 5.173 -4.673
416 2HA GLY 52 2HA GLY 52 -5.447 6.853 -4.741
417 H ASP 53 H ASP 53 -2.839 6.160 -3.262
418 HA ASP 53 HA ASP 53 -1.227 5.999 -5.443
419 1HB ASP 53 1HB ASP 53 -0.869 6.323 -2.740
420 2HB ASP 53 2HB ASP 53 -0.214 4.709 -2.937
421 HD2 ASP 53 HD2 ASP 53 0.752 7.755 -5.035
422 H ILE 54 H ILE 54 0.037 4.212 -6.374
423 HA ILE 54 HA ILE 54 -0.845 1.542 -5.549
424 HB ILE 54 HB ILE 54 -0.713 2.618 -8.366
425 1HG1 ILE 54 1HG1 ILE 54 -3.047 1.523 -6.770
426 2HG1 ILE 54 2HG1 ILE 54 -2.741 3.223 -7.069
427 1HG2 ILE 54 1HG2 ILE 54 -1.508 -0.189 -7.625
428 2HG2 ILE 54 2HG2 ILE 54 -1.047 0.474 -9.211
429 3HG2 ILE 54 3HG2 ILE 54 0.188 0.238 -7.951
430 1HD1 ILE 54 1HD1 ILE 54 -3.600 3.107 -9.170
431 2HD1 ILE 54 2HD1 ILE 54 -2.645 1.655 -9.556
432 3HD1 ILE 54 3HD1 ILE 54 -4.207 1.497 -8.719
433 H LEU 55 H LEU 55 0.767 -0.020 -5.517
434 HA LEU 55 HA LEU 55 3.364 0.775 -6.588
435 1HB LEU 55 1HB LEU 55 2.828 -0.109 -3.752
436 2HB LEU 55 2HB LEU 55 4.419 -0.085 -4.486
437 HG LEU 55 HG LEU 55 3.298 2.491 -4.902
438 1HD1 LEU 55 1HD1 LEU 55 1.781 2.615 -3.236
439 2HD1 LEU 55 2HD1 LEU 55 2.513 1.280 -2.315
440 3HD1 LEU 55 3HD1 LEU 55 3.225 2.910 -2.238
441 1HD2 LEU 55 1HD2 LEU 55 5.470 1.484 -3.046
442 2HD2 LEU 55 2HD2 LEU 55 5.660 2.068 -4.716
443 3HD2 LEU 55 3HD2 LEU 55 5.171 3.197 -3.430
444 H ILE 56 H ILE 56 4.515 -0.912 -7.499
445 HA ILE 56 HA ILE 56 3.057 -3.438 -7.592
446 HB ILE 56 HB ILE 56 5.403 -2.702 -9.311
447 1HG1 ILE 56 1HG1 ILE 56 2.745 -1.423 -9.284
448 2HG1 ILE 56 2HG1 ILE 56 4.268 -0.855 -9.938
449 1HG2 ILE 56 1HG2 ILE 56 4.233 -5.031 -9.163
450 2HG2 ILE 56 2HG2 ILE 56 2.975 -4.252 -10.151
451 3HG2 ILE 56 3HG2 ILE 56 4.648 -4.340 -10.749
452 1HD1 ILE 56 1HD1 ILE 56 3.939 -2.678 -11.782
453 2HD1 ILE 56 2HD1 ILE 56 2.251 -2.727 -11.218
454 3HD1 ILE 56 3HD1 ILE 56 2.932 -1.213 -11.863
455 H LEU 57 H LEU 57 5.952 -4.406 -8.567
456 HA LEU 57 HA LEU 57 7.827 -5.197 -7.612
457 1HB LEU 57 1HB LEU 57 8.612 -4.342 -5.726
458 2HB LEU 57 2HB LEU 57 7.204 -3.301 -5.777
459 HG LEU 57 HG LEU 57 6.237 -5.539 -4.474
460 1HD1 LEU 57 1HD1 LEU 57 9.068 -5.051 -3.505
461 2HD1 LEU 57 2HD1 LEU 57 7.848 -6.079 -2.715
462 3HD1 LEU 57 3HD1 LEU 57 8.473 -6.515 -4.323
463 1HD2 LEU 57 1HD2 LEU 57 6.346 -2.865 -4.037
464 2HD2 LEU 57 2HD2 LEU 57 5.727 -4.053 -2.864
465 3HD2 LEU 57 3HD2 LEU 57 7.398 -3.456 -2.729
466 H ARG 58 H ARG 58 8.303 -7.339 -7.083
467 HA ARG 58 HA ARG 58 5.938 -8.911 -6.600
468 1HB ARG 58 1HB ARG 58 8.638 -9.373 -7.815
469 2HB ARG 58 2HB ARG 58 7.955 -10.748 -6.971
470 1HG ARG 58 1HG ARG 58 5.754 -9.956 -8.385
471 2HG ARG 58 2HG ARG 58 7.008 -9.386 -9.468
472 1HD ARG 58 1HD ARG 58 8.062 -11.767 -9.197
473 2HD ARG 58 2HD ARG 58 6.518 -12.234 -8.513
474 HE ARG 58 HE ARG 58 6.141 -10.824 -11.016
475 1HH1 ARG 58 1HH1 ARG 58 7.065 -13.978 -9.693
476 2HH1 ARG 58 2HH1 ARG 58 6.567 -14.854 -11.101
477 1HH2 ARG 58 1HH2 ARG 58 5.640 -13.657 -12.960
478 H GLU 59 H GLU 59 9.199 -8.204 -5.244
479 HA GLU 59 HA GLU 59 9.545 -10.055 -3.400
480 1HB GLU 59 1HB GLU 59 10.879 -7.891 -3.834
481 2HB GLU 59 2HB GLU 59 9.803 -7.105 -2.696
482 1HG GLU 59 1HG GLU 59 11.171 -9.684 -1.890
483 2HG GLU 59 2HG GLU 59 12.084 -8.189 -1.860
484 HE2 GLU 59 HE2 GLU 59 11.534 -9.132 0.787
485 H THR 60 H THR 60 6.949 -7.649 -3.440
486 HA THR 60 HA THR 60 6.202 -8.138 -0.695
487 HB THR 60 HB THR 60 5.991 -5.930 -2.052
488 HG1 THR 60 HG1 THR 60 4.771 -5.906 -0.180
489 1HG2 THR 60 1HG2 THR 60 4.412 -5.742 -3.714
490 2HG2 THR 60 2HG2 THR 60 4.537 -7.513 -3.835
491 3HG2 THR 60 3HG2 THR 60 3.257 -6.778 -2.841
492 H GLU 61 H GLU 61 6.399 -10.604 -1.804
493 HA GLU 61 HA GLU 61 3.757 -11.307 -2.716
494 1HB GLU 61 1HB GLU 61 6.448 -12.626 -2.658
495 2HB GLU 61 2HB GLU 61 5.056 -13.688 -2.584
496 1HG GLU 61 1HG GLU 61 4.276 -11.967 -4.594
497 2HG GLU 61 2HG GLU 61 6.013 -11.972 -4.828
498 HE2 GLU 61 HE2 GLU 61 3.950 -14.787 -3.879
499 H ARG 62 H ARG 62 5.757 -11.335 0.184
500 HA ARG 62 HA ARG 62 5.355 -11.878 2.235
501 1HB ARG 62 1HB ARG 62 2.573 -11.682 1.141
502 2HB ARG 62 2HB ARG 62 2.717 -12.556 2.653
503 1HG ARG 62 1HG ARG 62 3.333 -10.676 3.851
504 2HG ARG 62 2HG ARG 62 4.244 -9.990 2.521
505 1HD ARG 62 1HD ARG 62 2.467 -8.534 2.387
506 2HD ARG 62 2HD ARG 62 1.722 -9.826 1.466
507 HE ARG 62 HE ARG 62 1.104 -9.070 4.256
508 1HH1 ARG 62 1HH1 ARG 62 0.677 -11.461 1.676
509 2HH1 ARG 62 2HH1 ARG 62 -0.736 -12.163 2.391
510 1HH2 ARG 62 1HH2 ARG 62 -1.562 -11.286 4.462
511 H GLU 63 H GLU 63 6.209 -13.799 2.967
512 HA GLU 63 HA GLU 63 4.677 -16.164 2.753
513 1HB GLU 63 1HB GLU 63 6.049 -15.830 0.491
514 2HB GLU 63 2HB GLU 63 7.389 -16.426 1.450
515 1HG GLU 63 1HG GLU 63 5.028 -18.075 1.923
516 2HG GLU 63 2HG GLU 63 5.335 -17.960 0.202
517 HE2 GLU 63 HE2 GLU 63 6.151 -20.144 0.190
518 H ALA 64 H ALA 64 5.054 -15.372 5.097
519 HA ALA 64 HA ALA 64 7.511 -15.366 6.313
520 1HB ALA 64 1HB ALA 64 5.201 -16.580 7.775
521 2HB ALA 64 2HB ALA 64 6.289 -15.255 8.255
522 3HB ALA 64 3HB ALA 64 4.970 -14.949 7.101
523 H ARG 65 H ARG 65 8.949 -16.903 7.067
524 HA ARG 65 HA ARG 65 8.904 -19.372 5.859
525 1HB ARG 65 1HB ARG 65 10.652 -17.870 7.567
526 2HB ARG 65 2HB ARG 65 10.467 -19.442 8.319
527 1HG ARG 65 1HG ARG 65 10.893 -20.397 5.901
528 2HG ARG 65 2HG ARG 65 11.515 -18.799 5.543
529 1HD ARG 65 1HD ARG 65 12.676 -19.575 8.049
530 2HD ARG 65 2HD ARG 65 12.807 -20.965 6.989
531 HE ARG 65 HE ARG 65 13.566 -18.607 5.534
532 1HH1 ARG 65 1HH1 ARG 65 14.759 -20.729 8.109
533 2HH1 ARG 65 2HH1 ARG 65 16.426 -20.387 7.787
534 1HH2 ARG 65 1HH2 ARG 65 16.995 -18.872 6.019
535 H GLU 66 H GLU 66 7.785 -18.242 9.077
536 HA GLU 66 HA GLU 66 6.353 -19.133 10.469
537 1HB GLU 66 1HB GLU 66 5.562 -20.399 8.211
538 2HB GLU 66 2HB GLU 66 6.129 -21.797 9.102
539 1HG GLU 66 1HG GLU 66 4.711 -20.709 11.095
540 2HG GLU 66 2HG GLU 66 3.878 -19.899 9.783
541 HE2 GLU 66 HE2 GLU 66 1.959 -21.915 8.962
542 H ILE 67 H ILE 67 8.504 -19.072 11.678
543 HA ILE 67 HA ILE 67 9.549 -21.758 12.167
544 HB ILE 67 HB ILE 67 11.449 -20.655 13.151
545 1HG1 ILE 67 1HG1 ILE 67 11.169 -17.941 12.525
546 2HG1 ILE 67 2HG1 ILE 67 9.645 -18.373 13.274
547 1HG2 ILE 67 1HG2 ILE 67 11.916 -20.928 10.935
548 2HG2 ILE 67 2HG2 ILE 67 10.555 -19.913 10.402
549 3HG2 ILE 67 3HG2 ILE 67 12.032 -19.156 11.046
550 1HD1 ILE 67 1HD1 ILE 67 10.701 -19.124 15.283
551 2HD1 ILE 67 2HD1 ILE 67 12.298 -19.210 14.503
552 3HD1 ILE 67 3HD1 ILE 67 11.561 -17.627 14.846
553 H LYS 68 H LYS 68 10.353 -21.885 14.662
554 HA LYS 68 HA LYS 68 8.718 -20.631 16.565
555 1HB LYS 68 1HB LYS 68 6.942 -21.989 15.543
556 2HB LYS 68 2HB LYS 68 7.874 -23.445 15.817
557 1HG LYS 68 1HG LYS 68 6.861 -23.587 17.844
558 2HG LYS 68 2HG LYS 68 7.854 -22.233 18.344
559 1HD LYS 68 1HD LYS 68 5.580 -21.602 18.821
560 2HD LYS 68 2HD LYS 68 6.058 -20.673 17.413
561 1HE LYS 68 1HE LYS 68 4.859 -23.334 16.792
562 2HE LYS 68 2HE LYS 68 3.765 -22.206 17.569
563 1HZ LYS 68 1HZ LYS 68 3.637 -21.035 15.669
564 2HZ LYS 68 2HZ LYS 68 5.253 -20.899 15.523
565 H SER 69 H SER 69 11.292 -20.592 16.686
566 HA SER 69 HA SER 69 12.171 -22.971 18.092
567 1HB SER 69 1HB SER 69 13.764 -20.570 17.088
568 2HB SER 69 2HB SER 69 14.454 -21.998 17.831
569 HG SER 69 HG SER 69 12.744 -22.325 15.557
570 H ARG 70 H ARG 70 12.116 -22.963 20.308
571 HA ARG 70 HA ARG 70 12.772 -20.511 21.644
572 1HB ARG 70 1HB ARG 70 10.077 -21.119 21.280
573 2HB ARG 70 2HB ARG 70 10.391 -21.831 22.850
574 1HG ARG 70 1HG ARG 70 11.339 -19.660 23.650
575 2HG ARG 70 2HG ARG 70 11.041 -18.947 22.077
576 1HD ARG 70 1HD ARG 70 8.654 -20.263 23.276
577 2HD ARG 70 2HD ARG 70 9.255 -18.900 24.200
578 HE ARG 70 HE ARG 70 9.169 -18.185 21.417
579 1HH1 ARG 70 1HH1 ARG 70 7.002 -18.780 24.156
580 2HH1 ARG 70 2HH1 ARG 70 5.750 -17.748 23.550
581 1HH2 ARG 70 1HH2 ARG 70 6.075 -16.608 21.467
582 H ARG 71 H ARG 71 13.929 -20.938 23.547
583 HA ARG 71 HA ARG 71 14.279 -23.742 24.122
584 1HB ARG 71 1HB ARG 71 16.072 -21.629 23.933
585 2HB ARG 71 2HB ARG 71 15.858 -21.739 25.669
586 1HG ARG 71 1HG ARG 71 16.359 -24.217 25.532
587 2HG ARG 71 2HG ARG 71 16.672 -24.029 23.818
588 1HD ARG 71 1HD ARG 71 18.190 -22.005 25.216
589 2HD ARG 71 2HD ARG 71 18.469 -23.536 26.022
590 HE ARG 71 HE ARG 71 19.442 -22.789 23.411
591 1HH1 ARG 71 1HH1 ARG 71 18.219 -25.588 25.206
592 2HH1 ARG 71 2HH1 ARG 71 19.069 -26.741 24.231
593 1HH2 ARG 71 1HH2 ARG 71 20.441 -25.966 22.425
Start of MODEL 5
1 1H MET 1 1H MET 1 7.762 -1.477 -24.931
2 HA MET 1 HA MET 1 7.257 -3.697 -24.498
3 1HB MET 1 1HB MET 1 9.731 -4.064 -26.185
4 2HB MET 1 2HB MET 1 9.457 -5.276 -24.949
5 1HG MET 1 1HG MET 1 7.418 -6.001 -25.912
6 2HG MET 1 2HG MET 1 7.159 -4.490 -26.761
7 1HE MET 1 1HE MET 1 8.987 -4.486 -29.821
8 2HE MET 1 2HE MET 1 7.337 -5.147 -29.708
9 3HE MET 1 3HE MET 1 7.832 -3.801 -28.652
10 H ALA 2 H ALA 2 7.385 -2.661 -22.396
11 HA ALA 2 HA ALA 2 9.961 -3.146 -21.061
12 1HB ALA 2 1HB ALA 2 7.962 -0.886 -20.864
13 2HB ALA 2 2HB ALA 2 9.040 -1.268 -19.500
14 3HB ALA 2 3HB ALA 2 9.727 -0.808 -21.076
15 H GLU 3 H GLU 3 9.724 -3.645 -18.684
16 HA GLU 3 HA GLU 3 7.360 -5.309 -18.368
17 1HB GLU 3 1HB GLU 3 9.437 -5.707 -16.349
18 2HB GLU 3 2HB GLU 3 8.719 -6.869 -17.447
19 1HG GLU 3 1HG GLU 3 10.206 -5.823 -19.294
20 2HG GLU 3 2HG GLU 3 11.053 -4.991 -18.005
21 HE2 GLU 3 HE2 GLU 3 11.007 -7.747 -19.732
22 H ASP 4 H ASP 4 5.746 -4.369 -17.196
23 HA ASP 4 HA ASP 4 6.470 -3.178 -14.691
24 1HB ASP 4 1HB ASP 4 5.752 -1.595 -17.030
25 2HB ASP 4 2HB ASP 4 4.513 -1.412 -15.804
26 HD2 ASP 4 HD2 ASP 4 4.955 0.511 -15.060
27 H GLU 5 H GLU 5 4.942 -5.529 -16.016
28 HA GLU 5 HA GLU 5 2.318 -4.927 -14.893
29 1HB GLU 5 1HB GLU 5 2.386 -7.335 -16.540
30 2HB GLU 5 2HB GLU 5 1.370 -5.916 -16.696
31 1HG GLU 5 1HG GLU 5 4.243 -6.155 -17.711
32 2HG GLU 5 2HG GLU 5 2.805 -6.246 -18.707
33 HE2 GLU 5 HE2 GLU 5 4.153 -4.100 -19.558
34 H GLY 6 H GLY 6 2.456 -5.595 -12.761
35 1HA GLY 6 1HA GLY 6 3.131 -8.435 -12.348
36 2HA GLY 6 2HA GLY 6 3.883 -7.198 -11.361
37 H TYR 7 H TYR 7 2.953 -7.505 -9.350
38 HA TYR 7 HA TYR 7 0.011 -7.467 -9.279
39 1HB TYR 7 1HB TYR 7 2.084 -8.529 -7.263
40 2HB TYR 7 2HB TYR 7 0.353 -8.783 -7.172
41 HD1 TYR 7 HD1 TYR 7 -0.515 -10.801 -7.937
42 HD2 TYR 7 HD2 TYR 7 3.223 -9.430 -9.505
43 HE1 TYR 7 HE1 TYR 7 -0.258 -12.969 -9.241
44 HE2 TYR 7 HE2 TYR 7 3.467 -11.602 -10.803
45 HH TYR 7 HH TYR 7 0.911 -14.067 -10.688
46 HA PRO 8 HA PRO 8 1.362 -3.674 -7.257
47 1HB PRO 8 1HB PRO 8 -0.456 -1.999 -8.424
48 2HB PRO 8 2HB PRO 8 1.157 -2.256 -9.060
49 1HG PRO 8 1HG PRO 8 -1.419 -3.298 -10.068
50 2HG PRO 8 2HG PRO 8 0.118 -3.182 -10.900
51 1HD PRO 8 1HD PRO 8 -1.059 -5.551 -9.793
52 2HD PRO 8 2HD PRO 8 0.528 -5.411 -10.521
53 H ALA 9 H ALA 9 0.352 -2.238 -5.668
54 HA ALA 9 HA ALA 9 -2.201 -3.393 -4.793
55 1HB ALA 9 1HB ALA 9 0.170 -2.666 -3.025
56 2HB ALA 9 2HB ALA 9 -1.399 -3.303 -2.477
57 3HB ALA 9 3HB ALA 9 -0.319 -4.322 -3.458
58 H GLU 10 H GLU 10 -3.623 -1.900 -3.731
59 HA GLU 10 HA GLU 10 -2.810 0.865 -4.188
60 1HB GLU 10 1HB GLU 10 -4.642 0.263 -5.665
61 2HB GLU 10 2HB GLU 10 -5.551 -0.454 -4.349
62 1HG GLU 10 1HG GLU 10 -5.862 1.729 -3.282
63 2HG GLU 10 2HG GLU 10 -4.769 2.496 -4.416
64 HE2 GLU 10 HE2 GLU 10 -5.754 3.439 -5.976
65 H VAL 11 H VAL 11 -2.909 2.311 -2.474
66 HA VAL 11 HA VAL 11 -3.109 1.246 0.120
67 HB VAL 11 HB VAL 11 -3.046 4.076 -0.939
68 1HG1 VAL 11 1HG1 VAL 11 -3.182 3.003 1.848
69 2HG1 VAL 11 2HG1 VAL 11 -2.105 4.385 1.536
70 3HG1 VAL 11 3HG1 VAL 11 -3.842 4.509 1.166
71 1HG2 VAL 11 1HG2 VAL 11 -0.800 2.567 0.406
72 2HG2 VAL 11 2HG2 VAL 11 -1.082 2.466 -1.348
73 3HG2 VAL 11 3HG2 VAL 11 -0.719 4.037 -0.594
74 H ILE 12 H ILE 12 -4.854 0.887 1.397
75 HA ILE 12 HA ILE 12 -7.374 2.111 0.515
76 HB ILE 12 HB ILE 12 -8.518 0.224 1.316
77 1HG1 ILE 12 1HG1 ILE 12 -7.122 -0.003 3.410
78 2HG1 ILE 12 2HG1 ILE 12 -7.653 -1.502 2.674
79 1HG2 ILE 12 1HG2 ILE 12 -7.976 -0.701 -0.632
80 2HG2 ILE 12 2HG2 ILE 12 -6.305 -0.098 -0.541
81 3HG2 ILE 12 3HG2 ILE 12 -6.742 -1.632 0.249
82 1HD1 ILE 12 1HD1 ILE 12 -4.920 -0.470 3.053
83 2HD1 ILE 12 2HD1 ILE 12 -5.470 -2.136 2.747
84 3HD1 ILE 12 3HD1 ILE 12 -5.220 -1.017 1.385
85 H GLU 13 H GLU 13 -5.092 1.547 3.186
86 HA GLU 13 HA GLU 13 -6.201 3.754 4.557
87 1HB GLU 13 1HB GLU 13 -7.822 2.085 5.320
88 2HB GLU 13 2HB GLU 13 -6.541 0.976 5.765
89 1HG GLU 13 1HG GLU 13 -5.687 2.867 7.345
90 2HG GLU 13 2HG GLU 13 -7.238 3.636 7.072
91 HE2 GLU 13 HE2 GLU 13 -8.615 2.958 8.888
92 H ILE 14 H ILE 14 -4.712 4.608 6.096
93 HA ILE 14 HA ILE 14 -2.089 3.353 5.935
94 HB ILE 14 HB ILE 14 -3.042 6.101 6.724
95 1HG1 ILE 14 1HG1 ILE 14 -1.014 5.685 4.607
96 2HG1 ILE 14 2HG1 ILE 14 -2.612 5.064 4.242
97 1HG2 ILE 14 1HG2 ILE 14 -0.549 4.722 7.419
98 2HG2 ILE 14 2HG2 ILE 14 -0.305 6.275 6.585
99 3HG2 ILE 14 3HG2 ILE 14 -1.269 6.209 8.081
100 1HD1 ILE 14 1HD1 ILE 14 -3.446 7.410 5.148
101 2HD1 ILE 14 2HD1 ILE 14 -1.770 7.909 4.819
102 3HD1 ILE 14 3HD1 ILE 14 -2.788 7.282 3.500
103 H ILE 15 H ILE 15 -0.963 2.570 7.709
104 HA ILE 15 HA ILE 15 -2.601 1.972 9.994
105 HB ILE 15 HB ILE 15 0.256 1.276 9.303
106 1HG1 ILE 15 1HG1 ILE 15 -1.818 -0.821 9.322
107 2HG1 ILE 15 2HG1 ILE 15 -2.039 0.393 8.077
108 1HG2 ILE 15 1HG2 ILE 15 -1.345 -0.226 11.332
109 2HG2 ILE 15 2HG2 ILE 15 0.417 -0.018 11.183
110 3HG2 ILE 15 3HG2 ILE 15 -0.587 1.314 11.806
111 1HD1 ILE 15 1HD1 ILE 15 -0.267 -0.372 6.876
112 2HD1 ILE 15 2HD1 ILE 15 0.781 -0.415 8.314
113 3HD1 ILE 15 3HD1 ILE 15 -0.291 -1.790 7.953
114 H GLY 16 H GLY 16 0.703 3.449 9.601
115 1HA GLY 16 1HA GLY 16 0.359 5.822 10.826
116 2HA GLY 16 2HA GLY 16 0.459 4.722 12.187
117 H ARG 17 H ARG 17 2.296 6.816 10.489
118 HA ARG 17 HA ARG 17 4.537 5.249 9.879
119 1HB ARG 17 1HB ARG 17 5.700 7.533 9.786
120 2HB ARG 17 2HB ARG 17 4.293 7.372 8.754
121 1HG ARG 17 1HG ARG 17 3.332 9.143 9.788
122 2HG ARG 17 2HG ARG 17 3.323 8.256 11.299
123 1HD ARG 17 1HD ARG 17 5.241 9.300 12.094
124 2HD ARG 17 2HD ARG 17 5.960 9.442 10.501
125 HE ARG 17 HE ARG 17 3.673 11.123 10.524
126 1HH1 ARG 17 1HH1 ARG 17 6.817 10.929 12.147
127 2HH1 ARG 17 2HH1 ARG 17 6.931 12.639 12.401
128 1HH2 ARG 17 1HH2 ARG 17 5.159 14.060 11.635
129 H THR 18 H THR 18 6.670 5.317 11.003
130 HA THR 18 HA THR 18 6.626 6.263 13.752
131 HB THR 18 HB THR 18 5.834 4.101 14.260
132 HG1 THR 18 HG1 THR 18 8.680 3.632 13.759
133 1HG2 THR 18 1HG2 THR 18 5.739 2.508 12.625
134 2HG2 THR 18 2HG2 THR 18 6.841 3.462 11.603
135 3HG2 THR 18 3HG2 THR 18 7.500 2.298 12.779
136 H GLY 19 H GLY 19 8.686 3.973 11.850
137 1HA GLY 19 1HA GLY 19 10.881 4.052 11.368
138 2HA GLY 19 2HA GLY 19 10.627 5.754 11.039
139 H THR 20 H THR 20 13.091 5.012 12.016
140 HA THR 20 HA THR 20 13.376 4.886 14.772
141 HB THR 20 HB THR 20 15.703 5.495 14.266
142 HG1 THR 20 HG1 THR 20 14.533 6.283 11.692
143 1HG2 THR 20 1HG2 THR 20 16.099 3.654 12.965
144 2HG2 THR 20 2HG2 THR 20 14.333 3.478 12.819
145 3HG2 THR 20 3HG2 THR 20 15.243 4.382 11.584
146 H THR 21 H THR 21 13.099 7.756 12.609
147 HA THR 21 HA THR 21 12.689 9.343 15.059
148 HB THR 21 HB THR 21 14.270 9.884 12.514
149 HG1 THR 21 HG1 THR 21 15.832 10.221 14.162
150 1HG2 THR 21 1HG2 THR 21 13.762 12.109 12.588
151 2HG2 THR 21 2HG2 THR 21 12.575 11.797 13.878
152 3HG2 THR 21 3HG2 THR 21 14.270 12.151 14.294
153 H GLY 22 H GLY 22 11.768 8.684 11.664
154 1HA GLY 22 1HA GLY 22 9.146 8.869 11.770
155 2HA GLY 22 2HA GLY 22 9.546 10.573 11.878
156 H ASP 23 H ASP 23 11.083 7.854 10.017
157 HA ASP 23 HA ASP 23 10.695 9.511 7.653
158 1HB ASP 23 1HB ASP 23 12.803 7.465 8.433
159 2HB ASP 23 2HB ASP 23 12.557 7.883 6.749
160 HD2 ASP 23 HD2 ASP 23 12.382 10.920 7.298
161 H VAL 24 H VAL 24 10.238 6.364 9.243
162 HA VAL 24 HA VAL 24 9.461 4.991 6.854
163 HB VAL 24 HB VAL 24 9.189 4.294 9.785
164 1HG1 VAL 24 1HG1 VAL 24 9.297 1.924 8.383
165 2HG1 VAL 24 2HG1 VAL 24 7.821 2.680 9.030
166 3HG1 VAL 24 3HG1 VAL 24 8.287 2.947 7.333
167 1HG2 VAL 24 1HG2 VAL 24 11.198 3.003 9.535
168 2HG2 VAL 24 2HG2 VAL 24 11.255 3.326 7.786
169 3HG2 VAL 24 3HG2 VAL 24 11.530 4.649 8.945
170 H THR 25 H THR 25 7.317 4.297 6.299
171 HA THR 25 HA THR 25 5.123 5.461 7.804
172 HB THR 25 HB THR 25 5.639 6.126 4.857
173 HG1 THR 25 HG1 THR 25 5.621 7.740 7.306
174 1HG2 THR 25 1HG2 THR 25 3.843 7.882 5.395
175 2HG2 THR 25 2HG2 THR 25 3.243 6.209 5.312
176 3HG2 THR 25 3HG2 THR 25 3.519 6.979 6.893
177 H GLN 26 H GLN 26 4.298 3.470 8.313
178 HA GLN 26 HA GLN 26 4.099 1.503 6.261
179 1HB GLN 26 1HB GLN 26 3.853 1.621 9.167
180 2HB GLN 26 2HB GLN 26 2.514 0.722 8.481
181 1HG GLN 26 1HG GLN 26 4.325 -0.522 7.061
182 2HG GLN 26 2HG GLN 26 5.489 0.168 8.176
183 1HE2 GLN 26 1HE2 GLN 26 5.882 -2.141 8.565
184 2HE2 GLN 26 2HE2 GLN 26 4.959 -2.965 9.777
185 H VAL 27 H VAL 27 2.212 0.800 5.180
186 HA VAL 27 HA VAL 27 -0.305 2.037 5.875
187 HB VAL 27 HB VAL 27 -0.678 3.001 3.705
188 1HG1 VAL 27 1HG1 VAL 27 0.794 4.902 3.825
189 2HG1 VAL 27 2HG1 VAL 27 0.459 4.351 5.484
190 3HG1 VAL 27 3HG1 VAL 27 2.017 3.964 4.715
191 1HG2 VAL 27 1HG2 VAL 27 2.077 1.931 3.035
192 2HG2 VAL 27 2HG2 VAL 27 0.529 1.567 2.236
193 3HG2 VAL 27 3HG2 VAL 27 1.255 3.185 2.074
194 H LYS 28 H LYS 28 -2.127 0.998 4.704
195 HA LYS 28 HA LYS 28 -1.395 -1.756 4.066
196 1HB LYS 28 1HB LYS 28 -3.793 -0.412 5.226
197 2HB LYS 28 2HB LYS 28 -4.069 -1.842 4.252
198 1HG LYS 28 1HG LYS 28 -2.357 -3.075 5.648
199 2HG LYS 28 2HG LYS 28 -2.195 -1.653 6.658
200 1HD LYS 28 1HD LYS 28 -4.936 -2.867 6.181
201 2HD LYS 28 2HD LYS 28 -3.863 -3.572 7.374
202 1HE LYS 28 1HE LYS 28 -3.807 -1.556 8.684
203 2HE LYS 28 2HE LYS 28 -4.460 -0.588 7.378
204 1HZ LYS 28 1HZ LYS 28 -6.505 -2.114 7.610
205 2HZ LYS 28 2HZ LYS 28 -5.898 -2.544 9.058
206 H VAL 29 H VAL 29 -1.606 -2.598 2.038
207 HA VAL 29 HA VAL 29 -3.066 -0.962 0.091
208 HB VAL 29 HB VAL 29 -1.286 -1.538 -1.551
209 1HG1 VAL 29 1HG1 VAL 29 0.388 -0.048 0.247
210 2HG1 VAL 29 2HG1 VAL 29 -0.551 0.528 -1.151
211 3HG1 VAL 29 3HG1 VAL 29 -1.303 0.465 0.462
212 1HG2 VAL 29 1HG2 VAL 29 -0.414 -3.333 0.341
213 2HG2 VAL 29 2HG2 VAL 29 0.524 -2.782 -1.068
214 3HG2 VAL 29 3HG2 VAL 29 0.757 -2.004 0.516
215 H ARG 30 H ARG 30 -4.421 -2.114 -1.244
216 HA ARG 30 HA ARG 30 -4.471 -4.955 -0.706
217 1HB ARG 30 1HB ARG 30 -6.594 -3.769 -0.343
218 2HB ARG 30 2HB ARG 30 -6.525 -3.059 -1.944
219 1HG ARG 30 1HG ARG 30 -7.034 -5.099 -3.025
220 2HG ARG 30 2HG ARG 30 -6.465 -6.074 -1.684
221 1HD ARG 30 1HD ARG 30 -8.594 -6.206 -0.908
222 2HD ARG 30 2HD ARG 30 -8.584 -4.475 -0.630
223 HE ARG 30 HE ARG 30 -9.107 -5.267 -3.421
224 1HH1 ARG 30 1HH1 ARG 30 -10.535 -4.440 -0.286
225 2HH1 ARG 30 2HH1 ARG 30 -12.078 -4.026 -0.958
226 1HH2 ARG 30 1HH2 ARG 30 -12.411 -4.199 -3.325
227 H ILE 31 H ILE 31 -4.523 -6.518 -2.458
228 HA ILE 31 HA ILE 31 -2.967 -5.764 -4.691
229 HB ILE 31 HB ILE 31 -4.493 -8.277 -4.013
230 1HG1 ILE 31 1HG1 ILE 31 -1.674 -7.331 -3.556
231 2HG1 ILE 31 2HG1 ILE 31 -2.800 -8.044 -2.420
232 1HG2 ILE 31 1HG2 ILE 31 -3.350 -9.395 -5.788
233 2HG2 ILE 31 2HG2 ILE 31 -4.154 -7.963 -6.476
234 3HG2 ILE 31 3HG2 ILE 31 -2.400 -7.941 -6.173
235 1HD1 ILE 31 1HD1 ILE 31 -1.170 -9.403 -4.575
236 2HD1 ILE 31 2HD1 ILE 31 -1.350 -9.839 -2.860
237 3HD1 ILE 31 3HD1 ILE 31 -2.677 -10.157 -4.002
238 H LEU 32 H LEU 32 -3.597 -4.770 -6.523
239 HA LEU 32 HA LEU 32 -6.377 -4.327 -6.982
240 1HB LEU 32 1HB LEU 32 -3.851 -3.591 -8.448
241 2HB LEU 32 2HB LEU 32 -5.442 -3.223 -9.084
242 HG LEU 32 HG LEU 32 -4.936 -2.352 -6.291
243 1HD1 LEU 32 1HD1 LEU 32 -3.844 -0.464 -8.279
244 2HD1 LEU 32 2HD1 LEU 32 -3.296 -0.855 -6.631
245 3HD1 LEU 32 3HD1 LEU 32 -2.859 -1.919 -7.990
246 1HD2 LEU 32 1HD2 LEU 32 -6.609 -0.932 -6.711
247 2HD2 LEU 32 2HD2 LEU 32 -5.913 -0.422 -8.268
248 3HD2 LEU 32 3HD2 LEU 32 -6.890 -1.908 -8.174
249 H GLU 33 H GLU 33 -3.823 -6.485 -8.253
250 HA GLU 33 HA GLU 33 -5.857 -8.153 -9.327
251 1HB GLU 33 1HB GLU 33 -4.893 -6.214 -11.073
252 2HB GLU 33 2HB GLU 33 -3.874 -7.589 -11.451
253 1HG GLU 33 1HG GLU 33 -6.157 -8.943 -11.447
254 2HG GLU 33 2HG GLU 33 -6.891 -7.363 -11.643
255 HE2 GLU 33 HE2 GLU 33 -5.655 -9.842 -13.460
256 H GLY 34 H GLY 34 -4.742 -10.167 -10.435
257 1HA GLY 34 1HA GLY 34 -2.588 -11.318 -10.607
258 2HA GLY 34 2HA GLY 34 -2.198 -10.695 -9.017
259 H ARG 35 H ARG 35 -4.981 -12.433 -10.602
260 HA ARG 35 HA ARG 35 -6.050 -14.233 -10.059
261 1HB ARG 35 1HB ARG 35 -3.446 -14.825 -9.177
262 2HB ARG 35 2HB ARG 35 -4.430 -15.196 -7.775
263 1HG ARG 35 1HG ARG 35 -5.617 -16.895 -8.871
264 2HG ARG 35 2HG ARG 35 -5.395 -16.181 -10.456
265 1HD ARG 35 1HD ARG 35 -3.760 -17.749 -10.750
266 2HD ARG 35 2HD ARG 35 -2.771 -16.723 -9.729
267 HE ARG 35 HE ARG 35 -2.894 -18.357 -8.073
268 1HH1 ARG 35 1HH1 ARG 35 -5.702 -18.735 -10.202
269 2HH1 ARG 35 2HH1 ARG 35 -6.279 -20.154 -9.393
270 1HH2 ARG 35 1HH2 ARG 35 -5.062 -21.014 -7.518
271 H ASP 36 H ASP 36 -4.557 -13.471 -6.825
272 HA ASP 36 HA ASP 36 -6.850 -13.865 -5.403
273 1HB ASP 36 1HB ASP 36 -4.190 -12.811 -4.958
274 2HB ASP 36 2HB ASP 36 -5.334 -11.762 -4.143
275 HD2 ASP 36 HD2 ASP 36 -4.124 -13.106 -2.009
276 H LYS 37 H LYS 37 -5.374 -10.805 -6.704
277 HA LYS 37 HA LYS 37 -6.179 -8.693 -6.637
278 1HB LYS 37 1HB LYS 37 -7.758 -8.388 -8.376
279 2HB LYS 37 2HB LYS 37 -6.825 -9.809 -8.801
280 1HG LYS 37 1HG LYS 37 -8.764 -11.102 -7.497
281 2HG LYS 37 2HG LYS 37 -9.679 -9.641 -7.812
282 1HD LYS 37 1HD LYS 37 -8.214 -10.564 -10.200
283 2HD LYS 37 2HD LYS 37 -9.311 -11.788 -9.591
284 1HE LYS 37 1HE LYS 37 -10.990 -9.678 -9.427
285 2HE LYS 37 2HE LYS 37 -9.937 -9.047 -10.677
286 1HZ LYS 37 1HZ LYS 37 -10.374 -11.558 -11.551
287 2HZ LYS 37 2HZ LYS 37 -11.804 -11.251 -10.834
288 H GLY 38 H GLY 38 -6.535 -8.262 -4.416
289 1HA GLY 38 1HA GLY 38 -8.483 -7.109 -3.348
290 2HA GLY 38 2HA GLY 38 -9.333 -8.631 -3.531
291 H ARG 39 H ARG 39 -5.863 -8.085 -2.655
292 HA ARG 39 HA ARG 39 -6.495 -9.387 -0.128
293 1HB ARG 39 1HB ARG 39 -5.094 -10.857 -1.483
294 2HB ARG 39 2HB ARG 39 -3.993 -9.550 -1.871
295 1HG ARG 39 1HG ARG 39 -2.847 -9.766 0.098
296 2HG ARG 39 2HG ARG 39 -4.315 -9.924 1.043
297 1HD ARG 39 1HD ARG 39 -4.471 -12.331 -0.035
298 2HD ARG 39 2HD ARG 39 -2.779 -12.096 -0.424
299 HE ARG 39 HE ARG 39 -2.926 -11.407 2.263
300 1HH1 ARG 39 1HH1 ARG 39 -3.843 -14.279 0.403
301 2HH1 ARG 39 2HH1 ARG 39 -3.588 -15.369 1.724
302 1HH2 ARG 39 1HH2 ARG 39 -2.851 -14.504 3.834
303 H VAL 40 H VAL 40 -6.396 -7.898 1.527
304 HA VAL 40 HA VAL 40 -4.823 -5.508 1.176
305 HB VAL 40 HB VAL 40 -7.008 -5.281 2.090
306 1HG1 VAL 40 1HG1 VAL 40 -6.168 -7.537 3.880
307 2HG1 VAL 40 2HG1 VAL 40 -7.359 -6.358 4.480
308 3HG1 VAL 40 3HG1 VAL 40 -7.693 -7.285 2.997
309 1HG2 VAL 40 1HG2 VAL 40 -5.509 -4.970 4.637
310 2HG2 VAL 40 2HG2 VAL 40 -4.814 -4.166 3.209
311 3HG2 VAL 40 3HG2 VAL 40 -6.479 -3.792 3.719
312 H ILE 41 H ILE 41 -2.800 -5.155 1.966
313 HA ILE 41 HA ILE 41 -1.858 -6.955 4.069
314 HB ILE 41 HB ILE 41 0.280 -7.211 2.908
315 1HG1 ILE 41 1HG1 ILE 41 -1.039 -6.046 0.447
316 2HG1 ILE 41 2HG1 ILE 41 -0.026 -5.095 1.515
317 1HG2 ILE 41 1HG2 ILE 41 -1.041 -8.446 0.802
318 2HG2 ILE 41 2HG2 ILE 41 -0.691 -9.148 2.400
319 3HG2 ILE 41 3HG2 ILE 41 -2.264 -8.372 2.094
320 1HD1 ILE 41 1HD1 ILE 41 0.766 -7.003 -0.533
321 2HD1 ILE 41 2HD1 ILE 41 1.780 -5.871 0.393
322 3HD1 ILE 41 3HD1 ILE 41 1.431 -7.489 1.045
323 H ARG 42 H ARG 42 0.362 -6.050 4.929
324 HA ARG 42 HA ARG 42 -0.034 -3.175 5.122
325 1HB ARG 42 1HB ARG 42 1.381 -3.520 7.302
326 2HB ARG 42 2HB ARG 42 -0.291 -4.041 7.315
327 1HG ARG 42 1HG ARG 42 1.708 -6.068 6.371
328 2HG ARG 42 2HG ARG 42 1.790 -5.643 8.070
329 1HD ARG 42 1HD ARG 42 -0.982 -5.961 7.533
330 2HD ARG 42 2HD ARG 42 -0.203 -7.273 6.671
331 HE ARG 42 HE ARG 42 -0.327 -6.921 9.579
332 1HH1 ARG 42 1HH1 ARG 42 1.421 -8.493 6.928
333 2HH1 ARG 42 2HH1 ARG 42 2.062 -9.751 7.932
334 1HH2 ARG 42 1HH2 ARG 42 1.518 -9.783 10.265
335 H ARG 43 H ARG 43 1.362 -2.312 3.562
336 HA ARG 43 HA ARG 43 4.018 -3.449 3.441
337 1HB ARG 43 1HB ARG 43 2.457 -2.915 1.373
338 2HB ARG 43 2HB ARG 43 2.964 -1.255 1.616
339 1HG ARG 43 1HG ARG 43 4.555 -2.068 0.069
340 2HG ARG 43 2HG ARG 43 5.403 -2.186 1.599
341 1HD ARG 43 1HD ARG 43 3.811 -4.607 1.013
342 2HD ARG 43 2HD ARG 43 5.004 -4.280 -0.228
343 HE ARG 43 HE ARG 43 6.261 -3.950 2.318
344 1HH1 ARG 43 1HH1 ARG 43 4.915 -6.531 0.297
345 2HH1 ARG 43 2HH1 ARG 43 5.948 -7.755 0.957
346 1HH2 ARG 43 1HH2 ARG 43 7.532 -7.164 2.656
347 H ASN 44 H ASN 44 5.905 -2.195 3.876
348 HA ASN 44 HA ASN 44 5.319 0.263 5.294
349 1HB ASN 44 1HB ASN 44 7.616 -0.009 6.235
350 2HB ASN 44 2HB ASN 44 6.659 -1.453 6.498
351 1HD2 ASN 44 1HD2 ASN 44 9.541 -1.118 6.386
352 2HD2 ASN 44 2HD2 ASN 44 10.144 -2.163 5.144
353 H VAL 45 H VAL 45 5.701 2.180 4.175
354 HA VAL 45 HA VAL 45 7.840 2.144 2.164
355 HB VAL 45 HB VAL 45 5.214 3.615 1.909
356 1HG1 VAL 45 1HG1 VAL 45 5.917 4.319 -0.168
357 2HG1 VAL 45 2HG1 VAL 45 7.469 4.293 0.704
358 3HG1 VAL 45 3HG1 VAL 45 7.035 2.949 -0.379
359 1HG2 VAL 45 1HG2 VAL 45 6.045 0.952 0.710
360 2HG2 VAL 45 2HG2 VAL 45 4.708 1.253 1.845
361 3HG2 VAL 45 3HG2 VAL 45 4.633 1.902 0.190
362 H ARG 46 H ARG 46 8.987 4.158 1.918
363 HA ARG 46 HA ARG 46 8.907 5.653 4.371
364 1HB ARG 46 1HB ARG 46 10.843 6.117 2.067
365 2HB ARG 46 2HB ARG 46 11.097 6.445 3.769
366 1HG ARG 46 1HG ARG 46 10.710 3.808 4.013
367 2HG ARG 46 2HG ARG 46 11.156 3.793 2.318
368 1HD ARG 46 1HD ARG 46 13.344 3.935 2.903
369 2HD ARG 46 2HD ARG 46 13.046 5.504 3.624
370 HE ARG 46 HE ARG 46 12.175 3.407 5.411
371 1HH1 ARG 46 1HH1 ARG 46 15.105 5.002 4.222
372 2HH1 ARG 46 2HH1 ARG 46 16.030 4.637 5.641
373 1HH2 ARG 46 1HH2 ARG 46 15.003 3.413 7.428
374 H GLY 47 H GLY 47 8.134 7.764 4.531
375 1HA GLY 47 1HA GLY 47 7.860 9.935 3.611
376 2HA GLY 47 2HA GLY 47 7.635 9.231 2.022
377 HA PRO 48 HA PRO 48 3.537 9.886 4.018
378 1HB PRO 48 1HB PRO 48 2.620 11.987 2.531
379 2HB PRO 48 2HB PRO 48 3.363 12.181 4.106
380 1HG PRO 48 1HG PRO 48 4.501 12.748 1.437
381 2HG PRO 48 2HG PRO 48 5.042 13.316 3.004
382 1HD PRO 48 1HD PRO 48 6.235 11.239 1.428
383 2HD PRO 48 2HD PRO 48 6.703 11.729 3.043
384 H VAL 49 H VAL 49 1.575 9.014 3.378
385 HA VAL 49 HA VAL 49 1.624 8.210 0.550
386 HB VAL 49 HB VAL 49 1.277 6.674 3.044
387 1HG1 VAL 49 1HG1 VAL 49 -1.044 6.679 2.221
388 2HG1 VAL 49 2HG1 VAL 49 -0.482 6.091 0.637
389 3HG1 VAL 49 3HG1 VAL 49 -0.301 5.067 2.081
390 1HG2 VAL 49 1HG2 VAL 49 2.541 5.107 1.960
391 2HG2 VAL 49 2HG2 VAL 49 1.802 5.440 0.375
392 3HG2 VAL 49 3HG2 VAL 49 3.030 6.547 1.035
393 H ARG 50 H ARG 50 -0.610 7.798 -0.352
394 HA ARG 50 HA ARG 50 -2.661 9.211 1.096
395 1HB ARG 50 1HB ARG 50 -2.085 9.905 -1.821
396 2HB ARG 50 2HB ARG 50 -3.195 10.719 -0.736
397 1HG ARG 50 1HG ARG 50 -1.399 11.646 0.580
398 2HG ARG 50 2HG ARG 50 -0.213 10.574 -0.138
399 1HD ARG 50 1HD ARG 50 -0.734 11.704 -2.398
400 2HD ARG 50 2HD ARG 50 -1.663 12.889 -1.501
401 HE ARG 50 HE ARG 50 1.249 12.670 -1.598
402 1HH1 ARG 50 1HH1 ARG 50 -1.473 13.841 0.346
403 2HH1 ARG 50 2HH1 ARG 50 -0.525 15.021 1.188
404 1HH2 ARG 50 1HH2 ARG 50 1.808 15.232 0.682
405 H VAL 51 H VAL 51 -4.642 8.174 0.834
406 HA VAL 51 HA VAL 51 -4.901 5.717 -0.212
407 HB VAL 51 HB VAL 51 -6.949 7.935 -0.076
408 1HG1 VAL 51 1HG1 VAL 51 -7.256 5.534 -1.424
409 2HG1 VAL 51 2HG1 VAL 51 -7.944 5.192 0.181
410 3HG1 VAL 51 3HG1 VAL 51 -8.567 6.552 -0.783
411 1HG2 VAL 51 1HG2 VAL 51 -5.576 6.869 1.989
412 2HG2 VAL 51 2HG2 VAL 51 -7.262 7.426 2.115
413 3HG2 VAL 51 3HG2 VAL 51 -6.911 5.696 1.879
414 H GLY 52 H GLY 52 -4.948 4.761 -2.193
415 1HA GLY 52 1HA GLY 52 -5.786 4.805 -4.447
416 2HA GLY 52 2HA GLY 52 -5.413 6.515 -4.527
417 H ASP 53 H ASP 53 -2.837 5.729 -2.824
418 HA ASP 53 HA ASP 53 -1.068 5.873 -4.878
419 1HB ASP 53 1HB ASP 53 -0.985 5.618 -2.059
420 2HB ASP 53 2HB ASP 53 -0.023 4.274 -2.643
421 HD2 ASP 53 HD2 ASP 53 0.930 8.030 -3.533
422 H ILE 54 H ILE 54 -0.243 4.345 -6.342
423 HA ILE 54 HA ILE 54 -0.907 1.536 -5.787
424 HB ILE 54 HB ILE 54 -0.632 2.881 -8.475
425 1HG1 ILE 54 1HG1 ILE 54 -2.581 3.812 -7.529
426 2HG1 ILE 54 2HG1 ILE 54 -3.132 2.525 -8.581
427 1HG2 ILE 54 1HG2 ILE 54 -1.678 0.781 -9.301
428 2HG2 ILE 54 2HG2 ILE 54 -0.059 0.549 -8.598
429 3HG2 ILE 54 3HG2 ILE 54 -1.506 0.097 -7.666
430 1HD1 ILE 54 1HD1 ILE 54 -4.369 1.991 -6.701
431 2HD1 ILE 54 2HD1 ILE 54 -2.891 1.079 -6.312
432 3HD1 ILE 54 3HD1 ILE 54 -3.165 2.680 -5.585
433 H LEU 55 H LEU 55 0.755 0.092 -5.690
434 HA LEU 55 HA LEU 55 3.329 0.964 -6.772
435 1HB LEU 55 1HB LEU 55 2.935 1.316 -4.201
436 2HB LEU 55 2HB LEU 55 3.214 -0.412 -4.118
437 HG LEU 55 HG LEU 55 5.222 1.155 -5.648
438 1HD1 LEU 55 1HD1 LEU 55 6.033 1.297 -2.925
439 2HD1 LEU 55 2HD1 LEU 55 5.753 2.624 -4.079
440 3HD1 LEU 55 3HD1 LEU 55 4.419 2.037 -3.057
441 1HD2 LEU 55 1HD2 LEU 55 5.380 -1.290 -5.299
442 2HD2 LEU 55 2HD2 LEU 55 6.770 -0.399 -4.632
443 3HD2 LEU 55 3HD2 LEU 55 5.499 -1.009 -3.545
444 H ILE 56 H ILE 56 4.190 -0.555 -8.086
445 HA ILE 56 HA ILE 56 2.829 -3.043 -8.360
446 HB ILE 56 HB ILE 56 5.359 -1.996 -9.635
447 1HG1 ILE 56 1HG1 ILE 56 2.986 -0.816 -9.892
448 2HG1 ILE 56 2HG1 ILE 56 4.116 -0.955 -11.225
449 1HG2 ILE 56 1HG2 ILE 56 3.625 -4.393 -10.274
450 2HG2 ILE 56 2HG2 ILE 56 4.814 -3.697 -11.402
451 3HG2 ILE 56 3HG2 ILE 56 5.353 -4.369 -9.845
452 1HD1 ILE 56 1HD1 ILE 56 2.102 -3.165 -10.729
453 2HD1 ILE 56 2HD1 ILE 56 1.619 -1.685 -11.591
454 3HD1 ILE 56 3HD1 ILE 56 2.915 -2.712 -12.246
455 H LEU 57 H LEU 57 3.413 -5.079 -7.658
456 HA LEU 57 HA LEU 57 5.797 -5.146 -5.940
457 1HB LEU 57 1HB LEU 57 3.109 -5.621 -5.296
458 2HB LEU 57 2HB LEU 57 3.851 -7.207 -5.379
459 HG LEU 57 HG LEU 57 5.092 -4.972 -3.774
460 1HD1 LEU 57 1HD1 LEU 57 2.910 -6.884 -2.910
461 2HD1 LEU 57 2HD1 LEU 57 3.949 -5.984 -1.779
462 3HD1 LEU 57 3HD1 LEU 57 2.879 -5.105 -2.898
463 1HD2 LEU 57 1HD2 LEU 57 5.414 -7.961 -3.915
464 2HD2 LEU 57 2HD2 LEU 57 6.647 -6.681 -4.005
465 3HD2 LEU 57 3HD2 LEU 57 5.868 -7.057 -2.450
466 H ARG 58 H ARG 58 6.987 -7.200 -5.899
467 HA ARG 58 HA ARG 58 7.160 -8.220 -8.534
468 1HB ARG 58 1HB ARG 58 8.600 -9.168 -6.006
469 2HB ARG 58 2HB ARG 58 9.089 -9.503 -7.657
470 1HG ARG 58 1HG ARG 58 9.847 -7.319 -8.033
471 2HG ARG 58 2HG ARG 58 8.741 -6.614 -6.872
472 1HD ARG 58 1HD ARG 58 10.397 -6.616 -5.320
473 2HD ARG 58 2HD ARG 58 10.427 -8.367 -5.372
474 HE ARG 58 HE ARG 58 11.881 -7.157 -7.600
475 1HH1 ARG 58 1HH1 ARG 58 12.142 -8.158 -4.211
476 2HH1 ARG 58 2HH1 ARG 58 13.864 -8.330 -4.265
477 1HH2 ARG 58 1HH2 ARG 58 15.026 -7.869 -6.310
478 H GLU 59 H GLU 59 5.561 -9.095 -5.538
479 HA GLU 59 HA GLU 59 3.879 -10.877 -6.460
480 1HB GLU 59 1HB GLU 59 6.557 -12.125 -6.418
481 2HB GLU 59 2HB GLU 59 5.358 -13.056 -5.542
482 1HG GLU 59 1HG GLU 59 4.036 -13.424 -7.446
483 2HG GLU 59 2HG GLU 59 4.586 -11.965 -8.246
484 HE2 GLU 59 HE2 GLU 59 6.535 -15.360 -8.848
485 H THR 60 H THR 60 6.123 -9.883 -3.959
486 HA THR 60 HA THR 60 6.040 -9.907 -1.729
487 HB THR 60 HB THR 60 4.090 -8.416 -2.414
488 HG1 THR 60 HG1 THR 60 3.162 -8.705 -0.180
489 1HG2 THR 60 1HG2 THR 60 1.834 -9.538 -1.602
490 2HG2 THR 60 2HG2 THR 60 2.376 -9.824 -3.274
491 3HG2 THR 60 3HG2 THR 60 2.646 -11.064 -2.026
492 H GLU 61 H GLU 61 6.298 -12.496 -2.931
493 HA GLU 61 HA GLU 61 4.671 -14.439 -2.209
494 1HB GLU 61 1HB GLU 61 6.871 -15.758 -1.624
495 2HB GLU 61 2HB GLU 61 6.638 -15.150 -3.250
496 1HG GLU 61 1HG GLU 61 8.546 -13.944 -3.067
497 2HG GLU 61 2HG GLU 61 7.828 -13.013 -1.768
498 HE2 GLU 61 HE2 GLU 61 10.047 -16.253 -0.978
499 H ARG 62 H ARG 62 7.141 -12.984 0.031
500 HA ARG 62 HA ARG 62 6.962 -12.571 2.178
501 1HB ARG 62 1HB ARG 62 4.297 -12.928 1.682
502 2HB ARG 62 2HB ARG 62 4.572 -14.313 2.720
503 1HG ARG 62 1HG ARG 62 5.357 -12.927 4.537
504 2HG ARG 62 2HG ARG 62 5.514 -11.524 3.500
505 1HD ARG 62 1HD ARG 62 3.479 -11.204 4.755
506 2HD ARG 62 2HD ARG 62 2.982 -11.619 3.127
507 HE ARG 62 HE ARG 62 2.177 -13.702 3.900
508 1HH1 ARG 62 1HH1 ARG 62 4.006 -12.084 6.467
509 2HH1 ARG 62 2HH1 ARG 62 3.482 -13.179 7.702
510 1HH2 ARG 62 1HH2 ARG 62 1.999 -14.972 7.128
511 H GLU 63 H GLU 63 5.479 -15.874 1.721
512 HA GLU 63 HA GLU 63 7.158 -16.959 3.716
513 1HB GLU 63 1HB GLU 63 6.076 -19.097 3.138
514 2HB GLU 63 2HB GLU 63 4.880 -17.824 3.290
515 1HG GLU 63 1HG GLU 63 4.522 -17.688 0.953
516 2HG GLU 63 2HG GLU 63 6.078 -18.398 0.568
517 HE2 GLU 63 HE2 GLU 63 3.108 -19.842 2.334
518 H ALA 64 H ALA 64 8.283 -19.249 3.018
519 HA ALA 64 HA ALA 64 10.595 -18.663 1.755
520 1HB ALA 64 1HB ALA 64 10.989 -20.999 1.722
521 2HB ALA 64 2HB ALA 64 9.844 -20.759 3.063
522 3HB ALA 64 3HB ALA 64 9.263 -21.374 1.497
523 H ARG 65 H ARG 65 11.176 -18.085 -0.277
524 HA ARG 65 HA ARG 65 9.420 -17.662 -2.258
525 1HB ARG 65 1HB ARG 65 12.018 -17.128 -1.990
526 2HB ARG 65 2HB ARG 65 12.229 -18.577 -2.951
527 1HG ARG 65 1HG ARG 65 10.192 -17.132 -4.287
528 2HG ARG 65 2HG ARG 65 11.345 -15.909 -3.793
529 1HD ARG 65 1HD ARG 65 12.918 -18.079 -4.763
530 2HD ARG 65 2HD ARG 65 11.594 -17.917 -5.900
531 HE ARG 65 HE ARG 65 12.551 -15.297 -5.355
532 1HH1 ARG 65 1HH1 ARG 65 13.712 -18.272 -6.892
533 2HH1 ARG 65 2HH1 ARG 65 14.786 -17.444 -7.969
534 1HH2 ARG 65 1HH2 ARG 65 14.920 -15.053 -7.885
535 H GLU 66 H GLU 66 11.382 -20.633 -1.629
536 HA GLU 66 HA GLU 66 9.445 -22.148 -3.087
537 1HB GLU 66 1HB GLU 66 11.557 -21.252 -4.584
538 2HB GLU 66 2HB GLU 66 12.230 -22.752 -3.978
539 1HG GLU 66 1HG GLU 66 10.267 -24.011 -4.829
540 2HG GLU 66 2HG GLU 66 9.519 -22.520 -5.369
541 HE2 GLU 66 HE2 GLU 66 9.677 -22.656 -7.498
542 H ILE 67 H ILE 67 12.864 -22.400 -1.847
543 HA ILE 67 HA ILE 67 13.823 -23.868 -0.499
544 HB ILE 67 HB ILE 67 11.780 -22.658 0.862
545 1HG1 ILE 67 1HG1 ILE 67 13.012 -23.310 2.878
546 2HG1 ILE 67 2HG1 ILE 67 13.854 -24.563 1.987
547 1HG2 ILE 67 1HG2 ILE 67 10.502 -24.147 2.075
548 2HG2 ILE 67 2HG2 ILE 67 10.558 -24.934 0.480
549 3HG2 ILE 67 3HG2 ILE 67 11.615 -25.506 1.792
550 1HD1 ILE 67 1HD1 ILE 67 14.702 -21.916 2.289
551 2HD1 ILE 67 2HD1 ILE 67 15.332 -23.081 1.100
552 3HD1 ILE 67 3HD1 ILE 67 14.036 -21.952 0.638
553 H LYS 68 H LYS 68 13.564 -26.194 0.578
554 HA LYS 68 HA LYS 68 11.677 -27.934 -0.561
555 1HB LYS 68 1HB LYS 68 13.026 -29.135 -2.162
556 2HB LYS 68 2HB LYS 68 12.920 -27.452 -2.636
557 1HG LYS 68 1HG LYS 68 15.177 -27.264 -2.588
558 2HG LYS 68 2HG LYS 68 15.202 -27.715 -0.894
559 1HD LYS 68 1HD LYS 68 14.866 -30.185 -1.886
560 2HD LYS 68 2HD LYS 68 15.545 -29.467 -3.332
561 1HE LYS 68 1HE LYS 68 17.024 -28.759 -0.855
562 2HE LYS 68 2HE LYS 68 17.018 -30.478 -1.197
563 1HZ LYS 68 1HZ LYS 68 18.823 -29.039 -2.298
564 2HZ LYS 68 2HZ LYS 68 18.071 -30.124 -3.251
565 H SER 69 H SER 69 12.340 -27.483 2.032
566 HA SER 69 HA SER 69 14.473 -29.110 2.879
567 1HB SER 69 1HB SER 69 13.504 -27.148 4.150
568 2HB SER 69 2HB SER 69 12.078 -28.112 4.482
569 HG SER 69 HG SER 69 13.335 -29.584 5.697
570 H ARG 70 H ARG 70 13.961 -31.129 1.687
571 HA ARG 70 HA ARG 70 11.696 -32.528 2.850
572 1HB ARG 70 1HB ARG 70 12.544 -32.247 0.162
573 2HB ARG 70 2HB ARG 70 13.007 -33.882 0.587
574 1HG ARG 70 1HG ARG 70 10.471 -33.759 1.681
575 2HG ARG 70 2HG ARG 70 10.286 -32.697 0.299
576 1HD ARG 70 1HD ARG 70 10.789 -34.411 -1.262
577 2HD ARG 70 2HD ARG 70 11.648 -35.378 -0.079
578 HE ARG 70 HE ARG 70 8.941 -35.137 0.792
579 1HH1 ARG 70 1HH1 ARG 70 10.790 -36.663 -1.817
580 2HH1 ARG 70 2HH1 ARG 70 9.649 -37.947 -2.042
581 1HH2 ARG 70 1HH2 ARG 70 7.684 -38.025 -0.671
582 H ARG 71 H ARG 71 12.013 -34.606 3.822
583 HA ARG 71 HA ARG 71 14.788 -35.117 4.447
584 1HB ARG 71 1HB ARG 71 13.860 -36.553 6.281
585 2HB ARG 71 2HB ARG 71 13.249 -34.911 6.365
586 1HG ARG 71 1HG ARG 71 11.434 -36.285 4.664
587 2HG ARG 71 2HG ARG 71 11.777 -37.409 5.963
588 1HD ARG 71 1HD ARG 71 11.226 -34.543 6.720
589 2HD ARG 71 2HD ARG 71 9.868 -35.512 6.184
590 HE ARG 71 HE ARG 71 11.033 -37.189 8.002
591 1HH1 ARG 71 1HH1 ARG 71 10.169 -33.759 8.207
592 2HH1 ARG 71 2HH1 ARG 71 9.899 -33.802 9.917
593 1HH2 ARG 71 1HH2 ARG 71 10.204 -35.862 11.103
Start of MODEL 6
1 1H MET 1 1H MET 1 2.146 -4.554 -26.288
2 HA MET 1 HA MET 1 0.521 -5.389 -24.781
3 1HB MET 1 1HB MET 1 -0.242 -7.773 -25.043
4 2HB MET 1 2HB MET 1 -0.668 -6.810 -26.443
5 1HG MET 1 1HG MET 1 2.016 -8.120 -26.586
6 2HG MET 1 2HG MET 1 0.653 -9.222 -26.579
7 1HE MET 1 1HE MET 1 0.970 -10.149 -28.851
8 2HE MET 1 2HE MET 1 -0.752 -9.748 -28.644
9 3HE MET 1 3HE MET 1 0.063 -9.404 -30.189
10 H ALA 2 H ALA 2 3.233 -4.894 -24.610
11 HA ALA 2 HA ALA 2 4.789 -7.160 -24.036
12 1HB ALA 2 1HB ALA 2 5.160 -4.415 -24.311
13 2HB ALA 2 2HB ALA 2 5.498 -4.706 -22.588
14 3HB ALA 2 3HB ALA 2 6.405 -5.596 -23.835
15 H GLU 3 H GLU 3 3.603 -4.660 -21.679
16 HA GLU 3 HA GLU 3 2.677 -4.876 -19.710
17 1HB GLU 3 1HB GLU 3 2.665 -7.890 -19.713
18 2HB GLU 3 2HB GLU 3 1.477 -6.778 -19.060
19 1HG GLU 3 1HG GLU 3 1.407 -6.141 -21.761
20 2HG GLU 3 2HG GLU 3 1.739 -7.860 -21.816
21 HE2 GLU 3 HE2 GLU 3 -1.204 -5.805 -20.821
22 H ASP 4 H ASP 4 3.839 -4.507 -17.864
23 HA ASP 4 HA ASP 4 5.877 -6.427 -17.171
24 1HB ASP 4 1HB ASP 4 6.413 -3.797 -18.293
25 2HB ASP 4 2HB ASP 4 6.979 -3.834 -16.635
26 HD2 ASP 4 HD2 ASP 4 7.046 -5.937 -19.372
27 H GLU 5 H GLU 5 3.125 -5.208 -16.288
28 HA GLU 5 HA GLU 5 3.938 -4.047 -13.761
29 1HB GLU 5 1HB GLU 5 1.045 -4.287 -14.216
30 2HB GLU 5 2HB GLU 5 1.999 -2.866 -13.840
31 1HG GLU 5 1HG GLU 5 2.822 -3.044 -16.339
32 2HG GLU 5 2HG GLU 5 1.432 -4.085 -16.563
33 HE2 GLU 5 HE2 GLU 5 1.439 -0.506 -15.114
34 H GLY 6 H GLY 6 4.541 -5.707 -12.378
35 1HA GLY 6 1HA GLY 6 3.491 -8.285 -12.360
36 2HA GLY 6 2HA GLY 6 4.326 -7.496 -11.037
37 H TYR 7 H TYR 7 3.184 -7.276 -9.167
38 HA TYR 7 HA TYR 7 0.252 -7.280 -9.407
39 1HB TYR 7 1HB TYR 7 2.016 -7.899 -6.973
40 2HB TYR 7 2HB TYR 7 0.354 -8.396 -7.219
41 HD1 TYR 7 HD1 TYR 7 -0.180 -10.424 -8.375
42 HD2 TYR 7 HD2 TYR 7 3.854 -9.001 -8.296
43 HE1 TYR 7 HE1 TYR 7 0.631 -12.649 -9.300
44 HE2 TYR 7 HE2 TYR 7 4.652 -11.231 -9.222
45 HH TYR 7 HH TYR 7 2.688 -13.964 -9.277
46 HA PRO 8 HA PRO 8 1.003 -3.185 -7.847
47 1HB PRO 8 1HB PRO 8 -1.225 -2.030 -8.930
48 2HB PRO 8 2HB PRO 8 0.318 -2.101 -9.759
49 1HG PRO 8 1HG PRO 8 -2.121 -3.699 -10.245
50 2HG PRO 8 2HG PRO 8 -0.746 -3.447 -11.300
51 1HD PRO 8 1HD PRO 8 -1.315 -5.794 -9.752
52 2HD PRO 8 2HD PRO 8 0.118 -5.497 -10.717
53 H ALA 9 H ALA 9 0.368 -2.101 -6.011
54 HA ALA 9 HA ALA 9 -2.101 -3.191 -4.853
55 1HB ALA 9 1HB ALA 9 -1.048 -3.795 -2.921
56 2HB ALA 9 2HB ALA 9 0.373 -3.914 -3.985
57 3HB ALA 9 3HB ALA 9 0.113 -2.449 -3.009
58 H GLU 10 H GLU 10 -3.491 -1.661 -4.033
59 HA GLU 10 HA GLU 10 -2.460 1.066 -4.097
60 1HB GLU 10 1HB GLU 10 -4.407 0.245 -5.672
61 2HB GLU 10 2HB GLU 10 -5.404 0.369 -4.235
62 1HG GLU 10 1HG GLU 10 -4.135 2.779 -4.088
63 2HG GLU 10 2HG GLU 10 -4.078 2.542 -5.823
64 HE2 GLU 10 HE2 GLU 10 -7.215 3.396 -3.703
65 H VAL 11 H VAL 11 -2.544 2.299 -2.233
66 HA VAL 11 HA VAL 11 -2.849 1.100 0.215
67 HB VAL 11 HB VAL 11 -3.084 3.982 -0.653
68 1HG1 VAL 11 1HG1 VAL 11 -2.745 2.913 2.170
69 2HG1 VAL 11 2HG1 VAL 11 -2.740 4.623 1.676
70 3HG1 VAL 11 3HG1 VAL 11 -4.225 3.655 1.514
71 1HG2 VAL 11 1HG2 VAL 11 -0.801 2.383 0.554
72 2HG2 VAL 11 2HG2 VAL 11 -0.919 2.967 -1.122
73 3HG2 VAL 11 3HG2 VAL 11 -0.770 4.130 0.218
74 H ILE 12 H ILE 12 -4.540 0.581 1.539
75 HA ILE 12 HA ILE 12 -7.189 1.423 0.589
76 HB ILE 12 HB ILE 12 -8.022 -0.621 1.683
77 1HG1 ILE 12 1HG1 ILE 12 -5.227 -1.689 1.867
78 2HG1 ILE 12 2HG1 ILE 12 -5.835 -0.692 3.174
79 1HG2 ILE 12 1HG2 ILE 12 -6.891 -0.334 -0.786
80 2HG2 ILE 12 2HG2 ILE 12 -6.010 -1.744 -0.150
81 3HG2 ILE 12 3HG2 ILE 12 -7.789 -1.766 -0.229
82 1HD1 ILE 12 1HD1 ILE 12 -7.074 -3.266 2.107
83 2HD1 ILE 12 2HD1 ILE 12 -6.351 -3.000 3.712
84 3HD1 ILE 12 3HD1 ILE 12 -7.882 -2.201 3.282
85 H GLU 13 H GLU 13 -4.894 1.226 3.291
86 HA GLU 13 HA GLU 13 -6.365 3.225 4.642
87 1HB GLU 13 1HB GLU 13 -7.694 1.315 5.399
88 2HB GLU 13 2HB GLU 13 -6.251 0.430 5.855
89 1HG GLU 13 1HG GLU 13 -5.709 2.273 7.514
90 2HG GLU 13 2HG GLU 13 -7.234 3.036 7.113
91 HE2 GLU 13 HE2 GLU 13 -5.825 0.691 9.013
92 H ILE 14 H ILE 14 -5.057 4.308 6.206
93 HA ILE 14 HA ILE 14 -2.256 3.585 6.012
94 HB ILE 14 HB ILE 14 -3.629 6.010 7.177
95 1HG1 ILE 14 1HG1 ILE 14 -2.151 5.750 4.544
96 2HG1 ILE 14 2HG1 ILE 14 -3.893 5.639 4.694
97 1HG2 ILE 14 1HG2 ILE 14 -0.917 5.058 7.405
98 2HG2 ILE 14 2HG2 ILE 14 -0.960 6.586 6.494
99 3HG2 ILE 14 3HG2 ILE 14 -1.680 6.499 8.119
100 1HD1 ILE 14 1HD1 ILE 14 -3.363 7.955 6.126
101 2HD1 ILE 14 2HD1 ILE 14 -2.140 8.020 4.834
102 3HD1 ILE 14 3HD1 ILE 14 -3.867 7.904 4.420
103 H ILE 15 H ILE 15 -1.073 2.664 7.627
104 HA ILE 15 HA ILE 15 -2.541 1.844 9.973
105 HB ILE 15 HB ILE 15 0.273 1.247 9.052
106 1HG1 ILE 15 1HG1 ILE 15 -2.157 -0.549 8.891
107 2HG1 ILE 15 2HG1 ILE 15 -1.655 0.485 7.569
108 1HG2 ILE 15 1HG2 ILE 15 -1.355 -0.175 11.170
109 2HG2 ILE 15 2HG2 ILE 15 0.337 -0.475 10.708
110 3HG2 ILE 15 3HG2 ILE 15 -0.108 1.047 11.517
111 1HD1 ILE 15 1HD1 ILE 15 0.731 -0.778 8.334
112 2HD1 ILE 15 2HD1 ILE 15 -0.498 -2.055 8.486
113 3HD1 ILE 15 3HD1 ILE 15 -0.281 -1.208 6.935
114 H GLY 16 H GLY 16 0.882 2.971 9.779
115 1HA GLY 16 1HA GLY 16 0.637 5.422 11.013
116 2HA GLY 16 2HA GLY 16 0.687 4.253 12.318
117 H ARG 17 H ARG 17 2.675 6.362 11.207
118 HA ARG 17 HA ARG 17 4.804 4.819 10.191
119 1HB ARG 17 1HB ARG 17 6.119 6.943 10.478
120 2HB ARG 17 2HB ARG 17 4.607 7.206 9.630
121 1HG ARG 17 1HG ARG 17 3.811 7.557 12.259
122 2HG ARG 17 2HG ARG 17 5.457 8.154 12.321
123 1HD ARG 17 1HD ARG 17 4.770 9.465 10.107
124 2HD ARG 17 2HD ARG 17 3.135 9.184 10.668
125 HE ARG 17 HE ARG 17 5.057 11.035 11.816
126 1HH1 ARG 17 1HH1 ARG 17 2.299 8.966 12.635
127 2HH1 ARG 17 2HH1 ARG 17 1.850 9.903 14.020
128 1HH2 ARG 17 1HH2 ARG 17 3.136 11.842 14.595
129 H THR 18 H THR 18 6.906 4.447 11.292
130 HA THR 18 HA THR 18 6.682 4.498 14.228
131 HB THR 18 HB THR 18 6.258 2.204 13.424
132 HG1 THR 18 HG1 THR 18 7.632 2.308 15.263
133 1HG2 THR 18 1HG2 THR 18 7.373 2.300 11.198
134 2HG2 THR 18 2HG2 THR 18 8.948 2.536 11.993
135 3HG2 THR 18 3HG2 THR 18 8.077 0.995 12.183
136 H GLY 19 H GLY 19 7.873 6.439 12.301
137 1HA GLY 19 1HA GLY 19 10.734 6.062 12.901
138 2HA GLY 19 2HA GLY 19 10.057 7.096 11.658
139 H THR 20 H THR 20 11.846 8.365 13.176
140 HA THR 20 HA THR 20 10.821 9.435 15.594
141 HB THR 20 HB THR 20 13.129 10.002 13.698
142 HG1 THR 20 HG1 THR 20 14.186 9.217 15.635
143 1HG2 THR 20 1HG2 THR 20 12.455 11.517 16.275
144 2HG2 THR 20 2HG2 THR 20 13.965 11.664 15.346
145 3HG2 THR 20 3HG2 THR 20 12.430 12.228 14.644
146 H THR 21 H THR 21 11.300 10.982 12.342
147 HA THR 21 HA THR 21 9.240 12.916 13.140
148 HB THR 21 HB THR 21 11.318 13.021 10.892
149 HG1 THR 21 HG1 THR 21 11.181 14.313 13.518
150 1HG2 THR 21 1HG2 THR 21 10.299 14.990 10.347
151 2HG2 THR 21 2HG2 THR 21 9.080 14.725 11.616
152 3HG2 THR 21 3HG2 THR 21 10.596 15.572 12.002
153 H GLY 22 H GLY 22 9.980 10.260 10.951
154 1HA GLY 22 1HA GLY 22 7.747 9.301 10.207
155 2HA GLY 22 2HA GLY 22 7.521 10.855 9.430
156 H ASP 23 H ASP 23 10.225 8.434 9.754
157 HA ASP 23 HA ASP 23 10.870 8.973 6.992
158 1HB ASP 23 1HB ASP 23 12.369 6.989 8.704
159 2HB ASP 23 2HB ASP 23 12.988 8.041 7.448
160 HD2 ASP 23 HD2 ASP 23 13.922 9.231 10.837
161 H VAL 24 H VAL 24 9.771 6.407 9.261
162 HA VAL 24 HA VAL 24 9.419 4.609 6.963
163 HB VAL 24 HB VAL 24 9.211 2.954 9.033
164 1HG1 VAL 24 1HG1 VAL 24 10.776 2.381 7.431
165 2HG1 VAL 24 2HG1 VAL 24 11.615 3.948 7.530
166 3HG1 VAL 24 3HG1 VAL 24 11.826 2.742 8.823
167 1HG2 VAL 24 1HG2 VAL 24 9.485 4.740 10.720
168 2HG2 VAL 24 2HG2 VAL 24 10.773 3.516 10.820
169 3HG2 VAL 24 3HG2 VAL 24 11.103 5.093 10.067
170 H THR 25 H THR 25 7.366 4.885 6.213
171 HA THR 25 HA THR 25 5.238 4.952 8.252
172 HB THR 25 HB THR 25 5.020 6.126 5.452
173 HG1 THR 25 HG1 THR 25 6.128 7.171 7.961
174 1HG2 THR 25 1HG2 THR 25 2.980 6.705 6.315
175 2HG2 THR 25 2HG2 THR 25 3.439 6.122 7.934
176 3HG2 THR 25 3HG2 THR 25 3.858 7.778 7.433
177 H GLN 26 H GLN 26 4.450 2.936 8.427
178 HA GLN 26 HA GLN 26 4.313 1.352 6.023
179 1HB GLN 26 1HB GLN 26 3.578 0.598 8.886
180 2HB GLN 26 2HB GLN 26 3.758 -0.510 7.539
181 1HG GLN 26 1HG GLN 26 6.119 -0.178 7.416
182 2HG GLN 26 2HG GLN 26 6.052 1.316 8.330
183 1HE2 GLN 26 1HE2 GLN 26 5.369 -2.159 8.556
184 2HE2 GLN 26 2HE2 GLN 26 5.801 -2.367 10.221
185 H VAL 27 H VAL 27 2.356 0.529 5.124
186 HA VAL 27 HA VAL 27 -0.132 1.337 6.367
187 HB VAL 27 HB VAL 27 -0.917 2.385 4.256
188 1HG1 VAL 27 1HG1 VAL 27 1.448 3.991 5.161
189 2HG1 VAL 27 2HG1 VAL 27 -0.238 4.493 4.889
190 3HG1 VAL 27 3HG1 VAL 27 0.191 3.566 6.347
191 1HG2 VAL 27 1HG2 VAL 27 1.889 2.893 3.382
192 2HG2 VAL 27 2HG2 VAL 27 1.202 1.289 3.031
193 3HG2 VAL 27 3HG2 VAL 27 0.393 2.755 2.426
194 H LYS 28 H LYS 28 -2.030 0.432 4.959
195 HA LYS 28 HA LYS 28 -1.170 -2.227 4.089
196 1HB LYS 28 1HB LYS 28 -3.602 -1.145 5.441
197 2HB LYS 28 2HB LYS 28 -3.821 -2.498 4.350
198 1HG LYS 28 1HG LYS 28 -1.927 -3.693 5.590
199 2HG LYS 28 2HG LYS 28 -1.942 -2.385 6.754
200 1HD LYS 28 1HD LYS 28 -4.632 -3.523 6.208
201 2HD LYS 28 2HD LYS 28 -3.510 -4.675 6.902
202 1HE LYS 28 1HE LYS 28 -3.605 -3.677 8.947
203 2HE LYS 28 2HE LYS 28 -3.301 -2.091 8.268
204 1HZ LYS 28 1HZ LYS 28 -5.833 -2.503 7.489
205 2HZ LYS 28 2HZ LYS 28 -5.847 -3.334 8.891
206 H VAL 29 H VAL 29 -1.503 -2.938 2.013
207 HA VAL 29 HA VAL 29 -3.017 -1.126 0.267
208 HB VAL 29 HB VAL 29 -1.336 -1.627 -1.492
209 1HG1 VAL 29 1HG1 VAL 29 -0.883 0.017 0.923
210 2HG1 VAL 29 2HG1 VAL 29 0.566 -0.290 -0.063
211 3HG1 VAL 29 3HG1 VAL 29 -0.866 0.470 -0.798
212 1HG2 VAL 29 1HG2 VAL 29 -0.485 -3.694 -0.119
213 2HG2 VAL 29 2HG2 VAL 29 0.655 -2.749 -1.108
214 3HG2 VAL 29 3HG2 VAL 29 0.584 -2.497 0.652
215 H ARG 30 H ARG 30 -4.237 -2.143 -1.381
216 HA ARG 30 HA ARG 30 -4.448 -5.013 -0.961
217 1HB ARG 30 1HB ARG 30 -6.520 -3.797 -0.416
218 2HB ARG 30 2HB ARG 30 -6.499 -2.977 -1.965
219 1HG ARG 30 1HG ARG 30 -6.799 -5.140 -3.146
220 2HG ARG 30 2HG ARG 30 -6.731 -6.006 -1.624
221 1HD ARG 30 1HD ARG 30 -9.020 -5.816 -1.696
222 2HD ARG 30 2HD ARG 30 -8.722 -4.219 -1.038
223 HE ARG 30 HE ARG 30 -8.493 -3.982 -3.851
224 1HH1 ARG 30 1HH1 ARG 30 -11.008 -4.790 -1.490
225 2HH1 ARG 30 2HH1 ARG 30 -12.302 -4.207 -2.483
226 1HH2 ARG 30 1HH2 ARG 30 -11.803 -3.285 -4.639
227 H ILE 31 H ILE 31 -4.724 -6.397 -2.873
228 HA ILE 31 HA ILE 31 -3.194 -5.482 -5.086
229 HB ILE 31 HB ILE 31 -4.729 -8.019 -4.530
230 1HG1 ILE 31 1HG1 ILE 31 -1.866 -7.153 -4.216
231 2HG1 ILE 31 2HG1 ILE 31 -2.915 -7.954 -3.064
232 1HG2 ILE 31 1HG2 ILE 31 -4.593 -7.534 -6.972
233 2HG2 ILE 31 2HG2 ILE 31 -2.820 -7.508 -6.825
234 3HG2 ILE 31 3HG2 ILE 31 -3.719 -9.002 -6.472
235 1HD1 ILE 31 1HD1 ILE 31 -1.474 -9.130 -5.450
236 2HD1 ILE 31 2HD1 ILE 31 -1.534 -9.718 -3.771
237 3HD1 ILE 31 3HD1 ILE 31 -2.948 -9.916 -4.835
238 H LEU 32 H LEU 32 -3.860 -4.442 -6.889
239 HA LEU 32 HA LEU 32 -6.651 -3.852 -7.147
240 1HB LEU 32 1HB LEU 32 -4.141 -3.046 -8.580
241 2HB LEU 32 2HB LEU 32 -5.712 -2.683 -9.266
242 HG LEU 32 HG LEU 32 -4.919 -1.842 -6.472
243 1HD1 LEU 32 1HD1 LEU 32 -4.875 0.440 -8.047
244 2HD1 LEU 32 2HD1 LEU 32 -3.466 -0.420 -7.379
245 3HD1 LEU 32 3HD1 LEU 32 -4.024 -0.776 -9.031
246 1HD2 LEU 32 1HD2 LEU 32 -6.758 -0.293 -6.634
247 2HD2 LEU 32 2HD2 LEU 32 -7.066 -0.770 -8.321
248 3HD2 LEU 32 3HD2 LEU 32 -7.341 -1.934 -7.003
249 H GLU 33 H GLU 33 -4.314 -6.144 -8.483
250 HA GLU 33 HA GLU 33 -6.391 -7.646 -9.601
251 1HB GLU 33 1HB GLU 33 -5.674 -5.606 -11.296
252 2HB GLU 33 2HB GLU 33 -4.568 -6.859 -11.825
253 1HG GLU 33 1HG GLU 33 -6.348 -8.369 -12.372
254 2HG GLU 33 2HG GLU 33 -7.521 -7.466 -11.435
255 HE2 GLU 33 HE2 GLU 33 -8.832 -7.022 -13.074
256 H GLY 34 H GLY 34 -5.387 -9.584 -10.928
257 1HA GLY 34 1HA GLY 34 -2.943 -10.433 -11.220
258 2HA GLY 34 2HA GLY 34 -2.975 -10.403 -9.468
259 H ARG 35 H ARG 35 -3.837 -12.135 -8.362
260 HA ARG 35 HA ARG 35 -5.349 -14.006 -10.004
261 1HB ARG 35 1HB ARG 35 -2.949 -14.385 -8.380
262 2HB ARG 35 2HB ARG 35 -4.239 -15.401 -7.767
263 1HG ARG 35 1HG ARG 35 -3.757 -16.862 -9.436
264 2HG ARG 35 2HG ARG 35 -4.449 -15.703 -10.552
265 1HD ARG 35 1HD ARG 35 -2.306 -14.736 -11.061
266 2HD ARG 35 2HD ARG 35 -1.547 -15.474 -9.664
267 HE ARG 35 HE ARG 35 -1.243 -17.435 -10.899
268 1HH1 ARG 35 1HH1 ARG 35 -3.720 -15.468 -12.496
269 2HH1 ARG 35 2HH1 ARG 35 -3.826 -16.504 -13.881
270 1HH2 ARG 35 1HH2 ARG 35 -2.441 -18.457 -13.995
271 H ASP 36 H ASP 36 -4.931 -12.316 -6.894
272 HA ASP 36 HA ASP 36 -7.383 -13.556 -5.946
273 1HB ASP 36 1HB ASP 36 -4.910 -12.613 -4.683
274 2HB ASP 36 2HB ASP 36 -6.305 -11.865 -3.934
275 HD2 ASP 36 HD2 ASP 36 -5.652 -15.783 -3.843
276 H LYS 37 H LYS 37 -5.735 -10.528 -6.872
277 HA LYS 37 HA LYS 37 -6.392 -8.370 -6.708
278 1HB LYS 37 1HB LYS 37 -7.958 -7.895 -8.409
279 2HB LYS 37 2HB LYS 37 -7.163 -9.380 -8.893
280 1HG LYS 37 1HG LYS 37 -9.186 -10.528 -7.570
281 2HG LYS 37 2HG LYS 37 -9.973 -8.987 -7.849
282 1HD LYS 37 1HD LYS 37 -8.597 -10.293 -10.192
283 2HD LYS 37 2HD LYS 37 -10.102 -11.000 -9.639
284 1HE LYS 37 1HE LYS 37 -10.458 -8.137 -9.722
285 2HE LYS 37 2HE LYS 37 -9.725 -8.626 -11.236
286 1HZ LYS 37 1HZ LYS 37 -11.936 -10.277 -10.277
287 2HZ LYS 37 2HZ LYS 37 -12.330 -8.795 -10.828
288 H GLY 38 H GLY 38 -6.674 -8.001 -4.464
289 1HA GLY 38 1HA GLY 38 -8.703 -6.783 -3.437
290 2HA GLY 38 2HA GLY 38 -9.399 -8.391 -3.426
291 H ARG 39 H ARG 39 -6.318 -9.277 -3.103
292 HA ARG 39 HA ARG 39 -6.540 -9.802 -0.407
293 1HB ARG 39 1HB ARG 39 -4.908 -10.654 -2.462
294 2HB ARG 39 2HB ARG 39 -3.775 -9.677 -1.549
295 1HG ARG 39 1HG ARG 39 -4.799 -11.004 0.539
296 2HG ARG 39 2HG ARG 39 -5.252 -12.170 -0.689
297 1HD ARG 39 1HD ARG 39 -2.710 -11.871 -1.473
298 2HD ARG 39 2HD ARG 39 -2.483 -11.300 0.168
299 HE ARG 39 HE ARG 39 -2.970 -13.470 0.998
300 1HH1 ARG 39 1HH1 ARG 39 -3.506 -13.325 -2.502
301 2HH1 ARG 39 2HH1 ARG 39 -3.616 -15.044 -2.681
302 1HH2 ARG 39 1HH2 ARG 39 -3.384 -16.444 -0.749
303 H VAL 40 H VAL 40 -5.968 -8.637 1.429
304 HA VAL 40 HA VAL 40 -4.721 -6.035 0.950
305 HB VAL 40 HB VAL 40 -5.764 -5.304 2.919
306 1HG1 VAL 40 1HG1 VAL 40 -7.712 -7.203 1.567
307 2HG1 VAL 40 2HG1 VAL 40 -8.139 -5.789 2.561
308 3HG1 VAL 40 3HG1 VAL 40 -7.296 -5.563 1.010
309 1HG2 VAL 40 1HG2 VAL 40 -5.297 -7.001 4.497
310 2HG2 VAL 40 2HG2 VAL 40 -7.072 -6.940 4.387
311 3HG2 VAL 40 3HG2 VAL 40 -6.173 -8.233 3.558
312 H ILE 41 H ILE 41 -2.746 -5.495 1.830
313 HA ILE 41 HA ILE 41 -1.590 -7.375 3.740
314 HB ILE 41 HB ILE 41 0.513 -7.421 2.497
315 1HG1 ILE 41 1HG1 ILE 41 -0.933 -6.222 0.132
316 2HG1 ILE 41 2HG1 ILE 41 -0.019 -5.233 1.254
317 1HG2 ILE 41 1HG2 ILE 41 -0.192 -8.979 0.740
318 2HG2 ILE 41 2HG2 ILE 41 -1.068 -9.260 2.263
319 3HG2 ILE 41 3HG2 ILE 41 -1.872 -8.420 0.917
320 1HD1 ILE 41 1HD1 ILE 41 1.470 -5.822 -0.562
321 2HD1 ILE 41 2HD1 ILE 41 1.979 -6.769 0.857
322 3HD1 ILE 41 3HD1 ILE 41 1.031 -7.543 -0.436
323 H ARG 42 H ARG 42 0.711 -6.331 4.418
324 HA ARG 42 HA ARG 42 0.277 -3.466 4.612
325 1HB ARG 42 1HB ARG 42 1.391 -3.935 7.048
326 2HB ARG 42 2HB ARG 42 -0.343 -3.915 6.797
327 1HG ARG 42 1HG ARG 42 1.201 -6.495 6.401
328 2HG ARG 42 2HG ARG 42 0.785 -5.974 8.022
329 1HD ARG 42 1HD ARG 42 -1.582 -5.661 6.424
330 2HD ARG 42 2HD ARG 42 -0.917 -7.236 6.038
331 HE ARG 42 HE ARG 42 -0.864 -6.851 8.890
332 1HH1 ARG 42 1HH1 ARG 42 -3.138 -7.482 6.247
333 2HH1 ARG 42 2HH1 ARG 42 -4.286 -8.288 7.263
334 1HH2 ARG 42 1HH2 ARG 42 -3.820 -8.529 9.601
335 H ARG 43 H ARG 43 2.065 -2.476 3.734
336 HA ARG 43 HA ARG 43 4.611 -3.806 4.201
337 1HB ARG 43 1HB ARG 43 5.360 -3.035 1.968
338 2HB ARG 43 2HB ARG 43 3.920 -4.021 1.815
339 1HG ARG 43 1HG ARG 43 2.612 -2.256 1.112
340 2HG ARG 43 2HG ARG 43 3.390 -1.111 2.187
341 1HD ARG 43 1HD ARG 43 4.199 -0.338 0.141
342 2HD ARG 43 2HD ARG 43 5.480 -1.459 0.555
343 HE ARG 43 HE ARG 43 4.730 -2.945 -1.126
344 1HH1 ARG 43 1HH1 ARG 43 2.404 -0.304 -0.707
345 2HH1 ARG 43 2HH1 ARG 43 1.519 -0.690 -2.145
346 1HH2 ARG 43 1HH2 ARG 43 2.218 -2.545 -3.492
347 H ASN 44 H ASN 44 6.511 -2.087 3.725
348 HA ASN 44 HA ASN 44 5.749 0.251 5.252
349 1HB ASN 44 1HB ASN 44 8.580 -0.581 4.469
350 2HB ASN 44 2HB ASN 44 8.106 0.467 5.791
351 1HD2 ASN 44 1HD2 ASN 44 9.678 -1.290 6.659
352 2HD2 ASN 44 2HD2 ASN 44 8.936 -2.645 7.443
353 H VAL 45 H VAL 45 6.170 2.398 4.421
354 HA VAL 45 HA VAL 45 7.361 2.570 1.767
355 HB VAL 45 HB VAL 45 4.667 3.760 2.449
356 1HG1 VAL 45 1HG1 VAL 45 6.349 3.733 -0.071
357 2HG1 VAL 45 2HG1 VAL 45 4.616 4.141 -0.059
358 3HG1 VAL 45 3HG1 VAL 45 5.773 5.140 0.853
359 1HG2 VAL 45 1HG2 VAL 45 4.018 2.070 0.515
360 2HG2 VAL 45 2HG2 VAL 45 5.432 1.181 1.129
361 3HG2 VAL 45 3HG2 VAL 45 4.072 1.550 2.216
362 H ARG 46 H ARG 46 7.902 4.876 1.210
363 HA ARG 46 HA ARG 46 8.738 6.161 3.648
364 1HB ARG 46 1HB ARG 46 9.423 6.776 0.728
365 2HB ARG 46 2HB ARG 46 10.165 7.550 2.114
366 1HG ARG 46 1HG ARG 46 11.604 5.817 2.410
367 2HG ARG 46 2HG ARG 46 10.294 4.653 2.426
368 1HD ARG 46 1HD ARG 46 10.943 5.779 -0.266
369 2HD ARG 46 2HD ARG 46 12.206 4.797 0.449
370 HE ARG 46 HE ARG 46 9.724 3.420 0.779
371 1HH1 ARG 46 1HH1 ARG 46 11.954 4.357 -1.810
372 2HH1 ARG 46 2HH1 ARG 46 11.514 3.033 -2.838
373 1HH2 ARG 46 1HH2 ARG 46 9.859 1.468 -2.091
374 H GLY 47 H GLY 47 8.174 8.347 4.191
375 1HA GLY 47 1HA GLY 47 7.192 10.419 3.764
376 2HA GLY 47 2HA GLY 47 6.320 9.746 2.402
377 HA PRO 48 HA PRO 48 3.557 9.821 6.070
378 1HB PRO 48 1HB PRO 48 1.796 11.750 5.268
379 2HB PRO 48 2HB PRO 48 3.148 12.071 6.335
380 1HG PRO 48 1HG PRO 48 2.847 12.738 3.470
381 2HG PRO 48 2HG PRO 48 3.968 13.405 4.640
382 1HD PRO 48 1HD PRO 48 4.560 11.480 2.599
383 2HD PRO 48 2HD PRO 48 5.652 12.058 3.841
384 H VAL 49 H VAL 49 3.586 8.924 2.973
385 HA VAL 49 HA VAL 49 2.315 7.601 1.741
386 HB VAL 49 HB VAL 49 1.220 6.969 4.478
387 1HG1 VAL 49 1HG1 VAL 49 0.258 6.071 1.810
388 2HG1 VAL 49 2HG1 VAL 49 0.467 4.809 3.048
389 3HG1 VAL 49 3HG1 VAL 49 -0.604 6.196 3.363
390 1HG2 VAL 49 1HG2 VAL 49 2.534 4.794 3.132
391 2HG2 VAL 49 2HG2 VAL 49 3.573 6.238 3.068
392 3HG2 VAL 49 3HG2 VAL 49 2.994 5.627 4.636
393 H ARG 50 H ARG 50 0.310 7.539 0.559
394 HA ARG 50 HA ARG 50 -1.709 9.361 1.520
395 1HB ARG 50 1HB ARG 50 -0.648 9.567 -1.336
396 2HB ARG 50 2HB ARG 50 -1.784 10.646 -0.548
397 1HG ARG 50 1HG ARG 50 -0.090 11.555 0.900
398 2HG ARG 50 2HG ARG 50 1.027 10.251 0.548
399 1HD ARG 50 1HD ARG 50 0.849 11.117 -1.953
400 2HD ARG 50 2HD ARG 50 0.239 12.587 -1.219
401 HE ARG 50 HE ARG 50 2.394 13.065 -0.438
402 1HH1 ARG 50 1HH1 ARG 50 2.237 9.634 -1.312
403 2HH1 ARG 50 2HH1 ARG 50 3.934 9.373 -1.089
404 1HH2 ARG 50 1HH2 ARG 50 5.324 11.201 -0.404
405 H VAL 51 H VAL 51 -3.759 8.531 1.114
406 HA VAL 51 HA VAL 51 -4.123 5.981 0.204
407 HB VAL 51 HB VAL 51 -5.728 7.209 1.532
408 1HG1 VAL 51 1HG1 VAL 51 -5.330 9.284 -0.271
409 2HG1 VAL 51 2HG1 VAL 51 -6.986 8.734 -0.624
410 3HG1 VAL 51 3HG1 VAL 51 -6.547 9.232 1.027
411 1HG2 VAL 51 1HG2 VAL 51 -7.816 6.609 0.292
412 2HG2 VAL 51 2HG2 VAL 51 -6.819 6.294 -1.149
413 3HG2 VAL 51 3HG2 VAL 51 -6.597 5.313 0.319
414 H GLY 52 H GLY 52 -4.827 5.029 -1.772
415 1HA GLY 52 1HA GLY 52 -5.339 5.026 -4.021
416 2HA GLY 52 2HA GLY 52 -4.923 6.725 -4.141
417 H ASP 53 H ASP 53 -2.349 6.024 -2.468
418 HA ASP 53 HA ASP 53 -0.580 6.067 -4.486
419 1HB ASP 53 1HB ASP 53 0.061 6.437 -2.154
420 2HB ASP 53 2HB ASP 53 -0.347 4.787 -1.726
421 HD2 ASP 53 HD2 ASP 53 1.762 6.465 -3.912
422 H ILE 54 H ILE 54 0.382 4.506 -5.864
423 HA ILE 54 HA ILE 54 -0.557 1.749 -5.481
424 HB ILE 54 HB ILE 54 -0.038 3.390 -7.943
425 1HG1 ILE 54 1HG1 ILE 54 -2.393 1.596 -7.410
426 2HG1 ILE 54 2HG1 ILE 54 -2.312 3.180 -6.665
427 1HG2 ILE 54 1HG2 ILE 54 1.036 1.554 -8.734
428 2HG2 ILE 54 2HG2 ILE 54 0.234 0.448 -7.594
429 3HG2 ILE 54 3HG2 ILE 54 -0.637 1.027 -9.034
430 1HD1 ILE 54 1HD1 ILE 54 -1.614 3.806 -9.256
431 2HD1 ILE 54 2HD1 ILE 54 -2.737 2.449 -9.514
432 3HD1 ILE 54 3HD1 ILE 54 -3.274 3.890 -8.617
433 H LEU 55 H LEU 55 0.939 0.050 -5.575
434 HA LEU 55 HA LEU 55 3.670 0.624 -6.240
435 1HB LEU 55 1HB LEU 55 2.785 0.850 -3.518
436 2HB LEU 55 2HB LEU 55 3.864 -0.523 -3.664
437 HG LEU 55 HG LEU 55 5.032 1.660 -5.094
438 1HD1 LEU 55 1HD1 LEU 55 5.329 2.978 -2.753
439 2HD1 LEU 55 2HD1 LEU 55 4.140 3.419 -4.002
440 3HD1 LEU 55 3HD1 LEU 55 3.638 2.442 -2.602
441 1HD2 LEU 55 1HD2 LEU 55 5.734 0.129 -2.586
442 2HD2 LEU 55 2HD2 LEU 55 6.394 -0.061 -4.228
443 3HD2 LEU 55 3HD2 LEU 55 6.785 1.389 -3.272
444 H ILE 56 H ILE 56 4.379 -1.122 -7.337
445 HA ILE 56 HA ILE 56 2.859 -3.579 -7.042
446 HB ILE 56 HB ILE 56 5.077 -3.057 -9.002
447 1HG1 ILE 56 1HG1 ILE 56 2.218 -2.082 -9.129
448 2HG1 ILE 56 2HG1 ILE 56 3.688 -1.139 -9.273
449 1HG2 ILE 56 1HG2 ILE 56 2.704 -4.553 -9.839
450 2HG2 ILE 56 2HG2 ILE 56 4.432 -4.955 -9.985
451 3HG2 ILE 56 3HG2 ILE 56 3.563 -5.295 -8.469
452 1HD1 ILE 56 1HD1 ILE 56 2.216 -2.495 -11.353
453 2HD1 ILE 56 2HD1 ILE 56 3.652 -1.455 -11.512
454 3HD1 ILE 56 3HD1 ILE 56 3.844 -3.206 -11.253
455 H LEU 57 H LEU 57 3.775 -5.586 -6.446
456 HA LEU 57 HA LEU 57 6.464 -5.365 -5.288
457 1HB LEU 57 1HB LEU 57 4.388 -5.392 -3.712
458 2HB LEU 57 2HB LEU 57 4.331 -7.101 -4.096
459 HG LEU 57 HG LEU 57 5.509 -6.625 -1.985
460 1HD1 LEU 57 1HD1 LEU 57 6.787 -8.428 -2.283
461 2HD1 LEU 57 2HD1 LEU 57 6.241 -8.393 -3.977
462 3HD1 LEU 57 3HD1 LEU 57 7.783 -7.629 -3.523
463 1HD2 LEU 57 1HD2 LEU 57 6.600 -4.474 -3.304
464 2HD2 LEU 57 2HD2 LEU 57 7.137 -5.114 -1.732
465 3HD2 LEU 57 3HD2 LEU 57 7.965 -5.613 -3.226
466 H ARG 58 H ARG 58 7.903 -6.912 -5.921
467 HA ARG 58 HA ARG 58 7.329 -8.458 -8.094
468 1HB ARG 58 1HB ARG 58 9.521 -8.436 -6.015
469 2HB ARG 58 2HB ARG 58 9.462 -9.798 -7.117
470 1HG ARG 58 1HG ARG 58 10.093 -8.534 -8.935
471 2HG ARG 58 2HG ARG 58 9.138 -7.150 -8.438
472 1HD ARG 58 1HD ARG 58 10.876 -6.700 -6.619
473 2HD ARG 58 2HD ARG 58 11.856 -7.978 -7.312
474 HE ARG 58 HE ARG 58 10.987 -5.888 -9.211
475 1HH1 ARG 58 1HH1 ARG 58 13.552 -7.041 -7.057
476 2HH1 ARG 58 2HH1 ARG 58 14.791 -6.109 -7.830
477 1HH2 ARG 58 1HH2 ARG 58 14.220 -4.716 -9.695
478 H GLU 59 H GLU 59 7.726 -9.480 -4.618
479 HA GLU 59 HA GLU 59 5.726 -11.486 -5.045
480 1HB GLU 59 1HB GLU 59 8.227 -12.345 -5.567
481 2HB GLU 59 2HB GLU 59 8.271 -12.525 -3.825
482 1HG GLU 59 1HG GLU 59 6.202 -13.916 -3.904
483 2HG GLU 59 2HG GLU 59 6.122 -13.714 -5.643
484 HE2 GLU 59 HE2 GLU 59 8.283 -16.587 -4.177
485 H THR 60 H THR 60 8.417 -10.934 -2.656
486 HA THR 60 HA THR 60 6.532 -9.879 -0.739
487 HB THR 60 HB THR 60 6.188 -12.305 -0.449
488 HG1 THR 60 HG1 THR 60 7.134 -12.324 1.795
489 1HG2 THR 60 1HG2 THR 60 9.208 -12.423 0.054
490 2HG2 THR 60 2HG2 THR 60 8.061 -13.776 0.205
491 3HG2 THR 60 3HG2 THR 60 8.409 -13.078 -1.396
492 H GLU 61 H GLU 61 9.858 -11.145 -1.364
493 HA GLU 61 HA GLU 61 11.800 -10.226 -1.016
494 1HB GLU 61 1HB GLU 61 10.057 -7.898 -1.014
495 2HB GLU 61 2HB GLU 61 11.353 -7.660 0.142
496 1HG GLU 61 1HG GLU 61 13.037 -7.804 -1.496
497 2HG GLU 61 2HG GLU 61 12.056 -8.772 -2.577
498 HE2 GLU 61 HE2 GLU 61 12.240 -5.182 -3.624
499 H ARG 62 H ARG 62 9.647 -8.878 1.598
500 HA ARG 62 HA ARG 62 11.363 -8.860 3.615
501 1HB ARG 62 1HB ARG 62 8.499 -8.962 3.314
502 2HB ARG 62 2HB ARG 62 8.914 -10.047 4.626
503 1HG ARG 62 1HG ARG 62 10.446 -8.059 5.459
504 2HG ARG 62 2HG ARG 62 9.464 -7.071 4.395
505 1HD ARG 62 1HD ARG 62 7.660 -8.743 5.889
506 2HD ARG 62 2HD ARG 62 8.808 -8.077 7.033
507 HE ARG 62 HE ARG 62 8.032 -5.937 5.355
508 1HH1 ARG 62 1HH1 ARG 62 6.486 -8.114 7.684
509 2HH1 ARG 62 2HH1 ARG 62 5.266 -6.970 8.132
510 1HH2 ARG 62 1HH2 ARG 62 5.247 -4.808 7.097
511 H GLU 63 H GLU 63 12.880 -10.419 4.142
512 HA GLU 63 HA GLU 63 11.831 -13.103 4.551
513 1HB GLU 63 1HB GLU 63 13.576 -12.397 2.471
514 2HB GLU 63 2HB GLU 63 14.645 -13.065 3.688
515 1HG GLU 63 1HG GLU 63 14.044 -15.069 2.740
516 2HG GLU 63 2HG GLU 63 12.656 -14.926 3.799
517 HE2 GLU 63 HE2 GLU 63 10.743 -15.225 0.927
518 H ALA 64 H ALA 64 13.707 -14.444 5.805
519 HA ALA 64 HA ALA 64 14.865 -12.637 7.808
520 1HB ALA 64 1HB ALA 64 12.640 -13.965 8.382
521 2HB ALA 64 2HB ALA 64 13.768 -15.325 8.596
522 3HB ALA 64 3HB ALA 64 13.962 -13.847 9.569
523 H ARG 65 H ARG 65 16.521 -13.998 9.206
524 HA ARG 65 HA ARG 65 18.189 -15.280 7.241
525 1HB ARG 65 1HB ARG 65 18.624 -13.633 9.580
526 2HB ARG 65 2HB ARG 65 19.443 -15.161 9.844
527 1HG ARG 65 1HG ARG 65 21.132 -14.269 8.596
528 2HG ARG 65 2HG ARG 65 20.124 -14.640 7.211
529 1HD ARG 65 1HD ARG 65 20.460 -12.373 6.819
530 2HD ARG 65 2HD ARG 65 19.012 -12.267 7.800
531 HE ARG 65 HE ARG 65 21.181 -12.264 9.609
532 1HH1 ARG 65 1HH1 ARG 65 19.988 -10.206 6.983
533 2HH1 ARG 65 2HH1 ARG 65 20.647 -8.752 7.656
534 1HH2 ARG 65 1HH2 ARG 65 21.856 -8.859 9.723
535 H GLU 66 H GLU 66 15.779 -16.218 9.338
536 HA GLU 66 HA GLU 66 15.120 -18.174 10.039
537 1HB GLU 66 1HB GLU 66 16.366 -19.085 8.003
538 2HB GLU 66 2HB GLU 66 17.728 -19.408 9.059
539 1HG GLU 66 1HG GLU 66 16.324 -20.889 10.468
540 2HG GLU 66 2HG GLU 66 14.913 -20.514 9.500
541 HE2 GLU 66 HE2 GLU 66 15.739 -23.438 7.912
542 H ILE 67 H ILE 67 15.762 -16.687 12.029
543 HA ILE 67 HA ILE 67 17.967 -17.813 13.537
544 HB ILE 67 HB ILE 67 17.358 -15.322 13.280
545 1HG1 ILE 67 1HG1 ILE 67 17.742 -15.599 16.125
546 2HG1 ILE 67 2HG1 ILE 67 18.659 -16.836 15.289
547 1HG2 ILE 67 1HG2 ILE 67 15.481 -14.523 14.157
548 2HG2 ILE 67 2HG2 ILE 67 14.955 -16.205 14.408
549 3HG2 ILE 67 3HG2 ILE 67 15.791 -15.330 15.714
550 1HD1 ILE 67 1HD1 ILE 67 19.567 -15.023 13.748
551 2HD1 ILE 67 2HD1 ILE 67 18.775 -13.827 14.803
552 3HD1 ILE 67 3HD1 ILE 67 20.066 -14.868 15.450
553 H LYS 68 H LYS 68 16.457 -17.145 16.106
554 HA LYS 68 HA LYS 68 14.182 -18.693 16.332
555 1HB LYS 68 1HB LYS 68 15.123 -20.740 17.429
556 2HB LYS 68 2HB LYS 68 15.383 -20.645 15.699
557 1HG LYS 68 1HG LYS 68 17.606 -20.892 16.061
558 2HG LYS 68 2HG LYS 68 17.621 -19.328 16.849
559 1HD LYS 68 1HD LYS 68 18.401 -20.603 18.616
560 2HD LYS 68 2HD LYS 68 16.683 -20.756 18.929
561 1HE LYS 68 1HE LYS 68 16.864 -22.851 17.289
562 2HE LYS 68 2HE LYS 68 18.569 -22.776 17.690
563 1HZ LYS 68 1HZ LYS 68 18.000 -22.976 20.031
564 2HZ LYS 68 2HZ LYS 68 16.402 -22.926 19.719
565 H SER 69 H SER 69 17.281 -17.587 17.749
566 HA SER 69 HA SER 69 17.725 -16.514 19.582
567 1HB SER 69 1HB SER 69 14.823 -15.941 19.264
568 2HB SER 69 2HB SER 69 15.426 -15.728 20.895
569 HG SER 69 HG SER 69 17.281 -14.571 19.429
570 H ARG 70 H ARG 70 17.542 -16.656 22.075
571 HA ARG 70 HA ARG 70 17.443 -17.797 23.910
572 1HB ARG 70 1HB ARG 70 14.945 -18.415 22.666
573 2HB ARG 70 2HB ARG 70 15.551 -19.938 23.285
574 1HG ARG 70 1HG ARG 70 16.089 -18.151 25.378
575 2HG ARG 70 2HG ARG 70 14.553 -17.579 24.759
576 1HD ARG 70 1HD ARG 70 14.878 -20.552 25.164
577 2HD ARG 70 2HD ARG 70 14.695 -19.551 26.591
578 HE ARG 70 HE ARG 70 12.707 -18.819 24.638
579 1HH1 ARG 70 1HH1 ARG 70 13.484 -21.395 26.943
580 2HH1 ARG 70 2HH1 ARG 70 11.833 -21.873 27.154
581 1HH2 ARG 70 1HH2 ARG 70 10.112 -20.715 25.953
582 H ARG 71 H ARG 71 17.813 -20.146 24.862
583 HA ARG 71 HA ARG 71 19.034 -21.816 22.831
584 1HB ARG 71 1HB ARG 71 21.006 -22.198 24.316
585 2HB ARG 71 2HB ARG 71 20.868 -20.510 23.865
586 1HG ARG 71 1HG ARG 71 19.805 -19.973 26.030
587 2HG ARG 71 2HG ARG 71 19.784 -21.668 26.476
588 1HD ARG 71 1HD ARG 71 21.980 -21.644 27.121
589 2HD ARG 71 2HD ARG 71 22.484 -20.763 25.692
590 HE ARG 71 HE ARG 71 21.205 -18.799 27.100
591 1HH1 ARG 71 1HH1 ARG 71 23.647 -21.170 28.088
592 2HH1 ARG 71 2HH1 ARG 71 24.323 -20.148 29.313
593 1HH2 ARG 71 1HH2 ARG 71 23.395 -17.966 29.664
Start of MODEL 7
1 1H MET 1 1H MET 1 2.761 3.415 -12.666
2 HA MET 1 HA MET 1 0.631 5.323 -13.002
3 1HB MET 1 1HB MET 1 3.581 5.912 -13.224
4 2HB MET 1 2HB MET 1 2.569 6.585 -14.487
5 1HG MET 1 1HG MET 1 2.340 8.314 -12.974
6 2HG MET 1 2HG MET 1 1.058 7.299 -12.345
7 1HE MET 1 1HE MET 1 2.009 7.731 -8.865
8 2HE MET 1 2HE MET 1 2.044 9.139 -9.953
9 3HE MET 1 3HE MET 1 0.842 7.850 -10.202
10 H ALA 2 H ALA 2 1.283 2.491 -13.797
11 HA ALA 2 HA ALA 2 0.463 2.694 -16.491
12 1HB ALA 2 1HB ALA 2 2.424 1.763 -17.586
13 2HB ALA 2 2HB ALA 2 2.898 3.250 -16.732
14 3HB ALA 2 3HB ALA 2 3.289 1.660 -16.035
15 H GLU 3 H GLU 3 1.489 0.067 -17.274
16 HA GLU 3 HA GLU 3 0.805 -1.693 -15.140
17 1HB GLU 3 1HB GLU 3 -1.453 -1.071 -15.885
18 2HB GLU 3 2HB GLU 3 -1.043 -1.427 -17.551
19 1HG GLU 3 1HG GLU 3 -0.628 -3.822 -16.929
20 2HG GLU 3 2HG GLU 3 -1.061 -3.461 -15.270
21 HE2 GLU 3 HE2 GLU 3 -3.196 -3.024 -14.859
22 H ASP 4 H ASP 4 1.713 -3.743 -15.467
23 HA ASP 4 HA ASP 4 2.643 -4.300 -18.156
24 1HB ASP 4 1HB ASP 4 4.309 -3.588 -15.885
25 2HB ASP 4 2HB ASP 4 4.627 -5.257 -16.312
26 HD2 ASP 4 HD2 ASP 4 6.518 -2.623 -18.319
27 H GLU 5 H GLU 5 0.574 -5.194 -15.936
28 HA GLU 5 HA GLU 5 -0.412 -7.066 -15.421
29 1HB GLU 5 1HB GLU 5 1.247 -7.883 -17.641
30 2HB GLU 5 2HB GLU 5 1.240 -9.174 -16.456
31 1HG GLU 5 1HG GLU 5 -1.434 -7.962 -16.902
32 2HG GLU 5 2HG GLU 5 -0.758 -8.709 -18.336
33 HE2 GLU 5 HE2 GLU 5 0.290 -10.832 -17.751
34 H GLY 6 H GLY 6 2.318 -5.932 -14.218
35 1HA GLY 6 1HA GLY 6 3.548 -8.093 -12.873
36 2HA GLY 6 2HA GLY 6 3.669 -6.390 -12.477
37 H TYR 7 H TYR 7 3.275 -6.256 -10.293
38 HA TYR 7 HA TYR 7 0.694 -7.327 -9.395
39 1HB TYR 7 1HB TYR 7 2.326 -8.880 -8.515
40 2HB TYR 7 2HB TYR 7 3.549 -7.634 -8.360
41 HD1 TYR 7 HD1 TYR 7 4.140 -7.119 -6.185
42 HD2 TYR 7 HD2 TYR 7 0.092 -8.240 -7.003
43 HE1 TYR 7 HE1 TYR 7 3.566 -6.870 -3.721
44 HE2 TYR 7 HE2 TYR 7 -0.468 -7.989 -4.535
45 HH TYR 7 HH TYR 7 2.052 -7.391 -2.168
46 HA PRO 8 HA PRO 8 1.092 -2.989 -8.250
47 1HB PRO 8 1HB PRO 8 -1.392 -2.193 -9.064
48 2HB PRO 8 2HB PRO 8 0.032 -2.076 -10.078
49 1HG PRO 8 1HG PRO 8 -2.196 -4.012 -10.229
50 2HG PRO 8 2HG PRO 8 -1.010 -3.607 -11.453
51 1HD PRO 8 1HD PRO 8 -1.045 -5.958 -9.810
52 2HD PRO 8 2HD PRO 8 0.202 -5.495 -10.951
53 H ALA 9 H ALA 9 0.082 -1.660 -6.593
54 HA ALA 9 HA ALA 9 -1.930 -3.091 -5.072
55 1HB ALA 9 1HB ALA 9 -0.530 -3.863 -3.497
56 2HB ALA 9 2HB ALA 9 0.853 -3.252 -4.436
57 3HB ALA 9 3HB ALA 9 0.079 -2.215 -3.215
58 H GLU 10 H GLU 10 -3.378 -1.661 -4.198
59 HA GLU 10 HA GLU 10 -2.569 1.136 -4.338
60 1HB GLU 10 1HB GLU 10 -4.438 0.531 -5.847
61 2HB GLU 10 2HB GLU 10 -5.352 -0.104 -4.494
62 1HG GLU 10 1HG GLU 10 -5.090 2.268 -3.433
63 2HG GLU 10 2HG GLU 10 -4.580 2.790 -5.027
64 HE2 GLU 10 HE2 GLU 10 -7.012 2.316 -6.770
65 H VAL 11 H VAL 11 -2.837 2.481 -2.523
66 HA VAL 11 HA VAL 11 -2.892 1.171 -0.025
67 HB VAL 11 HB VAL 11 -2.973 4.064 -0.883
68 1HG1 VAL 11 1HG1 VAL 11 -3.901 4.336 1.197
69 2HG1 VAL 11 2HG1 VAL 11 -3.173 2.846 1.844
70 3HG1 VAL 11 3HG1 VAL 11 -2.177 4.308 1.642
71 1HG2 VAL 11 1HG2 VAL 11 -0.635 4.060 -0.067
72 2HG2 VAL 11 2HG2 VAL 11 -0.774 2.319 0.277
73 3HG2 VAL 11 3HG2 VAL 11 -0.892 2.908 -1.398
74 H ILE 12 H ILE 12 -4.575 0.642 1.285
75 HA ILE 12 HA ILE 12 -7.216 1.519 0.402
76 HB ILE 12 HB ILE 12 -8.014 -0.316 1.861
77 1HG1 ILE 12 1HG1 ILE 12 -5.093 -1.077 2.123
78 2HG1 ILE 12 2HG1 ILE 12 -6.015 -0.291 3.388
79 1HG2 ILE 12 1HG2 ILE 12 -7.538 -2.047 0.318
80 2HG2 ILE 12 2HG2 ILE 12 -7.519 -0.529 -0.611
81 3HG2 ILE 12 3HG2 ILE 12 -5.987 -1.308 -0.150
82 1HD1 ILE 12 1HD1 ILE 12 -6.124 -2.645 3.855
83 2HD1 ILE 12 2HD1 ILE 12 -7.716 -2.212 3.184
84 3HD1 ILE 12 3HD1 ILE 12 -6.512 -3.034 2.161
85 H GLU 13 H GLU 13 -4.958 1.514 3.194
86 HA GLU 13 HA GLU 13 -6.215 3.846 4.172
87 1HB GLU 13 1HB GLU 13 -7.818 2.269 5.112
88 2HB GLU 13 2HB GLU 13 -6.535 1.252 5.736
89 1HG GLU 13 1HG GLU 13 -5.893 2.872 7.388
90 2HG GLU 13 2HG GLU 13 -6.768 4.162 6.589
91 HE2 GLU 13 HE2 GLU 13 -7.011 2.688 9.255
92 H ILE 14 H ILE 14 -4.842 4.975 5.646
93 HA ILE 14 HA ILE 14 -2.133 4.034 5.609
94 HB ILE 14 HB ILE 14 -3.222 6.487 6.977
95 1HG1 ILE 14 1HG1 ILE 14 -4.127 6.550 4.751
96 2HG1 ILE 14 2HG1 ILE 14 -2.801 7.692 4.855
97 1HG2 ILE 14 1HG2 ILE 14 -1.093 7.186 7.171
98 2HG2 ILE 14 2HG2 ILE 14 -0.715 5.453 7.034
99 3HG2 ILE 14 3HG2 ILE 14 -0.608 6.503 5.601
100 1HD1 ILE 14 1HD1 ILE 14 -3.093 5.404 3.094
101 2HD1 ILE 14 2HD1 ILE 14 -1.845 6.673 3.076
102 3HD1 ILE 14 3HD1 ILE 14 -1.620 5.219 4.077
103 H ILE 15 H ILE 15 -0.845 3.443 7.397
104 HA ILE 15 HA ILE 15 -2.440 2.532 9.669
105 HB ILE 15 HB ILE 15 0.236 1.733 8.547
106 1HG1 ILE 15 1HG1 ILE 15 -2.360 0.223 8.975
107 2HG1 ILE 15 2HG1 ILE 15 -1.743 0.801 7.440
108 1HG2 ILE 15 1HG2 ILE 15 -0.821 1.405 11.297
109 2HG2 ILE 15 2HG2 ILE 15 -0.125 -0.047 10.538
110 3HG2 ILE 15 3HG2 ILE 15 0.854 1.431 10.697
111 1HD1 ILE 15 1HD1 ILE 15 -0.982 -1.592 8.978
112 2HD1 ILE 15 2HD1 ILE 15 -0.724 -1.223 7.256
113 3HD1 ILE 15 3HD1 ILE 15 0.427 -0.628 8.475
114 H GLY 16 H GLY 16 0.989 3.658 9.302
115 1HA GLY 16 1HA GLY 16 0.811 6.052 10.639
116 2HA GLY 16 2HA GLY 16 0.963 4.844 11.900
117 H ARG 17 H ARG 17 2.976 6.761 11.545
118 HA ARG 17 HA ARG 17 4.980 5.823 9.831
119 1HB ARG 17 1HB ARG 17 6.445 7.401 11.282
120 2HB ARG 17 2HB ARG 17 5.098 8.133 10.434
121 1HG ARG 17 1HG ARG 17 4.462 7.080 13.158
122 2HG ARG 17 2HG ARG 17 5.569 8.439 13.124
123 1HD ARG 17 1HD ARG 17 3.522 9.114 11.270
124 2HD ARG 17 2HD ARG 17 2.682 8.402 12.633
125 HE ARG 17 HE ARG 17 3.884 10.987 12.599
126 1HH1 ARG 17 1HH1 ARG 17 3.681 8.165 14.731
127 2HH1 ARG 17 2HH1 ARG 17 3.887 9.090 16.181
128 1HH2 ARG 17 1HH2 ARG 17 4.164 11.466 16.029
129 H THR 18 H THR 18 7.146 4.962 10.544
130 HA THR 18 HA THR 18 7.305 3.814 13.182
131 HB THR 18 HB THR 18 6.719 2.183 10.684
132 HG1 THR 18 HG1 THR 18 6.089 1.993 13.543
133 1HG2 THR 18 1HG2 THR 18 8.388 0.716 11.298
134 2HG2 THR 18 2HG2 THR 18 8.642 1.530 12.860
135 3HG2 THR 18 3HG2 THR 18 7.329 0.341 12.679
136 H GLY 19 H GLY 19 8.895 5.761 12.506
137 1HA GLY 19 1HA GLY 19 11.455 4.441 12.170
138 2HA GLY 19 2HA GLY 19 11.025 5.561 10.892
139 H THR 20 H THR 20 9.989 5.910 14.311
140 HA THR 20 HA THR 20 10.407 7.468 15.842
141 HB THR 20 HB THR 20 13.074 7.310 14.386
142 HG1 THR 20 HG1 THR 20 11.886 6.706 17.001
143 1HG2 THR 20 1HG2 THR 20 12.643 9.669 15.462
144 2HG2 THR 20 2HG2 THR 20 12.652 8.794 17.012
145 3HG2 THR 20 3HG2 THR 20 14.096 8.778 15.973
146 H THR 21 H THR 21 12.307 9.070 13.234
147 HA THR 21 HA THR 21 10.669 11.425 13.598
148 HB THR 21 HB THR 21 13.253 10.670 12.206
149 HG1 THR 21 HG1 THR 21 12.203 12.748 13.995
150 1HG2 THR 21 1HG2 THR 21 13.363 13.062 11.393
151 2HG2 THR 21 2HG2 THR 21 12.139 12.104 10.524
152 3HG2 THR 21 3HG2 THR 21 11.638 13.242 11.799
153 H GLY 22 H GLY 22 11.218 8.883 11.131
154 1HA GLY 22 1HA GLY 22 8.840 8.651 10.038
155 2HA GLY 22 2HA GLY 22 9.305 10.192 9.346
156 H ASP 23 H ASP 23 11.350 7.299 10.119
157 HA ASP 23 HA ASP 23 12.590 7.516 7.590
158 1HB ASP 23 1HB ASP 23 12.725 5.447 9.827
159 2HB ASP 23 2HB ASP 23 13.679 5.302 8.365
160 HD2 ASP 23 HD2 ASP 23 14.287 5.845 11.226
161 H VAL 24 H VAL 24 10.145 5.419 9.201
162 HA VAL 24 HA VAL 24 9.555 4.244 6.579
163 HB VAL 24 HB VAL 24 9.574 2.772 9.222
164 1HG1 VAL 24 1HG1 VAL 24 9.571 0.871 7.267
165 2HG1 VAL 24 2HG1 VAL 24 8.112 1.474 8.090
166 3HG1 VAL 24 3HG1 VAL 24 8.581 2.141 6.508
167 1HG2 VAL 24 1HG2 VAL 24 11.833 3.497 8.031
168 2HG2 VAL 24 2HG2 VAL 24 11.636 1.880 8.750
169 3HG2 VAL 24 3HG2 VAL 24 11.456 2.101 6.993
170 H THR 25 H THR 25 7.292 3.616 6.307
171 HA THR 25 HA THR 25 5.464 4.567 8.362
172 HB THR 25 HB THR 25 5.700 5.717 5.536
173 HG1 THR 25 HG1 THR 25 5.455 6.882 8.212
174 1HG2 THR 25 1HG2 THR 25 3.265 5.244 6.306
175 2HG2 THR 25 2HG2 THR 25 3.583 6.387 7.632
176 3HG2 THR 25 3HG2 THR 25 3.658 6.941 5.943
177 H GLN 26 H GLN 26 4.097 2.949 8.726
178 HA GLN 26 HA GLN 26 3.797 0.948 6.721
179 1HB GLN 26 1HB GLN 26 3.557 1.089 9.548
180 2HB GLN 26 2HB GLN 26 1.954 0.687 8.966
181 1HG GLN 26 1HG GLN 26 2.660 -1.331 7.977
182 2HG GLN 26 2HG GLN 26 4.314 -0.784 7.786
183 1HE2 GLN 26 1HE2 GLN 26 3.644 -3.245 8.855
184 2HE2 GLN 26 2HE2 GLN 26 4.099 -3.319 10.525
185 H VAL 27 H VAL 27 1.820 0.347 5.650
186 HA VAL 27 HA VAL 27 -0.535 1.914 6.058
187 HB VAL 27 HB VAL 27 0.458 3.579 4.791
188 1HG1 VAL 27 1HG1 VAL 27 1.767 1.336 3.268
189 2HG1 VAL 27 2HG1 VAL 27 1.614 2.950 2.534
190 3HG1 VAL 27 3HG1 VAL 27 2.504 2.748 4.063
191 1HG2 VAL 27 1HG2 VAL 27 -1.070 1.764 2.902
192 2HG2 VAL 27 2HG2 VAL 27 -1.701 3.120 3.868
193 3HG2 VAL 27 3HG2 VAL 27 -0.600 3.434 2.504
194 H LYS 28 H LYS 28 -2.358 0.854 5.230
195 HA LYS 28 HA LYS 28 -1.825 -1.853 4.364
196 1HB LYS 28 1HB LYS 28 -3.957 -0.431 5.752
197 2HB LYS 28 2HB LYS 28 -4.590 -1.439 4.466
198 1HG LYS 28 1HG LYS 28 -3.257 -3.380 5.357
199 2HG LYS 28 2HG LYS 28 -2.679 -2.366 6.664
200 1HD LYS 28 1HD LYS 28 -5.638 -2.896 6.130
201 2HD LYS 28 2HD LYS 28 -4.677 -3.840 7.249
202 1HE LYS 28 1HE LYS 28 -4.060 -1.459 8.277
203 2HE LYS 28 2HE LYS 28 -5.518 -0.938 7.456
204 1HZ LYS 28 1HZ LYS 28 -6.512 -1.706 9.329
205 2HZ LYS 28 2HZ LYS 28 -6.353 -3.191 8.680
206 H VAL 29 H VAL 29 -2.298 -2.717 2.349
207 HA VAL 29 HA VAL 29 -3.516 -0.908 0.406
208 HB VAL 29 HB VAL 29 -1.795 -1.105 -1.144
209 1HG1 VAL 29 1HG1 VAL 29 -1.299 0.360 0.870
210 2HG1 VAL 29 2HG1 VAL 29 -0.243 -0.949 1.453
211 3HG1 VAL 29 3HG1 VAL 29 0.111 -0.142 -0.093
212 1HG2 VAL 29 1HG2 VAL 29 -1.377 -3.489 -1.006
213 2HG2 VAL 29 2HG2 VAL 29 0.166 -2.612 -0.866
214 3HG2 VAL 29 3HG2 VAL 29 -0.603 -3.299 0.586
215 H ARG 30 H ARG 30 -4.225 -2.118 -1.587
216 HA ARG 30 HA ARG 30 -4.712 -4.903 -0.895
217 1HB ARG 30 1HB ARG 30 -6.812 -3.683 -0.609
218 2HB ARG 30 2HB ARG 30 -6.617 -2.870 -2.148
219 1HG ARG 30 1HG ARG 30 -6.873 -4.994 -3.367
220 2HG ARG 30 2HG ARG 30 -6.898 -5.897 -1.865
221 1HD ARG 30 1HD ARG 30 -8.912 -3.772 -1.801
222 2HD ARG 30 2HD ARG 30 -9.128 -4.770 -3.226
223 HE ARG 30 HE ARG 30 -8.685 -6.317 -0.772
224 1HH1 ARG 30 1HH1 ARG 30 -11.121 -4.773 -2.830
225 2HH1 ARG 30 2HH1 ARG 30 -12.420 -5.759 -2.244
226 1HH2 ARG 30 1HH2 ARG 30 -11.972 -7.425 -0.581
227 H ILE 31 H ILE 31 -4.803 -6.398 -2.728
228 HA ILE 31 HA ILE 31 -3.078 -5.623 -4.848
229 HB ILE 31 HB ILE 31 -4.720 -8.126 -4.446
230 1HG1 ILE 31 1HG1 ILE 31 -1.997 -7.290 -3.466
231 2HG1 ILE 31 2HG1 ILE 31 -3.329 -7.979 -2.561
232 1HG2 ILE 31 1HG2 ILE 31 -3.757 -7.499 -6.792
233 2HG2 ILE 31 2HG2 ILE 31 -2.201 -7.975 -6.069
234 3HG2 ILE 31 3HG2 ILE 31 -3.541 -9.143 -6.147
235 1HD1 ILE 31 1HD1 ILE 31 -1.487 -9.629 -2.994
236 2HD1 ILE 31 2HD1 ILE 31 -3.046 -10.148 -3.679
237 3HD1 ILE 31 3HD1 ILE 31 -1.793 -9.465 -4.741
238 H LEU 32 H LEU 32 -3.569 -4.718 -6.777
239 HA LEU 32 HA LEU 32 -6.265 -4.011 -7.307
240 1HB LEU 32 1HB LEU 32 -3.632 -3.655 -8.699
241 2HB LEU 32 2HB LEU 32 -5.128 -3.277 -9.531
242 HG LEU 32 HG LEU 32 -5.182 -2.039 -6.939
243 1HD1 LEU 32 1HD1 LEU 32 -2.881 -0.934 -8.495
244 2HD1 LEU 32 2HD1 LEU 32 -3.253 -0.823 -6.758
245 3HD1 LEU 32 3HD1 LEU 32 -2.607 -2.337 -7.435
246 1HD2 LEU 32 1HD2 LEU 32 -5.441 -1.282 -9.796
247 2HD2 LEU 32 2HD2 LEU 32 -6.502 -0.939 -8.409
248 3HD2 LEU 32 3HD2 LEU 32 -5.024 0.021 -8.657
249 H GLU 33 H GLU 33 -3.975 -6.507 -8.501
250 HA GLU 33 HA GLU 33 -6.105 -8.149 -9.254
251 1HB GLU 33 1HB GLU 33 -5.705 -8.218 -11.709
252 2HB GLU 33 2HB GLU 33 -6.300 -6.654 -11.186
253 1HG GLU 33 1HG GLU 33 -4.492 -6.155 -12.664
254 2HG GLU 33 2HG GLU 33 -3.840 -5.896 -11.060
255 HE2 GLU 33 HE2 GLU 33 -1.567 -8.185 -11.074
256 H GLY 34 H GLY 34 -5.186 -10.180 -10.497
257 1HA GLY 34 1HA GLY 34 -2.824 -11.056 -11.010
258 2HA GLY 34 2HA GLY 34 -2.555 -10.756 -9.304
259 H ARG 35 H ARG 35 -2.440 -12.790 -8.398
260 HA ARG 35 HA ARG 35 -4.210 -14.815 -9.313
261 1HB ARG 35 1HB ARG 35 -1.707 -14.744 -8.019
262 2HB ARG 35 2HB ARG 35 -2.783 -15.369 -6.785
263 1HG ARG 35 1HG ARG 35 -3.145 -16.548 -9.510
264 2HG ARG 35 2HG ARG 35 -1.619 -16.918 -8.730
265 1HD ARG 35 1HD ARG 35 -3.554 -17.252 -6.687
266 2HD ARG 35 2HD ARG 35 -4.304 -17.934 -8.116
267 HE ARG 35 HE ARG 35 -2.066 -19.049 -6.663
268 1HH1 ARG 35 1HH1 ARG 35 -3.385 -18.741 -9.937
269 2HH1 ARG 35 2HH1 ARG 35 -2.611 -20.178 -10.517
270 1HH2 ARG 35 1HH2 ARG 35 -1.240 -21.457 -9.025
271 H ASP 36 H ASP 36 -3.720 -12.836 -6.322
272 HA ASP 36 HA ASP 36 -5.994 -14.056 -5.092
273 1HB ASP 36 1HB ASP 36 -4.350 -11.630 -4.227
274 2HB ASP 36 2HB ASP 36 -5.491 -12.501 -3.220
275 HD2 ASP 36 HD2 ASP 36 -2.448 -12.811 -4.810
276 H LYS 37 H LYS 37 -4.970 -10.891 -6.524
277 HA LYS 37 HA LYS 37 -6.120 -8.984 -6.829
278 1HB LYS 37 1HB LYS 37 -6.452 -10.071 -8.907
279 2HB LYS 37 2HB LYS 37 -7.687 -11.131 -8.262
280 1HG LYS 37 1HG LYS 37 -9.195 -9.180 -7.897
281 2HG LYS 37 2HG LYS 37 -7.954 -8.097 -8.493
282 1HD LYS 37 1HD LYS 37 -9.071 -8.382 -10.487
283 2HD LYS 37 2HD LYS 37 -8.044 -9.798 -10.606
284 1HE LYS 37 1HE LYS 37 -9.775 -11.284 -10.038
285 2HE LYS 37 2HE LYS 37 -10.666 -10.074 -9.136
286 1HZ LYS 37 1HZ LYS 37 -11.401 -9.074 -11.151
287 2HZ LYS 37 2HZ LYS 37 -10.344 -9.897 -12.077
288 H GLY 38 H GLY 38 -6.654 -8.322 -4.701
289 1HA GLY 38 1HA GLY 38 -8.686 -7.343 -3.757
290 2HA GLY 38 2HA GLY 38 -9.458 -8.904 -3.952
291 H ARG 39 H ARG 39 -6.051 -8.422 -2.912
292 HA ARG 39 HA ARG 39 -6.859 -9.553 -0.355
293 1HB ARG 39 1HB ARG 39 -5.102 -10.663 -2.108
294 2HB ARG 39 2HB ARG 39 -3.981 -9.623 -1.251
295 1HG ARG 39 1HG ARG 39 -5.643 -10.896 0.725
296 2HG ARG 39 2HG ARG 39 -5.117 -12.141 -0.390
297 1HD ARG 39 1HD ARG 39 -2.763 -10.739 -0.045
298 2HD ARG 39 2HD ARG 39 -3.508 -10.512 1.524
299 HE ARG 39 HE ARG 39 -3.860 -13.208 1.112
300 1HH1 ARG 39 1HH1 ARG 39 -1.008 -11.117 0.881
301 2HH1 ARG 39 2HH1 ARG 39 0.104 -12.378 1.301
302 1HH2 ARG 39 1HH2 ARG 39 -0.733 -14.576 1.760
303 H VAL 40 H VAL 40 -6.393 -8.378 1.514
304 HA VAL 40 HA VAL 40 -5.018 -5.834 1.094
305 HB VAL 40 HB VAL 40 -6.058 -5.241 3.262
306 1HG1 VAL 40 1HG1 VAL 40 -8.099 -4.675 2.327
307 2HG1 VAL 40 2HG1 VAL 40 -7.126 -5.014 0.874
308 3HG1 VAL 40 3HG1 VAL 40 -8.270 -6.233 1.485
309 1HG2 VAL 40 1HG2 VAL 40 -7.548 -7.872 3.004
310 2HG2 VAL 40 2HG2 VAL 40 -6.215 -7.574 4.144
311 3HG2 VAL 40 3HG2 VAL 40 -7.730 -6.651 4.285
312 H ILE 41 H ILE 41 -3.133 -5.291 2.178
313 HA ILE 41 HA ILE 41 -2.172 -7.122 4.215
314 HB ILE 41 HB ILE 41 0.054 -7.234 3.056
315 1HG1 ILE 41 1HG1 ILE 41 -1.512 -6.493 0.573
316 2HG1 ILE 41 2HG1 ILE 41 -0.491 -5.363 1.439
317 1HG2 ILE 41 1HG2 ILE 41 -0.470 -9.286 2.288
318 2HG2 ILE 41 2HG2 ILE 41 -2.051 -8.931 3.024
319 3HG2 ILE 41 3HG2 ILE 41 -1.807 -8.690 1.276
320 1HD1 ILE 41 1HD1 ILE 41 0.964 -7.848 1.020
321 2HD1 ILE 41 2HD1 ILE 41 0.314 -7.251 -0.526
322 3HD1 ILE 41 3HD1 ILE 41 1.366 -6.207 0.459
323 H ARG 42 H ARG 42 0.150 -6.160 4.949
324 HA ARG 42 HA ARG 42 -0.341 -3.298 5.163
325 1HB ARG 42 1HB ARG 42 1.146 -5.105 7.136
326 2HB ARG 42 2HB ARG 42 0.784 -3.408 7.375
327 1HG ARG 42 1HG ARG 42 -1.737 -4.301 6.878
328 2HG ARG 42 2HG ARG 42 -1.051 -5.782 7.514
329 1HD ARG 42 1HD ARG 42 -0.269 -3.465 9.147
330 2HD ARG 42 2HD ARG 42 -2.012 -3.590 9.018
331 HE ARG 42 HE ARG 42 -0.202 -5.531 10.308
332 1HH1 ARG 42 1HH1 ARG 42 -3.469 -4.907 9.089
333 2HH1 ARG 42 2HH1 ARG 42 -4.195 -6.165 10.032
334 1HH2 ARG 42 1HH2 ARG 42 -2.818 -7.495 11.474
335 H ARG 43 H ARG 43 1.027 -2.388 3.614
336 HA ARG 43 HA ARG 43 3.695 -3.490 3.439
337 1HB ARG 43 1HB ARG 43 1.832 -2.271 1.563
338 2HB ARG 43 2HB ARG 43 3.324 -1.353 1.556
339 1HG ARG 43 1HG ARG 43 3.245 -4.393 1.305
340 2HG ARG 43 2HG ARG 43 3.229 -3.322 -0.082
341 1HD ARG 43 1HD ARG 43 5.508 -3.418 0.023
342 2HD ARG 43 2HD ARG 43 5.370 -2.313 1.377
343 HE ARG 43 HE ARG 43 6.021 -4.046 2.794
344 1HH1 ARG 43 1HH1 ARG 43 4.714 -5.475 -0.174
345 2HH1 ARG 43 2HH1 ARG 43 5.099 -7.098 0.290
346 1HH2 ARG 43 1HH2 ARG 43 6.166 -7.495 2.400
347 H ASN 44 H ASN 44 5.537 -2.295 4.036
348 HA ASN 44 HA ASN 44 4.936 0.290 5.229
349 1HB ASN 44 1HB ASN 44 6.993 -0.064 6.580
350 2HB ASN 44 2HB ASN 44 5.908 -1.428 6.765
351 1HD2 ASN 44 1HD2 ASN 44 6.352 -3.391 5.753
352 2HD2 ASN 44 2HD2 ASN 44 7.932 -3.820 5.191
353 H VAL 45 H VAL 45 5.656 2.043 4.010
354 HA VAL 45 HA VAL 45 7.945 1.566 2.229
355 HB VAL 45 HB VAL 45 5.579 3.427 1.939
356 1HG1 VAL 45 1HG1 VAL 45 8.075 3.091 0.255
357 2HG1 VAL 45 2HG1 VAL 45 6.582 3.843 -0.357
358 3HG1 VAL 45 3HG1 VAL 45 7.450 4.573 1.016
359 1HG2 VAL 45 1HG2 VAL 45 5.733 0.727 1.368
360 2HG2 VAL 45 2HG2 VAL 45 4.597 1.886 0.635
361 3HG2 VAL 45 3HG2 VAL 45 6.120 1.487 -0.196
362 H ARG 46 H ARG 46 9.176 3.705 1.757
363 HA ARG 46 HA ARG 46 9.708 4.838 4.346
364 1HB ARG 46 1HB ARG 46 11.225 5.442 1.774
365 2HB ARG 46 2HB ARG 46 11.816 5.552 3.420
366 1HG ARG 46 1HG ARG 46 12.666 3.464 3.125
367 2HG ARG 46 2HG ARG 46 11.018 2.879 3.243
368 1HD ARG 46 1HD ARG 46 10.765 3.174 0.747
369 2HD ARG 46 2HD ARG 46 12.441 3.677 0.657
370 HE ARG 46 HE ARG 46 12.580 1.247 1.986
371 1HH1 ARG 46 1HH1 ARG 46 11.158 2.281 -1.090
372 2HH1 ARG 46 2HH1 ARG 46 11.368 0.737 -1.848
373 1HH2 ARG 46 1HH2 ARG 46 12.369 -1.053 -0.608
374 H GLY 47 H GLY 47 9.181 6.955 4.907
375 1HA GLY 47 1HA GLY 47 8.843 9.213 4.480
376 2HA GLY 47 2HA GLY 47 8.576 8.873 2.782
377 HA PRO 48 HA PRO 48 4.514 9.309 4.872
378 1HB PRO 48 1HB PRO 48 3.660 11.627 3.701
379 2HB PRO 48 2HB PRO 48 4.421 11.574 5.279
380 1HG PRO 48 1HG PRO 48 5.559 12.467 2.702
381 2HG PRO 48 2HG PRO 48 6.130 12.795 4.326
382 1HD PRO 48 1HD PRO 48 7.239 10.917 2.464
383 2HD PRO 48 2HD PRO 48 7.736 11.162 4.126
384 H VAL 49 H VAL 49 2.571 8.506 4.154
385 HA VAL 49 HA VAL 49 2.587 8.076 1.245
386 HB VAL 49 HB VAL 49 2.597 6.225 3.311
387 1HG1 VAL 49 1HG1 VAL 49 0.172 6.890 3.688
388 2HG1 VAL 49 2HG1 VAL 49 -0.176 6.184 2.091
389 3HG1 VAL 49 3HG1 VAL 49 0.472 5.160 3.395
390 1HG2 VAL 49 1HG2 VAL 49 2.789 4.717 1.613
391 2HG2 VAL 49 2HG2 VAL 49 1.419 5.395 0.702
392 3HG2 VAL 49 3HG2 VAL 49 3.005 6.201 0.655
393 H ARG 50 H ARG 50 0.140 7.559 0.529
394 HA ARG 50 HA ARG 50 -1.746 9.105 1.989
395 1HB ARG 50 1HB ARG 50 -0.664 10.925 0.742
396 2HB ARG 50 2HB ARG 50 -0.765 10.023 -0.757
397 1HG ARG 50 1HG ARG 50 -3.043 10.429 -1.025
398 2HG ARG 50 2HG ARG 50 -3.350 10.490 0.699
399 1HD ARG 50 1HD ARG 50 -1.619 12.678 0.230
400 2HD ARG 50 2HD ARG 50 -2.702 12.683 -1.149
401 HE ARG 50 HE ARG 50 -3.399 13.367 1.571
402 1HH1 ARG 50 1HH1 ARG 50 -4.729 11.840 -1.337
403 2HH1 ARG 50 2HH1 ARG 50 -6.370 12.216 -0.934
404 1HH2 ARG 50 1HH2 ARG 50 -6.839 13.407 1.092
405 H VAL 51 H VAL 51 -3.920 8.551 1.382
406 HA VAL 51 HA VAL 51 -4.330 6.075 0.302
407 HB VAL 51 HB VAL 51 -6.025 8.502 0.741
408 1HG1 VAL 51 1HG1 VAL 51 -8.036 7.241 0.052
409 2HG1 VAL 51 2HG1 VAL 51 -6.938 7.553 -1.313
410 3HG1 VAL 51 3HG1 VAL 51 -6.994 5.939 -0.568
411 1HG2 VAL 51 1HG2 VAL 51 -5.440 5.952 2.087
412 2HG2 VAL 51 2HG2 VAL 51 -6.017 7.499 2.754
413 3HG2 VAL 51 3HG2 VAL 51 -7.172 6.357 2.028
414 H GLY 52 H GLY 52 -4.960 5.258 -1.742
415 1HA GLY 52 1HA GLY 52 -5.464 5.440 -3.999
416 2HA GLY 52 2HA GLY 52 -4.959 7.118 -3.998
417 H ASP 53 H ASP 53 -2.426 6.448 -2.433
418 HA ASP 53 HA ASP 53 -0.660 6.402 -4.417
419 1HB ASP 53 1HB ASP 53 0.228 6.760 -2.267
420 2HB ASP 53 2HB ASP 53 -0.587 5.367 -1.585
421 HD2 ASP 53 HD2 ASP 53 1.794 3.549 -1.384
422 H ILE 54 H ILE 54 -0.049 4.889 -5.980
423 HA ILE 54 HA ILE 54 -0.658 2.075 -5.391
424 HB ILE 54 HB ILE 54 -1.146 3.732 -7.832
425 1HG1 ILE 54 1HG1 ILE 54 -2.824 1.502 -6.682
426 2HG1 ILE 54 2HG1 ILE 54 -2.878 3.123 -6.017
427 1HG2 ILE 54 1HG2 ILE 54 0.113 2.105 -8.899
428 2HG2 ILE 54 2HG2 ILE 54 -0.387 0.824 -7.769
429 3HG2 ILE 54 3HG2 ILE 54 -1.534 1.436 -8.985
430 1HD1 ILE 54 1HD1 ILE 54 -4.616 3.093 -7.641
431 2HD1 ILE 54 2HD1 ILE 54 -3.275 3.933 -8.456
432 3HD1 ILE 54 3HD1 ILE 54 -3.610 2.224 -8.826
433 H LEU 55 H LEU 55 0.921 0.540 -5.920
434 HA LEU 55 HA LEU 55 3.262 1.383 -7.353
435 1HB LEU 55 1HB LEU 55 4.829 0.908 -5.546
436 2HB LEU 55 2HB LEU 55 3.821 2.303 -5.219
437 HG LEU 55 HG LEU 55 2.348 0.648 -3.855
438 1HD1 LEU 55 1HD1 LEU 55 2.989 -1.466 -3.673
439 2HD1 LEU 55 2HD1 LEU 55 4.343 -1.142 -4.782
440 3HD1 LEU 55 3HD1 LEU 55 4.568 -0.958 -3.026
441 1HD2 LEU 55 1HD2 LEU 55 4.139 2.494 -3.144
442 2HD2 LEU 55 2HD2 LEU 55 3.314 1.449 -1.962
443 3HD2 LEU 55 3HD2 LEU 55 4.965 1.057 -2.497
444 H ILE 56 H ILE 56 4.613 -0.444 -7.953
445 HA ILE 56 HA ILE 56 3.159 -2.974 -7.623
446 HB ILE 56 HB ILE 56 5.049 -2.274 -9.859
447 1HG1 ILE 56 1HG1 ILE 56 2.147 -1.588 -9.529
448 2HG1 ILE 56 2HG1 ILE 56 3.453 -0.626 -10.194
449 1HG2 ILE 56 1HG2 ILE 56 3.995 -4.687 -9.076
450 2HG2 ILE 56 2HG2 ILE 56 2.844 -4.151 -10.324
451 3HG2 ILE 56 3HG2 ILE 56 4.577 -4.286 -10.710
452 1HD1 ILE 56 1HD1 ILE 56 2.469 -1.242 -12.186
453 2HD1 ILE 56 2HD1 ILE 56 3.503 -2.676 -11.977
454 3HD1 ILE 56 3HD1 ILE 56 1.787 -2.739 -11.505
455 H LEU 57 H LEU 57 4.367 -4.893 -7.185
456 HA LEU 57 HA LEU 57 7.123 -4.363 -6.322
457 1HB LEU 57 1HB LEU 57 4.843 -5.582 -4.837
458 2HB LEU 57 2HB LEU 57 6.442 -6.253 -4.588
459 HG LEU 57 HG LEU 57 5.919 -3.294 -4.301
460 1HD1 LEU 57 1HD1 LEU 57 4.763 -5.331 -2.693
461 2HD1 LEU 57 2HD1 LEU 57 6.050 -4.555 -1.740
462 3HD1 LEU 57 3HD1 LEU 57 4.745 -3.569 -2.443
463 1HD2 LEU 57 1HD2 LEU 57 7.888 -3.439 -2.787
464 2HD2 LEU 57 2HD2 LEU 57 8.064 -5.152 -3.239
465 3HD2 LEU 57 3HD2 LEU 57 8.244 -3.883 -4.474
466 H ARG 58 H ARG 58 5.755 -5.472 -8.843
467 HA ARG 58 HA ARG 58 6.255 -6.975 -10.319
468 1HB ARG 58 1HB ARG 58 8.611 -6.826 -9.037
469 2HB ARG 58 2HB ARG 58 8.203 -8.455 -8.533
470 1HG ARG 58 1HG ARG 58 7.625 -8.632 -11.209
471 2HG ARG 58 2HG ARG 58 8.894 -7.425 -11.257
472 1HD ARG 58 1HD ARG 58 9.818 -9.420 -9.442
473 2HD ARG 58 2HD ARG 58 9.115 -10.301 -10.784
474 HE ARG 58 HE ARG 58 10.637 -8.322 -12.016
475 1HH1 ARG 58 1HH1 ARG 58 11.329 -10.874 -9.658
476 2HH1 ARG 58 2HH1 ARG 58 12.975 -11.064 -10.161
477 1HH2 ARG 58 1HH2 ARG 58 13.825 -9.700 -11.938
478 H GLU 59 H GLU 59 6.590 -8.626 -7.082
479 HA GLU 59 HA GLU 59 4.180 -10.037 -7.501
480 1HB GLU 59 1HB GLU 59 5.092 -12.312 -7.591
481 2HB GLU 59 2HB GLU 59 5.679 -11.383 -8.956
482 1HG GLU 59 1HG GLU 59 7.590 -10.904 -6.933
483 2HG GLU 59 2HG GLU 59 7.190 -12.599 -6.744
484 HE2 GLU 59 HE2 GLU 59 9.819 -12.196 -8.045
485 H THR 60 H THR 60 3.905 -11.741 -5.611
486 HA THR 60 HA THR 60 4.199 -10.411 -3.210
487 HB THR 60 HB THR 60 3.535 -12.636 -2.258
488 HG1 THR 60 HG1 THR 60 4.765 -14.077 -3.518
489 1HG2 THR 60 1HG2 THR 60 1.464 -12.854 -3.370
490 2HG2 THR 60 2HG2 THR 60 1.920 -11.195 -3.824
491 3HG2 THR 60 3HG2 THR 60 2.180 -12.534 -4.968
492 H GLU 61 H GLU 61 6.481 -12.517 -4.929
493 HA GLU 61 HA GLU 61 8.509 -13.158 -4.475
494 1HB GLU 61 1HB GLU 61 8.342 -10.360 -3.726
495 2HB GLU 61 2HB GLU 61 9.512 -11.158 -2.693
496 1HG GLU 61 1HG GLU 61 10.179 -12.240 -5.141
497 2HG GLU 61 2HG GLU 61 9.608 -10.658 -5.634
498 HE2 GLU 61 HE2 GLU 61 12.268 -10.967 -5.934
499 H ARG 62 H ARG 62 10.272 -13.219 -2.376
500 HA ARG 62 HA ARG 62 10.736 -14.205 -0.512
501 1HB ARG 62 1HB ARG 62 8.030 -13.045 0.231
502 2HB ARG 62 2HB ARG 62 8.858 -14.087 1.371
503 1HG ARG 62 1HG ARG 62 10.598 -12.569 1.724
504 2HG ARG 62 2HG ARG 62 10.474 -11.881 0.116
505 1HD ARG 62 1HD ARG 62 8.085 -11.048 0.992
506 2HD ARG 62 2HD ARG 62 8.814 -11.271 2.570
507 HE ARG 62 HE ARG 62 10.257 -9.454 2.159
508 1HH1 ARG 62 1HH1 ARG 62 8.615 -10.372 -0.844
509 2HH1 ARG 62 2HH1 ARG 62 9.146 -8.968 -1.710
510 1HH2 ARG 62 1HH2 ARG 62 10.523 -7.354 -0.596
511 H GLU 63 H GLU 63 7.238 -14.902 -0.035
512 HA GLU 63 HA GLU 63 7.880 -17.705 -0.158
513 1HB GLU 63 1HB GLU 63 5.825 -16.024 1.124
514 2HB GLU 63 2HB GLU 63 5.147 -17.471 0.405
515 1HG GLU 63 1HG GLU 63 5.836 -18.587 2.261
516 2HG GLU 63 2HG GLU 63 7.471 -18.422 1.650
517 HE2 GLU 63 HE2 GLU 63 8.238 -15.705 2.609
518 H ALA 64 H ALA 64 7.668 -18.831 -2.039
519 HA ALA 64 HA ALA 64 5.346 -18.368 -3.684
520 1HB ALA 64 1HB ALA 64 8.146 -17.603 -4.499
521 2HB ALA 64 2HB ALA 64 7.010 -18.223 -5.720
522 3HB ALA 64 3HB ALA 64 6.610 -16.755 -4.796
523 H ARG 65 H ARG 65 5.575 -20.547 -2.207
524 HA ARG 65 HA ARG 65 7.242 -22.506 -3.319
525 1HB ARG 65 1HB ARG 65 5.023 -22.404 -1.294
526 2HB ARG 65 2HB ARG 65 5.346 -23.974 -2.003
527 1HG ARG 65 1HG ARG 65 7.013 -24.180 -0.470
528 2HG ARG 65 2HG ARG 65 7.915 -23.034 -1.442
529 1HD ARG 65 1HD ARG 65 6.557 -21.207 -0.076
530 2HD ARG 65 2HD ARG 65 6.279 -22.512 1.058
531 HE ARG 65 HE ARG 65 8.783 -21.108 0.628
532 1HH1 ARG 65 1HH1 ARG 65 7.442 -24.249 1.570
533 2HH1 ARG 65 2HH1 ARG 65 8.842 -24.714 2.478
534 1HH2 ARG 65 1HH2 ARG 65 10.704 -23.213 2.614
535 H GLU 66 H GLU 66 3.652 -21.911 -3.433
536 HA GLU 66 HA GLU 66 2.259 -22.181 -5.120
537 1HB GLU 66 1HB GLU 66 4.434 -22.088 -6.619
538 2HB GLU 66 2HB GLU 66 4.210 -23.821 -6.753
539 1HG GLU 66 1HG GLU 66 1.661 -23.039 -7.280
540 2HG GLU 66 2HG GLU 66 2.494 -21.592 -7.813
541 HE2 GLU 66 HE2 GLU 66 3.799 -21.733 -9.450
542 H ILE 67 H ILE 67 2.570 -23.883 -2.816
543 HA ILE 67 HA ILE 67 2.234 -25.974 -2.061
544 HB ILE 67 HB ILE 67 0.021 -24.810 -2.693
545 1HG1 ILE 67 1HG1 ILE 67 -0.802 -27.545 -2.420
546 2HG1 ILE 67 2HG1 ILE 67 0.669 -27.314 -1.495
547 1HG2 ILE 67 1HG2 ILE 67 -0.921 -25.232 -4.655
548 2HG2 ILE 67 2HG2 ILE 67 0.511 -26.184 -5.116
549 3HG2 ILE 67 3HG2 ILE 67 -0.877 -26.984 -4.339
550 1HD1 ILE 67 1HD1 ILE 67 -1.815 -26.683 -0.554
551 2HD1 ILE 67 2HD1 ILE 67 -0.327 -25.876 -0.001
552 3HD1 ILE 67 3HD1 ILE 67 -1.339 -25.116 -1.253
553 H LYS 68 H LYS 68 0.726 -28.071 -3.691
554 HA LYS 68 HA LYS 68 2.240 -28.745 -5.932
555 1HB LYS 68 1HB LYS 68 4.061 -28.946 -4.225
556 2HB LYS 68 2HB LYS 68 3.139 -30.209 -3.433
557 1HG LYS 68 1HG LYS 68 3.203 -31.601 -5.469
558 2HG LYS 68 2HG LYS 68 3.983 -30.314 -6.367
559 1HD LYS 68 1HD LYS 68 5.961 -30.434 -4.861
560 2HD LYS 68 2HD LYS 68 5.178 -31.680 -3.908
561 1HE LYS 68 1HE LYS 68 6.413 -33.048 -5.313
562 2HE LYS 68 2HE LYS 68 4.974 -32.896 -6.301
563 1HZ LYS 68 1HZ LYS 68 6.873 -30.761 -6.713
564 2HZ LYS 68 2HZ LYS 68 7.462 -32.224 -7.122
565 H SER 69 H SER 69 0.396 -29.809 -3.040
566 HA SER 69 HA SER 69 -1.298 -31.143 -2.807
567 1HB SER 69 1HB SER 69 -1.681 -30.805 -5.815
568 2HB SER 69 2HB SER 69 -2.878 -31.474 -4.725
569 HG SER 69 HG SER 69 -2.049 -29.089 -3.702
570 H ARG 70 H ARG 70 -2.280 -33.398 -3.549
571 HA ARG 70 HA ARG 70 -0.430 -34.950 -5.070
572 1HB ARG 70 1HB ARG 70 -0.473 -36.681 -3.019
573 2HB ARG 70 2HB ARG 70 0.747 -35.427 -3.112
574 1HG ARG 70 1HG ARG 70 -0.083 -34.311 -1.297
575 2HG ARG 70 2HG ARG 70 -1.744 -34.485 -1.830
576 1HD ARG 70 1HD ARG 70 -0.099 -36.693 -0.498
577 2HD ARG 70 2HD ARG 70 -1.295 -35.705 0.317
578 HE ARG 70 HE ARG 70 -2.568 -36.832 -1.956
579 1HH1 ARG 70 1HH1 ARG 70 -1.128 -37.950 1.083
580 2HH1 ARG 70 2HH1 ARG 70 -2.142 -39.350 1.192
581 1HH2 ARG 70 1HH2 ARG 70 -3.769 -39.758 -0.520
582 H ARG 71 H ARG 71 -1.476 -36.764 -6.005
583 HA ARG 71 HA ARG 71 -4.100 -37.379 -4.941
584 1HB ARG 71 1HB ARG 71 -4.960 -37.524 -7.339
585 2HB ARG 71 2HB ARG 71 -4.602 -35.897 -6.795
586 1HG ARG 71 1HG ARG 71 -2.241 -36.251 -7.840
587 2HG ARG 71 2HG ARG 71 -2.926 -37.659 -8.626
588 1HD ARG 71 1HD ARG 71 -4.198 -34.894 -8.844
589 2HD ARG 71 2HD ARG 71 -2.982 -35.457 -9.972
590 HE ARG 71 HE ARG 71 -5.760 -36.256 -9.915
591 1HH1 ARG 71 1HH1 ARG 71 -2.521 -37.501 -10.633
592 2HH1 ARG 71 2HH1 ARG 71 -3.094 -38.708 -11.736
593 1HH2 ARG 71 1HH2 ARG 71 -5.447 -38.893 -12.154
Start of MODEL 8
1 1H MET 1 1H MET 1 3.897 0.737 -23.440
2 HA MET 1 HA MET 1 6.304 -0.702 -24.214
3 1HB MET 1 1HB MET 1 5.461 2.223 -24.144
4 2HB MET 1 2HB MET 1 7.168 1.830 -24.142
5 1HG MET 1 1HG MET 1 5.448 0.447 -26.192
6 2HG MET 1 2HG MET 1 5.762 2.154 -26.435
7 1HE MET 1 1HE MET 1 6.692 -1.245 -26.341
8 2HE MET 1 2HE MET 1 8.137 -1.340 -27.376
9 3HE MET 1 3HE MET 1 8.314 -1.245 -25.607
10 H ALA 2 H ALA 2 5.412 -1.458 -21.721
11 HA ALA 2 HA ALA 2 7.569 -0.583 -20.075
12 1HB ALA 2 1HB ALA 2 6.178 0.304 -18.244
13 2HB ALA 2 2HB ALA 2 5.982 1.280 -19.719
14 3HB ALA 2 3HB ALA 2 4.722 0.114 -19.250
15 H GLU 3 H GLU 3 6.598 -1.523 -17.596
16 HA GLU 3 HA GLU 3 5.812 -4.242 -18.305
17 1HB GLU 3 1HB GLU 3 8.203 -4.205 -17.725
18 2HB GLU 3 2HB GLU 3 7.863 -3.362 -16.227
19 1HG GLU 3 1HG GLU 3 6.620 -5.281 -15.348
20 2HG GLU 3 2HG GLU 3 6.701 -6.105 -16.893
21 HE2 GLU 3 HE2 GLU 3 8.948 -7.529 -14.709
22 H ASP 4 H ASP 4 4.188 -5.175 -17.043
23 HA ASP 4 HA ASP 4 3.507 -3.871 -14.575
24 1HB ASP 4 1HB ASP 4 2.019 -3.483 -17.056
25 2HB ASP 4 2HB ASP 4 1.010 -4.322 -15.893
26 HD2 ASP 4 HD2 ASP 4 2.846 -0.965 -15.411
27 H GLU 5 H GLU 5 4.507 -6.537 -15.832
28 HA GLU 5 HA GLU 5 2.299 -8.296 -15.343
29 1HB GLU 5 1HB GLU 5 4.807 -8.405 -16.778
30 2HB GLU 5 2HB GLU 5 4.759 -9.743 -15.647
31 1HG GLU 5 1HG GLU 5 2.219 -9.256 -17.146
32 2HG GLU 5 2HG GLU 5 3.573 -9.781 -18.127
33 HE2 GLU 5 HE2 GLU 5 2.186 -12.855 -17.137
34 H GLY 6 H GLY 6 4.001 -6.536 -13.269
35 1HA GLY 6 1HA GLY 6 5.003 -8.576 -11.478
36 2HA GLY 6 2HA GLY 6 4.986 -6.841 -11.230
37 H TYR 7 H TYR 7 3.983 -6.633 -9.239
38 HA TYR 7 HA TYR 7 1.202 -7.546 -9.145
39 1HB TYR 7 1HB TYR 7 3.583 -8.051 -7.304
40 2HB TYR 7 2HB TYR 7 2.003 -7.891 -6.565
41 HD1 TYR 7 HD1 TYR 7 4.277 -10.111 -8.206
42 HD2 TYR 7 HD2 TYR 7 0.123 -9.460 -7.412
43 HE1 TYR 7 HE1 TYR 7 3.792 -12.558 -8.697
44 HE2 TYR 7 HE2 TYR 7 -0.348 -11.909 -7.907
45 HH TYR 7 HH TYR 7 0.816 -13.708 -9.353
46 HA PRO 8 HA PRO 8 1.455 -3.243 -7.923
47 1HB PRO 8 1HB PRO 8 -0.783 -2.400 -9.245
48 2HB PRO 8 2HB PRO 8 0.823 -2.344 -9.945
49 1HG PRO 8 1HG PRO 8 -1.386 -4.225 -10.518
50 2HG PRO 8 2HG PRO 8 0.040 -3.879 -11.478
51 1HD PRO 8 1HD PRO 8 -0.406 -6.189 -9.837
52 2HD PRO 8 2HD PRO 8 1.063 -5.788 -10.704
53 H ALA 9 H ALA 9 0.327 -1.946 -6.401
54 HA ALA 9 HA ALA 9 -2.075 -3.217 -5.361
55 1HB ALA 9 1HB ALA 9 -1.241 -3.542 -3.190
56 2HB ALA 9 2HB ALA 9 0.103 -4.090 -4.219
57 3HB ALA 9 3HB ALA 9 0.161 -2.480 -3.464
58 H GLU 10 H GLU 10 -3.416 -1.743 -4.164
59 HA GLU 10 HA GLU 10 -2.537 1.022 -4.490
60 1HB GLU 10 1HB GLU 10 -4.443 0.305 -5.984
61 2HB GLU 10 2HB GLU 10 -5.400 -0.028 -4.555
62 1HG GLU 10 1HG GLU 10 -4.833 2.446 -3.865
63 2HG GLU 10 2HG GLU 10 -4.368 2.654 -5.541
64 HE2 GLU 10 HE2 GLU 10 -5.804 2.827 -6.924
65 H VAL 11 H VAL 11 -2.932 2.492 -2.757
66 HA VAL 11 HA VAL 11 -2.965 1.292 -0.200
67 HB VAL 11 HB VAL 11 -3.186 4.160 -1.131
68 1HG1 VAL 11 1HG1 VAL 11 -2.273 3.448 1.629
69 2HG1 VAL 11 2HG1 VAL 11 -3.070 4.923 1.030
70 3HG1 VAL 11 3HG1 VAL 11 -4.019 3.439 1.287
71 1HG2 VAL 11 1HG2 VAL 11 -0.826 4.315 -0.631
72 2HG2 VAL 11 2HG2 VAL 11 -0.806 2.649 -0.005
73 3HG2 VAL 11 3HG2 VAL 11 -1.091 2.946 -1.737
74 H ILE 12 H ILE 12 -4.656 0.719 1.070
75 HA ILE 12 HA ILE 12 -7.302 1.573 0.168
76 HB ILE 12 HB ILE 12 -8.104 -0.310 1.552
77 1HG1 ILE 12 1HG1 ILE 12 -5.179 -1.041 1.868
78 2HG1 ILE 12 2HG1 ILE 12 -6.147 -0.304 3.129
79 1HG2 ILE 12 1HG2 ILE 12 -8.043 -1.450 -0.346
80 2HG2 ILE 12 2HG2 ILE 12 -6.759 -0.372 -0.946
81 3HG2 ILE 12 3HG2 ILE 12 -6.334 -1.864 -0.073
82 1HD1 ILE 12 1HD1 ILE 12 -5.978 -3.073 2.454
83 2HD1 ILE 12 2HD1 ILE 12 -7.014 -2.317 3.688
84 3HD1 ILE 12 3HD1 ILE 12 -7.623 -2.541 2.030
85 H GLU 13 H GLU 13 -5.084 1.474 2.995
86 HA GLU 13 HA GLU 13 -6.341 3.786 4.022
87 1HB GLU 13 1HB GLU 13 -7.967 2.165 4.870
88 2HB GLU 13 2HB GLU 13 -6.692 1.156 5.521
89 1HG GLU 13 1HG GLU 13 -6.311 2.550 7.334
90 2HG GLU 13 2HG GLU 13 -6.682 4.008 6.436
91 HE2 GLU 13 HE2 GLU 13 -7.868 1.864 8.619
92 H ILE 14 H ILE 14 -4.987 4.858 5.552
93 HA ILE 14 HA ILE 14 -2.339 3.647 5.748
94 HB ILE 14 HB ILE 14 -3.240 6.491 6.223
95 1HG1 ILE 14 1HG1 ILE 14 -1.545 5.930 3.893
96 2HG1 ILE 14 2HG1 ILE 14 -3.118 5.164 3.796
97 1HG2 ILE 14 1HG2 ILE 14 -1.290 6.508 7.366
98 2HG2 ILE 14 2HG2 ILE 14 -0.648 5.078 6.525
99 3HG2 ILE 14 3HG2 ILE 14 -0.603 6.671 5.733
100 1HD1 ILE 14 1HD1 ILE 14 -2.593 7.810 3.153
101 2HD1 ILE 14 2HD1 ILE 14 -4.203 7.152 3.527
102 3HD1 ILE 14 3HD1 ILE 14 -3.248 7.946 4.802
103 H ILE 15 H ILE 15 -1.369 3.141 7.698
104 HA ILE 15 HA ILE 15 -3.168 2.925 9.925
105 HB ILE 15 HB ILE 15 -0.252 2.180 9.676
106 1HG1 ILE 15 1HG1 ILE 15 -2.480 0.189 9.481
107 2HG1 ILE 15 2HG1 ILE 15 -2.102 1.156 8.069
108 1HG2 ILE 15 1HG2 ILE 15 -1.910 2.305 11.938
109 2HG2 ILE 15 2HG2 ILE 15 -1.822 0.582 11.497
110 3HG2 ILE 15 3HG2 ILE 15 -0.327 1.504 11.787
111 1HD1 ILE 15 1HD1 ILE 15 0.407 0.476 8.614
112 2HD1 ILE 15 2HD1 ILE 15 -0.367 -0.849 9.517
113 3HD1 ILE 15 3HD1 ILE 15 -0.665 -0.669 7.771
114 H GLY 16 H GLY 16 0.173 4.319 9.566
115 1HA GLY 16 1HA GLY 16 -0.203 6.863 10.319
116 2HA GLY 16 2HA GLY 16 -0.299 6.031 11.858
117 H ARG 17 H ARG 17 1.791 7.872 10.397
118 HA ARG 17 HA ARG 17 4.034 6.275 9.997
119 1HB ARG 17 1HB ARG 17 5.285 8.445 10.065
120 2HB ARG 17 2HB ARG 17 3.854 8.552 9.060
121 1HG ARG 17 1HG ARG 17 2.801 10.033 10.472
122 2HG ARG 17 2HG ARG 17 3.374 9.226 11.918
123 1HD ARG 17 1HD ARG 17 5.617 10.253 11.645
124 2HD ARG 17 2HD ARG 17 5.122 10.991 10.135
125 HE ARG 17 HE ARG 17 4.493 11.942 12.809
126 1HH1 ARG 17 1HH1 ARG 17 3.277 11.860 9.481
127 2HH1 ARG 17 2HH1 ARG 17 2.318 13.289 9.665
128 1HH2 ARG 17 1HH2 ARG 17 2.303 14.431 11.773
129 H THR 18 H THR 18 6.042 6.228 11.361
130 HA THR 18 HA THR 18 5.683 6.943 14.154
131 HB THR 18 HB THR 18 4.740 4.555 13.668
132 HG1 THR 18 HG1 THR 18 7.077 4.841 15.414
133 1HG2 THR 18 1HG2 THR 18 6.745 3.874 12.210
134 2HG2 THR 18 2HG2 THR 18 7.736 3.935 13.688
135 3HG2 THR 18 3HG2 THR 18 6.396 2.770 13.562
136 H GLY 19 H GLY 19 7.425 8.094 14.668
137 1HA GLY 19 1HA GLY 19 9.871 7.723 13.135
138 2HA GLY 19 2HA GLY 19 9.511 8.989 14.293
139 H THR 20 H THR 20 9.971 5.385 14.151
140 HA THR 20 HA THR 20 11.315 5.597 16.766
141 HB THR 20 HB THR 20 9.042 4.223 16.295
142 HG1 THR 20 HG1 THR 20 11.389 3.047 17.597
143 1HG2 THR 20 1HG2 THR 20 9.648 1.809 15.957
144 2HG2 THR 20 2HG2 THR 20 9.974 2.773 14.496
145 3HG2 THR 20 3HG2 THR 20 11.314 2.298 15.567
146 H THR 21 H THR 21 11.496 4.517 13.396
147 HA THR 21 HA THR 21 14.254 3.639 13.952
148 HB THR 21 HB THR 21 12.272 2.678 11.821
149 HG1 THR 21 HG1 THR 21 13.497 1.410 14.163
150 1HG2 THR 21 1HG2 THR 21 13.948 0.835 11.533
151 2HG2 THR 21 2HG2 THR 21 14.644 2.414 11.091
152 3HG2 THR 21 3HG2 THR 21 15.044 1.673 12.659
153 H GLY 22 H GLY 22 12.040 5.358 11.697
154 1HA GLY 22 1HA GLY 22 13.890 7.380 11.139
155 2HA GLY 22 2HA GLY 22 14.030 6.170 9.879
156 H ASP 23 H ASP 23 11.314 7.680 11.783
157 HA ASP 23 HA ASP 23 9.337 8.354 11.171
158 1HB ASP 23 1HB ASP 23 11.143 9.467 9.019
159 2HB ASP 23 2HB ASP 23 9.414 9.694 8.845
160 HD2 ASP 23 HD2 ASP 23 12.158 10.689 10.500
161 H VAL 24 H VAL 24 9.388 5.707 10.657
162 HA VAL 24 HA VAL 24 8.992 5.092 7.892
163 HB VAL 24 HB VAL 24 8.387 3.433 10.344
164 1HG1 VAL 24 1HG1 VAL 24 9.315 1.772 8.332
165 2HG1 VAL 24 2HG1 VAL 24 7.612 2.011 8.791
166 3HG1 VAL 24 3HG1 VAL 24 8.312 2.952 7.453
167 1HG2 VAL 24 1HG2 VAL 24 10.882 4.490 9.601
168 2HG2 VAL 24 2HG2 VAL 24 10.566 3.169 10.751
169 3HG2 VAL 24 3HG2 VAL 24 10.900 2.801 9.042
170 H THR 25 H THR 25 7.020 4.521 6.856
171 HA THR 25 HA THR 25 4.605 5.287 8.355
172 HB THR 25 HB THR 25 5.593 6.129 5.596
173 HG1 THR 25 HG1 THR 25 4.961 8.182 6.652
174 1HG2 THR 25 1HG2 THR 25 3.407 6.974 5.059
175 2HG2 THR 25 2HG2 THR 25 3.115 5.297 5.579
176 3HG2 THR 25 3HG2 THR 25 2.794 6.644 6.697
177 H GLN 26 H GLN 26 3.698 3.347 8.799
178 HA GLN 26 HA GLN 26 3.790 1.326 6.762
179 1HB GLN 26 1HB GLN 26 2.802 1.408 9.632
180 2HB GLN 26 2HB GLN 26 2.448 0.040 8.596
181 1HG GLN 26 1HG GLN 26 4.772 -0.499 8.315
182 2HG GLN 26 2HG GLN 26 5.294 1.066 8.909
183 1HE2 GLN 26 1HE2 GLN 26 5.532 1.433 11.039
184 2HE2 GLN 26 2HE2 GLN 26 5.308 0.253 12.287
185 H VAL 27 H VAL 27 2.219 1.062 5.236
186 HA VAL 27 HA VAL 27 -0.477 1.982 5.925
187 HB VAL 27 HB VAL 27 -0.730 2.970 3.748
188 1HG1 VAL 27 1HG1 VAL 27 1.678 4.440 4.165
189 2HG1 VAL 27 2HG1 VAL 27 0.020 4.862 4.656
190 3HG1 VAL 27 3HG1 VAL 27 1.066 3.934 5.759
191 1HG2 VAL 27 1HG2 VAL 27 0.685 1.516 2.419
192 2HG2 VAL 27 2HG2 VAL 27 1.200 3.205 2.197
193 3HG2 VAL 27 3HG2 VAL 27 2.142 2.118 3.246
194 H LYS 28 H LYS 28 -2.189 0.843 4.778
195 HA LYS 28 HA LYS 28 -1.282 -1.819 3.974
196 1HB LYS 28 1HB LYS 28 -3.679 -0.742 5.363
197 2HB LYS 28 2HB LYS 28 -3.957 -2.077 4.262
198 1HG LYS 28 1HG LYS 28 -1.860 -3.164 5.474
199 2HG LYS 28 2HG LYS 28 -2.212 -2.002 6.739
200 1HD LYS 28 1HD LYS 28 -4.643 -2.872 6.687
201 2HD LYS 28 2HD LYS 28 -4.066 -4.170 5.661
202 1HE LYS 28 1HE LYS 28 -2.373 -4.769 7.456
203 2HE LYS 28 2HE LYS 28 -3.087 -3.544 8.487
204 1HZ LYS 28 1HZ LYS 28 -5.254 -4.774 8.169
205 2HZ LYS 28 2HZ LYS 28 -4.424 -5.982 7.460
206 H VAL 29 H VAL 29 -1.598 -2.598 1.922
207 HA VAL 29 HA VAL 29 -3.252 -0.959 0.145
208 HB VAL 29 HB VAL 29 -1.541 -1.210 -1.606
209 1HG1 VAL 29 1HG1 VAL 29 -1.324 0.438 0.794
210 2HG1 VAL 29 2HG1 VAL 29 0.249 0.201 -0.004
211 3HG1 VAL 29 3HG1 VAL 29 -1.120 0.879 -0.918
212 1HG2 VAL 29 1HG2 VAL 29 0.231 -2.552 -1.403
213 2HG2 VAL 29 2HG2 VAL 29 0.741 -1.734 0.094
214 3HG2 VAL 29 3HG2 VAL 29 -0.412 -3.087 0.169
215 H ARG 30 H ARG 30 -4.198 -2.144 -1.628
216 HA ARG 30 HA ARG 30 -4.168 -5.002 -1.082
217 1HB ARG 30 1HB ARG 30 -6.447 -5.050 -2.090
218 2HB ARG 30 2HB ARG 30 -6.381 -3.935 -0.740
219 1HG ARG 30 1HG ARG 30 -6.283 -2.010 -2.198
220 2HG ARG 30 2HG ARG 30 -5.937 -2.998 -3.604
221 1HD ARG 30 1HD ARG 30 -8.155 -3.258 -4.017
222 2HD ARG 30 2HD ARG 30 -8.405 -3.947 -2.425
223 HE ARG 30 HE ARG 30 -8.130 -1.040 -2.347
224 1HH1 ARG 30 1HH1 ARG 30 -10.425 -3.685 -2.888
225 2HH1 ARG 30 2HH1 ARG 30 -11.811 -2.731 -2.476
226 1HH2 ARG 30 1HH2 ARG 30 -11.513 -0.440 -1.841
227 H ILE 31 H ILE 31 -4.213 -6.478 -2.958
228 HA ILE 31 HA ILE 31 -2.571 -5.557 -5.069
229 HB ILE 31 HB ILE 31 -3.989 -8.122 -4.426
230 1HG1 ILE 31 1HG1 ILE 31 -1.097 -7.238 -4.533
231 2HG1 ILE 31 2HG1 ILE 31 -2.023 -7.711 -3.122
232 1HG2 ILE 31 1HG2 ILE 31 -4.080 -7.808 -6.881
233 2HG2 ILE 31 2HG2 ILE 31 -2.308 -7.633 -6.899
234 3HG2 ILE 31 3HG2 ILE 31 -3.046 -9.170 -6.387
235 1HD1 ILE 31 1HD1 ILE 31 -0.751 -9.413 -5.214
236 2HD1 ILE 31 2HD1 ILE 31 -1.024 -9.747 -3.488
237 3HD1 ILE 31 3HD1 ILE 31 -2.352 -9.953 -4.655
238 H LEU 32 H LEU 32 -3.115 -4.575 -6.943
239 HA LEU 32 HA LEU 32 -5.813 -3.916 -7.435
240 1HB LEU 32 1HB LEU 32 -3.204 -3.528 -8.850
241 2HB LEU 32 2HB LEU 32 -4.702 -3.195 -9.698
242 HG LEU 32 HG LEU 32 -4.826 -1.921 -7.133
243 1HD1 LEU 32 1HD1 LEU 32 -2.229 -2.192 -7.567
244 2HD1 LEU 32 2HD1 LEU 32 -2.501 -0.790 -8.630
245 3HD1 LEU 32 3HD1 LEU 32 -2.916 -0.691 -6.901
246 1HD2 LEU 32 1HD2 LEU 32 -5.697 -0.240 -8.344
247 2HD2 LEU 32 2HD2 LEU 32 -4.372 -0.262 -9.533
248 3HD2 LEU 32 3HD2 LEU 32 -5.701 -1.439 -9.660
249 H GLU 33 H GLU 33 -3.526 -6.347 -8.790
250 HA GLU 33 HA GLU 33 -5.720 -7.966 -9.520
251 1HB GLU 33 1HB GLU 33 -4.932 -6.092 -11.470
252 2HB GLU 33 2HB GLU 33 -4.163 -7.583 -11.976
253 1HG GLU 33 1HG GLU 33 -6.681 -8.494 -11.274
254 2HG GLU 33 2HG GLU 33 -7.057 -6.888 -11.865
255 HE2 GLU 33 HE2 GLU 33 -7.267 -9.675 -12.974
256 H GLY 34 H GLY 34 -4.835 -10.029 -10.739
257 1HA GLY 34 1HA GLY 34 -2.407 -10.915 -11.127
258 2HA GLY 34 2HA GLY 34 -2.340 -10.759 -9.383
259 H ARG 35 H ARG 35 -3.099 -12.428 -8.126
260 HA ARG 35 HA ARG 35 -4.685 -14.411 -9.550
261 1HB ARG 35 1HB ARG 35 -2.226 -14.671 -8.100
262 2HB ARG 35 2HB ARG 35 -3.451 -15.455 -7.122
263 1HG ARG 35 1HG ARG 35 -2.711 -17.183 -8.567
264 2HG ARG 35 2HG ARG 35 -4.204 -16.644 -9.310
265 1HD ARG 35 1HD ARG 35 -1.820 -15.125 -10.222
266 2HD ARG 35 2HD ARG 35 -1.744 -16.833 -10.604
267 HE ARG 35 HE ARG 35 -3.626 -14.874 -11.714
268 1HH1 ARG 35 1HH1 ARG 35 -3.016 -18.321 -11.159
269 2HH1 ARG 35 2HH1 ARG 35 -4.076 -18.839 -12.426
270 1HH2 ARG 35 1HH2 ARG 35 -5.246 -17.198 -13.723
271 H ASP 36 H ASP 36 -4.248 -12.420 -6.630
272 HA ASP 36 HA ASP 36 -6.634 -13.612 -5.487
273 1HB ASP 36 1HB ASP 36 -4.500 -11.743 -4.370
274 2HB ASP 36 2HB ASP 36 -5.966 -12.120 -3.487
275 HD2 ASP 36 HD2 ASP 36 -2.848 -13.091 -3.915
276 H LYS 37 H LYS 37 -5.188 -10.656 -6.872
277 HA LYS 37 HA LYS 37 -5.963 -8.567 -7.109
278 1HB LYS 37 1HB LYS 37 -6.832 -9.561 -9.070
279 2HB LYS 37 2HB LYS 37 -8.137 -10.350 -8.208
280 1HG LYS 37 1HG LYS 37 -8.934 -7.950 -7.570
281 2HG LYS 37 2HG LYS 37 -7.823 -7.381 -8.800
282 1HD LYS 37 1HD LYS 37 -8.984 -8.592 -10.548
283 2HD LYS 37 2HD LYS 37 -9.921 -9.512 -9.387
284 1HE LYS 37 1HE LYS 37 -11.180 -7.541 -8.710
285 2HE LYS 37 2HE LYS 37 -10.106 -6.473 -9.591
286 1HZ LYS 37 1HZ LYS 37 -11.711 -6.717 -11.173
287 2HZ LYS 37 2HZ LYS 37 -10.909 -8.079 -11.565
288 H GLY 38 H GLY 38 -6.019 -7.763 -4.972
289 1HA GLY 38 1HA GLY 38 -7.746 -6.384 -3.837
290 2HA GLY 38 2HA GLY 38 -8.692 -7.854 -3.706
291 H ARG 39 H ARG 39 -5.719 -9.143 -3.447
292 HA ARG 39 HA ARG 39 -5.888 -9.728 -0.823
293 1HB ARG 39 1HB ARG 39 -4.373 -10.833 -2.504
294 2HB ARG 39 2HB ARG 39 -3.317 -9.435 -2.458
295 1HG ARG 39 1HG ARG 39 -2.215 -10.598 -0.823
296 2HG ARG 39 2HG ARG 39 -3.482 -9.992 0.225
297 1HD ARG 39 1HD ARG 39 -4.783 -12.173 -0.705
298 2HD ARG 39 2HD ARG 39 -3.146 -12.746 -0.952
299 HE ARG 39 HE ARG 39 -4.484 -12.459 1.590
300 1HH1 ARG 39 1HH1 ARG 39 -1.291 -12.133 0.089
301 2HH1 ARG 39 2HH1 ARG 39 -0.430 -12.437 1.561
302 1HH2 ARG 39 1HH2 ARG 39 -1.661 -12.862 3.573
303 H VAL 40 H VAL 40 -5.909 -8.343 0.925
304 HA VAL 40 HA VAL 40 -4.587 -5.793 0.721
305 HB VAL 40 HB VAL 40 -5.594 -5.425 2.938
306 1HG1 VAL 40 1HG1 VAL 40 -7.989 -5.583 2.194
307 2HG1 VAL 40 2HG1 VAL 40 -6.899 -4.812 1.016
308 3HG1 VAL 40 3HG1 VAL 40 -7.430 -6.493 0.771
309 1HG2 VAL 40 1HG2 VAL 40 -6.867 -8.161 2.649
310 2HG2 VAL 40 2HG2 VAL 40 -5.427 -7.851 3.649
311 3HG2 VAL 40 3HG2 VAL 40 -6.965 -7.042 4.030
312 H ILE 41 H ILE 41 -2.739 -5.132 1.826
313 HA ILE 41 HA ILE 41 -1.516 -7.027 3.652
314 HB ILE 41 HB ILE 41 0.641 -6.905 2.458
315 1HG1 ILE 41 1HG1 ILE 41 -0.869 -5.926 0.035
316 2HG1 ILE 41 2HG1 ILE 41 -0.097 -4.806 1.139
317 1HG2 ILE 41 1HG2 ILE 41 -1.047 -8.798 2.261
318 2HG2 ILE 41 2HG2 ILE 41 -1.476 -8.115 0.675
319 3HG2 ILE 41 3HG2 ILE 41 0.184 -8.681 0.980
320 1HD1 ILE 41 1HD1 ILE 41 1.124 -6.289 -0.969
321 2HD1 ILE 41 2HD1 ILE 41 1.924 -5.222 0.211
322 3HD1 ILE 41 3HD1 ILE 41 1.755 -6.960 0.554
323 H ARG 42 H ARG 42 0.659 -5.920 4.493
324 HA ARG 42 HA ARG 42 0.017 -3.095 4.791
325 1HB ARG 42 1HB ARG 42 -0.463 -4.278 6.895
326 2HB ARG 42 2HB ARG 42 1.104 -5.061 6.866
327 1HG ARG 42 1HG ARG 42 1.708 -2.309 6.664
328 2HG ARG 42 2HG ARG 42 0.385 -2.371 7.813
329 1HD ARG 42 1HD ARG 42 2.064 -4.525 8.563
330 2HD ARG 42 2HD ARG 42 3.174 -3.235 8.149
331 HE ARG 42 HE ARG 42 1.392 -1.879 9.693
332 1HH1 ARG 42 1HH1 ARG 42 2.985 -5.000 10.222
333 2HH1 ARG 42 2HH1 ARG 42 2.964 -4.858 11.948
334 1HH2 ARG 42 1HH2 ARG 42 2.006 -2.905 12.954
335 H ARG 43 H ARG 43 1.548 -2.116 3.456
336 HA ARG 43 HA ARG 43 4.235 -3.179 3.575
337 1HB ARG 43 1HB ARG 43 2.600 -2.041 1.494
338 2HB ARG 43 2HB ARG 43 3.962 -0.961 1.721
339 1HG ARG 43 1HG ARG 43 5.108 -3.542 1.814
340 2HG ARG 43 2HG ARG 43 3.901 -3.656 0.547
341 1HD ARG 43 1HD ARG 43 4.861 -1.612 -0.546
342 2HD ARG 43 2HD ARG 43 6.069 -1.505 0.718
343 HE ARG 43 HE ARG 43 6.130 -3.289 -1.554
344 1HH1 ARG 43 1HH1 ARG 43 7.039 -3.112 1.867
345 2HH1 ARG 43 2HH1 ARG 43 8.314 -4.275 1.716
346 1HH2 ARG 43 1HH2 ARG 43 8.752 -5.267 -0.421
347 H ASN 44 H ASN 44 6.027 -1.888 4.244
348 HA ASN 44 HA ASN 44 5.216 0.550 5.602
349 1HB ASN 44 1HB ASN 44 7.444 0.251 6.821
350 2HB ASN 44 2HB ASN 44 6.286 -1.031 7.110
351 1HD2 ASN 44 1HD2 ASN 44 6.585 -3.060 6.252
352 2HD2 ASN 44 2HD2 ASN 44 8.083 -3.605 5.574
353 H VAL 45 H VAL 45 5.709 2.405 4.420
354 HA VAL 45 HA VAL 45 8.167 2.328 2.808
355 HB VAL 45 HB VAL 45 6.999 3.968 1.332
356 1HG1 VAL 45 1HG1 VAL 45 7.201 1.670 0.624
357 2HG1 VAL 45 2HG1 VAL 45 5.800 1.193 1.614
358 3HG1 VAL 45 3HG1 VAL 45 5.573 2.251 0.201
359 1HG2 VAL 45 1HG2 VAL 45 5.065 3.937 3.401
360 2HG2 VAL 45 2HG2 VAL 45 5.010 4.828 1.862
361 3HG2 VAL 45 3HG2 VAL 45 4.296 3.203 1.974
362 H ARG 46 H ARG 46 8.695 4.867 2.266
363 HA ARG 46 HA ARG 46 8.838 6.039 4.917
364 1HB ARG 46 1HB ARG 46 10.518 6.731 2.457
365 2HB ARG 46 2HB ARG 46 10.824 7.245 4.104
366 1HG ARG 46 1HG ARG 46 11.375 5.003 4.814
367 2HG ARG 46 2HG ARG 46 10.715 4.296 3.353
368 1HD ARG 46 1HD ARG 46 12.694 6.190 2.508
369 2HD ARG 46 2HD ARG 46 13.405 5.290 3.833
370 HE ARG 46 HE ARG 46 12.148 3.378 2.179
371 1HH1 ARG 46 1HH1 ARG 46 14.776 5.736 1.882
372 2HH1 ARG 46 2HH1 ARG 46 15.632 4.817 0.688
373 1HH2 ARG 46 1HH2 ARG 46 14.732 2.721 -0.049
374 H GLY 47 H GLY 47 8.071 8.162 5.290
375 1HA GLY 47 1HA GLY 47 7.264 10.238 4.758
376 2HA GLY 47 2HA GLY 47 7.320 9.844 3.050
377 HA PRO 48 HA PRO 48 3.006 9.413 4.679
378 1HB PRO 48 1HB PRO 48 1.881 11.746 3.808
379 2HB PRO 48 2HB PRO 48 2.462 11.515 5.445
380 1HG PRO 48 1HG PRO 48 3.695 13.051 3.241
381 2HG PRO 48 2HG PRO 48 4.015 13.149 4.961
382 1HD PRO 48 1HD PRO 48 5.643 11.860 2.983
383 2HD PRO 48 2HD PRO 48 5.903 11.858 4.715
384 H VAL 49 H VAL 49 0.858 9.432 3.407
385 HA VAL 49 HA VAL 49 1.388 9.315 0.561
386 HB VAL 49 HB VAL 49 1.868 7.055 1.831
387 1HG1 VAL 49 1HG1 VAL 49 -0.992 6.461 1.217
388 2HG1 VAL 49 2HG1 VAL 49 0.102 5.727 2.414
389 3HG1 VAL 49 3HG1 VAL 49 -0.635 7.313 2.739
390 1HG2 VAL 49 1HG2 VAL 49 1.995 6.281 -0.260
391 2HG2 VAL 49 2HG2 VAL 49 0.226 6.349 -0.458
392 3HG2 VAL 49 3HG2 VAL 49 1.215 7.789 -0.797
393 H ARG 50 H ARG 50 -1.041 8.076 -0.190
394 HA ARG 50 HA ARG 50 -3.124 9.305 1.300
395 1HB ARG 50 1HB ARG 50 -2.379 11.244 -0.043
396 2HB ARG 50 2HB ARG 50 -2.447 10.296 -1.514
397 1HG ARG 50 1HG ARG 50 -4.645 10.785 -1.767
398 2HG ARG 50 2HG ARG 50 -5.010 10.068 -0.210
399 1HD ARG 50 1HD ARG 50 -5.515 12.151 0.545
400 2HD ARG 50 2HD ARG 50 -3.810 12.539 0.447
401 HE ARG 50 HE ARG 50 -4.227 13.795 -1.487
402 1HH1 ARG 50 1HH1 ARG 50 -7.004 11.679 -0.876
403 2HH1 ARG 50 2HH1 ARG 50 -7.980 12.398 -2.113
404 1HH2 ARG 50 1HH2 ARG 50 -7.085 14.197 -3.419
405 H VAL 51 H VAL 51 -5.168 8.335 0.803
406 HA VAL 51 HA VAL 51 -5.155 5.809 -0.245
407 HB VAL 51 HB VAL 51 -7.344 7.860 0.073
408 1HG1 VAL 51 1HG1 VAL 51 -8.327 6.481 -1.523
409 2HG1 VAL 51 2HG1 VAL 51 -7.490 5.025 -0.933
410 3HG1 VAL 51 3HG1 VAL 51 -8.835 5.720 0.004
411 1HG2 VAL 51 1HG2 VAL 51 -7.723 6.964 2.154
412 2HG2 VAL 51 2HG2 VAL 51 -7.094 5.361 1.704
413 3HG2 VAL 51 3HG2 VAL 51 -5.968 6.703 2.022
414 H GLY 52 H GLY 52 -4.769 5.053 -2.255
415 1HA GLY 52 1HA GLY 52 -5.848 5.171 -4.526
416 2HA GLY 52 2HA GLY 52 -5.366 6.856 -4.521
417 H ASP 53 H ASP 53 -2.810 6.429 -3.074
418 HA ASP 53 HA ASP 53 -1.073 6.319 -5.048
419 1HB ASP 53 1HB ASP 53 -0.823 6.451 -2.382
420 2HB ASP 53 2HB ASP 53 -0.364 4.768 -2.552
421 HD2 ASP 53 HD2 ASP 53 1.977 5.785 -4.998
422 H ILE 54 H ILE 54 0.337 4.623 -6.010
423 HA ILE 54 HA ILE 54 -0.611 1.889 -5.596
424 HB ILE 54 HB ILE 54 -0.465 3.391 -8.196
425 1HG1 ILE 54 1HG1 ILE 54 -2.659 1.505 -7.673
426 2HG1 ILE 54 2HG1 ILE 54 -2.568 2.808 -6.505
427 1HG2 ILE 54 1HG2 ILE 54 -0.647 1.295 -9.402
428 2HG2 ILE 54 2HG2 ILE 54 0.853 1.322 -8.442
429 3HG2 ILE 54 3HG2 ILE 54 -0.548 0.378 -7.880
430 1HD1 ILE 54 1HD1 ILE 54 -2.657 4.498 -8.258
431 2HD1 ILE 54 2HD1 ILE 54 -2.497 3.255 -9.522
432 3HD1 ILE 54 3HD1 ILE 54 -3.980 3.339 -8.539
433 H LEU 55 H LEU 55 0.995 0.273 -5.913
434 HA LEU 55 HA LEU 55 3.596 1.055 -6.815
435 1HB LEU 55 1HB LEU 55 3.781 1.979 -4.632
436 2HB LEU 55 2HB LEU 55 3.082 0.553 -3.887
437 HG LEU 55 HG LEU 55 5.404 -0.263 -5.348
438 1HD1 LEU 55 1HD1 LEU 55 5.944 2.227 -5.066
439 2HD1 LEU 55 2HD1 LEU 55 6.111 1.864 -3.330
440 3HD1 LEU 55 3HD1 LEU 55 7.157 1.046 -4.516
441 1HD2 LEU 55 1HD2 LEU 55 4.135 -0.967 -3.062
442 2HD2 LEU 55 2HD2 LEU 55 5.785 -1.479 -3.492
443 3HD2 LEU 55 3HD2 LEU 55 5.538 -0.095 -2.400
444 H ILE 56 H ILE 56 4.873 -0.763 -7.360
445 HA ILE 56 HA ILE 56 3.376 -3.279 -7.186
446 HB ILE 56 HB ILE 56 5.535 -2.506 -9.149
447 1HG1 ILE 56 1HG1 ILE 56 2.603 -1.984 -9.143
448 2HG1 ILE 56 2HG1 ILE 56 3.915 -1.046 -9.829
449 1HG2 ILE 56 1HG2 ILE 56 5.119 -4.957 -8.651
450 2HG2 ILE 56 2HG2 ILE 56 3.502 -4.732 -9.360
451 3HG2 ILE 56 3HG2 ILE 56 4.954 -4.456 -10.351
452 1HD1 ILE 56 1HD1 ILE 56 2.572 -2.037 -11.633
453 2HD1 ILE 56 2HD1 ILE 56 4.193 -2.771 -11.630
454 3HD1 ILE 56 3HD1 ILE 56 2.811 -3.663 -10.950
455 H LEU 57 H LEU 57 4.584 -5.258 -6.752
456 HA LEU 57 HA LEU 57 7.230 -4.839 -5.613
457 1HB LEU 57 1HB LEU 57 6.508 -6.221 -3.617
458 2HB LEU 57 2HB LEU 57 6.029 -4.536 -3.660
459 HG LEU 57 HG LEU 57 4.308 -6.242 -2.857
460 1HD1 LEU 57 1HD1 LEU 57 2.478 -4.975 -3.696
461 2HD1 LEU 57 2HD1 LEU 57 3.858 -3.861 -3.535
462 3HD1 LEU 57 3HD1 LEU 57 3.395 -4.478 -5.139
463 1HD2 LEU 57 1HD2 LEU 57 3.172 -7.622 -4.336
464 2HD2 LEU 57 2HD2 LEU 57 3.739 -6.731 -5.769
465 3HD2 LEU 57 3HD2 LEU 57 4.864 -7.778 -4.869
466 H ARG 58 H ARG 58 8.488 -6.812 -5.490
467 HA ARG 58 HA ARG 58 7.273 -8.936 -7.069
468 1HB ARG 58 1HB ARG 58 9.066 -7.590 -8.287
469 2HB ARG 58 2HB ARG 58 10.222 -8.121 -7.083
470 1HG ARG 58 1HG ARG 58 8.563 -10.081 -8.729
471 2HG ARG 58 2HG ARG 58 10.123 -9.492 -9.266
472 1HD ARG 58 1HD ARG 58 10.663 -10.275 -6.641
473 2HD ARG 58 2HD ARG 58 9.487 -11.471 -7.149
474 HE ARG 58 HE ARG 58 11.438 -11.120 -9.233
475 1HH1 ARG 58 1HH1 ARG 58 11.104 -12.541 -6.004
476 2HH1 ARG 58 2HH1 ARG 58 12.337 -13.729 -6.265
477 1HH2 ARG 58 1HH2 ARG 58 13.476 -13.797 -8.372
478 H GLU 59 H GLU 59 10.265 -8.320 -5.073
479 HA GLU 59 HA GLU 59 10.783 -10.785 -4.252
480 1HB GLU 59 1HB GLU 59 11.628 -8.267 -3.533
481 2HB GLU 59 2HB GLU 59 10.883 -8.795 -2.038
482 1HG GLU 59 1HG GLU 59 12.916 -9.784 -1.655
483 2HG GLU 59 2HG GLU 59 12.279 -11.061 -2.671
484 HE2 GLU 59 HE2 GLU 59 15.192 -10.861 -3.771
485 H THR 60 H THR 60 8.334 -8.569 -2.765
486 HA THR 60 HA THR 60 6.766 -8.944 -1.208
487 HB THR 60 HB THR 60 5.225 -10.795 -1.882
488 HG1 THR 60 HG1 THR 60 7.261 -11.449 -3.847
489 1HG2 THR 60 1HG2 THR 60 5.719 -10.384 -4.589
490 2HG2 THR 60 2HG2 THR 60 4.736 -9.305 -3.571
491 3HG2 THR 60 3HG2 THR 60 6.454 -8.939 -3.856
492 H GLU 61 H GLU 61 9.398 -9.640 -0.315
493 HA GLU 61 HA GLU 61 9.683 -12.086 0.771
494 1HB GLU 61 1HB GLU 61 10.416 -9.420 2.060
495 2HB GLU 61 2HB GLU 61 11.095 -10.971 2.508
496 1HG GLU 61 1HG GLU 61 11.761 -11.196 -0.011
497 2HG GLU 61 2HG GLU 61 11.414 -9.482 -0.126
498 HE2 GLU 61 HE2 GLU 61 12.628 -8.232 1.748
499 H ARG 62 H ARG 62 9.593 -12.595 3.279
500 HA ARG 62 HA ARG 62 7.206 -11.458 4.434
501 1HB ARG 62 1HB ARG 62 6.741 -13.679 3.100
502 2HB ARG 62 2HB ARG 62 7.578 -14.481 4.413
503 1HG ARG 62 1HG ARG 62 5.553 -12.539 5.361
504 2HG ARG 62 2HG ARG 62 4.863 -13.811 4.374
505 1HD ARG 62 1HD ARG 62 6.461 -15.355 5.926
506 2HD ARG 62 2HD ARG 62 6.255 -14.015 7.036
507 HE ARG 62 HE ARG 62 4.044 -14.687 7.376
508 1HH1 ARG 62 1HH1 ARG 62 5.174 -16.073 4.317
509 2HH1 ARG 62 2HH1 ARG 62 3.739 -17.008 4.068
510 1HH2 ARG 62 1HH2 ARG 62 1.973 -16.904 5.685
511 H GLU 63 H GLU 63 7.336 -11.326 6.711
512 HA GLU 63 HA GLU 63 9.047 -13.004 8.173
513 1HB GLU 63 1HB GLU 63 10.583 -11.204 6.984
514 2HB GLU 63 2HB GLU 63 9.976 -10.126 8.225
515 1HG GLU 63 1HG GLU 63 10.726 -12.642 9.462
516 2HG GLU 63 2HG GLU 63 12.054 -12.091 8.459
517 HE2 GLU 63 HE2 GLU 63 12.903 -10.771 11.349
518 H ALA 64 H ALA 64 7.579 -13.335 9.800
519 HA ALA 64 HA ALA 64 7.000 -11.240 11.591
520 1HB ALA 64 1HB ALA 64 5.314 -10.351 10.304
521 2HB ALA 64 2HB ALA 64 5.000 -11.886 9.460
522 3HB ALA 64 3HB ALA 64 4.389 -11.639 11.112
523 H ARG 65 H ARG 65 7.589 -12.552 13.285
524 HA ARG 65 HA ARG 65 6.997 -15.270 13.318
525 1HB ARG 65 1HB ARG 65 8.858 -14.185 14.612
526 2HB ARG 65 2HB ARG 65 7.679 -13.397 15.642
527 1HG ARG 65 1HG ARG 65 7.527 -15.243 16.949
528 2HG ARG 65 2HG ARG 65 7.051 -16.218 15.571
529 1HD ARG 65 1HD ARG 65 9.134 -17.142 15.363
530 2HD ARG 65 2HD ARG 65 9.936 -15.593 15.531
531 HE ARG 65 HE ARG 65 9.561 -17.542 17.618
532 1HH1 ARG 65 1HH1 ARG 65 9.574 -14.036 17.100
533 2HH1 ARG 65 2HH1 ARG 65 10.031 -13.673 18.731
534 1HH2 ARG 65 1HH2 ARG 65 10.373 -15.466 20.282
535 H GLU 66 H GLU 66 5.596 -12.427 15.104
536 HA GLU 66 HA GLU 66 3.582 -12.055 15.852
537 1HB GLU 66 1HB GLU 66 3.077 -14.118 13.901
538 2HB GLU 66 2HB GLU 66 2.062 -14.433 15.294
539 1HG GLU 66 1HG GLU 66 1.303 -12.013 15.227
540 2HG GLU 66 2HG GLU 66 2.236 -11.798 13.758
541 HE2 GLU 66 HE2 GLU 66 -0.765 -11.799 14.030
542 H ILE 67 H ILE 67 4.989 -12.455 17.865
543 HA ILE 67 HA ILE 67 4.261 -14.917 19.244
544 HB ILE 67 HB ILE 67 6.634 -13.736 19.011
545 1HG1 ILE 67 1HG1 ILE 67 7.260 -14.920 21.159
546 2HG1 ILE 67 2HG1 ILE 67 5.556 -15.249 21.403
547 1HG2 ILE 67 1HG2 ILE 67 7.192 -12.512 21.075
548 2HG2 ILE 67 2HG2 ILE 67 5.996 -11.651 20.077
549 3HG2 ILE 67 3HG2 ILE 67 5.473 -12.526 21.535
550 1HD1 ILE 67 1HD1 ILE 67 6.364 -15.931 18.671
551 2HD1 ILE 67 2HD1 ILE 67 7.356 -16.784 19.877
552 3HD1 ILE 67 3HD1 ILE 67 5.584 -16.950 19.904
553 H LYS 68 H LYS 68 3.634 -14.700 21.614
554 HA LYS 68 HA LYS 68 2.559 -12.274 22.537
555 1HB LYS 68 1HB LYS 68 0.246 -12.527 22.246
556 2HB LYS 68 2HB LYS 68 0.932 -12.863 20.668
557 1HG LYS 68 1HG LYS 68 0.899 -15.356 22.078
558 2HG LYS 68 2HG LYS 68 -0.658 -14.605 22.369
559 1HD LYS 68 1HD LYS 68 -1.070 -14.359 19.970
560 2HD LYS 68 2HD LYS 68 0.565 -14.860 19.583
561 1HE LYS 68 1HE LYS 68 -0.093 -17.030 19.549
562 2HE LYS 68 2HE LYS 68 -0.578 -16.924 21.231
563 1HZ LYS 68 1HZ LYS 68 -2.241 -16.939 18.913
564 2HZ LYS 68 2HZ LYS 68 -2.670 -17.145 20.471
565 H SER 69 H SER 69 4.367 -14.311 23.430
566 HA SER 69 HA SER 69 2.793 -15.784 25.356
567 1HB SER 69 1HB SER 69 4.959 -16.531 23.860
568 2HB SER 69 2HB SER 69 5.772 -16.024 25.328
569 HG SER 69 HG SER 69 3.531 -17.577 25.878
570 H ARG 70 H ARG 70 2.230 -14.429 27.062
571 HA ARG 70 HA ARG 70 4.395 -13.511 28.660
572 1HB ARG 70 1HB ARG 70 3.489 -11.670 26.823
573 2HB ARG 70 2HB ARG 70 2.405 -11.329 28.157
574 1HG ARG 70 1HG ARG 70 4.046 -10.210 29.244
575 2HG ARG 70 2HG ARG 70 5.048 -11.647 29.258
576 1HD ARG 70 1HD ARG 70 5.053 -10.492 26.581
577 2HD ARG 70 2HD ARG 70 5.463 -9.253 27.751
578 HE ARG 70 HE ARG 70 7.036 -11.660 27.116
579 1HH1 ARG 70 1HH1 ARG 70 6.524 -9.023 29.428
580 2HH1 ARG 70 2HH1 ARG 70 8.109 -9.151 30.113
581 1HH2 ARG 70 1HH2 ARG 70 9.624 -10.807 29.271
582 H ARG 71 H ARG 71 3.324 -12.251 30.700
583 HA ARG 71 HA ARG 71 0.629 -12.932 31.182
584 1HB ARG 71 1HB ARG 71 1.035 -14.471 33.097
585 2HB ARG 71 2HB ARG 71 1.648 -15.155 31.605
586 1HG ARG 71 1HG ARG 71 3.947 -14.383 32.175
587 2HG ARG 71 2HG ARG 71 3.348 -13.645 33.648
588 1HD ARG 71 1HD ARG 71 2.514 -15.952 34.371
589 2HD ARG 71 2HD ARG 71 3.323 -16.624 32.969
590 HE ARG 71 HE ARG 71 5.217 -15.016 34.365
591 1HH1 ARG 71 1HH1 ARG 71 3.405 -18.022 34.846
592 2HH1 ARG 71 2HH1 ARG 71 4.599 -18.720 35.890
593 1HH2 ARG 71 1HH2 ARG 71 6.581 -17.475 36.403
Start of MODEL 9
1 1H MET 1 1H MET 1 8.715 -7.784 -22.938
2 HA MET 1 HA MET 1 7.574 -7.172 -25.345
3 1HB MET 1 1HB MET 1 8.961 -9.606 -25.556
4 2HB MET 1 2HB MET 1 7.329 -10.138 -25.201
5 1HG MET 1 1HG MET 1 6.427 -9.114 -27.155
6 2HG MET 1 2HG MET 1 7.792 -8.028 -27.334
7 1HE MET 1 1HE MET 1 8.977 -9.718 -30.358
8 2HE MET 1 2HE MET 1 7.232 -9.465 -30.115
9 3HE MET 1 3HE MET 1 8.399 -8.272 -29.495
10 H ALA 2 H ALA 2 7.089 -6.792 -22.559
11 HA ALA 2 HA ALA 2 4.421 -7.943 -22.414
12 1HB ALA 2 1HB ALA 2 5.116 -8.209 -19.819
13 2HB ALA 2 2HB ALA 2 5.289 -9.528 -21.002
14 3HB ALA 2 3HB ALA 2 6.698 -8.529 -20.571
15 H GLU 3 H GLU 3 6.007 -6.487 -19.619
16 HA GLU 3 HA GLU 3 5.468 -3.830 -20.316
17 1HB GLU 3 1HB GLU 3 3.124 -5.032 -19.795
18 2HB GLU 3 2HB GLU 3 3.595 -4.725 -18.135
19 1HG GLU 3 1HG GLU 3 2.889 -2.776 -20.304
20 2HG GLU 3 2HG GLU 3 2.504 -2.725 -18.595
21 HE2 GLU 3 HE2 GLU 3 4.632 -1.086 -20.720
22 H ASP 4 H ASP 4 4.612 -3.458 -17.283
23 HA ASP 4 HA ASP 4 7.017 -4.356 -16.005
24 1HB ASP 4 1HB ASP 4 6.694 -1.645 -17.011
25 2HB ASP 4 2HB ASP 4 6.749 -1.600 -15.260
26 HD2 ASP 4 HD2 ASP 4 8.739 -3.266 -14.579
27 H GLU 5 H GLU 5 3.917 -4.532 -15.960
28 HA GLU 5 HA GLU 5 3.539 -3.507 -13.256
29 1HB GLU 5 1HB GLU 5 1.065 -4.306 -14.576
30 2HB GLU 5 2HB GLU 5 1.499 -2.757 -13.881
31 1HG GLU 5 1HG GLU 5 2.932 -2.394 -16.032
32 2HG GLU 5 2HG GLU 5 2.057 -3.757 -16.701
33 HE2 GLU 5 HE2 GLU 5 -0.534 -2.203 -17.610
34 H GLY 6 H GLY 6 4.136 -5.205 -11.923
35 1HA GLY 6 1HA GLY 6 3.415 -7.929 -12.641
36 2HA GLY 6 2HA GLY 6 4.377 -7.396 -11.276
37 H TYR 7 H TYR 7 3.280 -6.441 -9.374
38 HA TYR 7 HA TYR 7 0.430 -7.157 -9.262
39 1HB TYR 7 1HB TYR 7 2.824 -7.688 -7.418
40 2HB TYR 7 2HB TYR 7 1.200 -7.685 -6.759
41 HD1 TYR 7 HD1 TYR 7 3.126 -9.239 -9.585
42 HD2 TYR 7 HD2 TYR 7 0.062 -9.706 -6.635
43 HE1 TYR 7 HE1 TYR 7 2.842 -11.674 -10.255
44 HE2 TYR 7 HE2 TYR 7 -0.213 -12.140 -7.317
45 HH TYR 7 HH TYR 7 0.829 -13.834 -8.393
46 HA PRO 8 HA PRO 8 0.762 -2.910 -7.933
47 1HB PRO 8 1HB PRO 8 -1.616 -2.069 -8.983
48 2HB PRO 8 2HB PRO 8 -0.101 -1.988 -9.859
49 1HG PRO 8 1HG PRO 8 -2.345 -3.879 -10.210
50 2HG PRO 8 2HG PRO 8 -1.039 -3.508 -11.317
51 1HD PRO 8 1HD PRO 8 -1.282 -5.845 -9.672
52 2HD PRO 8 2HD PRO 8 0.078 -5.418 -10.692
53 H ALA 9 H ALA 9 -0.031 -1.768 -6.169
54 HA ALA 9 HA ALA 9 -2.300 -3.110 -4.885
55 1HB ALA 9 1HB ALA 9 -1.150 -3.046 -2.748
56 2HB ALA 9 2HB ALA 9 -0.116 -3.895 -3.922
57 3HB ALA 9 3HB ALA 9 0.243 -2.210 -3.474
58 H GLU 10 H GLU 10 -3.889 -1.677 -4.401
59 HA GLU 10 HA GLU 10 -3.147 1.125 -4.511
60 1HB GLU 10 1HB GLU 10 -4.983 0.216 -6.006
61 2HB GLU 10 2HB GLU 10 -5.930 -0.118 -4.570
62 1HG GLU 10 1HG GLU 10 -5.532 2.408 -3.974
63 2HG GLU 10 2HG GLU 10 -5.050 2.584 -5.650
64 HE2 GLU 10 HE2 GLU 10 -8.134 2.626 -6.873
65 H VAL 11 H VAL 11 -3.145 2.395 -2.690
66 HA VAL 11 HA VAL 11 -3.293 1.299 -0.175
67 HB VAL 11 HB VAL 11 -3.692 4.138 -1.134
68 1HG1 VAL 11 1HG1 VAL 11 -4.585 3.600 1.213
69 2HG1 VAL 11 2HG1 VAL 11 -2.885 3.337 1.668
70 3HG1 VAL 11 3HG1 VAL 11 -3.410 4.928 1.068
71 1HG2 VAL 11 1HG2 VAL 11 -1.365 4.449 -0.730
72 2HG2 VAL 11 2HG2 VAL 11 -1.222 2.873 0.085
73 3HG2 VAL 11 3HG2 VAL 11 -1.519 2.944 -1.669
74 H ILE 12 H ILE 12 -4.907 0.808 1.254
75 HA ILE 12 HA ILE 12 -7.620 1.543 0.397
76 HB ILE 12 HB ILE 12 -8.363 -0.488 1.548
77 1HG1 ILE 12 1HG1 ILE 12 -6.025 -2.030 1.746
78 2HG1 ILE 12 2HG1 ILE 12 -5.621 -0.505 2.508
79 1HG2 ILE 12 1HG2 ILE 12 -7.954 -1.888 -0.231
80 2HG2 ILE 12 2HG2 ILE 12 -7.555 -0.305 -0.940
81 3HG2 ILE 12 3HG2 ILE 12 -6.254 -1.384 -0.385
82 1HD1 ILE 12 1HD1 ILE 12 -7.919 -2.376 3.195
83 2HD1 ILE 12 2HD1 ILE 12 -6.577 -1.853 4.241
84 3HD1 ILE 12 3HD1 ILE 12 -7.855 -0.699 3.787
85 H GLU 13 H GLU 13 -5.239 1.345 3.051
86 HA GLU 13 HA GLU 13 -6.611 3.420 4.391
87 1HB GLU 13 1HB GLU 13 -8.007 1.583 5.200
88 2HB GLU 13 2HB GLU 13 -6.597 0.641 5.641
89 1HG GLU 13 1HG GLU 13 -5.991 2.196 7.403
90 2HG GLU 13 2HG GLU 13 -7.142 3.391 6.838
91 HE2 GLU 13 HE2 GLU 13 -6.903 1.984 9.323
92 H ILE 14 H ILE 14 -5.237 4.476 5.916
93 HA ILE 14 HA ILE 14 -2.473 3.596 5.728
94 HB ILE 14 HB ILE 14 -3.678 6.162 6.770
95 1HG1 ILE 14 1HG1 ILE 14 -4.111 5.815 4.372
96 2HG1 ILE 14 2HG1 ILE 14 -3.024 7.159 4.666
97 1HG2 ILE 14 1HG2 ILE 14 -1.585 5.929 7.819
98 2HG2 ILE 14 2HG2 ILE 14 -0.827 5.263 6.353
99 3HG2 ILE 14 3HG2 ILE 14 -1.291 6.980 6.413
100 1HD1 ILE 14 1HD1 ILE 14 -1.128 5.310 4.371
101 2HD1 ILE 14 2HD1 ILE 14 -2.416 4.443 3.499
102 3HD1 ILE 14 3HD1 ILE 14 -1.895 6.053 2.946
103 H ILE 15 H ILE 15 -1.127 3.281 7.586
104 HA ILE 15 HA ILE 15 -2.676 2.352 9.869
105 HB ILE 15 HB ILE 15 0.187 1.921 9.015
106 1HG1 ILE 15 1HG1 ILE 15 -0.925 -0.530 9.081
107 2HG1 ILE 15 2HG1 ILE 15 -2.356 0.405 8.695
108 1HG2 ILE 15 1HG2 ILE 15 -0.139 2.027 11.513
109 2HG2 ILE 15 2HG2 ILE 15 -1.215 0.617 11.357
110 3HG2 ILE 15 3HG2 ILE 15 0.497 0.488 10.884
111 1HD1 ILE 15 1HD1 ILE 15 -0.486 -0.456 6.847
112 2HD1 ILE 15 2HD1 ILE 15 -1.628 0.884 6.585
113 3HD1 ILE 15 3HD1 ILE 15 0.030 1.223 7.138
114 H GLY 16 H GLY 16 0.531 4.018 9.484
115 1HA GLY 16 1HA GLY 16 -0.109 6.382 10.761
116 2HA GLY 16 2HA GLY 16 0.321 5.260 12.036
117 H ARG 17 H ARG 17 2.160 6.826 12.374
118 HA ARG 17 HA ARG 17 4.283 6.218 10.473
119 1HB ARG 17 1HB ARG 17 3.734 8.752 12.085
120 2HB ARG 17 2HB ARG 17 5.301 8.443 11.364
121 1HG ARG 17 1HG ARG 17 4.392 8.439 9.128
122 2HG ARG 17 2HG ARG 17 2.745 8.328 9.715
123 1HD ARG 17 1HD ARG 17 4.449 10.705 10.516
124 2HD ARG 17 2HD ARG 17 3.716 10.670 8.925
125 HE ARG 17 HE ARG 17 1.765 10.004 10.959
126 1HH1 ARG 17 1HH1 ARG 17 3.480 12.752 9.523
127 2HH1 ARG 17 2HH1 ARG 17 2.246 13.896 9.934
128 1HH2 ARG 17 1HH2 ARG 17 0.290 13.145 11.097
129 H THR 18 H THR 18 6.476 5.973 11.427
130 HA THR 18 HA THR 18 6.574 5.724 14.326
131 HB THR 18 HB THR 18 5.815 3.497 13.585
132 HG1 THR 18 HG1 THR 18 7.647 3.813 15.164
133 1HG2 THR 18 1HG2 THR 18 8.300 2.850 12.110
134 2HG2 THR 18 2HG2 THR 18 6.618 2.414 11.725
135 3HG2 THR 18 3HG2 THR 18 7.262 4.002 11.237
136 H GLY 19 H GLY 19 8.636 5.965 15.210
137 1HA GLY 19 1HA GLY 19 10.711 6.704 13.233
138 2HA GLY 19 2HA GLY 19 10.417 7.598 14.712
139 H THR 20 H THR 20 10.596 4.037 13.992
140 HA THR 20 HA THR 20 12.521 3.825 16.202
141 HB THR 20 HB THR 20 10.341 2.571 16.373
142 HG1 THR 20 HG1 THR 20 11.525 0.565 16.810
143 1HG2 THR 20 1HG2 THR 20 10.922 1.918 13.625
144 2HG2 THR 20 2HG2 THR 20 11.043 0.415 14.573
145 3HG2 THR 20 3HG2 THR 20 9.541 1.370 14.604
146 H THR 21 H THR 21 12.205 3.743 12.759
147 HA THR 21 HA THR 21 14.864 2.479 12.611
148 HB THR 21 HB THR 21 12.354 2.177 10.917
149 HG1 THR 21 HG1 THR 21 13.174 -0.074 11.253
150 1HG2 THR 21 1HG2 THR 21 15.267 1.701 10.117
151 2HG2 THR 21 2HG2 THR 21 13.915 0.812 9.373
152 3HG2 THR 21 3HG2 THR 21 14.019 2.581 9.200
153 H GLY 22 H GLY 22 12.609 4.971 11.337
154 1HA GLY 22 1HA GLY 22 14.369 7.022 11.175
155 2HA GLY 22 2HA GLY 22 14.657 6.151 9.683
156 H ASP 23 H ASP 23 11.840 7.263 11.705
157 HA ASP 23 HA ASP 23 9.895 8.060 11.161
158 1HB ASP 23 1HB ASP 23 11.099 9.292 8.661
159 2HB ASP 23 2HB ASP 23 9.854 9.955 9.701
160 HD2 ASP 23 HD2 ASP 23 12.358 12.018 10.493
161 H VAL 24 H VAL 24 9.806 5.513 10.411
162 HA VAL 24 HA VAL 24 9.485 5.154 7.588
163 HB VAL 24 HB VAL 24 8.952 3.397 9.990
164 1HG1 VAL 24 1HG1 VAL 24 7.496 2.709 8.160
165 2HG1 VAL 24 2HG1 VAL 24 8.876 2.694 7.036
166 3HG1 VAL 24 3HG1 VAL 24 8.808 1.526 8.377
167 1HG2 VAL 24 1HG2 VAL 24 10.991 2.193 8.813
168 2HG2 VAL 24 2HG2 VAL 24 11.287 3.820 8.155
169 3HG2 VAL 24 3HG2 VAL 24 11.248 3.566 9.917
170 H THR 25 H THR 25 7.496 4.635 6.488
171 HA THR 25 HA THR 25 5.101 5.533 7.951
172 HB THR 25 HB THR 25 6.046 6.164 5.108
173 HG1 THR 25 HG1 THR 25 5.187 7.777 7.399
174 1HG2 THR 25 1HG2 THR 25 3.362 6.516 6.497
175 2HG2 THR 25 2HG2 THR 25 3.917 7.714 5.303
176 3HG2 THR 25 3HG2 THR 25 3.685 6.017 4.819
177 H GLN 26 H GLN 26 3.940 3.754 8.377
178 HA GLN 26 HA GLN 26 4.007 1.623 6.443
179 1HB GLN 26 1HB GLN 26 3.087 1.925 9.294
180 2HB GLN 26 2HB GLN 26 2.366 0.648 8.334
181 1HG GLN 26 1HG GLN 26 4.447 -0.452 7.991
182 2HG GLN 26 2HG GLN 26 5.380 0.985 8.361
183 1HE2 GLN 26 1HE2 GLN 26 4.973 1.897 10.612
184 2HE2 GLN 26 2HE2 GLN 26 4.956 0.770 11.927
185 H VAL 27 H VAL 27 2.322 1.072 5.068
186 HA VAL 27 HA VAL 27 -0.253 2.364 5.509
187 HB VAL 27 HB VAL 27 -0.365 3.131 3.214
188 1HG1 VAL 27 1HG1 VAL 27 0.860 4.412 5.217
189 2HG1 VAL 27 2HG1 VAL 27 2.236 4.305 4.093
190 3HG1 VAL 27 3HG1 VAL 27 0.730 5.104 3.582
191 1HG2 VAL 27 1HG2 VAL 27 2.340 1.831 3.007
192 2HG2 VAL 27 2HG2 VAL 27 0.947 1.737 1.904
193 3HG2 VAL 27 3HG2 VAL 27 1.935 3.216 1.966
194 H LYS 28 H LYS 28 -2.023 1.221 4.528
195 HA LYS 28 HA LYS 28 -1.278 -1.530 3.859
196 1HB LYS 28 1HB LYS 28 -3.446 -0.289 5.412
197 2HB LYS 28 2HB LYS 28 -4.002 -1.513 4.289
198 1HG LYS 28 1HG LYS 28 -2.109 -3.020 5.210
199 2HG LYS 28 2HG LYS 28 -1.907 -1.830 6.480
200 1HD LYS 28 1HD LYS 28 -4.612 -2.165 6.625
201 2HD LYS 28 2HD LYS 28 -4.166 -3.745 6.010
202 1HE LYS 28 1HE LYS 28 -2.262 -3.297 8.019
203 2HE LYS 28 2HE LYS 28 -3.713 -2.580 8.690
204 1HZ LYS 28 1HZ LYS 28 -4.773 -4.608 8.736
205 2HZ LYS 28 2HZ LYS 28 -3.983 -5.220 7.450
206 H VAL 29 H VAL 29 -1.573 -2.306 1.827
207 HA VAL 29 HA VAL 29 -3.296 -0.714 0.060
208 HB VAL 29 HB VAL 29 -1.664 -1.230 -1.750
209 1HG1 VAL 29 1HG1 VAL 29 -1.001 0.536 0.589
210 2HG1 VAL 29 2HG1 VAL 29 0.140 0.407 -0.771
211 3HG1 VAL 29 3HG1 VAL 29 -1.523 0.973 -1.055
212 1HG2 VAL 29 1HG2 VAL 29 0.569 -1.649 0.127
213 2HG2 VAL 29 2HG2 VAL 29 -0.568 -3.014 0.025
214 3HG2 VAL 29 3HG2 VAL 29 0.231 -2.409 -1.446
215 H ARG 30 H ARG 30 -4.504 -1.911 -1.480
216 HA ARG 30 HA ARG 30 -4.584 -4.734 -0.811
217 1HB ARG 30 1HB ARG 30 -6.716 -3.579 -0.456
218 2HB ARG 30 2HB ARG 30 -6.660 -2.870 -2.058
219 1HG ARG 30 1HG ARG 30 -7.093 -4.950 -3.137
220 2HG ARG 30 2HG ARG 30 -6.614 -5.887 -1.736
221 1HD ARG 30 1HD ARG 30 -8.832 -6.013 -1.225
222 2HD ARG 30 2HD ARG 30 -8.712 -4.337 -0.729
223 HE ARG 30 HE ARG 30 -9.095 -4.557 -3.601
224 1HH1 ARG 30 1HH1 ARG 30 -10.822 -4.672 -0.508
225 2HH1 ARG 30 2HH1 ARG 30 -12.341 -4.207 -1.199
226 1HH2 ARG 30 1HH2 ARG 30 -12.480 -3.784 -3.553
227 H ILE 31 H ILE 31 -4.693 -6.332 -2.547
228 HA ILE 31 HA ILE 31 -3.170 -5.571 -4.828
229 HB ILE 31 HB ILE 31 -4.554 -8.154 -4.095
230 1HG1 ILE 31 1HG1 ILE 31 -1.730 -7.155 -3.654
231 2HG1 ILE 31 2HG1 ILE 31 -2.911 -7.588 -2.436
232 1HG2 ILE 31 1HG2 ILE 31 -2.686 -7.432 -6.350
233 2HG2 ILE 31 2HG2 ILE 31 -2.816 -9.095 -5.730
234 3HG2 ILE 31 3HG2 ILE 31 -4.247 -8.285 -6.411
235 1HD1 ILE 31 1HD1 ILE 31 -1.257 -9.365 -4.200
236 2HD1 ILE 31 2HD1 ILE 31 -1.720 -9.572 -2.494
237 3HD1 ILE 31 3HD1 ILE 31 -2.894 -9.928 -3.784
238 H LEU 32 H LEU 32 -3.849 -4.928 -6.814
239 HA LEU 32 HA LEU 32 -6.672 -4.534 -7.165
240 1HB LEU 32 1HB LEU 32 -4.179 -3.763 -8.634
241 2HB LEU 32 2HB LEU 32 -5.727 -3.666 -9.448
242 HG LEU 32 HG LEU 32 -5.176 -1.508 -8.561
243 1HD1 LEU 32 1HD1 LEU 32 -7.276 -1.066 -7.960
244 2HD1 LEU 32 2HD1 LEU 32 -7.561 -2.820 -8.067
245 3HD1 LEU 32 3HD1 LEU 32 -7.162 -2.077 -6.499
246 1HD2 LEU 32 1HD2 LEU 32 -3.908 -1.292 -6.757
247 2HD2 LEU 32 2HD2 LEU 32 -5.287 -1.799 -5.752
248 3HD2 LEU 32 3HD2 LEU 32 -4.129 -3.011 -6.352
249 H GLU 33 H GLU 33 -4.112 -6.746 -8.297
250 HA GLU 33 HA GLU 33 -6.083 -8.575 -9.131
251 1HB GLU 33 1HB GLU 33 -5.380 -8.712 -11.531
252 2HB GLU 33 2HB GLU 33 -6.180 -7.203 -11.139
253 1HG GLU 33 1HG GLU 33 -4.151 -5.962 -11.181
254 2HG GLU 33 2HG GLU 33 -3.158 -7.388 -10.962
255 HE2 GLU 33 HE2 GLU 33 -4.550 -6.548 -14.638
256 H GLY 34 H GLY 34 -4.824 -10.515 -10.382
257 1HA GLY 34 1HA GLY 34 -2.674 -11.567 -10.618
258 2HA GLY 34 2HA GLY 34 -2.152 -10.775 -9.145
259 H ARG 35 H ARG 35 -4.793 -12.977 -10.329
260 HA ARG 35 HA ARG 35 -5.664 -14.768 -9.494
261 1HB ARG 35 1HB ARG 35 -2.929 -14.947 -8.694
262 2HB ARG 35 2HB ARG 35 -3.857 -15.419 -7.285
263 1HG ARG 35 1HG ARG 35 -3.451 -17.420 -8.598
264 2HG ARG 35 2HG ARG 35 -5.156 -17.038 -8.731
265 1HD ARG 35 1HD ARG 35 -3.356 -15.818 -10.804
266 2HD ARG 35 2HD ARG 35 -3.581 -17.554 -10.894
267 HE ARG 35 HE ARG 35 -6.161 -16.504 -10.550
268 1HH1 ARG 35 1HH1 ARG 35 -3.568 -16.150 -12.939
269 2HH1 ARG 35 2HH1 ARG 35 -4.651 -15.815 -14.248
270 1HH2 ARG 35 1HH2 ARG 35 -7.012 -15.768 -13.836
271 H ASP 36 H ASP 36 -4.002 -13.642 -6.462
272 HA ASP 36 HA ASP 36 -6.059 -14.089 -4.789
273 1HB ASP 36 1HB ASP 36 -3.583 -12.573 -4.776
274 2HB ASP 36 2HB ASP 36 -4.809 -11.645 -3.935
275 HD2 ASP 36 HD2 ASP 36 -2.434 -13.568 -3.199
276 H LYS 37 H LYS 37 -5.155 -10.907 -6.336
277 HA LYS 37 HA LYS 37 -6.308 -8.991 -6.468
278 1HB LYS 37 1HB LYS 37 -6.912 -10.276 -8.486
279 2HB LYS 37 2HB LYS 37 -8.315 -10.927 -7.662
280 1HG LYS 37 1HG LYS 37 -8.335 -8.049 -7.346
281 2HG LYS 37 2HG LYS 37 -8.072 -8.412 -9.041
282 1HD LYS 37 1HD LYS 37 -10.159 -10.104 -7.771
283 2HD LYS 37 2HD LYS 37 -10.546 -8.395 -7.770
284 1HE LYS 37 1HE LYS 37 -10.239 -8.262 -10.207
285 2HE LYS 37 2HE LYS 37 -9.645 -9.909 -10.266
286 1HZ LYS 37 1HZ LYS 37 -11.755 -10.634 -10.360
287 2HZ LYS 37 2HZ LYS 37 -12.171 -9.864 -8.986
288 H GLY 38 H GLY 38 -6.568 -8.372 -4.285
289 1HA GLY 38 1HA GLY 38 -8.512 -7.419 -3.099
290 2HA GLY 38 2HA GLY 38 -9.227 -9.018 -3.155
291 H ARG 39 H ARG 39 -5.757 -8.199 -2.575
292 HA ARG 39 HA ARG 39 -6.107 -9.405 0.052
293 1HB ARG 39 1HB ARG 39 -4.558 -10.469 -1.836
294 2HB ARG 39 2HB ARG 39 -3.424 -9.224 -1.355
295 1HG ARG 39 1HG ARG 39 -3.098 -10.134 0.776
296 2HG ARG 39 2HG ARG 39 -4.698 -10.848 0.838
297 1HD ARG 39 1HD ARG 39 -4.008 -12.797 -0.165
298 2HD ARG 39 2HD ARG 39 -3.000 -11.961 -1.329
299 HE ARG 39 HE ARG 39 -1.165 -12.231 0.100
300 1HH1 ARG 39 1HH1 ARG 39 -4.138 -12.760 1.954
301 2HH1 ARG 39 2HH1 ARG 39 -3.305 -13.296 3.374
302 1HH2 ARG 39 1HH2 ARG 39 -0.910 -13.394 3.363
303 H VAL 40 H VAL 40 -5.878 -7.965 1.735
304 HA VAL 40 HA VAL 40 -4.615 -5.413 1.168
305 HB VAL 40 HB VAL 40 -6.365 -6.510 3.355
306 1HG1 VAL 40 1HG1 VAL 40 -4.599 -4.081 3.417
307 2HG1 VAL 40 2HG1 VAL 40 -6.193 -4.028 4.210
308 3HG1 VAL 40 3HG1 VAL 40 -4.989 -5.239 4.710
309 1HG2 VAL 40 1HG2 VAL 40 -6.944 -5.284 0.955
310 2HG2 VAL 40 2HG2 VAL 40 -8.026 -5.363 2.366
311 3HG2 VAL 40 3HG2 VAL 40 -7.005 -3.928 2.105
312 H ILE 41 H ILE 41 -2.477 -5.154 1.523
313 HA ILE 41 HA ILE 41 -1.300 -6.776 3.673
314 HB ILE 41 HB ILE 41 0.791 -6.702 2.397
315 1HG1 ILE 41 1HG1 ILE 41 -0.806 -5.558 0.095
316 2HG1 ILE 41 2HG1 ILE 41 0.182 -4.571 1.154
317 1HG2 ILE 41 1HG2 ILE 41 -0.148 -8.721 1.993
318 2HG2 ILE 41 2HG2 ILE 41 -1.682 -8.023 1.420
319 3HG2 ILE 41 3HG2 ILE 41 -0.266 -8.065 0.342
320 1HD1 ILE 41 1HD1 ILE 41 2.067 -6.364 0.604
321 2HD1 ILE 41 2HD1 ILE 41 1.044 -6.693 -0.814
322 3HD1 ILE 41 3HD1 ILE 41 1.705 -5.061 -0.553
323 H ARG 42 H ARG 42 0.701 -5.708 4.661
324 HA ARG 42 HA ARG 42 0.192 -2.842 4.780
325 1HB ARG 42 1HB ARG 42 -0.443 -3.751 6.917
326 2HB ARG 42 2HB ARG 42 0.933 -4.835 6.961
327 1HG ARG 42 1HG ARG 42 1.793 -2.036 6.710
328 2HG ARG 42 2HG ARG 42 0.774 -2.260 8.117
329 1HD ARG 42 1HD ARG 42 2.848 -4.376 7.703
330 2HD ARG 42 2HD ARG 42 3.475 -2.783 8.080
331 HE ARG 42 HE ARG 42 1.405 -3.180 9.923
332 1HH1 ARG 42 1HH1 ARG 42 4.408 -4.869 9.098
333 2HH1 ARG 42 2HH1 ARG 42 4.640 -5.495 10.696
334 1HH2 ARG 42 1HH2 ARG 42 3.042 -4.975 12.404
335 H ARG 43 H ARG 43 1.836 -1.941 3.539
336 HA ARG 43 HA ARG 43 4.458 -3.131 3.797
337 1HB ARG 43 1HB ARG 43 3.305 -2.572 1.520
338 2HB ARG 43 2HB ARG 43 3.657 -0.895 1.883
339 1HG ARG 43 1HG ARG 43 6.045 -1.299 1.919
340 2HG ARG 43 2HG ARG 43 5.823 -3.038 1.937
341 1HD ARG 43 1HD ARG 43 4.639 -2.759 -0.359
342 2HD ARG 43 2HD ARG 43 5.265 -1.122 -0.368
343 HE ARG 43 HE ARG 43 7.371 -3.026 0.220
344 1HH1 ARG 43 1HH1 ARG 43 5.457 -1.699 -2.450
345 2HH1 ARG 43 2HH1 ARG 43 6.666 -2.030 -3.645
346 1HH2 ARG 43 1HH2 ARG 43 8.721 -3.066 -2.980
347 H ASN 44 H ASN 44 6.337 -1.817 4.342
348 HA ASN 44 HA ASN 44 5.569 0.664 5.669
349 1HB ASN 44 1HB ASN 44 7.721 0.238 7.036
350 2HB ASN 44 2HB ASN 44 6.395 -0.866 7.343
351 1HD2 ASN 44 1HD2 ASN 44 8.629 -1.827 8.131
352 2HD2 ASN 44 2HD2 ASN 44 9.328 -3.003 7.069
353 H VAL 45 H VAL 45 6.146 2.300 4.200
354 HA VAL 45 HA VAL 45 8.847 2.112 3.057
355 HB VAL 45 HB VAL 45 6.285 3.130 1.821
356 1HG1 VAL 45 1HG1 VAL 45 8.004 4.709 1.236
357 2HG1 VAL 45 2HG1 VAL 45 9.147 3.401 0.848
358 3HG1 VAL 45 3HG1 VAL 45 7.713 3.662 -0.173
359 1HG2 VAL 45 1HG2 VAL 45 6.309 0.841 1.445
360 2HG2 VAL 45 2HG2 VAL 45 7.143 1.458 -0.001
361 3HG2 VAL 45 3HG2 VAL 45 8.084 0.767 1.342
362 H ARG 46 H ARG 46 9.745 4.352 2.499
363 HA ARG 46 HA ARG 46 9.188 6.012 4.781
364 1HB ARG 46 1HB ARG 46 11.344 6.379 2.644
365 2HB ARG 46 2HB ARG 46 11.300 7.139 4.222
366 1HG ARG 46 1HG ARG 46 11.164 4.151 4.240
367 2HG ARG 46 2HG ARG 46 12.678 4.826 3.669
368 1HD ARG 46 1HD ARG 46 12.467 6.375 5.832
369 2HD ARG 46 2HD ARG 46 11.384 5.117 6.392
370 HE ARG 46 HE ARG 46 13.211 3.654 6.614
371 1HH1 ARG 46 1HH1 ARG 46 14.203 6.483 4.728
372 2HH1 ARG 46 2HH1 ARG 46 15.883 6.068 4.756
373 1HH2 ARG 46 1HH2 ARG 46 16.582 4.078 5.894
374 H GLY 47 H GLY 47 8.321 8.118 4.644
375 1HA GLY 47 1HA GLY 47 7.881 10.112 3.463
376 2HA GLY 47 2HA GLY 47 7.868 9.222 1.953
377 HA PRO 48 HA PRO 48 3.603 9.515 3.842
378 1HB PRO 48 1HB PRO 48 2.621 11.856 2.831
379 2HB PRO 48 2HB PRO 48 3.269 11.710 4.452
380 1HG PRO 48 1HG PRO 48 4.501 12.955 2.071
381 2HG PRO 48 2HG PRO 48 4.920 13.164 3.760
382 1HD PRO 48 1HD PRO 48 6.332 11.586 1.824
383 2HD PRO 48 2HD PRO 48 6.682 11.703 3.537
384 H VAL 49 H VAL 49 1.383 10.060 2.492
385 HA VAL 49 HA VAL 49 1.699 9.616 -0.280
386 HB VAL 49 HB VAL 49 2.301 7.375 0.899
387 1HG1 VAL 49 1HG1 VAL 49 -0.086 7.696 2.142
388 2HG1 VAL 49 2HG1 VAL 49 -0.585 6.702 0.752
389 3HG1 VAL 49 3HG1 VAL 49 0.679 6.113 1.858
390 1HG2 VAL 49 1HG2 VAL 49 1.296 8.059 -1.604
391 2HG2 VAL 49 2HG2 VAL 49 2.049 6.512 -1.152
392 3HG2 VAL 49 3HG2 VAL 49 0.279 6.690 -1.095
393 H ARG 50 H ARG 50 -0.788 8.397 -0.823
394 HA ARG 50 HA ARG 50 -2.728 9.688 0.814
395 1HB ARG 50 1HB ARG 50 -2.355 10.538 -2.103
396 2HB ARG 50 2HB ARG 50 -3.726 10.990 -1.111
397 1HG ARG 50 1HG ARG 50 -2.190 12.128 0.501
398 2HG ARG 50 2HG ARG 50 -0.813 11.666 -0.479
399 1HD ARG 50 1HD ARG 50 -2.118 12.889 -2.436
400 2HD ARG 50 2HD ARG 50 -3.016 13.647 -1.137
401 HE ARG 50 HE ARG 50 -0.333 13.942 -0.401
402 1HH1 ARG 50 1HH1 ARG 50 -2.301 14.892 -3.189
403 2HH1 ARG 50 2HH1 ARG 50 -1.347 16.294 -3.542
404 1HH2 ARG 50 1HH2 ARG 50 0.546 16.802 -2.163
405 H VAL 51 H VAL 51 -4.735 8.609 0.652
406 HA VAL 51 HA VAL 51 -4.892 6.091 -0.261
407 HB VAL 51 HB VAL 51 -6.978 8.244 0.022
408 1HG1 VAL 51 1HG1 VAL 51 -8.593 6.194 0.056
409 2HG1 VAL 51 2HG1 VAL 51 -8.096 6.888 -1.506
410 3HG1 VAL 51 3HG1 VAL 51 -7.326 5.399 -0.909
411 1HG2 VAL 51 1HG2 VAL 51 -6.477 5.754 1.683
412 2HG2 VAL 51 2HG2 VAL 51 -5.755 7.344 2.032
413 3HG2 VAL 51 3HG2 VAL 51 -7.522 7.140 2.079
414 H GLY 52 H GLY 52 -5.501 4.989 -2.159
415 1HA GLY 52 1HA GLY 52 -6.287 4.903 -4.359
416 2HA GLY 52 2HA GLY 52 -5.978 6.617 -4.553
417 H ASP 53 H ASP 53 -3.257 6.243 -3.113
418 HA ASP 53 HA ASP 53 -1.663 6.248 -5.263
419 1HB ASP 53 1HB ASP 53 -1.158 6.637 -2.724
420 2HB ASP 53 2HB ASP 53 -0.805 4.922 -2.661
421 HD2 ASP 53 HD2 ASP 53 0.309 7.920 -3.629
422 H ILE 54 H ILE 54 -0.484 4.643 -6.476
423 HA ILE 54 HA ILE 54 -1.271 1.872 -5.894
424 HB ILE 54 HB ILE 54 -0.776 3.222 -8.549
425 1HG1 ILE 54 1HG1 ILE 54 -2.990 3.568 -7.240
426 2HG1 ILE 54 2HG1 ILE 54 -3.050 3.150 -8.940
427 1HG2 ILE 54 1HG2 ILE 54 -1.656 0.900 -9.357
428 2HG2 ILE 54 2HG2 ILE 54 0.062 1.109 -8.942
429 3HG2 ILE 54 3HG2 ILE 54 -1.045 0.333 -7.785
430 1HD1 ILE 54 1HD1 ILE 54 -3.291 1.152 -6.642
431 2HD1 ILE 54 2HD1 ILE 54 -4.647 1.786 -7.605
432 3HD1 ILE 54 3HD1 ILE 54 -3.410 0.764 -8.376
433 H LEU 55 H LEU 55 0.349 0.483 -5.404
434 HA LEU 55 HA LEU 55 3.035 1.189 -6.321
435 1HB LEU 55 1HB LEU 55 2.269 1.733 -3.785
436 2HB LEU 55 2HB LEU 55 2.816 0.079 -3.589
437 HG LEU 55 HG LEU 55 4.673 1.416 -3.071
438 1HD1 LEU 55 1HD1 LEU 55 4.905 -0.472 -4.909
439 2HD1 LEU 55 2HD1 LEU 55 5.400 0.905 -5.924
440 3HD1 LEU 55 3HD1 LEU 55 6.289 0.538 -4.427
441 1HD2 LEU 55 1HD2 LEU 55 3.507 3.397 -4.491
442 2HD2 LEU 55 2HD2 LEU 55 5.193 3.437 -3.924
443 3HD2 LEU 55 3HD2 LEU 55 4.828 2.952 -5.597
444 H ILE 56 H ILE 56 3.935 -0.484 -7.394
445 HA ILE 56 HA ILE 56 2.637 -3.074 -7.121
446 HB ILE 56 HB ILE 56 4.762 -2.266 -9.096
447 1HG1 ILE 56 1HG1 ILE 56 1.817 -1.662 -9.094
448 2HG1 ILE 56 2HG1 ILE 56 3.164 -0.619 -9.505
449 1HG2 ILE 56 1HG2 ILE 56 2.608 -4.184 -9.770
450 2HG2 ILE 56 2HG2 ILE 56 4.342 -4.205 -10.169
451 3HG2 ILE 56 3HG2 ILE 56 3.794 -4.727 -8.558
452 1HD1 ILE 56 1HD1 ILE 56 2.388 -1.132 -11.638
453 2HD1 ILE 56 2HD1 ILE 56 3.572 -2.444 -11.422
454 3HD1 ILE 56 3HD1 ILE 56 1.839 -2.757 -11.160
455 H LEU 57 H LEU 57 3.775 -4.998 -6.586
456 HA LEU 57 HA LEU 57 6.509 -4.629 -5.648
457 1HB LEU 57 1HB LEU 57 5.777 -6.028 -3.597
458 2HB LEU 57 2HB LEU 57 5.569 -4.288 -3.605
459 HG LEU 57 HG LEU 57 3.645 -5.524 -2.652
460 1HD1 LEU 57 1HD1 LEU 57 2.197 -3.941 -3.330
461 2HD1 LEU 57 2HD1 LEU 57 3.615 -3.290 -4.185
462 3HD1 LEU 57 3HD1 LEU 57 2.438 -4.301 -5.057
463 1HD2 LEU 57 1HD2 LEU 57 2.292 -6.984 -3.843
464 2HD2 LEU 57 2HD2 LEU 57 2.899 -6.428 -5.420
465 3HD2 LEU 57 3HD2 LEU 57 3.928 -7.436 -4.377
466 H ARG 58 H ARG 58 7.805 -6.328 -6.196
467 HA ARG 58 HA ARG 58 6.814 -8.215 -7.941
468 1HB ARG 58 1HB ARG 58 9.380 -7.561 -6.660
469 2HB ARG 58 2HB ARG 58 9.198 -9.293 -6.842
470 1HG ARG 58 1HG ARG 58 9.281 -9.205 -9.146
471 2HG ARG 58 2HG ARG 58 8.380 -7.705 -9.230
472 1HD ARG 58 1HD ARG 58 10.403 -6.435 -8.497
473 2HD ARG 58 2HD ARG 58 11.308 -7.932 -8.376
474 HE ARG 58 HE ARG 58 10.230 -7.856 -10.993
475 1HH1 ARG 58 1HH1 ARG 58 12.530 -5.981 -9.056
476 2HH1 ARG 58 2HH1 ARG 58 13.451 -5.460 -10.429
477 1HH2 ARG 58 1HH2 ARG 58 12.795 -6.172 -12.621
478 H GLU 59 H GLU 59 8.177 -8.742 -4.595
479 HA GLU 59 HA GLU 59 6.186 -10.838 -4.281
480 1HB GLU 59 1HB GLU 59 9.075 -11.177 -4.422
481 2HB GLU 59 2HB GLU 59 8.496 -11.672 -2.844
482 1HG GLU 59 1HG GLU 59 7.995 -13.651 -3.872
483 2HG GLU 59 2HG GLU 59 6.575 -12.809 -4.460
484 HE2 GLU 59 HE2 GLU 59 9.858 -12.824 -6.707
485 H THR 60 H THR 60 6.629 -11.639 -1.698
486 HA THR 60 HA THR 60 5.764 -9.357 -0.227
487 HB THR 60 HB THR 60 6.245 -12.309 0.257
488 HG1 THR 60 HG1 THR 60 3.978 -12.091 0.496
489 1HG2 THR 60 1HG2 THR 60 5.014 -11.273 2.572
490 2HG2 THR 60 2HG2 THR 60 6.660 -11.947 2.483
491 3HG2 THR 60 3HG2 THR 60 6.404 -10.194 2.309
492 H GLU 61 H GLU 61 8.865 -10.980 -0.758
493 HA GLU 61 HA GLU 61 10.886 -10.456 -0.164
494 1HB GLU 61 1HB GLU 61 9.535 -7.812 0.413
495 2HB GLU 61 2HB GLU 61 11.219 -8.031 0.844
496 1HG GLU 61 1HG GLU 61 11.385 -8.989 -1.662
497 2HG GLU 61 2HG GLU 61 9.947 -8.015 -1.893
498 HE2 GLU 61 HE2 GLU 61 12.159 -5.967 -2.979
499 H ARG 62 H ARG 62 9.262 -8.531 2.442
500 HA ARG 62 HA ARG 62 8.970 -8.973 4.569
501 1HB ARG 62 1HB ARG 62 9.156 -11.556 3.710
502 2HB ARG 62 2HB ARG 62 10.622 -11.487 4.666
503 1HG ARG 62 1HG ARG 62 8.512 -10.219 6.181
504 2HG ARG 62 2HG ARG 62 7.904 -11.752 5.588
505 1HD ARG 62 1HD ARG 62 10.666 -11.989 6.598
506 2HD ARG 62 2HD ARG 62 9.574 -11.378 7.824
507 HE ARG 62 HE ARG 62 8.123 -13.462 6.817
508 1HH1 ARG 62 1HH1 ARG 62 11.503 -13.264 7.862
509 2HH1 ARG 62 2HH1 ARG 62 11.581 -14.927 8.340
510 1HH2 ARG 62 1HH2 ARG 62 9.643 -16.315 8.088
511 H GLU 63 H GLU 63 10.217 -7.398 5.555
512 HA GLU 63 HA GLU 63 13.028 -7.399 5.229
513 1HB GLU 63 1HB GLU 63 11.202 -5.448 5.690
514 2HB GLU 63 2HB GLU 63 11.731 -5.708 7.341
515 1HG GLU 63 1HG GLU 63 13.870 -4.911 6.937
516 2HG GLU 63 2HG GLU 63 13.914 -5.532 5.299
517 HE2 GLU 63 HE2 GLU 63 13.504 -1.827 5.378
518 H ALA 64 H ALA 64 14.261 -6.802 7.549
519 HA ALA 64 HA ALA 64 14.189 -9.303 8.938
520 1HB ALA 64 1HB ALA 64 16.076 -7.308 8.387
521 2HB ALA 64 2HB ALA 64 15.804 -7.182 10.141
522 3HB ALA 64 3HB ALA 64 16.313 -8.732 9.428
523 H ARG 65 H ARG 65 12.448 -9.656 10.261
524 HA ARG 65 HA ARG 65 10.986 -7.691 11.459
525 1HB ARG 65 1HB ARG 65 10.972 -10.509 11.357
526 2HB ARG 65 2HB ARG 65 11.122 -10.165 13.069
527 1HG ARG 65 1HG ARG 65 9.096 -8.856 13.094
528 2HG ARG 65 2HG ARG 65 9.047 -8.752 11.345
529 1HD ARG 65 1HD ARG 65 9.098 -11.553 12.063
530 2HD ARG 65 2HD ARG 65 7.875 -10.770 13.042
531 HE ARG 65 HE ARG 65 7.488 -9.770 10.446
532 1HH1 ARG 65 1HH1 ARG 65 7.439 -12.961 11.985
533 2HH1 ARG 65 2HH1 ARG 65 6.293 -13.620 10.866
534 1HH2 ARG 65 1HH2 ARG 65 5.446 -12.237 9.101
535 H GLU 66 H GLU 66 13.622 -9.768 12.869
536 HA GLU 66 HA GLU 66 14.756 -9.612 14.730
537 1HB GLU 66 1HB GLU 66 15.939 -7.453 15.078
538 2HB GLU 66 2HB GLU 66 15.918 -7.921 13.389
539 1HG GLU 66 1HG GLU 66 14.105 -6.361 12.897
540 2HG GLU 66 2HG GLU 66 13.853 -6.029 14.600
541 HE2 GLU 66 HE2 GLU 66 15.147 -4.385 15.444
542 H ILE 67 H ILE 67 11.828 -9.439 15.057
543 HA ILE 67 HA ILE 67 10.251 -8.758 16.484
544 HB ILE 67 HB ILE 67 10.751 -9.270 18.780
545 1HG1 ILE 67 1HG1 ILE 67 13.049 -8.009 18.601
546 2HG1 ILE 67 2HG1 ILE 67 12.818 -9.299 19.765
547 1HG2 ILE 67 1HG2 ILE 67 10.471 -11.298 17.838
548 2HG2 ILE 67 2HG2 ILE 67 11.684 -11.004 16.570
549 3HG2 ILE 67 3HG2 ILE 67 12.203 -11.474 18.206
550 1HD1 ILE 67 1HD1 ILE 67 14.280 -10.704 18.699
551 2HD1 ILE 67 2HD1 ILE 67 13.712 -10.224 17.082
552 3HD1 ILE 67 3HD1 ILE 67 14.883 -9.204 17.952
553 H LYS 68 H LYS 68 10.425 -7.357 18.999
554 HA LYS 68 HA LYS 68 11.835 -4.955 18.752
555 1HB LYS 68 1HB LYS 68 10.367 -4.531 16.845
556 2HB LYS 68 2HB LYS 68 8.949 -4.825 17.831
557 1HG LYS 68 1HG LYS 68 10.514 -2.898 19.250
558 2HG LYS 68 2HG LYS 68 10.517 -2.386 17.575
559 1HD LYS 68 1HD LYS 68 7.852 -3.144 17.988
560 2HD LYS 68 2HD LYS 68 8.293 -2.421 19.523
561 1HE LYS 68 1HE LYS 68 9.089 -0.972 16.996
562 2HE LYS 68 2HE LYS 68 7.402 -0.930 17.470
563 1HZ LYS 68 1HZ LYS 68 9.450 -0.317 19.493
564 2HZ LYS 68 2HZ LYS 68 9.041 0.837 18.419
565 H SER 69 H SER 69 11.639 -6.781 20.777
566 HA SER 69 HA SER 69 9.518 -6.054 22.523
567 1HB SER 69 1HB SER 69 10.656 -8.340 22.398
568 2HB SER 69 2HB SER 69 12.048 -7.619 23.180
569 HG SER 69 HG SER 69 9.380 -7.548 24.300
570 H ARG 70 H ARG 70 13.138 -5.964 22.944
571 HA ARG 70 HA ARG 70 14.462 -4.510 23.844
572 1HB ARG 70 1HB ARG 70 12.976 -2.871 22.391
573 2HB ARG 70 2HB ARG 70 12.302 -2.370 23.929
574 1HG ARG 70 1HG ARG 70 15.121 -2.413 24.321
575 2HG ARG 70 2HG ARG 70 14.883 -1.687 22.744
576 1HD ARG 70 1HD ARG 70 13.400 -0.796 25.264
577 2HD ARG 70 2HD ARG 70 14.857 -0.027 24.667
578 HE ARG 70 HE ARG 70 13.109 -0.079 22.471
579 1HH1 ARG 70 1HH1 ARG 70 13.059 1.299 25.735
580 2HH1 ARG 70 2HH1 ARG 70 12.031 2.622 25.294
581 1HH2 ARG 70 1HH2 ARG 70 11.277 2.818 23.028
582 H ARG 71 H ARG 71 15.081 -3.868 25.992
583 HA ARG 71 HA ARG 71 12.912 -4.047 27.923
584 1HB ARG 71 1HB ARG 71 14.791 -5.991 27.681
585 2HB ARG 71 2HB ARG 71 15.693 -4.903 28.716
586 1HG ARG 71 1HG ARG 71 14.202 -5.134 30.511
587 2HG ARG 71 2HG ARG 71 12.837 -5.501 29.474
588 1HD ARG 71 1HD ARG 71 13.504 -7.763 29.169
589 2HD ARG 71 2HD ARG 71 15.168 -7.439 29.614
590 HE ARG 71 HE ARG 71 13.055 -8.153 31.419
591 1HH1 ARG 71 1HH1 ARG 71 15.844 -5.977 31.222
592 2HH1 ARG 71 2HH1 ARG 71 16.088 -5.934 32.937
593 1HH2 ARG 71 1HH2 ARG 71 14.626 -7.187 34.362
Start of MODEL 10
1 1H MET 1 1H MET 1 -3.639 -14.292 -16.729
2 HA MET 1 HA MET 1 -1.868 -13.258 -15.788
3 1HB MET 1 1HB MET 1 0.159 -14.898 -16.195
4 2HB MET 1 2HB MET 1 -1.315 -15.564 -15.520
5 1HG MET 1 1HG MET 1 -2.029 -16.122 -17.936
6 2HG MET 1 2HG MET 1 -0.403 -15.694 -18.430
7 1HE MET 1 1HE MET 1 -0.748 -17.959 -19.457
8 2HE MET 1 2HE MET 1 0.963 -18.133 -18.997
9 3HE MET 1 3HE MET 1 -0.183 -19.459 -18.684
10 H ALA 2 H ALA 2 -2.105 -11.369 -17.498
11 HA ALA 2 HA ALA 2 0.099 -11.327 -19.383
12 1HB ALA 2 1HB ALA 2 -1.936 -10.481 -20.259
13 2HB ALA 2 2HB ALA 2 -2.278 -9.542 -18.786
14 3HB ALA 2 3HB ALA 2 -0.971 -9.033 -19.882
15 H GLU 3 H GLU 3 -1.061 -8.545 -17.443
16 HA GLU 3 HA GLU 3 1.208 -7.293 -17.100
17 1HB GLU 3 1HB GLU 3 0.210 -6.875 -14.600
18 2HB GLU 3 2HB GLU 3 -0.444 -6.121 -16.041
19 1HG GLU 3 1HG GLU 3 -1.486 -8.861 -15.447
20 2HG GLU 3 2HG GLU 3 -1.930 -7.625 -14.287
21 HE2 GLU 3 HE2 GLU 3 -2.872 -6.033 -17.685
22 H ASP 4 H ASP 4 3.240 -7.946 -16.550
23 HA ASP 4 HA ASP 4 3.458 -9.599 -14.178
24 1HB ASP 4 1HB ASP 4 4.069 -10.409 -16.901
25 2HB ASP 4 2HB ASP 4 5.561 -10.348 -15.983
26 HD2 ASP 4 HD2 ASP 4 5.585 -12.407 -14.200
27 H GLU 5 H GLU 5 3.933 -6.677 -15.284
28 HA GLU 5 HA GLU 5 6.777 -6.450 -15.103
29 1HB GLU 5 1HB GLU 5 4.588 -4.862 -16.118
30 2HB GLU 5 2HB GLU 5 5.498 -3.881 -14.985
31 1HG GLU 5 1HG GLU 5 7.087 -3.565 -16.568
32 2HG GLU 5 2HG GLU 5 7.448 -5.280 -16.525
33 HE2 GLU 5 HE2 GLU 5 6.802 -4.944 -19.818
34 H GLY 6 H GLY 6 4.688 -7.221 -12.802
35 1HA GLY 6 1HA GLY 6 5.734 -7.034 -10.551
36 2HA GLY 6 2HA GLY 6 5.751 -5.301 -10.817
37 H TYR 7 H TYR 7 4.298 -7.110 -8.798
38 HA TYR 7 HA TYR 7 1.528 -6.855 -9.486
39 1HB TYR 7 1HB TYR 7 3.235 -7.581 -7.038
40 2HB TYR 7 2HB TYR 7 1.487 -7.528 -6.917
41 HD1 TYR 7 HD1 TYR 7 4.250 -9.610 -7.550
42 HD2 TYR 7 HD2 TYR 7 0.205 -8.954 -8.777
43 HE1 TYR 7 HE1 TYR 7 4.112 -12.002 -8.399
44 HE2 TYR 7 HE2 TYR 7 0.080 -11.349 -9.622
45 HH TYR 7 HH TYR 7 2.089 -13.680 -8.726
46 HA PRO 8 HA PRO 8 1.384 -2.734 -7.972
47 1HB PRO 8 1HB PRO 8 -1.104 -2.128 -8.926
48 2HB PRO 8 2HB PRO 8 0.358 -1.942 -9.874
49 1HG PRO 8 1HG PRO 8 -1.728 -4.027 -10.074
50 2HG PRO 8 2HG PRO 8 -0.511 -3.575 -11.252
51 1HD PRO 8 1HD PRO 8 -0.475 -5.879 -9.543
52 2HD PRO 8 2HD PRO 8 0.795 -5.364 -10.636
53 H ALA 9 H ALA 9 -0.291 -1.343 -6.695
54 HA ALA 9 HA ALA 9 -2.119 -2.878 -5.161
55 1HB ALA 9 1HB ALA 9 -0.992 -3.150 -3.161
56 2HB ALA 9 2HB ALA 9 0.360 -3.358 -4.300
57 3HB ALA 9 3HB ALA 9 0.121 -1.798 -3.479
58 H GLU 10 H GLU 10 -3.581 -1.511 -4.094
59 HA GLU 10 HA GLU 10 -2.961 1.322 -4.423
60 1HB GLU 10 1HB GLU 10 -4.815 0.390 -5.891
61 2HB GLU 10 2HB GLU 10 -5.727 0.042 -4.435
62 1HG GLU 10 1HG GLU 10 -4.736 2.792 -4.371
63 2HG GLU 10 2HG GLU 10 -5.625 2.505 -5.852
64 HE2 GLU 10 HE2 GLU 10 -8.401 2.949 -4.767
65 H VAL 11 H VAL 11 -2.963 2.574 -2.587
66 HA VAL 11 HA VAL 11 -3.155 1.355 -0.082
67 HB VAL 11 HB VAL 11 -3.163 4.235 -0.989
68 1HG1 VAL 11 1HG1 VAL 11 -2.777 4.923 1.283
69 2HG1 VAL 11 2HG1 VAL 11 -4.265 3.947 1.249
70 3HG1 VAL 11 3HG1 VAL 11 -2.747 3.235 1.846
71 1HG2 VAL 11 1HG2 VAL 11 -0.916 2.854 0.455
72 2HG2 VAL 11 2HG2 VAL 11 -1.146 2.582 -1.290
73 3HG2 VAL 11 3HG2 VAL 11 -0.869 4.230 -0.675
74 H ILE 12 H ILE 12 -4.836 1.000 1.307
75 HA ILE 12 HA ILE 12 -7.440 2.028 0.423
76 HB ILE 12 HB ILE 12 -8.356 0.104 1.718
77 1HG1 ILE 12 1HG1 ILE 12 -5.964 -1.523 1.625
78 2HG1 ILE 12 2HG1 ILE 12 -5.702 -0.122 2.644
79 1HG2 ILE 12 1HG2 ILE 12 -6.725 -0.124 -0.769
80 2HG2 ILE 12 2HG2 ILE 12 -7.356 -1.619 -0.038
81 3HG2 ILE 12 3HG2 ILE 12 -8.476 -0.321 -0.517
82 1HD1 ILE 12 1HD1 ILE 12 -7.775 -0.629 3.916
83 2HD1 ILE 12 2HD1 ILE 12 -8.069 -2.038 2.869
84 3HD1 ILE 12 3HD1 ILE 12 -6.651 -2.011 3.944
85 H GLU 13 H GLU 13 -5.122 1.673 3.114
86 HA GLU 13 HA GLU 13 -6.301 3.904 4.383
87 1HB GLU 13 1HB GLU 13 -7.880 2.232 5.217
88 2HB GLU 13 2HB GLU 13 -6.573 1.170 5.703
89 1HG GLU 13 1HG GLU 13 -5.767 2.950 7.305
90 2HG GLU 13 2HG GLU 13 -7.142 3.940 6.860
91 HE2 GLU 13 HE2 GLU 13 -9.292 2.367 8.907
92 H ILE 14 H ILE 14 -4.858 4.850 5.922
93 HA ILE 14 HA ILE 14 -2.196 3.665 5.824
94 HB ILE 14 HB ILE 14 -3.199 6.427 6.506
95 1HG1 ILE 14 1HG1 ILE 14 -1.272 6.356 4.400
96 2HG1 ILE 14 2HG1 ILE 14 -2.482 5.139 4.051
97 1HG2 ILE 14 1HG2 ILE 14 -0.317 6.160 6.175
98 2HG2 ILE 14 2HG2 ILE 14 -1.258 6.980 7.444
99 3HG2 ILE 14 3HG2 ILE 14 -0.929 5.235 7.569
100 1HD1 ILE 14 1HD1 ILE 14 -2.982 8.089 4.641
101 2HD1 ILE 14 2HD1 ILE 14 -3.240 7.242 3.098
102 3HD1 ILE 14 3HD1 ILE 14 -4.278 6.877 4.497
103 H ILE 15 H ILE 15 -1.483 2.462 7.492
104 HA ILE 15 HA ILE 15 -2.997 2.162 9.830
105 HB ILE 15 HB ILE 15 -0.140 1.408 9.204
106 1HG1 ILE 15 1HG1 ILE 15 -2.644 -0.292 9.069
107 2HG1 ILE 15 2HG1 ILE 15 -1.934 0.506 7.681
108 1HG2 ILE 15 1HG2 ILE 15 -1.351 1.441 11.698
109 2HG2 ILE 15 2HG2 ILE 15 -1.550 -0.240 11.150
110 3HG2 ILE 15 3HG2 ILE 15 0.073 0.487 11.219
111 1HD1 ILE 15 1HD1 ILE 15 -1.228 -2.021 8.687
112 2HD1 ILE 15 2HD1 ILE 15 -0.318 -1.076 7.484
113 3HD1 ILE 15 3HD1 ILE 15 0.099 -0.956 9.211
114 H GLY 16 H GLY 16 0.264 3.702 9.343
115 1HA GLY 16 1HA GLY 16 -0.137 6.056 10.612
116 2HA GLY 16 2HA GLY 16 0.119 4.946 11.943
117 H ARG 17 H ARG 17 2.019 6.723 11.978
118 HA ARG 17 HA ARG 17 4.088 6.295 10.139
119 1HB ARG 17 1HB ARG 17 4.174 7.546 12.933
120 2HB ARG 17 2HB ARG 17 5.432 7.705 11.723
121 1HG ARG 17 1HG ARG 17 2.677 8.445 10.818
122 2HG ARG 17 2HG ARG 17 3.377 9.496 12.033
123 1HD ARG 17 1HD ARG 17 5.133 8.726 9.708
124 2HD ARG 17 2HD ARG 17 3.829 9.852 9.388
125 HE ARG 17 HE ARG 17 5.348 10.579 11.770
126 1HH1 ARG 17 1HH1 ARG 17 5.300 10.809 8.234
127 2HH1 ARG 17 2HH1 ARG 17 6.289 12.231 8.190
128 1HH2 ARG 17 1HH2 ARG 17 7.072 13.181 10.246
129 H THR 18 H THR 18 6.103 5.151 10.426
130 HA THR 18 HA THR 18 6.328 3.505 12.834
131 HB THR 18 HB THR 18 6.243 2.501 9.941
132 HG1 THR 18 HG1 THR 18 4.555 1.167 11.184
133 1HG2 THR 18 1HG2 THR 18 7.068 1.153 12.555
134 2HG2 THR 18 2HG2 THR 18 6.429 0.226 11.177
135 3HG2 THR 18 3HG2 THR 18 7.941 1.150 11.003
136 H GLY 19 H GLY 19 7.767 5.727 12.683
137 1HA GLY 19 1HA GLY 19 10.318 5.042 11.392
138 2HA GLY 19 2HA GLY 19 9.824 6.618 11.978
139 H THR 20 H THR 20 9.574 3.425 13.663
140 HA THR 20 HA THR 20 10.261 4.229 16.141
141 HB THR 20 HB THR 20 9.495 1.958 15.583
142 HG1 THR 20 HG1 THR 20 10.783 2.101 17.497
143 1HG2 THR 20 1HG2 THR 20 12.300 1.523 14.435
144 2HG2 THR 20 2HG2 THR 20 10.994 0.319 14.538
145 3HG2 THR 20 3HG2 THR 20 10.841 1.704 13.431
146 H THR 21 H THR 21 12.578 3.372 13.510
147 HA THR 21 HA THR 21 14.681 4.556 15.202
148 HB THR 21 HB THR 21 14.655 2.294 13.154
149 HG1 THR 21 HG1 THR 21 14.359 1.646 15.326
150 1HG2 THR 21 1HG2 THR 21 16.726 4.161 13.275
151 2HG2 THR 21 2HG2 THR 21 17.219 2.964 14.497
152 3HG2 THR 21 3HG2 THR 21 16.928 2.452 12.817
153 H GLY 22 H GLY 22 12.942 4.649 12.131
154 1HA GLY 22 1HA GLY 22 14.628 6.957 11.362
155 2HA GLY 22 2HA GLY 22 14.035 5.779 10.209
156 H ASP 23 H ASP 23 12.479 6.764 8.982
157 HA ASP 23 HA ASP 23 10.284 7.944 10.465
158 1HB ASP 23 1HB ASP 23 12.076 9.591 9.300
159 2HB ASP 23 2HB ASP 23 11.136 9.221 7.868
160 HD2 ASP 23 HD2 ASP 23 10.672 11.635 8.106
161 H VAL 24 H VAL 24 10.277 5.343 9.463
162 HA VAL 24 HA VAL 24 9.409 5.256 6.749
163 HB VAL 24 HB VAL 24 9.173 3.178 8.932
164 1HG1 VAL 24 1HG1 VAL 24 7.835 2.749 6.889
165 2HG1 VAL 24 2HG1 VAL 24 9.319 2.869 5.913
166 3HG1 VAL 24 3HG1 VAL 24 9.143 1.564 7.111
167 1HG2 VAL 24 1HG2 VAL 24 11.333 2.309 8.123
168 2HG2 VAL 24 2HG2 VAL 24 11.473 3.696 7.015
169 3HG2 VAL 24 3HG2 VAL 24 11.487 3.958 8.776
170 H THR 25 H THR 25 7.240 4.508 6.057
171 HA THR 25 HA THR 25 5.143 5.215 7.993
172 HB THR 25 HB THR 25 5.608 6.251 5.161
173 HG1 THR 25 HG1 THR 25 4.948 7.299 7.824
174 1HG2 THR 25 1HG2 THR 25 3.284 5.892 4.988
175 2HG2 THR 25 2HG2 THR 25 3.043 5.976 6.749
176 3HG2 THR 25 3HG2 THR 25 3.316 7.468 5.816
177 H GLN 26 H GLN 26 4.110 3.363 8.418
178 HA GLN 26 HA GLN 26 3.966 1.391 6.339
179 1HB GLN 26 1HB GLN 26 4.085 1.322 9.151
180 2HB GLN 26 2HB GLN 26 2.451 0.804 8.785
181 1HG GLN 26 1HG GLN 26 3.884 -0.609 6.890
182 2HG GLN 26 2HG GLN 26 5.042 -0.549 8.204
183 1HE2 GLN 26 1HE2 GLN 26 4.433 -2.941 7.801
184 2HE2 GLN 26 2HE2 GLN 26 3.227 -3.607 8.851
185 H VAL 27 H VAL 27 2.178 0.944 5.079
186 HA VAL 27 HA VAL 27 -0.391 2.010 5.936
187 HB VAL 27 HB VAL 27 -0.783 3.036 3.756
188 1HG1 VAL 27 1HG1 VAL 27 0.385 4.199 5.814
189 2HG1 VAL 27 2HG1 VAL 27 1.776 4.287 4.707
190 3HG1 VAL 27 3HG1 VAL 27 0.232 5.049 4.258
191 1HG2 VAL 27 1HG2 VAL 27 1.612 3.489 2.546
192 2HG2 VAL 27 2HG2 VAL 27 1.854 1.832 3.150
193 3HG2 VAL 27 3HG2 VAL 27 0.480 2.197 2.079
194 H LYS 28 H LYS 28 -2.205 0.968 4.828
195 HA LYS 28 HA LYS 28 -1.443 -1.715 3.990
196 1HB LYS 28 1HB LYS 28 -3.895 -0.456 5.160
197 2HB LYS 28 2HB LYS 28 -4.085 -1.895 4.179
198 1HG LYS 28 1HG LYS 28 -2.518 -3.144 5.602
199 2HG LYS 28 2HG LYS 28 -2.120 -1.699 6.508
200 1HD LYS 28 1HD LYS 28 -4.107 -1.723 7.708
201 2HD LYS 28 2HD LYS 28 -5.030 -2.404 6.383
202 1HE LYS 28 1HE LYS 28 -4.784 -4.502 7.216
203 2HE LYS 28 2HE LYS 28 -3.040 -4.344 7.219
204 1HZ LYS 28 1HZ LYS 28 -3.348 -3.051 9.367
205 2HZ LYS 28 2HZ LYS 28 -4.896 -3.557 9.388
206 H VAL 29 H VAL 29 -1.663 -2.465 1.924
207 HA VAL 29 HA VAL 29 -3.128 -0.739 0.059
208 HB VAL 29 HB VAL 29 -1.402 -0.918 -1.560
209 1HG1 VAL 29 1HG1 VAL 29 -0.229 -0.204 1.149
210 2HG1 VAL 29 2HG1 VAL 29 0.502 0.211 -0.420
211 3HG1 VAL 29 3HG1 VAL 29 -1.083 0.884 0.029
212 1HG2 VAL 29 1HG2 VAL 29 0.090 -2.703 0.394
213 2HG2 VAL 29 2HG2 VAL 29 -0.686 -3.219 -1.123
214 3HG2 VAL 29 3HG2 VAL 29 0.712 -2.118 -1.168
215 H ARG 30 H ARG 30 -4.384 -1.832 -1.449
216 HA ARG 30 HA ARG 30 -4.490 -4.689 -0.985
217 1HB ARG 30 1HB ARG 30 -6.624 -3.538 -0.676
218 2HB ARG 30 2HB ARG 30 -6.473 -2.717 -2.217
219 1HG ARG 30 1HG ARG 30 -6.972 -4.650 -3.462
220 2HG ARG 30 2HG ARG 30 -6.421 -5.736 -2.203
221 1HD ARG 30 1HD ARG 30 -8.738 -4.006 -1.447
222 2HD ARG 30 2HD ARG 30 -9.070 -5.179 -2.705
223 HE ARG 30 HE ARG 30 -7.617 -6.402 -0.514
224 1HH1 ARG 30 1HH1 ARG 30 -10.849 -5.312 -1.472
225 2HH1 ARG 30 2HH1 ARG 30 -11.669 -6.409 -0.410
226 1HH2 ARG 30 1HH2 ARG 30 -10.384 -7.891 0.966
227 H ILE 31 H ILE 31 -4.561 -6.189 -2.816
228 HA ILE 31 HA ILE 31 -2.874 -5.382 -4.949
229 HB ILE 31 HB ILE 31 -4.472 -7.908 -4.510
230 1HG1 ILE 31 1HG1 ILE 31 -1.761 -6.992 -3.596
231 2HG1 ILE 31 2HG1 ILE 31 -3.024 -7.810 -2.695
232 1HG2 ILE 31 1HG2 ILE 31 -3.213 -8.941 -6.203
233 2HG2 ILE 31 2HG2 ILE 31 -3.722 -7.380 -6.892
234 3HG2 ILE 31 3HG2 ILE 31 -2.059 -7.589 -6.294
235 1HD1 ILE 31 1HD1 ILE 31 -1.147 -8.990 -4.776
236 2HD1 ILE 31 2HD1 ILE 31 -1.369 -9.484 -3.080
237 3HD1 ILE 31 3HD1 ILE 31 -2.639 -9.827 -4.280
238 H LEU 32 H LEU 32 -3.403 -4.415 -6.833
239 HA LEU 32 HA LEU 32 -6.155 -3.870 -7.363
240 1HB LEU 32 1HB LEU 32 -3.519 -3.008 -8.338
241 2HB LEU 32 2HB LEU 32 -4.766 -3.047 -9.569
242 HG LEU 32 HG LEU 32 -5.319 -1.679 -6.951
243 1HD1 LEU 32 1HD1 LEU 32 -3.542 -0.349 -7.250
244 2HD1 LEU 32 2HD1 LEU 32 -3.312 -0.861 -8.939
245 3HD1 LEU 32 3HD1 LEU 32 -4.514 0.391 -8.545
246 1HD2 LEU 32 1HD2 LEU 32 -6.265 -1.213 -9.792
247 2HD2 LEU 32 2HD2 LEU 32 -7.178 -1.993 -8.479
248 3HD2 LEU 32 3HD2 LEU 32 -6.757 -0.268 -8.367
249 H GLU 33 H GLU 33 -3.664 -6.152 -8.503
250 HA GLU 33 HA GLU 33 -5.646 -7.817 -9.564
251 1HB GLU 33 1HB GLU 33 -4.838 -5.803 -11.354
252 2HB GLU 33 2HB GLU 33 -3.906 -7.202 -11.851
253 1HG GLU 33 1HG GLU 33 -6.059 -8.558 -11.851
254 2HG GLU 33 2HG GLU 33 -6.939 -7.080 -11.517
255 HE2 GLU 33 HE2 GLU 33 -5.104 -8.011 -14.861
256 H GLY 34 H GLY 34 -4.368 -9.627 -11.040
257 1HA GLY 34 1HA GLY 34 -1.899 -10.342 -11.146
258 2HA GLY 34 2HA GLY 34 -2.029 -10.336 -9.399
259 H ARG 35 H ARG 35 -2.892 -12.110 -8.344
260 HA ARG 35 HA ARG 35 -4.148 -14.070 -10.093
261 1HB ARG 35 1HB ARG 35 -1.871 -14.302 -8.248
262 2HB ARG 35 2HB ARG 35 -3.132 -15.445 -7.825
263 1HG ARG 35 1HG ARG 35 -2.117 -16.744 -9.429
264 2HG ARG 35 2HG ARG 35 -3.123 -15.814 -10.522
265 1HD ARG 35 1HD ARG 35 -1.166 -15.264 -11.568
266 2HD ARG 35 2HD ARG 35 -0.937 -14.132 -10.250
267 HE ARG 35 HE ARG 35 0.816 -15.465 -9.493
268 1HH1 ARG 35 1HH1 ARG 35 -1.363 -17.501 -11.406
269 2HH1 ARG 35 2HH1 ARG 35 -0.360 -18.907 -11.281
270 1HH2 ARG 35 1HH2 ARG 35 1.696 -18.778 -10.055
271 H ASP 36 H ASP 36 -4.038 -12.407 -6.936
272 HA ASP 36 HA ASP 36 -6.442 -13.823 -6.142
273 1HB ASP 36 1HB ASP 36 -4.162 -12.606 -4.754
274 2HB ASP 36 2HB ASP 36 -5.671 -11.983 -4.117
275 HD2 ASP 36 HD2 ASP 36 -6.429 -14.072 -2.224
276 H LYS 37 H LYS 37 -5.048 -10.669 -7.058
277 HA LYS 37 HA LYS 37 -5.924 -8.585 -7.004
278 1HB LYS 37 1HB LYS 37 -7.416 -8.313 -8.811
279 2HB LYS 37 2HB LYS 37 -6.455 -9.727 -9.197
280 1HG LYS 37 1HG LYS 37 -8.439 -11.026 -7.957
281 2HG LYS 37 2HG LYS 37 -9.349 -9.578 -8.337
282 1HD LYS 37 1HD LYS 37 -7.711 -10.798 -10.551
283 2HD LYS 37 2HD LYS 37 -9.157 -11.656 -10.057
284 1HE LYS 37 1HE LYS 37 -10.549 -9.670 -10.475
285 2HE LYS 37 2HE LYS 37 -9.131 -8.691 -10.793
286 1HZ LYS 37 1HZ LYS 37 -8.742 -9.821 -12.803
287 2HZ LYS 37 2HZ LYS 37 -9.660 -11.107 -12.411
288 H GLY 38 H GLY 38 -6.383 -8.177 -4.799
289 1HA GLY 38 1HA GLY 38 -8.419 -7.103 -3.810
290 2HA GLY 38 2HA GLY 38 -9.195 -8.660 -4.022
291 H ARG 39 H ARG 39 -5.781 -7.988 -3.031
292 HA ARG 39 HA ARG 39 -6.451 -9.305 -0.521
293 1HB ARG 39 1HB ARG 39 -4.643 -10.183 -2.427
294 2HB ARG 39 2HB ARG 39 -3.588 -9.259 -1.376
295 1HG ARG 39 1HG ARG 39 -4.870 -10.585 0.562
296 2HG ARG 39 2HG ARG 39 -5.230 -11.714 -0.730
297 1HD ARG 39 1HD ARG 39 -2.608 -11.487 -1.235
298 2HD ARG 39 2HD ARG 39 -2.542 -10.964 0.436
299 HE ARG 39 HE ARG 39 -4.130 -13.357 0.252
300 1HH1 ARG 39 1HH1 ARG 39 -0.759 -12.280 0.074
301 2HH1 ARG 39 2HH1 ARG 39 -0.116 -13.802 0.591
302 1HH2 ARG 39 1HH2 ARG 39 -1.616 -15.602 1.092
303 H VAL 40 H VAL 40 -6.308 -7.950 1.239
304 HA VAL 40 HA VAL 40 -4.912 -5.433 0.910
305 HB VAL 40 HB VAL 40 -7.177 -5.509 1.826
306 1HG1 VAL 40 1HG1 VAL 40 -7.852 -6.967 3.379
307 2HG1 VAL 40 2HG1 VAL 40 -6.257 -7.748 3.241
308 3HG1 VAL 40 3HG1 VAL 40 -6.533 -6.500 4.480
309 1HG2 VAL 40 1HG2 VAL 40 -5.447 -3.770 2.513
310 2HG2 VAL 40 2HG2 VAL 40 -6.841 -3.970 3.602
311 3HG2 VAL 40 3HG2 VAL 40 -5.269 -4.686 4.029
312 H ILE 41 H ILE 41 -2.840 -5.126 1.533
313 HA ILE 41 HA ILE 41 -1.827 -6.883 3.653
314 HB ILE 41 HB ILE 41 0.352 -6.868 2.446
315 1HG1 ILE 41 1HG1 ILE 41 -1.179 -6.034 -0.015
316 2HG1 ILE 41 2HG1 ILE 41 -0.377 -4.849 0.997
317 1HG2 ILE 41 1HG2 ILE 41 -2.110 -8.271 1.532
318 2HG2 ILE 41 2HG2 ILE 41 -0.647 -8.431 0.531
319 3HG2 ILE 41 3HG2 ILE 41 -0.612 -8.915 2.244
320 1HD1 ILE 41 1HD1 ILE 41 1.728 -6.396 0.792
321 2HD1 ILE 41 2HD1 ILE 41 0.858 -7.128 -0.577
322 3HD1 ILE 41 3HD1 ILE 41 1.271 -5.398 -0.610
323 H ARG 42 H ARG 42 0.530 -5.827 4.283
324 HA ARG 42 HA ARG 42 -0.037 -2.989 4.601
325 1HB ARG 42 1HB ARG 42 1.384 -3.429 6.845
326 2HB ARG 42 2HB ARG 42 -0.352 -3.665 6.806
327 1HG ARG 42 1HG ARG 42 1.472 -5.964 6.056
328 2HG ARG 42 2HG ARG 42 1.233 -5.577 7.748
329 1HD ARG 42 1HD ARG 42 -1.378 -5.535 6.717
330 2HD ARG 42 2HD ARG 42 -0.627 -6.853 5.840
331 HE ARG 42 HE ARG 42 0.098 -7.117 8.586
332 1HH1 ARG 42 1HH1 ARG 42 -2.794 -7.353 6.551
333 2HH1 ARG 42 2HH1 ARG 42 -3.587 -8.485 7.596
334 1HH2 ARG 42 1HH2 ARG 42 -2.483 -9.210 9.596
335 H ARG 43 H ARG 43 1.462 -2.020 3.237
336 HA ARG 43 HA ARG 43 4.104 -3.196 3.166
337 1HB ARG 43 1HB ARG 43 2.837 -2.672 1.017
338 2HB ARG 43 2HB ARG 43 2.936 -0.970 1.422
339 1HG ARG 43 1HG ARG 43 5.001 -0.871 0.497
340 2HG ARG 43 2HG ARG 43 5.588 -2.011 1.692
341 1HD ARG 43 1HD ARG 43 4.987 -3.918 0.271
342 2HD ARG 43 2HD ARG 43 4.160 -2.872 -0.868
343 HE ARG 43 HE ARG 43 7.004 -3.371 -0.767
344 1HH1 ARG 43 1HH1 ARG 43 4.658 -0.816 -1.489
345 2HH1 ARG 43 2HH1 ARG 43 5.723 0.029 -2.563
346 1HH2 ARG 43 1HH2 ARG 43 7.923 -0.835 -2.956
347 H ASN 44 H ASN 44 6.005 -1.947 3.665
348 HA ASN 44 HA ASN 44 5.378 0.440 5.199
349 1HB ASN 44 1HB ASN 44 7.980 -1.171 5.212
350 2HB ASN 44 2HB ASN 44 7.497 0.044 6.378
351 1HD2 ASN 44 1HD2 ASN 44 7.591 -1.273 8.133
352 2HD2 ASN 44 2HD2 ASN 44 6.485 -2.568 8.448
353 H VAL 45 H VAL 45 5.843 2.357 4.111
354 HA VAL 45 HA VAL 45 8.230 2.386 2.416
355 HB VAL 45 HB VAL 45 5.406 3.042 1.688
356 1HG1 VAL 45 1HG1 VAL 45 7.838 4.390 0.466
357 2HG1 VAL 45 2HG1 VAL 45 6.177 4.473 -0.166
358 3HG1 VAL 45 3HG1 VAL 45 6.561 5.183 1.420
359 1HG2 VAL 45 1HG2 VAL 45 6.285 0.948 0.891
360 2HG2 VAL 45 2HG2 VAL 45 6.161 2.062 -0.492
361 3HG2 VAL 45 3HG2 VAL 45 7.745 1.743 0.255
362 H ARG 46 H ARG 46 9.303 4.432 2.332
363 HA ARG 46 HA ARG 46 8.828 5.945 4.686
364 1HB ARG 46 1HB ARG 46 11.136 5.506 3.962
365 2HB ARG 46 2HB ARG 46 10.837 6.239 2.399
366 1HG ARG 46 1HG ARG 46 11.083 8.373 3.207
367 2HG ARG 46 2HG ARG 46 10.190 8.029 4.674
368 1HD ARG 46 1HD ARG 46 12.101 7.679 5.865
369 2HD ARG 46 2HD ARG 46 12.737 6.577 4.659
370 HE ARG 46 HE ARG 46 13.116 8.964 3.407
371 1HH1 ARG 46 1HH1 ARG 46 13.835 7.968 6.731
372 2HH1 ARG 46 2HH1 ARG 46 15.172 9.056 6.898
373 1HH2 ARG 46 1HH2 ARG 46 15.769 10.475 5.062
374 H GLY 47 H GLY 47 8.253 8.218 4.781
375 1HA GLY 47 1HA GLY 47 7.666 10.260 3.818
376 2HA GLY 47 2HA GLY 47 7.413 9.478 2.270
377 HA PRO 48 HA PRO 48 3.401 9.902 4.533
378 1HB PRO 48 1HB PRO 48 2.299 12.035 3.227
379 2HB PRO 48 2HB PRO 48 3.120 12.176 4.769
380 1HG PRO 48 1HG PRO 48 4.076 12.954 2.081
381 2HG PRO 48 2HG PRO 48 4.674 13.460 3.648
382 1HD PRO 48 1HD PRO 48 5.879 11.541 1.889
383 2HD PRO 48 2HD PRO 48 6.413 11.962 3.504
384 H VAL 49 H VAL 49 1.366 9.101 3.914
385 HA VAL 49 HA VAL 49 1.305 8.446 1.052
386 HB VAL 49 HB VAL 49 1.087 6.695 3.454
387 1HG1 VAL 49 1HG1 VAL 49 -1.164 6.574 2.412
388 2HG1 VAL 49 2HG1 VAL 49 -0.402 6.105 0.873
389 3HG1 VAL 49 3HG1 VAL 49 -0.264 5.043 2.294
390 1HG2 VAL 49 1HG2 VAL 49 3.038 6.168 2.417
391 2HG2 VAL 49 2HG2 VAL 49 1.972 5.135 1.434
392 3HG2 VAL 49 3HG2 VAL 49 2.474 6.731 0.825
393 H ARG 50 H ARG 50 -0.998 7.855 0.340
394 HA ARG 50 HA ARG 50 -3.040 8.919 2.016
395 1HB ARG 50 1HB ARG 50 -2.203 10.994 0.947
396 2HB ARG 50 2HB ARG 50 -2.338 10.264 -0.640
397 1HG ARG 50 1HG ARG 50 -4.885 9.886 0.106
398 2HG ARG 50 2HG ARG 50 -4.534 11.201 1.209
399 1HD ARG 50 1HD ARG 50 -3.717 11.535 -1.677
400 2HD ARG 50 2HD ARG 50 -5.422 11.656 -1.293
401 HE ARG 50 HE ARG 50 -4.136 13.261 0.615
402 1HH1 ARG 50 1HH1 ARG 50 -4.349 13.194 -2.922
403 2HH1 ARG 50 2HH1 ARG 50 -4.135 14.905 -3.090
404 1HH2 ARG 50 1HH2 ARG 50 -3.843 16.251 -1.128
405 H VAL 51 H VAL 51 -5.112 8.092 1.415
406 HA VAL 51 HA VAL 51 -5.250 5.740 0.086
407 HB VAL 51 HB VAL 51 -7.321 7.909 0.441
408 1HG1 VAL 51 1HG1 VAL 51 -8.483 6.735 -1.113
409 2HG1 VAL 51 2HG1 VAL 51 -7.500 5.267 -0.902
410 3HG1 VAL 51 3HG1 VAL 51 -8.795 5.646 0.260
411 1HG2 VAL 51 1HG2 VAL 51 -6.089 6.020 2.217
412 2HG2 VAL 51 2HG2 VAL 51 -7.335 7.242 2.567
413 3HG2 VAL 51 3HG2 VAL 51 -7.812 5.611 2.040
414 H GLY 52 H GLY 52 -5.392 5.017 -2.013
415 1HA GLY 52 1HA GLY 52 -6.072 5.373 -4.271
416 2HA GLY 52 2HA GLY 52 -5.659 7.069 -4.119
417 H ASP 53 H ASP 53 -3.127 6.485 -2.575
418 HA ASP 53 HA ASP 53 -1.306 6.695 -4.456
419 1HB ASP 53 1HB ASP 53 -1.339 5.950 -1.697
420 2HB ASP 53 2HB ASP 53 -0.278 4.803 -2.489
421 HD2 ASP 53 HD2 ASP 53 0.838 8.661 -2.657
422 H ILE 54 H ILE 54 -0.334 5.371 -6.042
423 HA ILE 54 HA ILE 54 -1.100 2.534 -5.974
424 HB ILE 54 HB ILE 54 -0.694 4.385 -8.325
425 1HG1 ILE 54 1HG1 ILE 54 -2.831 4.769 -7.345
426 2HG1 ILE 54 2HG1 ILE 54 -3.082 3.801 -8.785
427 1HG2 ILE 54 1HG2 ILE 54 -0.665 1.431 -8.118
428 2HG2 ILE 54 2HG2 ILE 54 -1.674 2.115 -9.414
429 3HG2 ILE 54 3HG2 ILE 54 0.058 2.514 -9.332
430 1HD1 ILE 54 1HD1 ILE 54 -4.336 2.494 -7.382
431 2HD1 ILE 54 2HD1 ILE 54 -2.759 1.813 -6.918
432 3HD1 ILE 54 3HD1 ILE 54 -3.504 3.089 -5.926
433 H LEU 55 H LEU 55 0.521 1.050 -5.913
434 HA LEU 55 HA LEU 55 3.161 1.872 -6.807
435 1HB LEU 55 1HB LEU 55 2.405 1.292 -3.983
436 2HB LEU 55 2HB LEU 55 3.944 0.688 -4.564
437 HG LEU 55 HG LEU 55 4.124 3.251 -5.413
438 1HD1 LEU 55 1HD1 LEU 55 1.806 3.403 -3.981
439 2HD1 LEU 55 2HD1 LEU 55 3.013 3.866 -2.757
440 3HD1 LEU 55 3HD1 LEU 55 2.910 4.764 -4.291
441 1HD2 LEU 55 1HD2 LEU 55 4.881 2.997 -2.588
442 2HD2 LEU 55 2HD2 LEU 55 5.412 1.639 -3.607
443 3HD2 LEU 55 3HD2 LEU 55 5.880 3.304 -4.029
444 H ILE 56 H ILE 56 4.666 -0.272 -6.326
445 HA ILE 56 HA ILE 56 3.077 -2.639 -6.914
446 HB ILE 56 HB ILE 56 5.384 -1.835 -8.678
447 1HG1 ILE 56 1HG1 ILE 56 2.458 -1.199 -8.920
448 2HG1 ILE 56 2HG1 ILE 56 3.848 -0.172 -9.214
449 1HG2 ILE 56 1HG2 ILE 56 4.490 -4.294 -8.291
450 2HG2 ILE 56 2HG2 ILE 56 3.242 -3.771 -9.447
451 3HG2 ILE 56 3HG2 ILE 56 4.960 -3.714 -9.907
452 1HD1 ILE 56 1HD1 ILE 56 3.188 -0.672 -11.402
453 2HD1 ILE 56 2HD1 ILE 56 4.401 -1.943 -11.117
454 3HD1 ILE 56 3HD1 ILE 56 2.667 -2.321 -10.976
455 H LEU 57 H LEU 57 4.092 -4.589 -6.281
456 HA LEU 57 HA LEU 57 6.581 -4.158 -4.779
457 1HB LEU 57 1HB LEU 57 4.917 -4.506 -3.181
458 2HB LEU 57 2HB LEU 57 4.111 -5.737 -4.134
459 HG LEU 57 HG LEU 57 6.710 -6.730 -3.631
460 1HD1 LEU 57 1HD1 LEU 57 6.970 -6.646 -1.250
461 2HD1 LEU 57 2HD1 LEU 57 6.851 -4.978 -1.860
462 3HD1 LEU 57 3HD1 LEU 57 5.451 -5.737 -1.063
463 1HD2 LEU 57 1HD2 LEU 57 5.353 -8.315 -2.114
464 2HD2 LEU 57 2HD2 LEU 57 3.935 -7.396 -2.671
465 3HD2 LEU 57 3HD2 LEU 57 4.960 -8.251 -3.849
466 H ARG 58 H ARG 58 8.266 -5.615 -5.085
467 HA ARG 58 HA ARG 58 8.164 -7.012 -7.515
468 1HB ARG 58 1HB ARG 58 10.203 -6.804 -5.263
469 2HB ARG 58 2HB ARG 58 10.479 -7.883 -6.616
470 1HG ARG 58 1HG ARG 58 11.296 -6.115 -7.778
471 2HG ARG 58 2HG ARG 58 9.673 -5.456 -7.821
472 1HD ARG 58 1HD ARG 58 10.612 -4.825 -5.226
473 2HD ARG 58 2HD ARG 58 11.998 -4.558 -6.264
474 HE ARG 58 HE ARG 58 9.563 -2.975 -6.196
475 1HH1 ARG 58 1HH1 ARG 58 12.170 -4.047 -8.341
476 2HH1 ARG 58 2HH1 ARG 58 12.005 -2.701 -9.419
477 1HH2 ARG 58 1HH2 ARG 58 10.337 -1.039 -8.974
478 H GLU 59 H GLU 59 9.086 -8.264 -4.218
479 HA GLU 59 HA GLU 59 7.454 -10.601 -4.813
480 1HB GLU 59 1HB GLU 59 10.360 -10.468 -4.065
481 2HB GLU 59 2HB GLU 59 9.415 -11.770 -3.372
482 1HG GLU 59 1HG GLU 59 9.391 -12.899 -5.342
483 2HG GLU 59 2HG GLU 59 8.770 -11.505 -6.201
484 HE2 GLU 59 HE2 GLU 59 11.166 -13.429 -6.689
485 H THR 60 H THR 60 6.943 -11.897 -2.752
486 HA THR 60 HA THR 60 5.853 -10.155 -0.836
487 HB THR 60 HB THR 60 5.402 -12.390 0.334
488 HG1 THR 60 HG1 THR 60 7.343 -13.458 -0.426
489 1HG2 THR 60 1HG2 THR 60 4.882 -12.206 -2.679
490 2HG2 THR 60 2HG2 THR 60 4.159 -13.446 -1.627
491 3HG2 THR 60 3HG2 THR 60 3.767 -11.728 -1.375
492 H GLU 61 H GLU 61 9.067 -11.374 -1.249
493 HA GLU 61 HA GLU 61 9.978 -11.760 1.229
494 1HB GLU 61 1HB GLU 61 12.162 -11.050 0.425
495 2HB GLU 61 2HB GLU 61 11.322 -11.857 -0.884
496 1HG GLU 61 1HG GLU 61 10.643 -9.651 -1.826
497 2HG GLU 61 2HG GLU 61 11.440 -8.827 -0.501
498 HE2 GLU 61 HE2 GLU 61 14.371 -9.826 -0.867
499 H ARG 62 H ARG 62 9.093 -8.635 -0.279
500 HA ARG 62 HA ARG 62 8.764 -6.663 0.539
501 1HB ARG 62 1HB ARG 62 8.326 -8.403 2.895
502 2HB ARG 62 2HB ARG 62 8.792 -6.775 3.345
503 1HG ARG 62 1HG ARG 62 6.978 -6.046 1.550
504 2HG ARG 62 2HG ARG 62 6.374 -7.678 1.755
505 1HD ARG 62 1HD ARG 62 6.682 -6.950 4.388
506 2HD ARG 62 2HD ARG 62 6.336 -5.385 3.677
507 HE ARG 62 HE ARG 62 4.124 -6.068 3.436
508 1HH1 ARG 62 1HH1 ARG 62 6.163 -8.965 3.466
509 2HH1 ARG 62 2HH1 ARG 62 4.825 -10.060 3.374
510 1HH2 ARG 62 1HH2 ARG 62 2.596 -9.184 3.286
511 H GLU 63 H GLU 63 9.749 -4.947 2.303
512 HA GLU 63 HA GLU 63 11.587 -3.754 2.552
513 1HB GLU 63 1HB GLU 63 13.191 -4.870 4.253
514 2HB GLU 63 2HB GLU 63 11.517 -4.667 4.731
515 1HG GLU 63 1HG GLU 63 11.023 -7.017 4.094
516 2HG GLU 63 2HG GLU 63 12.669 -7.232 3.533
517 HE2 GLU 63 HE2 GLU 63 12.266 -8.942 5.885
518 H ALA 64 H ALA 64 12.153 -3.932 0.190
519 HA ALA 64 HA ALA 64 14.817 -5.076 -0.044
520 1HB ALA 64 1HB ALA 64 13.537 -5.627 -2.507
521 2HB ALA 64 2HB ALA 64 14.109 -6.802 -1.298
522 3HB ALA 64 3HB ALA 64 12.431 -6.212 -1.239
523 H ARG 65 H ARG 65 15.994 -4.152 -1.938
524 HA ARG 65 HA ARG 65 16.501 -2.580 -3.358
525 1HB ARG 65 1HB ARG 65 13.690 -2.499 -3.541
526 2HB ARG 65 2HB ARG 65 14.120 -0.834 -3.208
527 1HG ARG 65 1HG ARG 65 15.895 -1.075 -5.088
528 2HG ARG 65 2HG ARG 65 15.090 -2.574 -5.513
529 1HD ARG 65 1HD ARG 65 13.898 -1.129 -6.886
530 2HD ARG 65 2HD ARG 65 12.895 -1.023 -5.453
531 HE ARG 65 HE ARG 65 13.548 1.204 -5.213
532 1HH1 ARG 65 1HH1 ARG 65 15.965 -0.456 -7.203
533 2HH1 ARG 65 2HH1 ARG 65 16.861 0.988 -7.539
534 1HH2 ARG 65 1HH2 ARG 65 16.117 3.073 -6.619
535 H GLU 66 H GLU 66 15.768 -2.284 -0.141
536 HA GLU 66 HA GLU 66 16.669 0.490 -0.069
537 1HB GLU 66 1HB GLU 66 14.370 0.034 0.888
538 2HB GLU 66 2HB GLU 66 15.114 -1.007 2.085
539 1HG GLU 66 1HG GLU 66 16.599 1.433 2.135
540 2HG GLU 66 2HG GLU 66 14.911 1.897 2.067
541 HE2 GLU 66 HE2 GLU 66 14.059 0.219 4.989
542 H ILE 67 H ILE 67 18.416 -1.817 -0.436
543 HA ILE 67 HA ILE 67 19.510 -2.977 1.715
544 HB ILE 67 HB ILE 67 21.480 -3.222 0.487
545 1HG1 ILE 67 1HG1 ILE 67 21.824 -0.715 0.211
546 2HG1 ILE 67 2HG1 ILE 67 22.384 -1.743 -1.094
547 1HG2 ILE 67 1HG2 ILE 67 19.269 -4.036 -0.552
548 2HG2 ILE 67 2HG2 ILE 67 19.503 -2.722 -1.731
549 3HG2 ILE 67 3HG2 ILE 67 20.725 -4.008 -1.575
550 1HD1 ILE 67 1HD1 ILE 67 20.502 -1.194 -2.486
551 2HD1 ILE 67 2HD1 ILE 67 19.620 -0.466 -1.123
552 3HD1 ILE 67 3HD1 ILE 67 21.058 0.346 -1.788
553 H LYS 68 H LYS 68 19.789 0.467 0.774
554 HA LYS 68 HA LYS 68 20.190 1.346 3.348
555 1HB LYS 68 1HB LYS 68 22.376 1.293 3.831
556 2HB LYS 68 2HB LYS 68 22.473 0.036 2.615
557 1HG LYS 68 1HG LYS 68 22.933 1.810 0.873
558 2HG LYS 68 2HG LYS 68 22.929 3.020 2.141
559 1HD LYS 68 1HD LYS 68 25.178 2.599 2.237
560 2HD LYS 68 2HD LYS 68 24.703 1.225 3.215
561 1HE LYS 68 1HE LYS 68 25.261 -0.286 1.584
562 2HE LYS 68 2HE LYS 68 24.531 0.672 0.311
563 1HZ LYS 68 1HZ LYS 68 26.485 1.985 0.134
564 2HZ LYS 68 2HZ LYS 68 27.110 1.455 1.541
565 H SER 69 H SER 69 20.793 1.692 -0.150
566 HA SER 69 HA SER 69 20.238 3.308 -1.509
567 1HB SER 69 1HB SER 69 18.474 3.809 0.504
568 2HB SER 69 2HB SER 69 19.398 5.297 0.565
569 HG SER 69 HG SER 69 18.030 5.871 -1.002
570 H ARG 70 H ARG 70 21.314 4.945 1.568
571 HA ARG 70 HA ARG 70 23.803 5.570 0.381
572 1HB ARG 70 1HB ARG 70 22.131 7.357 -0.504
573 2HB ARG 70 2HB ARG 70 22.051 7.951 1.143
574 1HG ARG 70 1HG ARG 70 24.205 8.803 1.098
575 2HG ARG 70 2HG ARG 70 24.809 7.528 0.059
576 1HD ARG 70 1HD ARG 70 22.834 9.537 -1.063
577 2HD ARG 70 2HD ARG 70 24.517 9.997 -0.888
578 HE ARG 70 HE ARG 70 23.423 8.042 -2.787
579 1HH1 ARG 70 1HH1 ARG 70 26.351 9.165 -1.138
580 2HH1 ARG 70 2HH1 ARG 70 27.424 8.494 -2.320
581 1HH2 ARG 70 1HH2 ARG 70 26.512 7.316 -4.198
582 H ARG 71 H ARG 71 21.517 6.946 2.872
583 HA ARG 71 HA ARG 71 23.605 6.385 4.824
584 1HB ARG 71 1HB ARG 71 21.528 8.629 4.760
585 2HB ARG 71 2HB ARG 71 22.521 8.288 6.164
586 1HG ARG 71 1HG ARG 71 24.528 8.452 4.410
587 2HG ARG 71 2HG ARG 71 23.363 9.354 3.461
588 1HD ARG 71 1HD ARG 71 23.094 10.440 6.050
589 2HD ARG 71 2HD ARG 71 24.818 10.171 5.890
590 HE ARG 71 HE ARG 71 24.916 11.797 4.185
591 1HH1 ARG 71 1HH1 ARG 71 21.534 11.034 4.917
592 2HH1 ARG 71 2HH1 ARG 71 20.906 12.356 3.991
593 1HH2 ARG 71 1HH2 ARG 71 22.425 13.818 2.851